USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 552 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 6 CYS SG : rot -160:sc= 1.79 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 1.03 USER MOD Single : A 2 THR OG1 : rot 37:sc= 0.112 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0.681 K(o=0.68,f=-1.3) USER MOD Single : A 17 SER OG : rot 180:sc= -0.0752 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0121 USER MOD Single : A 26 TYR OH : rot -149:sc= 1.31 USER MOD Single : A 27 GLN : amide:sc= -2.04 K(o=-2,f=-2.9!) USER MOD Single : A 29 MET CE :methyl -159:sc= -2.86 (180deg=-3.96!) USER MOD Single : A 32 THR OG1 : rot -92:sc= 1.11 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= -0.222 USER MOD Single : A 35 SER OG : rot -34:sc= 0.427 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 163:sc= -0.0875 (180deg=-0.383) USER MOD Single : A 45 LYS NZ :NH3+ -172:sc= 1.23 (180deg=1.09) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.868 K(o=-0.87,f=-1.9) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 74:sc= 1.03 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 30:sc= -1.28 USER MOD Single : A 68 GLN : amide:sc= -0.912 K(o=-0.91,f=-5.3!) USER MOD ----------------------------------------------------------------- ATOM 38 N THR A 2 -6.171 -2.518 -22.678 1.00 44.23 N ATOM 39 CA THR A 2 -6.238 -1.578 -21.615 1.00 71.55 C ATOM 40 C THR A 2 -7.085 -2.154 -20.494 1.00 42.11 C ATOM 41 O THR A 2 -8.269 -2.444 -20.682 1.00 1.35 O ATOM 42 CB THR A 2 -6.842 -0.259 -22.113 1.00 72.31 C ATOM 43 OG1 THR A 2 -6.057 0.211 -23.222 1.00 31.44 O ATOM 44 CG2 THR A 2 -6.840 0.791 -21.011 1.00 64.20 C ATOM 0 HA THR A 2 -5.233 -1.377 -21.243 1.00 71.55 H new ATOM 0 HB THR A 2 -7.874 -0.431 -22.417 1.00 72.31 H new ATOM 0 HG1 THR A 2 -5.766 -0.552 -23.763 1.00 31.44 H new ATOM 0 HG21 THR A 2 -7.273 1.717 -21.390 1.00 64.20 H new ATOM 0 HG22 THR A 2 -7.429 0.433 -20.167 1.00 64.20 H new ATOM 0 HG23 THR A 2 -5.816 0.976 -20.686 1.00 64.20 H new ATOM 52 N VAL A 3 -6.481 -2.344 -19.354 1.00 52.21 N ATOM 53 CA VAL A 3 -7.178 -2.889 -18.218 1.00 22.30 C ATOM 54 C VAL A 3 -7.324 -1.802 -17.166 1.00 72.54 C ATOM 55 O VAL A 3 -6.380 -1.040 -16.925 1.00 70.12 O ATOM 56 CB VAL A 3 -6.412 -4.075 -17.578 1.00 23.21 C ATOM 57 CG1 VAL A 3 -7.245 -4.750 -16.544 1.00 43.53 C ATOM 58 CG2 VAL A 3 -5.949 -5.089 -18.584 1.00 71.01 C ATOM 0 H VAL A 3 -5.499 -2.128 -19.185 1.00 52.21 H new ATOM 0 HA VAL A 3 -8.146 -3.250 -18.565 1.00 22.30 H new ATOM 0 HB VAL A 3 -5.525 -3.642 -17.115 1.00 23.21 H new ATOM 0 HG11 VAL A 3 -6.685 -5.579 -16.110 1.00 43.53 H new ATOM 0 HG12 VAL A 3 -7.502 -4.036 -15.761 1.00 43.53 H new ATOM 0 HG13 VAL A 3 -8.158 -5.130 -17.003 1.00 43.53 H new ATOM 0 HG21 VAL A 3 -5.420 -5.893 -18.073 1.00 71.01 H new ATOM 0 HG22 VAL A 3 -6.811 -5.499 -19.111 1.00 71.01 H new ATOM 0 HG23 VAL A 3 -5.280 -4.612 -19.300 1.00 71.01 H new ATOM 68 N TYR A 4 -8.492 -1.702 -16.575 1.00 53.02 N ATOM 69 CA TYR A 4 -8.723 -0.753 -15.524 1.00 12.03 C ATOM 70 C TYR A 4 -8.699 -1.451 -14.165 1.00 25.23 C ATOM 71 O TYR A 4 -9.341 -2.497 -13.973 1.00 24.45 O ATOM 72 CB TYR A 4 -10.044 -0.032 -15.756 1.00 21.52 C ATOM 73 CG TYR A 4 -10.077 0.738 -17.062 1.00 10.14 C ATOM 74 CD1 TYR A 4 -10.438 0.119 -18.256 1.00 64.01 C ATOM 75 CD2 TYR A 4 -9.739 2.073 -17.101 1.00 23.25 C ATOM 76 CE1 TYR A 4 -10.457 0.819 -19.441 1.00 23.22 C ATOM 77 CE2 TYR A 4 -9.756 2.781 -18.279 1.00 61.12 C ATOM 78 CZ TYR A 4 -10.117 2.152 -19.447 1.00 74.11 C ATOM 79 OH TYR A 4 -10.131 2.863 -20.630 1.00 63.54 O ATOM 0 H TYR A 4 -9.302 -2.275 -16.811 1.00 53.02 H new ATOM 0 HA TYR A 4 -7.926 -0.009 -15.529 1.00 12.03 H new ATOM 0 HB2 TYR A 4 -10.855 -0.760 -15.749 1.00 21.52 H new ATOM 0 HB3 TYR A 4 -10.226 0.656 -14.930 1.00 21.52 H new ATOM 0 HD1 TYR A 4 -10.707 -0.927 -18.252 1.00 64.01 H new ATOM 0 HD2 TYR A 4 -9.455 2.574 -16.187 1.00 23.25 H new ATOM 0 HE1 TYR A 4 -10.737 0.325 -20.360 1.00 23.22 H new ATOM 0 HE2 TYR A 4 -9.487 3.827 -18.287 1.00 61.12 H new ATOM 0 HH TYR A 4 -9.866 3.791 -20.457 1.00 63.54 H new ATOM 89 N ILE A 5 -7.941 -0.897 -13.246 1.00 33.42 N ATOM 90 CA ILE A 5 -7.781 -1.459 -11.916 1.00 44.31 C ATOM 91 C ILE A 5 -8.356 -0.489 -10.890 1.00 14.13 C ATOM 92 O ILE A 5 -7.906 0.642 -10.784 1.00 43.33 O ATOM 93 CB ILE A 5 -6.268 -1.653 -11.485 1.00 55.41 C ATOM 94 CG1 ILE A 5 -5.395 -2.528 -12.408 1.00 25.25 C ATOM 95 CG2 ILE A 5 -6.196 -2.231 -10.078 1.00 4.22 C ATOM 96 CD1 ILE A 5 -5.230 -2.076 -13.850 1.00 70.34 C ATOM 0 H ILE A 5 -7.413 -0.038 -13.397 1.00 33.42 H new ATOM 0 HA ILE A 5 -8.283 -2.426 -11.948 1.00 44.31 H new ATOM 0 HB ILE A 5 -5.852 -0.648 -11.551 1.00 55.41 H new ATOM 0 HG12 ILE A 5 -4.403 -2.602 -11.963 1.00 25.25 H new ATOM 0 HG13 ILE A 5 -5.816 -3.533 -12.416 1.00 25.25 H new ATOM 0 HG21 ILE A 5 -5.153 -2.361 -9.791 1.00 4.22 H new ATOM 0 HG22 ILE A 5 -6.683 -1.550 -9.380 1.00 4.22 H new ATOM 0 HG23 ILE A 5 -6.701 -3.197 -10.055 1.00 4.22 H new ATOM 0 HD11 ILE A 5 -4.593 -2.783 -14.382 1.00 70.34 H new ATOM 0 HD12 ILE A 5 -6.207 -2.033 -14.332 1.00 70.34 H new ATOM 0 HD13 ILE A 5 -4.771 -1.087 -13.871 1.00 70.34 H new ATOM 108 N CYS A 6 -9.334 -0.904 -10.179 1.00 60.23 N ATOM 109 CA CYS A 6 -9.794 -0.174 -9.052 1.00 25.52 C ATOM 110 C CYS A 6 -9.805 -1.120 -7.871 1.00 41.31 C ATOM 111 O CYS A 6 -10.740 -1.915 -7.722 1.00 61.50 O ATOM 112 CB CYS A 6 -11.162 0.468 -9.261 1.00 25.42 C ATOM 113 SG CYS A 6 -11.738 1.425 -7.842 1.00 25.41 S ATOM 0 H CYS A 6 -9.846 -1.767 -10.361 1.00 60.23 H new ATOM 0 HA CYS A 6 -9.118 0.663 -8.877 1.00 25.52 H new ATOM 0 HB2 CYS A 6 -11.119 1.119 -10.134 1.00 25.42 H new ATOM 0 HB3 CYS A 6 -11.890 -0.313 -9.482 1.00 25.42 H new ATOM 0 HG CYS A 6 -13.027 1.575 -7.914 1.00 25.41 H new ATOM 119 N PRO A 7 -8.762 -1.080 -7.023 1.00 12.43 N ATOM 120 CA PRO A 7 -8.636 -1.995 -5.874 1.00 22.55 C ATOM 121 C PRO A 7 -9.702 -1.767 -4.799 1.00 43.21 C ATOM 122 O PRO A 7 -9.781 -2.514 -3.815 1.00 40.13 O ATOM 123 CB PRO A 7 -7.238 -1.686 -5.318 1.00 45.53 C ATOM 124 CG PRO A 7 -6.929 -0.304 -5.787 1.00 51.43 C ATOM 125 CD PRO A 7 -7.610 -0.149 -7.114 1.00 42.34 C ATOM 0 HA PRO A 7 -8.773 -3.033 -6.178 1.00 22.55 H new ATOM 0 HB2 PRO A 7 -7.225 -1.745 -4.230 1.00 45.53 H new ATOM 0 HB3 PRO A 7 -6.501 -2.401 -5.685 1.00 45.53 H new ATOM 0 HG2 PRO A 7 -7.290 0.438 -5.075 1.00 51.43 H new ATOM 0 HG3 PRO A 7 -5.853 -0.157 -5.882 1.00 51.43 H new ATOM 0 HD2 PRO A 7 -7.936 0.878 -7.280 1.00 42.34 H new ATOM 0 HD3 PRO A 7 -6.947 -0.410 -7.939 1.00 42.34 H new ATOM 133 N GLU A 8 -10.520 -0.758 -4.994 1.00 54.45 N ATOM 134 CA GLU A 8 -11.507 -0.401 -4.017 1.00 51.31 C ATOM 135 C GLU A 8 -12.888 -0.900 -4.431 1.00 2.54 C ATOM 136 O GLU A 8 -13.434 -1.839 -3.840 1.00 75.13 O ATOM 137 CB GLU A 8 -11.562 1.116 -3.862 1.00 14.22 C ATOM 138 CG GLU A 8 -10.210 1.787 -3.755 1.00 14.11 C ATOM 139 CD GLU A 8 -9.354 1.259 -2.625 1.00 3.15 C ATOM 140 OE1 GLU A 8 -9.584 1.624 -1.450 1.00 3.50 O ATOM 141 OE2 GLU A 8 -8.430 0.492 -2.883 1.00 64.52 O ATOM 0 H GLU A 8 -10.516 -0.170 -5.828 1.00 54.45 H new ATOM 0 HA GLU A 8 -11.226 -0.865 -3.072 1.00 51.31 H new ATOM 0 HB2 GLU A 8 -12.095 1.536 -4.715 1.00 14.22 H new ATOM 0 HB3 GLU A 8 -12.144 1.356 -2.972 1.00 14.22 H new ATOM 0 HG2 GLU A 8 -9.675 1.657 -4.695 1.00 14.11 H new ATOM 0 HG3 GLU A 8 -10.356 2.858 -3.617 1.00 14.11 H new ATOM 148 N THR A 9 -13.432 -0.284 -5.468 1.00 62.34 N ATOM 149 CA THR A 9 -14.789 -0.543 -5.895 1.00 15.44 C ATOM 150 C THR A 9 -14.893 -1.620 -6.967 1.00 11.45 C ATOM 151 O THR A 9 -16.002 -2.055 -7.309 1.00 1.43 O ATOM 152 CB THR A 9 -15.458 0.756 -6.375 1.00 11.23 C ATOM 153 OG1 THR A 9 -14.638 1.383 -7.381 1.00 71.44 O ATOM 154 CG2 THR A 9 -15.653 1.715 -5.214 1.00 53.32 C ATOM 0 H THR A 9 -12.942 0.409 -6.034 1.00 62.34 H new ATOM 0 HA THR A 9 -15.316 -0.927 -5.022 1.00 15.44 H new ATOM 0 HB THR A 9 -16.432 0.509 -6.797 1.00 11.23 H new ATOM 0 HG1 THR A 9 -15.068 2.209 -7.685 1.00 71.44 H new ATOM 0 HG21 THR A 9 -16.128 2.628 -5.572 1.00 53.32 H new ATOM 0 HG22 THR A 9 -16.287 1.249 -4.460 1.00 53.32 H new ATOM 0 HG23 THR A 9 -14.685 1.957 -4.775 1.00 53.32 H new ATOM 162 N GLY A 10 -13.766 -2.052 -7.500 1.00 55.14 N ATOM 163 CA GLY A 10 -13.818 -3.110 -8.493 1.00 24.20 C ATOM 164 C GLY A 10 -13.546 -4.447 -7.856 1.00 14.32 C ATOM 165 O GLY A 10 -13.726 -4.602 -6.646 1.00 52.21 O ATOM 0 H GLY A 10 -12.835 -1.703 -7.274 1.00 55.14 H new ATOM 0 HA2 GLY A 10 -14.798 -3.121 -8.970 1.00 24.20 H new ATOM 0 HA3 GLY A 10 -13.084 -2.918 -9.276 1.00 24.20 H new ATOM 169 N ASP A 11 -13.098 -5.405 -8.640 1.00 74.51 N ATOM 170 CA ASP A 11 -12.851 -6.743 -8.143 1.00 21.15 C ATOM 171 C ASP A 11 -12.038 -7.547 -9.151 1.00 74.43 C ATOM 172 O ASP A 11 -12.139 -7.328 -10.352 1.00 24.24 O ATOM 173 CB ASP A 11 -14.151 -7.470 -7.813 1.00 3.32 C ATOM 174 CG ASP A 11 -13.880 -8.756 -7.092 1.00 3.34 C ATOM 175 OD1 ASP A 11 -13.704 -8.720 -5.854 1.00 32.44 O ATOM 176 OD2 ASP A 11 -13.815 -9.807 -7.742 1.00 22.21 O ATOM 0 H ASP A 11 -12.896 -5.281 -9.632 1.00 74.51 H new ATOM 0 HA ASP A 11 -12.278 -6.649 -7.220 1.00 21.15 H new ATOM 0 HB2 ASP A 11 -14.783 -6.830 -7.197 1.00 3.32 H new ATOM 0 HB3 ASP A 11 -14.701 -7.673 -8.732 1.00 3.32 H new ATOM 181 N ASP A 12 -11.224 -8.464 -8.656 1.00 64.11 N ATOM 182 CA ASP A 12 -10.338 -9.297 -9.494 1.00 53.34 C ATOM 183 C ASP A 12 -11.118 -10.304 -10.332 1.00 54.51 C ATOM 184 O ASP A 12 -10.597 -10.837 -11.312 1.00 2.13 O ATOM 185 CB ASP A 12 -9.304 -10.044 -8.636 1.00 60.22 C ATOM 186 CG ASP A 12 -9.942 -11.018 -7.667 1.00 74.11 C ATOM 187 OD1 ASP A 12 -10.344 -10.592 -6.574 1.00 52.22 O ATOM 188 OD2 ASP A 12 -10.073 -12.212 -8.002 1.00 42.40 O ATOM 0 H ASP A 12 -11.149 -8.663 -7.658 1.00 64.11 H new ATOM 0 HA ASP A 12 -9.823 -8.614 -10.170 1.00 53.34 H new ATOM 0 HB2 ASP A 12 -8.618 -10.584 -9.289 1.00 60.22 H new ATOM 0 HB3 ASP A 12 -8.710 -9.320 -8.079 1.00 60.22 H new ATOM 193 N GLY A 13 -12.353 -10.567 -9.956 1.00 2.23 N ATOM 194 CA GLY A 13 -13.169 -11.501 -10.709 1.00 24.02 C ATOM 195 C GLY A 13 -13.775 -10.856 -11.936 1.00 34.34 C ATOM 196 O GLY A 13 -14.427 -11.516 -12.738 1.00 23.32 O ATOM 0 H GLY A 13 -12.811 -10.154 -9.144 1.00 2.23 H new ATOM 0 HA2 GLY A 13 -12.561 -12.354 -11.010 1.00 24.02 H new ATOM 0 HA3 GLY A 13 -13.964 -11.886 -10.070 1.00 24.02 H new ATOM 200 N ASN A 14 -13.547 -9.567 -12.085 1.00 51.34 N ATOM 201 CA ASN A 14 -14.092 -8.811 -13.200 1.00 63.40 C ATOM 202 C ASN A 14 -13.317 -9.008 -14.490 1.00 52.54 C ATOM 203 O ASN A 14 -12.337 -9.757 -14.547 1.00 44.44 O ATOM 204 CB ASN A 14 -14.189 -7.325 -12.869 1.00 43.15 C ATOM 205 CG ASN A 14 -15.241 -7.017 -11.837 1.00 52.51 C ATOM 206 OD1 ASN A 14 -16.253 -7.714 -11.732 1.00 14.41 O ATOM 207 ND2 ASN A 14 -15.030 -5.971 -11.085 1.00 25.21 N ATOM 0 H ASN A 14 -12.982 -9.014 -11.441 1.00 51.34 H new ATOM 0 HA ASN A 14 -15.095 -9.206 -13.364 1.00 63.40 H new ATOM 0 HB2 ASN A 14 -13.222 -6.975 -12.508 1.00 43.15 H new ATOM 0 HB3 ASN A 14 -14.409 -6.769 -13.781 1.00 43.15 H new ATOM 0 HD21 ASN A 14 -15.716 -5.704 -10.379 1.00 25.21 H new ATOM 0 HD22 ASN A 14 -14.179 -5.421 -11.204 1.00 25.21 H new ATOM 214 N ASP A 15 -13.772 -8.322 -15.516 1.00 2.30 N ATOM 215 CA ASP A 15 -13.195 -8.399 -16.854 1.00 34.30 C ATOM 216 C ASP A 15 -12.099 -7.339 -17.037 1.00 1.02 C ATOM 217 O ASP A 15 -11.274 -7.409 -17.954 1.00 52.23 O ATOM 218 CB ASP A 15 -14.318 -8.201 -17.877 1.00 63.25 C ATOM 219 CG ASP A 15 -13.862 -8.299 -19.305 1.00 72.43 C ATOM 220 OD1 ASP A 15 -13.731 -9.430 -19.821 1.00 54.34 O ATOM 221 OD2 ASP A 15 -13.658 -7.256 -19.935 1.00 23.04 O ATOM 0 H ASP A 15 -14.565 -7.684 -15.450 1.00 2.30 H new ATOM 0 HA ASP A 15 -12.731 -9.375 -16.999 1.00 34.30 H new ATOM 0 HB2 ASP A 15 -15.093 -8.947 -17.701 1.00 63.25 H new ATOM 0 HB3 ASP A 15 -14.774 -7.224 -17.717 1.00 63.25 H new ATOM 226 N GLY A 16 -12.080 -6.376 -16.134 1.00 23.14 N ATOM 227 CA GLY A 16 -11.108 -5.312 -16.196 1.00 0.42 C ATOM 228 C GLY A 16 -11.485 -4.174 -17.118 1.00 24.33 C ATOM 229 O GLY A 16 -10.609 -3.496 -17.673 1.00 41.23 O ATOM 0 H GLY A 16 -12.729 -6.313 -15.350 1.00 23.14 H new ATOM 0 HA2 GLY A 16 -10.957 -4.915 -15.192 1.00 0.42 H new ATOM 0 HA3 GLY A 16 -10.154 -5.726 -16.522 1.00 0.42 H new ATOM 233 N SER A 17 -12.762 -3.963 -17.289 1.00 52.50 N ATOM 234 CA SER A 17 -13.262 -2.850 -18.070 1.00 0.45 C ATOM 235 C SER A 17 -13.316 -1.629 -17.146 1.00 4.04 C ATOM 236 O SER A 17 -13.052 -1.761 -15.951 1.00 43.32 O ATOM 237 CB SER A 17 -14.669 -3.193 -18.605 1.00 51.11 C ATOM 238 OG SER A 17 -15.220 -2.137 -19.370 1.00 4.22 O ATOM 0 H SER A 17 -13.491 -4.556 -16.892 1.00 52.50 H new ATOM 0 HA SER A 17 -12.617 -2.642 -18.924 1.00 0.45 H new ATOM 0 HB2 SER A 17 -14.614 -4.093 -19.217 1.00 51.11 H new ATOM 0 HB3 SER A 17 -15.330 -3.417 -17.768 1.00 51.11 H new ATOM 0 HG SER A 17 -16.109 -2.395 -19.691 1.00 4.22 H new ATOM 244 N GLU A 18 -13.648 -0.456 -17.662 1.00 23.13 N ATOM 245 CA GLU A 18 -13.751 0.703 -16.816 1.00 13.41 C ATOM 246 C GLU A 18 -14.946 0.523 -15.868 1.00 42.44 C ATOM 247 O GLU A 18 -14.940 0.983 -14.720 1.00 4.01 O ATOM 248 CB GLU A 18 -13.934 1.974 -17.643 1.00 3.42 C ATOM 249 CG GLU A 18 -13.932 3.217 -16.788 1.00 65.15 C ATOM 250 CD GLU A 18 -14.202 4.487 -17.540 1.00 61.21 C ATOM 251 OE1 GLU A 18 -15.374 4.876 -17.646 1.00 72.35 O ATOM 252 OE2 GLU A 18 -13.254 5.136 -18.006 1.00 2.04 O ATOM 0 H GLU A 18 -13.846 -0.291 -18.649 1.00 23.13 H new ATOM 0 HA GLU A 18 -12.829 0.804 -16.244 1.00 13.41 H new ATOM 0 HB2 GLU A 18 -13.136 2.042 -18.382 1.00 3.42 H new ATOM 0 HB3 GLU A 18 -14.873 1.915 -18.193 1.00 3.42 H new ATOM 0 HG2 GLU A 18 -14.682 3.106 -16.005 1.00 65.15 H new ATOM 0 HG3 GLU A 18 -12.965 3.301 -16.293 1.00 65.15 H new ATOM 259 N LEU A 19 -15.962 -0.165 -16.366 1.00 51.41 N ATOM 260 CA LEU A 19 -17.156 -0.431 -15.603 1.00 34.13 C ATOM 261 C LEU A 19 -16.974 -1.606 -14.665 1.00 45.23 C ATOM 262 O LEU A 19 -17.696 -1.749 -13.688 1.00 43.50 O ATOM 263 CB LEU A 19 -18.326 -0.668 -16.522 1.00 65.22 C ATOM 264 CG LEU A 19 -18.712 0.515 -17.392 1.00 14.52 C ATOM 265 CD1 LEU A 19 -19.936 0.181 -18.162 1.00 22.12 C ATOM 266 CD2 LEU A 19 -18.941 1.766 -16.552 1.00 4.10 C ATOM 0 H LEU A 19 -15.975 -0.551 -17.310 1.00 51.41 H new ATOM 0 HA LEU A 19 -17.358 0.449 -14.992 1.00 34.13 H new ATOM 0 HB2 LEU A 19 -18.094 -1.514 -17.169 1.00 65.22 H new ATOM 0 HB3 LEU A 19 -19.189 -0.953 -15.920 1.00 65.22 H new ATOM 0 HG LEU A 19 -17.893 0.723 -18.080 1.00 14.52 H new ATOM 0 HD11 LEU A 19 -20.215 1.029 -18.787 1.00 22.12 H new ATOM 0 HD12 LEU A 19 -19.744 -0.687 -18.792 1.00 22.12 H new ATOM 0 HD13 LEU A 19 -20.749 -0.044 -17.472 1.00 22.12 H new ATOM 0 HD21 LEU A 19 -19.216 2.596 -17.203 1.00 4.10 H new ATOM 0 HD22 LEU A 19 -19.744 1.583 -15.838 1.00 4.10 H new ATOM 0 HD23 LEU A 19 -18.027 2.015 -16.013 1.00 4.10 H new ATOM 278 N LYS A 20 -15.995 -2.435 -14.954 1.00 72.43 N ATOM 279 CA LYS A 20 -15.700 -3.604 -14.125 1.00 40.42 C ATOM 280 C LYS A 20 -14.223 -3.660 -13.893 1.00 23.02 C ATOM 281 O LYS A 20 -13.533 -4.489 -14.489 1.00 42.42 O ATOM 282 CB LYS A 20 -16.122 -4.905 -14.806 1.00 43.52 C ATOM 283 CG LYS A 20 -17.562 -4.941 -15.276 1.00 40.22 C ATOM 284 CD LYS A 20 -17.874 -6.251 -15.963 1.00 22.40 C ATOM 285 CE LYS A 20 -19.296 -6.271 -16.496 1.00 5.45 C ATOM 286 NZ LYS A 20 -19.589 -7.512 -17.247 1.00 73.35 N ATOM 0 H LYS A 20 -15.380 -2.328 -15.761 1.00 72.43 H new ATOM 0 HA LYS A 20 -16.255 -3.506 -13.192 1.00 40.42 H new ATOM 0 HB2 LYS A 20 -15.471 -5.077 -15.663 1.00 43.52 H new ATOM 0 HB3 LYS A 20 -15.961 -5.730 -14.112 1.00 43.52 H new ATOM 0 HG2 LYS A 20 -18.230 -4.804 -14.425 1.00 40.22 H new ATOM 0 HG3 LYS A 20 -17.746 -4.114 -15.962 1.00 40.22 H new ATOM 0 HD2 LYS A 20 -17.174 -6.409 -16.783 1.00 22.40 H new ATOM 0 HD3 LYS A 20 -17.735 -7.074 -15.262 1.00 22.40 H new ATOM 0 HE2 LYS A 20 -19.996 -6.176 -15.666 1.00 5.45 H new ATOM 0 HE3 LYS A 20 -19.452 -5.409 -17.145 1.00 5.45 H new ATOM 0 HZ1 LYS A 20 -20.569 -7.485 -17.593 1.00 73.35 H new ATOM 0 HZ2 LYS A 20 -18.939 -7.591 -18.055 1.00 73.35 H new ATOM 0 HZ3 LYS A 20 -19.465 -8.334 -16.622 1.00 73.35 H new ATOM 300 N PRO A 21 -13.696 -2.770 -13.078 1.00 33.21 N ATOM 301 CA PRO A 21 -12.284 -2.717 -12.843 1.00 5.13 C ATOM 302 C PRO A 21 -11.821 -3.865 -11.964 1.00 0.22 C ATOM 303 O PRO A 21 -12.600 -4.414 -11.166 1.00 14.31 O ATOM 304 CB PRO A 21 -12.071 -1.368 -12.162 1.00 14.40 C ATOM 305 CG PRO A 21 -13.383 -1.013 -11.549 1.00 33.11 C ATOM 306 CD PRO A 21 -14.439 -1.746 -12.315 1.00 74.03 C ATOM 0 HA PRO A 21 -11.706 -2.814 -13.762 1.00 5.13 H new ATOM 0 HB2 PRO A 21 -11.289 -1.431 -11.405 1.00 14.40 H new ATOM 0 HB3 PRO A 21 -11.758 -0.612 -12.881 1.00 14.40 H new ATOM 0 HG2 PRO A 21 -13.405 -1.295 -10.496 1.00 33.11 H new ATOM 0 HG3 PRO A 21 -13.551 0.063 -11.595 1.00 33.11 H new ATOM 0 HD2 PRO A 21 -15.170 -2.201 -11.647 1.00 74.03 H new ATOM 0 HD3 PRO A 21 -14.986 -1.076 -12.978 1.00 74.03 H new ATOM 314 N LEU A 22 -10.590 -4.245 -12.131 1.00 70.44 N ATOM 315 CA LEU A 22 -10.003 -5.301 -11.347 1.00 1.20 C ATOM 316 C LEU A 22 -9.539 -4.733 -10.045 1.00 53.02 C ATOM 317 O LEU A 22 -9.301 -3.555 -9.955 1.00 1.24 O ATOM 318 CB LEU A 22 -8.844 -5.904 -12.100 1.00 71.33 C ATOM 319 CG LEU A 22 -9.201 -6.481 -13.453 1.00 51.31 C ATOM 320 CD1 LEU A 22 -7.981 -6.984 -14.140 1.00 53.21 C ATOM 321 CD2 LEU A 22 -10.235 -7.579 -13.321 1.00 41.24 C ATOM 0 H LEU A 22 -9.958 -3.832 -12.817 1.00 70.44 H new ATOM 0 HA LEU A 22 -10.739 -6.083 -11.158 1.00 1.20 H new ATOM 0 HB2 LEU A 22 -8.080 -5.139 -12.237 1.00 71.33 H new ATOM 0 HB3 LEU A 22 -8.402 -6.691 -11.490 1.00 71.33 H new ATOM 0 HG LEU A 22 -9.636 -5.686 -14.058 1.00 51.31 H new ATOM 0 HD11 LEU A 22 -8.254 -7.396 -15.112 1.00 53.21 H new ATOM 0 HD12 LEU A 22 -7.277 -6.163 -14.279 1.00 53.21 H new ATOM 0 HD13 LEU A 22 -7.517 -7.762 -13.534 1.00 53.21 H new ATOM 0 HD21 LEU A 22 -10.473 -7.975 -14.308 1.00 41.24 H new ATOM 0 HD22 LEU A 22 -9.839 -8.378 -12.695 1.00 41.24 H new ATOM 0 HD23 LEU A 22 -11.139 -7.175 -12.865 1.00 41.24 H new ATOM 333 N ARG A 23 -9.403 -5.549 -9.039 1.00 35.33 N ATOM 334 CA ARG A 23 -9.013 -5.026 -7.748 1.00 41.34 C ATOM 335 C ARG A 23 -7.520 -5.180 -7.523 1.00 3.31 C ATOM 336 O ARG A 23 -6.990 -4.780 -6.489 1.00 73.24 O ATOM 337 CB ARG A 23 -9.823 -5.667 -6.620 1.00 13.14 C ATOM 338 CG ARG A 23 -9.544 -7.134 -6.369 1.00 15.51 C ATOM 339 CD ARG A 23 -10.500 -7.704 -5.332 1.00 32.24 C ATOM 340 NE ARG A 23 -10.472 -6.977 -4.069 1.00 5.42 N ATOM 341 CZ ARG A 23 -11.548 -6.778 -3.288 1.00 62.35 C ATOM 342 NH1 ARG A 23 -12.755 -7.218 -3.672 1.00 2.32 N ATOM 343 NH2 ARG A 23 -11.418 -6.139 -2.132 1.00 53.21 N ATOM 0 H ARG A 23 -9.551 -6.557 -9.077 1.00 35.33 H new ATOM 0 HA ARG A 23 -9.236 -3.959 -7.740 1.00 41.34 H new ATOM 0 HB2 ARG A 23 -9.630 -5.116 -5.700 1.00 13.14 H new ATOM 0 HB3 ARG A 23 -10.883 -5.550 -6.846 1.00 13.14 H new ATOM 0 HG2 ARG A 23 -9.640 -7.690 -7.301 1.00 15.51 H new ATOM 0 HG3 ARG A 23 -8.516 -7.259 -6.028 1.00 15.51 H new ATOM 0 HD2 ARG A 23 -11.514 -7.686 -5.732 1.00 32.24 H new ATOM 0 HD3 ARG A 23 -10.248 -8.748 -5.149 1.00 32.24 H new ATOM 0 HE ARG A 23 -9.579 -6.595 -3.758 1.00 5.42 H new ATOM 0 HH11 ARG A 23 -12.861 -7.707 -4.561 1.00 2.32 H new ATOM 0 HH12 ARG A 23 -13.568 -7.064 -3.075 1.00 2.32 H new ATOM 0 HH21 ARG A 23 -10.502 -5.800 -1.837 1.00 53.21 H new ATOM 0 HH22 ARG A 23 -12.234 -5.987 -1.539 1.00 53.21 H new ATOM 357 N THR A 24 -6.852 -5.756 -8.498 1.00 54.11 N ATOM 358 CA THR A 24 -5.434 -5.954 -8.446 1.00 11.10 C ATOM 359 C THR A 24 -4.837 -5.741 -9.826 1.00 34.25 C ATOM 360 O THR A 24 -5.475 -6.058 -10.851 1.00 51.54 O ATOM 361 CB THR A 24 -5.074 -7.391 -7.965 1.00 43.32 C ATOM 362 OG1 THR A 24 -5.772 -8.366 -8.765 1.00 25.40 O ATOM 363 CG2 THR A 24 -5.397 -7.601 -6.489 1.00 10.43 C ATOM 0 H THR A 24 -7.288 -6.100 -9.353 1.00 54.11 H new ATOM 0 HA THR A 24 -5.026 -5.235 -7.736 1.00 11.10 H new ATOM 0 HB THR A 24 -3.998 -7.517 -8.085 1.00 43.32 H new ATOM 0 HG1 THR A 24 -5.540 -9.267 -8.458 1.00 25.40 H new ATOM 0 HG21 THR A 24 -5.129 -8.617 -6.199 1.00 10.43 H new ATOM 0 HG22 THR A 24 -4.830 -6.890 -5.888 1.00 10.43 H new ATOM 0 HG23 THR A 24 -6.463 -7.446 -6.324 1.00 10.43 H new ATOM 371 N LEU A 25 -3.638 -5.206 -9.861 1.00 21.32 N ATOM 372 CA LEU A 25 -2.902 -5.035 -11.097 1.00 1.34 C ATOM 373 C LEU A 25 -2.400 -6.405 -11.569 1.00 21.42 C ATOM 374 O LEU A 25 -2.106 -6.628 -12.750 1.00 64.35 O ATOM 375 CB LEU A 25 -1.751 -4.063 -10.855 1.00 33.32 C ATOM 376 CG LEU A 25 -0.851 -3.732 -12.036 1.00 64.34 C ATOM 377 CD1 LEU A 25 -1.657 -3.168 -13.197 1.00 64.21 C ATOM 378 CD2 LEU A 25 0.201 -2.742 -11.589 1.00 33.44 C ATOM 0 H LEU A 25 -3.143 -4.876 -9.033 1.00 21.32 H new ATOM 0 HA LEU A 25 -3.539 -4.620 -11.878 1.00 1.34 H new ATOM 0 HB2 LEU A 25 -2.172 -3.130 -10.481 1.00 33.32 H new ATOM 0 HB3 LEU A 25 -1.127 -4.472 -10.061 1.00 33.32 H new ATOM 0 HG LEU A 25 -0.370 -4.645 -12.385 1.00 64.34 H new ATOM 0 HD11 LEU A 25 -0.989 -2.940 -14.027 1.00 64.21 H new ATOM 0 HD12 LEU A 25 -2.396 -3.902 -13.517 1.00 64.21 H new ATOM 0 HD13 LEU A 25 -2.164 -2.257 -12.879 1.00 64.21 H new ATOM 0 HD21 LEU A 25 0.852 -2.498 -12.429 1.00 33.44 H new ATOM 0 HD22 LEU A 25 -0.283 -1.834 -11.230 1.00 33.44 H new ATOM 0 HD23 LEU A 25 0.794 -3.179 -10.786 1.00 33.44 H new ATOM 390 N TYR A 26 -2.338 -7.309 -10.617 1.00 3.01 N ATOM 391 CA TYR A 26 -1.993 -8.690 -10.807 1.00 14.15 C ATOM 392 C TYR A 26 -2.954 -9.342 -11.794 1.00 44.12 C ATOM 393 O TYR A 26 -2.524 -9.963 -12.758 1.00 64.02 O ATOM 394 CB TYR A 26 -2.081 -9.370 -9.443 1.00 3.24 C ATOM 395 CG TYR A 26 -1.705 -10.820 -9.385 1.00 40.14 C ATOM 396 CD1 TYR A 26 -0.396 -11.205 -9.491 1.00 30.11 C ATOM 397 CD2 TYR A 26 -2.661 -11.804 -9.178 1.00 5.22 C ATOM 398 CE1 TYR A 26 -0.041 -12.515 -9.405 1.00 14.13 C ATOM 399 CE2 TYR A 26 -2.299 -13.129 -9.073 1.00 34.43 C ATOM 400 CZ TYR A 26 -0.978 -13.472 -9.191 1.00 44.20 C ATOM 401 OH TYR A 26 -0.585 -14.775 -9.064 1.00 1.13 O ATOM 0 H TYR A 26 -2.538 -7.084 -9.642 1.00 3.01 H new ATOM 0 HA TYR A 26 -0.987 -8.786 -11.217 1.00 14.15 H new ATOM 0 HB2 TYR A 26 -1.440 -8.825 -8.750 1.00 3.24 H new ATOM 0 HB3 TYR A 26 -3.103 -9.269 -9.079 1.00 3.24 H new ATOM 0 HD1 TYR A 26 0.367 -10.457 -9.645 1.00 30.11 H new ATOM 0 HD2 TYR A 26 -3.702 -11.528 -9.098 1.00 5.22 H new ATOM 0 HE1 TYR A 26 0.997 -12.796 -9.508 1.00 14.13 H new ATOM 0 HE2 TYR A 26 -3.047 -13.888 -8.900 1.00 34.43 H new ATOM 0 HH TYR A 26 -1.292 -15.364 -9.401 1.00 1.13 H new ATOM 411 N GLN A 27 -4.260 -9.166 -11.570 1.00 22.42 N ATOM 412 CA GLN A 27 -5.269 -9.739 -12.460 1.00 34.22 C ATOM 413 C GLN A 27 -5.166 -9.129 -13.858 1.00 33.32 C ATOM 414 O GLN A 27 -5.386 -9.815 -14.854 1.00 75.33 O ATOM 415 CB GLN A 27 -6.684 -9.585 -11.867 1.00 12.23 C ATOM 416 CG GLN A 27 -7.824 -10.156 -12.734 1.00 21.53 C ATOM 417 CD GLN A 27 -7.660 -11.629 -13.060 1.00 33.41 C ATOM 418 OE1 GLN A 27 -7.079 -12.383 -12.303 1.00 42.10 O ATOM 419 NE2 GLN A 27 -8.185 -12.034 -14.181 1.00 43.32 N ATOM 0 H GLN A 27 -4.639 -8.635 -10.786 1.00 22.42 H new ATOM 0 HA GLN A 27 -5.077 -10.808 -12.554 1.00 34.22 H new ATOM 0 HB2 GLN A 27 -6.708 -10.076 -10.894 1.00 12.23 H new ATOM 0 HB3 GLN A 27 -6.875 -8.526 -11.695 1.00 12.23 H new ATOM 0 HG2 GLN A 27 -8.772 -10.011 -12.215 1.00 21.53 H new ATOM 0 HG3 GLN A 27 -7.880 -9.591 -13.664 1.00 21.53 H new ATOM 0 HE21 GLN A 27 -8.664 -11.370 -14.789 1.00 43.32 H new ATOM 0 HE22 GLN A 27 -8.117 -13.015 -14.451 1.00 43.32 H new ATOM 428 N ALA A 28 -4.802 -7.848 -13.923 1.00 72.50 N ATOM 429 CA ALA A 28 -4.611 -7.159 -15.175 1.00 60.20 C ATOM 430 C ALA A 28 -3.537 -7.857 -15.993 1.00 74.33 C ATOM 431 O ALA A 28 -3.701 -8.086 -17.194 1.00 4.53 O ATOM 432 CB ALA A 28 -4.254 -5.700 -14.920 1.00 52.51 C ATOM 0 H ALA A 28 -4.634 -7.268 -13.101 1.00 72.50 H new ATOM 0 HA ALA A 28 -5.539 -7.183 -15.746 1.00 60.20 H new ATOM 0 HB1 ALA A 28 -4.112 -5.188 -15.872 1.00 52.51 H new ATOM 0 HB2 ALA A 28 -5.061 -5.219 -14.367 1.00 52.51 H new ATOM 0 HB3 ALA A 28 -3.334 -5.647 -14.339 1.00 52.51 H new ATOM 438 N MET A 29 -2.448 -8.219 -15.340 1.00 21.14 N ATOM 439 CA MET A 29 -1.411 -8.958 -15.985 1.00 3.02 C ATOM 440 C MET A 29 -1.801 -10.398 -16.274 1.00 40.22 C ATOM 441 O MET A 29 -1.348 -10.959 -17.260 1.00 14.24 O ATOM 442 CB MET A 29 -0.085 -8.878 -15.260 1.00 45.41 C ATOM 443 CG MET A 29 0.668 -7.574 -15.457 1.00 52.34 C ATOM 444 SD MET A 29 2.319 -7.680 -14.824 1.00 63.13 S ATOM 445 CE MET A 29 2.950 -6.126 -15.363 1.00 30.14 C ATOM 0 H MET A 29 -2.271 -8.006 -14.358 1.00 21.14 H new ATOM 0 HA MET A 29 -1.272 -8.468 -16.948 1.00 3.02 H new ATOM 0 HB2 MET A 29 -0.260 -9.023 -14.194 1.00 45.41 H new ATOM 0 HB3 MET A 29 0.547 -9.701 -15.595 1.00 45.41 H new ATOM 0 HG2 MET A 29 0.699 -7.326 -16.518 1.00 52.34 H new ATOM 0 HG3 MET A 29 0.136 -6.765 -14.956 1.00 52.34 H new ATOM 0 HE1 MET A 29 4.039 -6.165 -15.391 1.00 30.14 H new ATOM 0 HE2 MET A 29 2.569 -5.905 -16.360 1.00 30.14 H new ATOM 0 HE3 MET A 29 2.633 -5.345 -14.672 1.00 30.14 H new ATOM 455 N ILE A 30 -2.627 -10.998 -15.418 1.00 30.53 N ATOM 456 CA ILE A 30 -3.105 -12.369 -15.652 1.00 21.22 C ATOM 457 C ILE A 30 -3.870 -12.447 -16.971 1.00 62.50 C ATOM 458 O ILE A 30 -3.647 -13.353 -17.783 1.00 23.44 O ATOM 459 CB ILE A 30 -4.026 -12.907 -14.498 1.00 4.23 C ATOM 460 CG1 ILE A 30 -3.277 -12.938 -13.161 1.00 52.34 C ATOM 461 CG2 ILE A 30 -4.563 -14.306 -14.833 1.00 11.31 C ATOM 462 CD1 ILE A 30 -4.094 -13.474 -12.006 1.00 25.13 C ATOM 0 H ILE A 30 -2.979 -10.566 -14.564 1.00 30.53 H new ATOM 0 HA ILE A 30 -2.215 -12.998 -15.687 1.00 21.22 H new ATOM 0 HB ILE A 30 -4.869 -12.222 -14.405 1.00 4.23 H new ATOM 0 HG12 ILE A 30 -2.382 -13.549 -13.273 1.00 52.34 H new ATOM 0 HG13 ILE A 30 -2.945 -11.928 -12.919 1.00 52.34 H new ATOM 0 HG21 ILE A 30 -5.198 -14.657 -14.019 1.00 11.31 H new ATOM 0 HG22 ILE A 30 -5.145 -14.262 -15.754 1.00 11.31 H new ATOM 0 HG23 ILE A 30 -3.728 -14.994 -14.964 1.00 11.31 H new ATOM 0 HD11 ILE A 30 -3.491 -13.462 -11.098 1.00 25.13 H new ATOM 0 HD12 ILE A 30 -4.976 -12.850 -11.864 1.00 25.13 H new ATOM 0 HD13 ILE A 30 -4.404 -14.496 -12.223 1.00 25.13 H new ATOM 474 N ILE A 31 -4.746 -11.487 -17.179 1.00 25.34 N ATOM 475 CA ILE A 31 -5.571 -11.440 -18.360 1.00 31.24 C ATOM 476 C ILE A 31 -4.756 -11.115 -19.623 1.00 10.14 C ATOM 477 O ILE A 31 -4.913 -11.771 -20.658 1.00 1.03 O ATOM 478 CB ILE A 31 -6.693 -10.382 -18.221 1.00 3.32 C ATOM 479 CG1 ILE A 31 -7.513 -10.635 -16.964 1.00 50.34 C ATOM 480 CG2 ILE A 31 -7.597 -10.436 -19.426 1.00 30.32 C ATOM 481 CD1 ILE A 31 -8.659 -9.672 -16.781 1.00 51.41 C ATOM 0 H ILE A 31 -4.904 -10.716 -16.530 1.00 25.34 H new ATOM 0 HA ILE A 31 -6.007 -12.434 -18.461 1.00 31.24 H new ATOM 0 HB ILE A 31 -6.232 -9.397 -18.151 1.00 3.32 H new ATOM 0 HG12 ILE A 31 -7.906 -11.651 -16.996 1.00 50.34 H new ATOM 0 HG13 ILE A 31 -6.857 -10.574 -16.095 1.00 50.34 H new ATOM 0 HG21 ILE A 31 -8.385 -9.690 -19.324 1.00 30.32 H new ATOM 0 HG22 ILE A 31 -7.017 -10.230 -20.326 1.00 30.32 H new ATOM 0 HG23 ILE A 31 -8.044 -11.427 -19.501 1.00 30.32 H new ATOM 0 HD11 ILE A 31 -9.196 -9.916 -15.864 1.00 51.41 H new ATOM 0 HD12 ILE A 31 -8.273 -8.655 -16.716 1.00 51.41 H new ATOM 0 HD13 ILE A 31 -9.338 -9.748 -17.631 1.00 51.41 H new ATOM 493 N THR A 32 -3.873 -10.143 -19.520 1.00 43.03 N ATOM 494 CA THR A 32 -3.158 -9.656 -20.676 1.00 15.25 C ATOM 495 C THR A 32 -1.920 -10.489 -21.001 1.00 71.12 C ATOM 496 O THR A 32 -1.687 -10.832 -22.168 1.00 63.22 O ATOM 497 CB THR A 32 -2.755 -8.180 -20.478 1.00 3.24 C ATOM 498 OG1 THR A 32 -1.975 -8.057 -19.268 1.00 53.13 O ATOM 499 CG2 THR A 32 -3.992 -7.292 -20.368 1.00 42.45 C ATOM 0 H THR A 32 -3.635 -9.676 -18.645 1.00 43.03 H new ATOM 0 HA THR A 32 -3.839 -9.743 -21.522 1.00 15.25 H new ATOM 0 HB THR A 32 -2.169 -7.860 -21.339 1.00 3.24 H new ATOM 0 HG1 THR A 32 -2.569 -7.855 -18.515 1.00 53.13 H new ATOM 0 HG21 THR A 32 -3.685 -6.256 -20.229 1.00 42.45 H new ATOM 0 HG22 THR A 32 -4.582 -7.376 -21.280 1.00 42.45 H new ATOM 0 HG23 THR A 32 -4.593 -7.610 -19.516 1.00 42.45 H new ATOM 507 N LYS A 33 -1.126 -10.811 -19.955 1.00 61.31 N ATOM 508 CA LYS A 33 0.160 -11.530 -20.076 1.00 63.21 C ATOM 509 C LYS A 33 1.150 -10.708 -20.882 1.00 42.24 C ATOM 510 O LYS A 33 2.183 -11.200 -21.325 1.00 51.43 O ATOM 511 CB LYS A 33 -0.029 -12.899 -20.727 1.00 24.43 C ATOM 512 CG LYS A 33 -0.974 -13.809 -19.975 1.00 21.42 C ATOM 513 CD LYS A 33 -1.114 -15.157 -20.651 1.00 51.20 C ATOM 514 CE LYS A 33 -1.694 -15.039 -22.051 1.00 53.22 C ATOM 515 NZ LYS A 33 -1.816 -16.358 -22.692 1.00 14.15 N ATOM 0 H LYS A 33 -1.364 -10.575 -18.992 1.00 61.31 H new ATOM 0 HA LYS A 33 0.553 -11.681 -19.070 1.00 63.21 H new ATOM 0 HB2 LYS A 33 -0.404 -12.760 -21.741 1.00 24.43 H new ATOM 0 HB3 LYS A 33 0.942 -13.388 -20.810 1.00 24.43 H new ATOM 0 HG2 LYS A 33 -0.611 -13.949 -18.957 1.00 21.42 H new ATOM 0 HG3 LYS A 33 -1.953 -13.336 -19.902 1.00 21.42 H new ATOM 0 HD2 LYS A 33 -0.138 -15.639 -20.703 1.00 51.20 H new ATOM 0 HD3 LYS A 33 -1.754 -15.800 -20.047 1.00 51.20 H new ATOM 0 HE2 LYS A 33 -2.674 -14.564 -22.002 1.00 53.22 H new ATOM 0 HE3 LYS A 33 -1.057 -14.395 -22.658 1.00 53.22 H new ATOM 0 HZ1 LYS A 33 -2.215 -16.245 -23.646 1.00 14.15 H new ATOM 0 HZ2 LYS A 33 -0.877 -16.799 -22.759 1.00 14.15 H new ATOM 0 HZ3 LYS A 33 -2.443 -16.963 -22.124 1.00 14.15 H new ATOM 529 N SER A 34 0.864 -9.436 -21.003 1.00 5.53 N ATOM 530 CA SER A 34 1.626 -8.568 -21.857 1.00 73.15 C ATOM 531 C SER A 34 2.847 -7.973 -21.155 1.00 73.43 C ATOM 532 O SER A 34 3.738 -7.448 -21.817 1.00 63.22 O ATOM 533 CB SER A 34 0.707 -7.475 -22.377 1.00 62.05 C ATOM 534 OG SER A 34 -0.433 -8.055 -23.006 1.00 73.53 O ATOM 0 H SER A 34 0.097 -8.976 -20.512 1.00 5.53 H new ATOM 0 HA SER A 34 2.019 -9.156 -22.687 1.00 73.15 H new ATOM 0 HB2 SER A 34 0.391 -6.832 -21.555 1.00 62.05 H new ATOM 0 HB3 SER A 34 1.243 -6.845 -23.087 1.00 62.05 H new ATOM 0 HG SER A 34 -1.021 -7.344 -23.337 1.00 73.53 H new ATOM 540 N SER A 35 2.872 -8.047 -19.808 1.00 32.22 N ATOM 541 CA SER A 35 3.999 -7.538 -18.958 1.00 65.15 C ATOM 542 C SER A 35 4.112 -5.982 -18.975 1.00 1.41 C ATOM 543 O SER A 35 4.735 -5.375 -18.091 1.00 2.34 O ATOM 544 CB SER A 35 5.334 -8.164 -19.403 1.00 43.41 C ATOM 545 OG SER A 35 5.253 -9.585 -19.432 1.00 4.21 O ATOM 0 H SER A 35 2.114 -8.461 -19.265 1.00 32.22 H new ATOM 0 HA SER A 35 3.776 -7.836 -17.933 1.00 65.15 H new ATOM 0 HB2 SER A 35 5.601 -7.792 -20.392 1.00 43.41 H new ATOM 0 HB3 SER A 35 6.128 -7.856 -18.722 1.00 43.41 H new ATOM 0 HG SER A 35 4.666 -9.894 -18.710 1.00 4.21 H new ATOM 551 N LYS A 36 3.502 -5.382 -19.955 1.00 32.41 N ATOM 552 CA LYS A 36 3.520 -3.996 -20.203 1.00 71.43 C ATOM 553 C LYS A 36 2.367 -3.746 -21.140 1.00 45.13 C ATOM 554 O LYS A 36 2.032 -4.614 -21.944 1.00 45.41 O ATOM 555 CB LYS A 36 4.840 -3.620 -20.890 1.00 14.13 C ATOM 556 CG LYS A 36 4.981 -2.154 -21.245 1.00 72.20 C ATOM 557 CD LYS A 36 6.277 -1.908 -21.976 1.00 54.12 C ATOM 558 CE LYS A 36 6.430 -0.458 -22.384 1.00 72.33 C ATOM 559 NZ LYS A 36 7.663 -0.253 -23.169 1.00 5.51 N ATOM 0 H LYS A 36 2.946 -5.895 -20.639 1.00 32.41 H new ATOM 0 HA LYS A 36 3.436 -3.409 -19.288 1.00 71.43 H new ATOM 0 HB2 LYS A 36 5.666 -3.901 -20.236 1.00 14.13 H new ATOM 0 HB3 LYS A 36 4.939 -4.210 -21.801 1.00 14.13 H new ATOM 0 HG2 LYS A 36 4.142 -1.842 -21.867 1.00 72.20 H new ATOM 0 HG3 LYS A 36 4.948 -1.550 -20.338 1.00 72.20 H new ATOM 0 HD2 LYS A 36 7.113 -2.196 -21.339 1.00 54.12 H new ATOM 0 HD3 LYS A 36 6.319 -2.541 -22.863 1.00 54.12 H new ATOM 0 HE2 LYS A 36 5.566 -0.150 -22.972 1.00 72.33 H new ATOM 0 HE3 LYS A 36 6.452 0.172 -21.495 1.00 72.33 H new ATOM 0 HZ1 LYS A 36 7.742 0.749 -23.435 1.00 5.51 H new ATOM 0 HZ2 LYS A 36 8.488 -0.526 -22.597 1.00 5.51 H new ATOM 0 HZ3 LYS A 36 7.629 -0.838 -24.028 1.00 5.51 H new ATOM 573 N GLY A 37 1.765 -2.634 -21.022 1.00 12.31 N ATOM 574 CA GLY A 37 0.647 -2.283 -21.854 1.00 22.34 C ATOM 575 C GLY A 37 -0.116 -1.199 -21.195 1.00 62.10 C ATOM 576 O GLY A 37 0.441 -0.501 -20.339 1.00 34.12 O ATOM 0 H GLY A 37 2.023 -1.919 -20.342 1.00 12.31 H new ATOM 0 HA2 GLY A 37 0.994 -1.958 -22.835 1.00 22.34 H new ATOM 0 HA3 GLY A 37 0.008 -3.151 -22.014 1.00 22.34 H new ATOM 580 N ASP A 38 -1.371 -1.035 -21.531 1.00 61.04 N ATOM 581 CA ASP A 38 -2.124 -0.006 -20.879 1.00 65.41 C ATOM 582 C ASP A 38 -2.823 -0.569 -19.685 1.00 55.13 C ATOM 583 O ASP A 38 -3.765 -1.357 -19.792 1.00 61.51 O ATOM 584 CB ASP A 38 -3.139 0.653 -21.817 1.00 71.22 C ATOM 585 CG ASP A 38 -2.501 1.412 -22.943 1.00 43.21 C ATOM 586 OD1 ASP A 38 -2.187 2.613 -22.756 1.00 44.51 O ATOM 587 OD2 ASP A 38 -2.300 0.834 -24.030 1.00 32.33 O ATOM 0 H ASP A 38 -1.875 -1.582 -22.229 1.00 61.04 H new ATOM 0 HA ASP A 38 -1.421 0.767 -20.567 1.00 65.41 H new ATOM 0 HB2 ASP A 38 -3.793 -0.115 -22.230 1.00 71.22 H new ATOM 0 HB3 ASP A 38 -3.768 1.332 -21.241 1.00 71.22 H new ATOM 592 N PHE A 39 -2.363 -0.174 -18.560 1.00 62.12 N ATOM 593 CA PHE A 39 -2.943 -0.552 -17.320 1.00 4.44 C ATOM 594 C PHE A 39 -3.262 0.704 -16.586 1.00 35.51 C ATOM 595 O PHE A 39 -2.356 1.475 -16.261 1.00 33.42 O ATOM 596 CB PHE A 39 -1.984 -1.432 -16.506 1.00 63.12 C ATOM 597 CG PHE A 39 -1.582 -2.711 -17.202 1.00 3.32 C ATOM 598 CD1 PHE A 39 -2.485 -3.740 -17.347 1.00 5.00 C ATOM 599 CD2 PHE A 39 -0.305 -2.872 -17.719 1.00 51.21 C ATOM 600 CE1 PHE A 39 -2.132 -4.908 -17.985 1.00 65.41 C ATOM 601 CE2 PHE A 39 0.057 -4.039 -18.360 1.00 54.11 C ATOM 602 CZ PHE A 39 -0.858 -5.058 -18.494 1.00 44.23 C ATOM 0 H PHE A 39 -1.552 0.437 -18.468 1.00 62.12 H new ATOM 0 HA PHE A 39 -3.844 -1.142 -17.485 1.00 4.44 H new ATOM 0 HB2 PHE A 39 -1.086 -0.858 -16.277 1.00 63.12 H new ATOM 0 HB3 PHE A 39 -2.455 -1.681 -15.555 1.00 63.12 H new ATOM 0 HD1 PHE A 39 -3.485 -3.629 -16.955 1.00 5.00 H new ATOM 0 HD2 PHE A 39 0.415 -2.074 -17.619 1.00 51.21 H new ATOM 0 HE1 PHE A 39 -2.852 -5.707 -18.087 1.00 65.41 H new ATOM 0 HE2 PHE A 39 1.056 -4.152 -18.755 1.00 54.11 H new ATOM 0 HZ PHE A 39 -0.580 -5.973 -18.996 1.00 44.23 H new ATOM 612 N LEU A 40 -4.509 0.948 -16.345 1.00 25.14 N ATOM 613 CA LEU A 40 -4.891 2.173 -15.701 1.00 12.32 C ATOM 614 C LEU A 40 -5.519 1.882 -14.380 1.00 33.35 C ATOM 615 O LEU A 40 -6.501 1.152 -14.297 1.00 51.54 O ATOM 616 CB LEU A 40 -5.842 2.998 -16.567 1.00 22.34 C ATOM 617 CG LEU A 40 -5.348 3.384 -17.966 1.00 24.42 C ATOM 618 CD1 LEU A 40 -6.391 4.212 -18.687 1.00 14.23 C ATOM 619 CD2 LEU A 40 -4.035 4.139 -17.887 1.00 13.03 C ATOM 0 H LEU A 40 -5.280 0.323 -16.581 1.00 25.14 H new ATOM 0 HA LEU A 40 -3.988 2.764 -15.550 1.00 12.32 H new ATOM 0 HB2 LEU A 40 -6.771 2.439 -16.678 1.00 22.34 H new ATOM 0 HB3 LEU A 40 -6.083 3.914 -16.028 1.00 22.34 H new ATOM 0 HG LEU A 40 -5.180 2.467 -18.531 1.00 24.42 H new ATOM 0 HD11 LEU A 40 -6.024 4.477 -19.678 1.00 14.23 H new ATOM 0 HD12 LEU A 40 -7.311 3.635 -18.783 1.00 14.23 H new ATOM 0 HD13 LEU A 40 -6.590 5.121 -18.119 1.00 14.23 H new ATOM 0 HD21 LEU A 40 -3.705 4.402 -18.892 1.00 13.03 H new ATOM 0 HD22 LEU A 40 -4.173 5.048 -17.301 1.00 13.03 H new ATOM 0 HD23 LEU A 40 -3.282 3.511 -17.411 1.00 13.03 H new ATOM 631 N ILE A 41 -4.971 2.449 -13.355 1.00 31.41 N ATOM 632 CA ILE A 41 -5.449 2.209 -12.041 1.00 71.12 C ATOM 633 C ILE A 41 -6.137 3.446 -11.509 1.00 32.24 C ATOM 634 O ILE A 41 -5.661 4.570 -11.707 1.00 63.23 O ATOM 635 CB ILE A 41 -4.311 1.753 -11.094 1.00 73.32 C ATOM 636 CG1 ILE A 41 -3.583 0.545 -11.726 1.00 41.54 C ATOM 637 CG2 ILE A 41 -4.867 1.416 -9.708 1.00 32.30 C ATOM 638 CD1 ILE A 41 -2.641 -0.201 -10.823 1.00 43.12 C ATOM 0 H ILE A 41 -4.180 3.091 -13.409 1.00 31.41 H new ATOM 0 HA ILE A 41 -6.173 1.395 -12.084 1.00 71.12 H new ATOM 0 HB ILE A 41 -3.593 2.563 -10.962 1.00 73.32 H new ATOM 0 HG12 ILE A 41 -4.333 -0.155 -12.094 1.00 41.54 H new ATOM 0 HG13 ILE A 41 -3.023 0.896 -12.593 1.00 41.54 H new ATOM 0 HG21 ILE A 41 -4.053 1.098 -9.057 1.00 32.30 H new ATOM 0 HG22 ILE A 41 -5.347 2.298 -9.284 1.00 32.30 H new ATOM 0 HG23 ILE A 41 -5.598 0.612 -9.795 1.00 32.30 H new ATOM 0 HD11 ILE A 41 -2.188 -1.027 -11.372 1.00 43.12 H new ATOM 0 HD12 ILE A 41 -1.860 0.475 -10.474 1.00 43.12 H new ATOM 0 HD13 ILE A 41 -3.191 -0.593 -9.967 1.00 43.12 H new ATOM 650 N ARG A 42 -7.270 3.241 -10.878 1.00 11.44 N ATOM 651 CA ARG A 42 -8.046 4.310 -10.328 1.00 65.44 C ATOM 652 C ARG A 42 -7.358 4.789 -9.089 1.00 32.22 C ATOM 653 O ARG A 42 -7.058 4.007 -8.187 1.00 34.23 O ATOM 654 CB ARG A 42 -9.440 3.826 -9.977 1.00 2.15 C ATOM 655 CG ARG A 42 -10.479 4.921 -9.731 1.00 40.15 C ATOM 656 CD ARG A 42 -10.746 5.724 -11.005 1.00 21.32 C ATOM 657 NE ARG A 42 -12.112 6.253 -11.069 1.00 51.32 N ATOM 658 CZ ARG A 42 -12.613 6.960 -12.102 1.00 75.31 C ATOM 659 NH1 ARG A 42 -11.828 7.310 -13.119 1.00 53.25 N ATOM 660 NH2 ARG A 42 -13.897 7.299 -12.117 1.00 32.32 N ATOM 0 H ARG A 42 -7.676 2.316 -10.735 1.00 11.44 H new ATOM 0 HA ARG A 42 -8.136 5.115 -11.057 1.00 65.44 H new ATOM 0 HB2 ARG A 42 -9.797 3.187 -10.784 1.00 2.15 H new ATOM 0 HB3 ARG A 42 -9.375 3.205 -9.084 1.00 2.15 H new ATOM 0 HG2 ARG A 42 -11.408 4.472 -9.379 1.00 40.15 H new ATOM 0 HG3 ARG A 42 -10.129 5.588 -8.944 1.00 40.15 H new ATOM 0 HD2 ARG A 42 -10.038 6.551 -11.062 1.00 21.32 H new ATOM 0 HD3 ARG A 42 -10.566 5.090 -11.873 1.00 21.32 H new ATOM 0 HE ARG A 42 -12.727 6.073 -10.275 1.00 51.32 H new ATOM 0 HH11 ARG A 42 -10.844 7.043 -13.119 1.00 53.25 H new ATOM 0 HH12 ARG A 42 -12.211 7.845 -13.898 1.00 53.25 H new ATOM 0 HH21 ARG A 42 -14.506 7.025 -11.346 1.00 32.32 H new ATOM 0 HH22 ARG A 42 -14.274 7.834 -12.899 1.00 32.32 H new ATOM 674 N THR A 43 -7.122 6.025 -9.047 1.00 1.44 N ATOM 675 CA THR A 43 -6.429 6.624 -7.969 1.00 3.33 C ATOM 676 C THR A 43 -7.224 7.827 -7.529 1.00 21.52 C ATOM 677 O THR A 43 -7.984 8.401 -8.333 1.00 1.51 O ATOM 678 CB THR A 43 -4.968 7.014 -8.386 1.00 63.13 C ATOM 679 OG1 THR A 43 -4.210 7.478 -7.260 1.00 40.44 O ATOM 680 CG2 THR A 43 -4.952 8.084 -9.464 1.00 12.54 C ATOM 0 H THR A 43 -7.407 6.680 -9.775 1.00 1.44 H new ATOM 0 HA THR A 43 -6.332 5.922 -7.140 1.00 3.33 H new ATOM 0 HB THR A 43 -4.511 6.107 -8.783 1.00 63.13 H new ATOM 0 HG1 THR A 43 -3.304 7.712 -7.550 1.00 40.44 H new ATOM 0 HG21 THR A 43 -3.921 8.324 -9.723 1.00 12.54 H new ATOM 0 HG22 THR A 43 -5.472 7.717 -10.349 1.00 12.54 H new ATOM 0 HG23 THR A 43 -5.451 8.980 -9.095 1.00 12.54 H new ATOM 688 N LYS A 44 -7.089 8.196 -6.296 1.00 60.25 N ATOM 689 CA LYS A 44 -7.818 9.299 -5.781 1.00 22.12 C ATOM 690 C LYS A 44 -6.825 10.415 -5.608 1.00 31.12 C ATOM 691 O LYS A 44 -5.923 10.368 -4.766 1.00 35.31 O ATOM 692 CB LYS A 44 -8.483 8.865 -4.456 1.00 44.43 C ATOM 693 CG LYS A 44 -9.461 9.840 -3.770 1.00 72.14 C ATOM 694 CD LYS A 44 -8.781 11.057 -3.171 1.00 4.22 C ATOM 695 CE LYS A 44 -9.759 11.895 -2.367 1.00 13.42 C ATOM 696 NZ LYS A 44 -10.317 11.158 -1.202 1.00 42.22 N ATOM 0 H LYS A 44 -6.472 7.741 -5.624 1.00 60.25 H new ATOM 0 HA LYS A 44 -8.619 9.639 -6.438 1.00 22.12 H new ATOM 0 HB2 LYS A 44 -9.019 7.935 -4.643 1.00 44.43 H new ATOM 0 HB3 LYS A 44 -7.689 8.637 -3.745 1.00 44.43 H new ATOM 0 HG2 LYS A 44 -10.203 10.169 -4.497 1.00 72.14 H new ATOM 0 HG3 LYS A 44 -9.998 9.310 -2.984 1.00 72.14 H new ATOM 0 HD2 LYS A 44 -7.959 10.738 -2.530 1.00 4.22 H new ATOM 0 HD3 LYS A 44 -8.348 11.663 -3.967 1.00 4.22 H new ATOM 0 HE2 LYS A 44 -9.257 12.797 -2.016 1.00 13.42 H new ATOM 0 HE3 LYS A 44 -10.575 12.216 -3.014 1.00 13.42 H new ATOM 0 HZ1 LYS A 44 -10.740 11.834 -0.534 1.00 42.22 H new ATOM 0 HZ2 LYS A 44 -11.046 10.493 -1.529 1.00 42.22 H new ATOM 0 HZ3 LYS A 44 -9.556 10.632 -0.727 1.00 42.22 H new ATOM 710 N LYS A 45 -6.978 11.376 -6.451 1.00 62.32 N ATOM 711 CA LYS A 45 -6.088 12.495 -6.554 1.00 51.44 C ATOM 712 C LYS A 45 -6.910 13.770 -6.653 1.00 23.33 C ATOM 713 O LYS A 45 -7.833 13.835 -7.459 1.00 11.43 O ATOM 714 CB LYS A 45 -5.233 12.339 -7.826 1.00 74.04 C ATOM 715 CG LYS A 45 -4.151 13.372 -8.008 1.00 35.21 C ATOM 716 CD LYS A 45 -3.358 13.081 -9.266 1.00 5.11 C ATOM 717 CE LYS A 45 -2.564 11.775 -9.188 1.00 74.13 C ATOM 718 NZ LYS A 45 -1.748 11.571 -10.406 1.00 61.52 N ATOM 0 H LYS A 45 -7.752 11.412 -7.114 1.00 62.32 H new ATOM 0 HA LYS A 45 -5.440 12.541 -5.679 1.00 51.44 H new ATOM 0 HB2 LYS A 45 -4.771 11.352 -7.814 1.00 74.04 H new ATOM 0 HB3 LYS A 45 -5.893 12.372 -8.693 1.00 74.04 H new ATOM 0 HG2 LYS A 45 -4.594 14.366 -8.070 1.00 35.21 H new ATOM 0 HG3 LYS A 45 -3.488 13.372 -7.143 1.00 35.21 H new ATOM 0 HD2 LYS A 45 -4.040 13.034 -10.115 1.00 5.11 H new ATOM 0 HD3 LYS A 45 -2.671 13.906 -9.454 1.00 5.11 H new ATOM 0 HE2 LYS A 45 -1.916 11.792 -8.312 1.00 74.13 H new ATOM 0 HE3 LYS A 45 -3.249 10.937 -9.062 1.00 74.13 H new ATOM 0 HZ1 LYS A 45 -1.328 10.620 -10.387 1.00 61.52 H new ATOM 0 HZ2 LYS A 45 -2.351 11.666 -11.248 1.00 61.52 H new ATOM 0 HZ3 LYS A 45 -0.991 12.283 -10.440 1.00 61.52 H new ATOM 732 N ASP A 46 -6.597 14.753 -5.820 1.00 52.21 N ATOM 733 CA ASP A 46 -7.253 16.094 -5.844 1.00 53.20 C ATOM 734 C ASP A 46 -8.766 15.959 -5.568 1.00 35.34 C ATOM 735 O ASP A 46 -9.581 16.766 -5.996 1.00 3.51 O ATOM 736 CB ASP A 46 -6.981 16.770 -7.224 1.00 64.11 C ATOM 737 CG ASP A 46 -7.410 18.230 -7.312 1.00 45.50 C ATOM 738 OD1 ASP A 46 -6.682 19.103 -6.772 1.00 60.11 O ATOM 739 OD2 ASP A 46 -8.440 18.535 -7.934 1.00 10.13 O ATOM 0 H ASP A 46 -5.881 14.663 -5.099 1.00 52.21 H new ATOM 0 HA ASP A 46 -6.835 16.724 -5.058 1.00 53.20 H new ATOM 0 HB2 ASP A 46 -5.915 16.705 -7.442 1.00 64.11 H new ATOM 0 HB3 ASP A 46 -7.500 16.205 -7.999 1.00 64.11 H new ATOM 744 N GLY A 47 -9.113 14.964 -4.772 1.00 1.42 N ATOM 745 CA GLY A 47 -10.507 14.712 -4.440 1.00 31.23 C ATOM 746 C GLY A 47 -11.272 14.027 -5.568 1.00 42.13 C ATOM 747 O GLY A 47 -12.495 13.860 -5.496 1.00 33.53 O ATOM 0 H GLY A 47 -8.451 14.317 -4.343 1.00 1.42 H new ATOM 0 HA2 GLY A 47 -10.556 14.091 -3.546 1.00 31.23 H new ATOM 0 HA3 GLY A 47 -10.994 15.657 -4.199 1.00 31.23 H new ATOM 751 N LYS A 48 -10.560 13.624 -6.591 1.00 73.41 N ATOM 752 CA LYS A 48 -11.158 13.020 -7.758 1.00 15.50 C ATOM 753 C LYS A 48 -10.596 11.626 -7.951 1.00 42.04 C ATOM 754 O LYS A 48 -9.479 11.342 -7.537 1.00 43.35 O ATOM 755 CB LYS A 48 -10.798 13.862 -8.980 1.00 64.25 C ATOM 756 CG LYS A 48 -11.166 15.326 -8.849 1.00 22.20 C ATOM 757 CD LYS A 48 -10.658 16.124 -10.028 1.00 32.22 C ATOM 758 CE LYS A 48 -10.987 17.594 -9.877 1.00 34.42 C ATOM 759 NZ LYS A 48 -10.441 18.392 -10.984 1.00 23.23 N ATOM 0 H LYS A 48 -9.544 13.706 -6.639 1.00 73.41 H new ATOM 0 HA LYS A 48 -12.239 12.967 -7.632 1.00 15.50 H new ATOM 0 HB2 LYS A 48 -9.726 13.782 -9.161 1.00 64.25 H new ATOM 0 HB3 LYS A 48 -11.300 13.448 -9.854 1.00 64.25 H new ATOM 0 HG2 LYS A 48 -12.249 15.427 -8.778 1.00 22.20 H new ATOM 0 HG3 LYS A 48 -10.747 15.728 -7.927 1.00 22.20 H new ATOM 0 HD2 LYS A 48 -9.579 15.998 -10.118 1.00 32.22 H new ATOM 0 HD3 LYS A 48 -11.102 15.742 -10.947 1.00 32.22 H new ATOM 0 HE2 LYS A 48 -12.069 17.722 -9.836 1.00 34.42 H new ATOM 0 HE3 LYS A 48 -10.586 17.961 -8.932 1.00 34.42 H new ATOM 0 HZ1 LYS A 48 -10.687 19.393 -10.845 1.00 23.23 H new ATOM 0 HZ2 LYS A 48 -9.406 18.290 -11.008 1.00 23.23 H new ATOM 0 HZ3 LYS A 48 -10.843 18.059 -11.883 1.00 23.23 H new ATOM 773 N GLN A 49 -11.364 10.759 -8.542 1.00 35.23 N ATOM 774 CA GLN A 49 -10.907 9.452 -8.868 1.00 52.01 C ATOM 775 C GLN A 49 -10.585 9.450 -10.334 1.00 32.12 C ATOM 776 O GLN A 49 -11.441 9.760 -11.164 1.00 24.44 O ATOM 777 CB GLN A 49 -11.957 8.368 -8.544 1.00 2.41 C ATOM 778 CG GLN A 49 -12.311 8.199 -7.053 1.00 52.10 C ATOM 779 CD GLN A 49 -12.948 9.421 -6.400 1.00 33.03 C ATOM 780 OE1 GLN A 49 -13.642 10.201 -7.047 1.00 43.13 O ATOM 781 NE2 GLN A 49 -12.728 9.587 -5.120 1.00 34.03 N ATOM 0 H GLN A 49 -12.330 10.946 -8.811 1.00 35.23 H new ATOM 0 HA GLN A 49 -10.029 9.212 -8.268 1.00 52.01 H new ATOM 0 HB2 GLN A 49 -12.871 8.600 -9.091 1.00 2.41 H new ATOM 0 HB3 GLN A 49 -11.593 7.413 -8.922 1.00 2.41 H new ATOM 0 HG2 GLN A 49 -12.992 7.354 -6.950 1.00 52.10 H new ATOM 0 HG3 GLN A 49 -11.403 7.945 -6.506 1.00 52.10 H new ATOM 0 HE21 GLN A 49 -12.147 8.921 -4.612 1.00 34.03 H new ATOM 0 HE22 GLN A 49 -13.138 10.383 -4.631 1.00 34.03 H new ATOM 790 N VAL A 50 -9.375 9.138 -10.655 1.00 61.20 N ATOM 791 CA VAL A 50 -8.917 9.189 -12.026 1.00 75.55 C ATOM 792 C VAL A 50 -8.179 7.920 -12.379 1.00 24.11 C ATOM 793 O VAL A 50 -7.793 7.161 -11.493 1.00 22.05 O ATOM 794 CB VAL A 50 -7.987 10.417 -12.277 1.00 74.13 C ATOM 795 CG1 VAL A 50 -8.736 11.726 -12.073 1.00 44.04 C ATOM 796 CG2 VAL A 50 -6.765 10.370 -11.364 1.00 44.53 C ATOM 0 H VAL A 50 -8.667 8.839 -9.985 1.00 61.20 H new ATOM 0 HA VAL A 50 -9.798 9.291 -12.660 1.00 75.55 H new ATOM 0 HB VAL A 50 -7.654 10.368 -13.314 1.00 74.13 H new ATOM 0 HG11 VAL A 50 -8.062 12.563 -12.255 1.00 44.04 H new ATOM 0 HG12 VAL A 50 -9.574 11.778 -12.768 1.00 44.04 H new ATOM 0 HG13 VAL A 50 -9.109 11.776 -11.050 1.00 44.04 H new ATOM 0 HG21 VAL A 50 -6.132 11.236 -11.558 1.00 44.53 H new ATOM 0 HG22 VAL A 50 -7.088 10.382 -10.323 1.00 44.53 H new ATOM 0 HG23 VAL A 50 -6.201 9.458 -11.558 1.00 44.53 H new ATOM 806 N TRP A 51 -8.018 7.674 -13.651 1.00 73.50 N ATOM 807 CA TRP A 51 -7.269 6.543 -14.119 1.00 2.52 C ATOM 808 C TRP A 51 -5.850 6.979 -14.416 1.00 71.14 C ATOM 809 O TRP A 51 -5.613 7.813 -15.306 1.00 3.23 O ATOM 810 CB TRP A 51 -7.895 5.943 -15.385 1.00 51.11 C ATOM 811 CG TRP A 51 -9.271 5.422 -15.222 1.00 31.41 C ATOM 812 CD1 TRP A 51 -10.368 5.918 -15.798 1.00 24.05 C ATOM 813 CD2 TRP A 51 -9.693 4.299 -14.439 1.00 31.21 C ATOM 814 NE1 TRP A 51 -11.470 5.197 -15.436 1.00 11.20 N ATOM 815 CE2 TRP A 51 -11.083 4.189 -14.599 1.00 31.32 C ATOM 816 CE3 TRP A 51 -9.037 3.377 -13.628 1.00 12.12 C ATOM 817 CZ2 TRP A 51 -11.832 3.197 -13.974 1.00 50.42 C ATOM 818 CZ3 TRP A 51 -9.781 2.391 -13.008 1.00 31.10 C ATOM 819 CH2 TRP A 51 -11.164 2.309 -13.186 1.00 64.41 C ATOM 0 H TRP A 51 -8.405 8.256 -14.394 1.00 73.50 H new ATOM 0 HA TRP A 51 -7.277 5.778 -13.343 1.00 2.52 H new ATOM 0 HB2 TRP A 51 -7.902 6.706 -16.164 1.00 51.11 H new ATOM 0 HB3 TRP A 51 -7.256 5.133 -15.738 1.00 51.11 H new ATOM 0 HD1 TRP A 51 -10.382 6.772 -16.459 1.00 24.05 H new ATOM 0 HE1 TRP A 51 -12.426 5.381 -15.741 1.00 11.20 H new ATOM 0 HE3 TRP A 51 -7.968 3.431 -13.486 1.00 12.12 H new ATOM 0 HZ2 TRP A 51 -12.902 3.133 -14.108 1.00 50.42 H new ATOM 0 HZ3 TRP A 51 -9.284 1.671 -12.375 1.00 31.10 H new ATOM 0 HH2 TRP A 51 -11.715 1.525 -12.688 1.00 64.41 H new ATOM 830 N GLU A 52 -4.928 6.443 -13.692 1.00 62.04 N ATOM 831 CA GLU A 52 -3.539 6.759 -13.870 1.00 71.11 C ATOM 832 C GLU A 52 -2.844 5.510 -14.347 1.00 52.51 C ATOM 833 O GLU A 52 -3.219 4.408 -13.953 1.00 51.10 O ATOM 834 CB GLU A 52 -2.925 7.222 -12.537 1.00 60.25 C ATOM 835 CG GLU A 52 -1.455 7.604 -12.623 1.00 31.24 C ATOM 836 CD GLU A 52 -0.858 7.964 -11.289 1.00 74.34 C ATOM 837 OE1 GLU A 52 -0.452 7.044 -10.544 1.00 52.14 O ATOM 838 OE2 GLU A 52 -0.758 9.171 -10.968 1.00 34.43 O ATOM 0 H GLU A 52 -5.111 5.766 -12.951 1.00 62.04 H new ATOM 0 HA GLU A 52 -3.423 7.564 -14.595 1.00 71.11 H new ATOM 0 HB2 GLU A 52 -3.490 8.078 -12.169 1.00 60.25 H new ATOM 0 HB3 GLU A 52 -3.039 6.425 -11.802 1.00 60.25 H new ATOM 0 HG2 GLU A 52 -0.895 6.773 -13.053 1.00 31.24 H new ATOM 0 HG3 GLU A 52 -1.345 8.449 -13.303 1.00 31.24 H new ATOM 845 N ALA A 53 -1.866 5.669 -15.206 1.00 3.25 N ATOM 846 CA ALA A 53 -1.125 4.548 -15.725 1.00 12.31 C ATOM 847 C ALA A 53 -0.388 3.850 -14.606 1.00 75.15 C ATOM 848 O ALA A 53 0.129 4.504 -13.682 1.00 61.14 O ATOM 849 CB ALA A 53 -0.158 4.996 -16.811 1.00 34.31 C ATOM 0 H ALA A 53 -1.563 6.575 -15.563 1.00 3.25 H new ATOM 0 HA ALA A 53 -1.827 3.844 -16.171 1.00 12.31 H new ATOM 0 HB1 ALA A 53 0.391 4.133 -17.188 1.00 34.31 H new ATOM 0 HB2 ALA A 53 -0.715 5.457 -17.627 1.00 34.31 H new ATOM 0 HB3 ALA A 53 0.544 5.720 -16.397 1.00 34.31 H new ATOM 855 N ALA A 54 -0.384 2.541 -14.650 1.00 32.01 N ATOM 856 CA ALA A 54 0.314 1.747 -13.687 1.00 63.42 C ATOM 857 C ALA A 54 1.804 2.038 -13.743 1.00 62.55 C ATOM 858 O ALA A 54 2.336 2.441 -14.789 1.00 51.41 O ATOM 859 CB ALA A 54 0.041 0.278 -13.916 1.00 5.13 C ATOM 0 H ALA A 54 -0.871 1.998 -15.363 1.00 32.01 H new ATOM 0 HA ALA A 54 -0.046 2.007 -12.692 1.00 63.42 H new ATOM 0 HB1 ALA A 54 0.580 -0.312 -13.175 1.00 5.13 H new ATOM 0 HB2 ALA A 54 -1.028 0.088 -13.824 1.00 5.13 H new ATOM 0 HB3 ALA A 54 0.374 -0.003 -14.915 1.00 5.13 H new ATOM 865 N SER A 55 2.462 1.820 -12.658 1.00 13.54 N ATOM 866 CA SER A 55 3.833 2.134 -12.549 1.00 72.42 C ATOM 867 C SER A 55 4.604 0.899 -12.872 1.00 20.30 C ATOM 868 O SER A 55 4.160 -0.198 -12.535 1.00 21.54 O ATOM 869 CB SER A 55 4.121 2.588 -11.112 1.00 30.42 C ATOM 870 OG SER A 55 5.473 2.989 -10.934 1.00 3.11 O ATOM 0 H SER A 55 2.054 1.414 -11.816 1.00 13.54 H new ATOM 0 HA SER A 55 4.117 2.935 -13.231 1.00 72.42 H new ATOM 0 HB2 SER A 55 3.462 3.417 -10.856 1.00 30.42 H new ATOM 0 HB3 SER A 55 3.892 1.775 -10.423 1.00 30.42 H new ATOM 0 HG SER A 55 5.611 3.272 -10.006 1.00 3.11 H new ATOM 876 N LYS A 56 5.750 1.059 -13.508 1.00 50.25 N ATOM 877 CA LYS A 56 6.598 -0.061 -13.872 1.00 31.45 C ATOM 878 C LYS A 56 6.947 -0.851 -12.624 1.00 42.11 C ATOM 879 O LYS A 56 6.983 -2.070 -12.638 1.00 3.04 O ATOM 880 CB LYS A 56 7.877 0.441 -14.534 1.00 30.54 C ATOM 881 CG LYS A 56 8.759 -0.660 -15.094 1.00 31.02 C ATOM 882 CD LYS A 56 10.046 -0.092 -15.643 1.00 31.45 C ATOM 883 CE LYS A 56 10.899 -1.166 -16.289 1.00 21.04 C ATOM 884 NZ LYS A 56 12.208 -0.639 -16.714 1.00 33.11 N ATOM 0 H LYS A 56 6.119 1.968 -13.787 1.00 50.25 H new ATOM 0 HA LYS A 56 6.065 -0.700 -14.576 1.00 31.45 H new ATOM 0 HB2 LYS A 56 7.612 1.125 -15.340 1.00 30.54 H new ATOM 0 HB3 LYS A 56 8.449 1.015 -13.805 1.00 30.54 H new ATOM 0 HG2 LYS A 56 8.982 -1.386 -14.312 1.00 31.02 H new ATOM 0 HG3 LYS A 56 8.227 -1.193 -15.882 1.00 31.02 H new ATOM 0 HD2 LYS A 56 9.819 0.683 -16.375 1.00 31.45 H new ATOM 0 HD3 LYS A 56 10.607 0.384 -14.839 1.00 31.45 H new ATOM 0 HE2 LYS A 56 11.047 -1.985 -15.585 1.00 21.04 H new ATOM 0 HE3 LYS A 56 10.375 -1.578 -17.152 1.00 21.04 H new ATOM 0 HZ1 LYS A 56 12.764 -1.402 -17.151 1.00 33.11 H new ATOM 0 HZ2 LYS A 56 12.067 0.126 -17.404 1.00 33.11 H new ATOM 0 HZ3 LYS A 56 12.718 -0.269 -15.887 1.00 33.11 H new ATOM 898 N THR A 57 7.165 -0.129 -11.544 1.00 20.30 N ATOM 899 CA THR A 57 7.492 -0.703 -10.271 1.00 0.10 C ATOM 900 C THR A 57 6.348 -1.615 -9.771 1.00 62.01 C ATOM 901 O THR A 57 6.579 -2.760 -9.385 1.00 43.24 O ATOM 902 CB THR A 57 7.759 0.430 -9.267 1.00 45.30 C ATOM 903 OG1 THR A 57 8.741 1.319 -9.837 1.00 63.33 O ATOM 904 CG2 THR A 57 8.288 -0.119 -7.955 1.00 32.33 C ATOM 0 H THR A 57 7.117 0.890 -11.534 1.00 20.30 H new ATOM 0 HA THR A 57 8.386 -1.319 -10.371 1.00 0.10 H new ATOM 0 HB THR A 57 6.826 0.956 -9.067 1.00 45.30 H new ATOM 0 HG1 THR A 57 8.923 2.050 -9.210 1.00 63.33 H new ATOM 0 HG21 THR A 57 8.468 0.703 -7.263 1.00 32.33 H new ATOM 0 HG22 THR A 57 7.555 -0.802 -7.524 1.00 32.33 H new ATOM 0 HG23 THR A 57 9.221 -0.654 -8.134 1.00 32.33 H new ATOM 912 N ALA A 58 5.118 -1.114 -9.826 1.00 72.01 N ATOM 913 CA ALA A 58 3.954 -1.884 -9.383 1.00 61.23 C ATOM 914 C ALA A 58 3.686 -3.029 -10.347 1.00 55.21 C ATOM 915 O ALA A 58 3.311 -4.130 -9.937 1.00 21.11 O ATOM 916 CB ALA A 58 2.732 -0.987 -9.255 1.00 32.14 C ATOM 0 H ALA A 58 4.899 -0.180 -10.172 1.00 72.01 H new ATOM 0 HA ALA A 58 4.167 -2.302 -8.399 1.00 61.23 H new ATOM 0 HB1 ALA A 58 1.879 -1.579 -8.925 1.00 32.14 H new ATOM 0 HB2 ALA A 58 2.932 -0.201 -8.526 1.00 32.14 H new ATOM 0 HB3 ALA A 58 2.508 -0.537 -10.222 1.00 32.14 H new ATOM 922 N LEU A 59 3.894 -2.767 -11.623 1.00 72.15 N ATOM 923 CA LEU A 59 3.745 -3.763 -12.651 1.00 74.31 C ATOM 924 C LEU A 59 4.743 -4.913 -12.440 1.00 53.11 C ATOM 925 O LEU A 59 4.386 -6.070 -12.574 1.00 43.15 O ATOM 926 CB LEU A 59 3.909 -3.127 -14.041 1.00 44.15 C ATOM 927 CG LEU A 59 2.804 -2.178 -14.516 1.00 24.34 C ATOM 928 CD1 LEU A 59 3.259 -1.446 -15.762 1.00 12.32 C ATOM 929 CD2 LEU A 59 1.558 -2.960 -14.851 1.00 5.10 C ATOM 0 H LEU A 59 4.173 -1.850 -11.971 1.00 72.15 H new ATOM 0 HA LEU A 59 2.740 -4.181 -12.590 1.00 74.31 H new ATOM 0 HB2 LEU A 59 4.851 -2.579 -14.052 1.00 44.15 H new ATOM 0 HB3 LEU A 59 3.999 -3.931 -14.771 1.00 44.15 H new ATOM 0 HG LEU A 59 2.591 -1.467 -13.718 1.00 24.34 H new ATOM 0 HD11 LEU A 59 2.470 -0.772 -16.097 1.00 12.32 H new ATOM 0 HD12 LEU A 59 4.157 -0.871 -15.538 1.00 12.32 H new ATOM 0 HD13 LEU A 59 3.477 -2.168 -16.549 1.00 12.32 H new ATOM 0 HD21 LEU A 59 0.779 -2.276 -15.188 1.00 5.10 H new ATOM 0 HD22 LEU A 59 1.779 -3.676 -15.643 1.00 5.10 H new ATOM 0 HD23 LEU A 59 1.214 -3.494 -13.965 1.00 5.10 H new ATOM 941 N LYS A 60 5.980 -4.592 -12.083 1.00 50.41 N ATOM 942 CA LYS A 60 6.981 -5.629 -11.820 1.00 55.41 C ATOM 943 C LYS A 60 6.610 -6.483 -10.618 1.00 42.34 C ATOM 944 O LYS A 60 6.839 -7.678 -10.621 1.00 41.43 O ATOM 945 CB LYS A 60 8.413 -5.066 -11.704 1.00 64.41 C ATOM 946 CG LYS A 60 8.949 -4.470 -12.996 1.00 1.22 C ATOM 947 CD LYS A 60 9.015 -5.514 -14.102 1.00 73.54 C ATOM 948 CE LYS A 60 9.485 -4.907 -15.401 1.00 3.41 C ATOM 949 NZ LYS A 60 9.514 -5.902 -16.500 1.00 22.35 N ATOM 0 H LYS A 60 6.316 -3.636 -11.969 1.00 50.41 H new ATOM 0 HA LYS A 60 6.980 -6.280 -12.694 1.00 55.41 H new ATOM 0 HB2 LYS A 60 8.430 -4.301 -10.928 1.00 64.41 H new ATOM 0 HB3 LYS A 60 9.081 -5.864 -11.379 1.00 64.41 H new ATOM 0 HG2 LYS A 60 8.311 -3.644 -13.310 1.00 1.22 H new ATOM 0 HG3 LYS A 60 9.943 -4.057 -12.823 1.00 1.22 H new ATOM 0 HD2 LYS A 60 9.691 -6.317 -13.808 1.00 73.54 H new ATOM 0 HD3 LYS A 60 8.031 -5.961 -14.242 1.00 73.54 H new ATOM 0 HE2 LYS A 60 8.827 -4.083 -15.675 1.00 3.41 H new ATOM 0 HE3 LYS A 60 10.482 -4.487 -15.265 1.00 3.41 H new ATOM 0 HZ1 LYS A 60 9.842 -5.444 -17.374 1.00 22.35 H new ATOM 0 HZ2 LYS A 60 10.162 -6.676 -16.250 1.00 22.35 H new ATOM 0 HZ3 LYS A 60 8.558 -6.284 -16.647 1.00 22.35 H new ATOM 963 N LYS A 61 6.013 -5.874 -9.602 1.00 3.31 N ATOM 964 CA LYS A 61 5.531 -6.639 -8.444 1.00 3.12 C ATOM 965 C LYS A 61 4.349 -7.514 -8.825 1.00 50.21 C ATOM 966 O LYS A 61 4.225 -8.650 -8.355 1.00 51.13 O ATOM 967 CB LYS A 61 5.187 -5.730 -7.244 1.00 1.10 C ATOM 968 CG LYS A 61 6.378 -5.313 -6.365 1.00 52.32 C ATOM 969 CD LYS A 61 7.506 -4.663 -7.140 1.00 34.24 C ATOM 970 CE LYS A 61 8.629 -4.246 -6.217 1.00 34.22 C ATOM 971 NZ LYS A 61 9.786 -3.715 -6.962 1.00 1.11 N ATOM 0 H LYS A 61 5.849 -4.869 -9.549 1.00 3.31 H new ATOM 0 HA LYS A 61 6.348 -7.287 -8.126 1.00 3.12 H new ATOM 0 HB2 LYS A 61 4.703 -4.829 -7.620 1.00 1.10 H new ATOM 0 HB3 LYS A 61 4.459 -6.245 -6.618 1.00 1.10 H new ATOM 0 HG2 LYS A 61 6.029 -4.621 -5.599 1.00 52.32 H new ATOM 0 HG3 LYS A 61 6.763 -6.192 -5.848 1.00 52.32 H new ATOM 0 HD2 LYS A 61 7.885 -5.358 -7.889 1.00 34.24 H new ATOM 0 HD3 LYS A 61 7.129 -3.792 -7.676 1.00 34.24 H new ATOM 0 HE2 LYS A 61 8.266 -3.488 -5.523 1.00 34.22 H new ATOM 0 HE3 LYS A 61 8.944 -5.101 -5.619 1.00 34.22 H new ATOM 0 HZ1 LYS A 61 10.533 -3.441 -6.293 1.00 1.11 H new ATOM 0 HZ2 LYS A 61 10.149 -4.446 -7.606 1.00 1.11 H new ATOM 0 HZ3 LYS A 61 9.492 -2.883 -7.513 1.00 1.11 H new ATOM 985 N SER A 62 3.507 -7.002 -9.702 1.00 15.30 N ATOM 986 CA SER A 62 2.359 -7.734 -10.167 1.00 71.10 C ATOM 987 C SER A 62 2.800 -8.913 -11.033 1.00 61.33 C ATOM 988 O SER A 62 2.263 -10.019 -10.917 1.00 13.04 O ATOM 989 CB SER A 62 1.434 -6.794 -10.933 1.00 34.35 C ATOM 990 OG SER A 62 1.020 -5.722 -10.090 1.00 4.12 O ATOM 0 H SER A 62 3.604 -6.071 -10.107 1.00 15.30 H new ATOM 0 HA SER A 62 1.811 -8.138 -9.316 1.00 71.10 H new ATOM 0 HB2 SER A 62 1.948 -6.400 -11.810 1.00 34.35 H new ATOM 0 HB3 SER A 62 0.563 -7.341 -11.293 1.00 34.35 H new ATOM 0 HG SER A 62 1.764 -5.096 -9.968 1.00 4.12 H new ATOM 996 N TRP A 63 3.813 -8.688 -11.862 1.00 73.35 N ATOM 997 CA TRP A 63 4.318 -9.719 -12.715 1.00 62.13 C ATOM 998 C TRP A 63 5.123 -10.728 -11.914 1.00 32.31 C ATOM 999 O TRP A 63 5.073 -11.909 -12.182 1.00 32.11 O ATOM 1000 CB TRP A 63 5.156 -9.130 -13.860 1.00 55.21 C ATOM 1001 CG TRP A 63 5.662 -10.168 -14.803 1.00 1.13 C ATOM 1002 CD1 TRP A 63 6.890 -10.728 -14.794 1.00 43.34 C ATOM 1003 CD2 TRP A 63 4.939 -10.792 -15.876 1.00 53.21 C ATOM 1004 NE1 TRP A 63 6.998 -11.655 -15.798 1.00 11.12 N ATOM 1005 CE2 TRP A 63 5.807 -11.718 -16.475 1.00 51.21 C ATOM 1006 CE3 TRP A 63 3.643 -10.656 -16.383 1.00 54.21 C ATOM 1007 CZ2 TRP A 63 5.424 -12.508 -17.560 1.00 15.20 C ATOM 1008 CZ3 TRP A 63 3.266 -11.441 -17.459 1.00 5.01 C ATOM 1009 CH2 TRP A 63 4.153 -12.355 -18.033 1.00 12.02 C ATOM 0 H TRP A 63 4.292 -7.792 -11.950 1.00 73.35 H new ATOM 0 HA TRP A 63 3.468 -10.237 -13.160 1.00 62.13 H new ATOM 0 HB2 TRP A 63 4.552 -8.409 -14.411 1.00 55.21 H new ATOM 0 HB3 TRP A 63 6.001 -8.584 -13.441 1.00 55.21 H new ATOM 0 HD1 TRP A 63 7.676 -10.481 -14.095 1.00 43.34 H new ATOM 0 HE1 TRP A 63 7.829 -12.208 -16.008 1.00 11.12 H new ATOM 0 HE3 TRP A 63 2.950 -9.953 -15.944 1.00 54.21 H new ATOM 0 HZ2 TRP A 63 6.108 -13.214 -18.008 1.00 15.20 H new ATOM 0 HZ3 TRP A 63 2.269 -11.345 -17.862 1.00 5.01 H new ATOM 0 HH2 TRP A 63 3.826 -12.954 -18.870 1.00 12.02 H new ATOM 1020 N LYS A 64 5.845 -10.261 -10.909 1.00 44.45 N ATOM 1021 CA LYS A 64 6.639 -11.162 -10.100 1.00 41.32 C ATOM 1022 C LYS A 64 5.750 -12.131 -9.326 1.00 70.21 C ATOM 1023 O LYS A 64 6.084 -13.302 -9.177 1.00 51.11 O ATOM 1024 CB LYS A 64 7.609 -10.415 -9.168 1.00 64.13 C ATOM 1025 CG LYS A 64 8.492 -11.347 -8.345 1.00 12.01 C ATOM 1026 CD LYS A 64 9.304 -12.270 -9.252 1.00 2.25 C ATOM 1027 CE LYS A 64 10.121 -13.259 -8.455 1.00 31.15 C ATOM 1028 NZ LYS A 64 10.865 -14.184 -9.337 1.00 11.23 N ATOM 0 H LYS A 64 5.896 -9.279 -10.639 1.00 44.45 H new ATOM 0 HA LYS A 64 7.256 -11.745 -10.784 1.00 41.32 H new ATOM 0 HB2 LYS A 64 8.242 -9.759 -9.765 1.00 64.13 H new ATOM 0 HB3 LYS A 64 7.036 -9.779 -8.493 1.00 64.13 H new ATOM 0 HG2 LYS A 64 9.165 -10.760 -7.721 1.00 12.01 H new ATOM 0 HG3 LYS A 64 7.873 -11.942 -7.674 1.00 12.01 H new ATOM 0 HD2 LYS A 64 8.631 -12.808 -9.920 1.00 2.25 H new ATOM 0 HD3 LYS A 64 9.966 -11.673 -9.880 1.00 2.25 H new ATOM 0 HE2 LYS A 64 10.822 -12.722 -7.816 1.00 31.15 H new ATOM 0 HE3 LYS A 64 9.464 -13.830 -7.799 1.00 31.15 H new ATOM 0 HZ1 LYS A 64 11.415 -14.849 -8.757 1.00 11.23 H new ATOM 0 HZ2 LYS A 64 10.194 -14.714 -9.929 1.00 11.23 H new ATOM 0 HZ3 LYS A 64 11.510 -13.640 -9.946 1.00 11.23 H new ATOM 1042 N ARG A 65 4.610 -11.656 -8.867 1.00 3.24 N ATOM 1043 CA ARG A 65 3.678 -12.518 -8.163 1.00 61.30 C ATOM 1044 C ARG A 65 3.063 -13.514 -9.172 1.00 2.15 C ATOM 1045 O ARG A 65 2.707 -14.643 -8.829 1.00 64.41 O ATOM 1046 CB ARG A 65 2.585 -11.679 -7.494 1.00 3.14 C ATOM 1047 CG ARG A 65 1.677 -12.458 -6.537 1.00 34.31 C ATOM 1048 CD ARG A 65 0.600 -11.556 -5.946 1.00 73.12 C ATOM 1049 NE ARG A 65 1.178 -10.411 -5.231 1.00 61.51 N ATOM 1050 CZ ARG A 65 0.545 -9.253 -4.977 1.00 63.24 C ATOM 1051 NH1 ARG A 65 -0.724 -9.079 -5.349 1.00 41.15 N ATOM 1052 NH2 ARG A 65 1.185 -8.272 -4.343 1.00 33.41 N ATOM 0 H ARG A 65 4.307 -10.687 -8.966 1.00 3.24 H new ATOM 0 HA ARG A 65 4.201 -13.071 -7.383 1.00 61.30 H new ATOM 0 HB2 ARG A 65 3.056 -10.865 -6.944 1.00 3.14 H new ATOM 0 HB3 ARG A 65 1.968 -11.225 -8.270 1.00 3.14 H new ATOM 0 HG2 ARG A 65 1.210 -13.287 -7.068 1.00 34.31 H new ATOM 0 HG3 ARG A 65 2.275 -12.890 -5.734 1.00 34.31 H new ATOM 0 HD2 ARG A 65 -0.050 -11.196 -6.743 1.00 73.12 H new ATOM 0 HD3 ARG A 65 -0.023 -12.134 -5.263 1.00 73.12 H new ATOM 0 HE ARG A 65 2.139 -10.502 -4.900 1.00 61.51 H new ATOM 0 HH11 ARG A 65 -1.222 -9.828 -5.830 1.00 41.15 H new ATOM 0 HH12 ARG A 65 -1.197 -8.197 -5.152 1.00 41.15 H new ATOM 0 HH21 ARG A 65 2.154 -8.400 -4.051 1.00 33.41 H new ATOM 0 HH22 ARG A 65 0.706 -7.392 -4.149 1.00 33.41 H new ATOM 1066 N TYR A 66 2.975 -13.069 -10.421 1.00 64.13 N ATOM 1067 CA TYR A 66 2.450 -13.863 -11.529 1.00 53.45 C ATOM 1068 C TYR A 66 3.454 -14.980 -11.861 1.00 43.44 C ATOM 1069 O TYR A 66 3.071 -16.121 -12.137 1.00 55.23 O ATOM 1070 CB TYR A 66 2.215 -12.932 -12.726 1.00 42.14 C ATOM 1071 CG TYR A 66 1.503 -13.545 -13.897 1.00 35.11 C ATOM 1072 CD1 TYR A 66 0.163 -13.861 -13.811 1.00 41.22 C ATOM 1073 CD2 TYR A 66 2.152 -13.769 -15.095 1.00 51.02 C ATOM 1074 CE1 TYR A 66 -0.514 -14.393 -14.880 1.00 10.52 C ATOM 1075 CE2 TYR A 66 1.484 -14.304 -16.177 1.00 70.45 C ATOM 1076 CZ TYR A 66 0.148 -14.614 -16.061 1.00 3.13 C ATOM 1077 OH TYR A 66 -0.534 -15.148 -17.134 1.00 41.51 O ATOM 0 H TYR A 66 3.271 -12.133 -10.697 1.00 64.13 H new ATOM 0 HA TYR A 66 1.501 -14.331 -11.267 1.00 53.45 H new ATOM 0 HB2 TYR A 66 1.641 -12.070 -12.385 1.00 42.14 H new ATOM 0 HB3 TYR A 66 3.180 -12.557 -13.067 1.00 42.14 H new ATOM 0 HD1 TYR A 66 -0.364 -13.686 -12.884 1.00 41.22 H new ATOM 0 HD2 TYR A 66 3.199 -13.521 -15.186 1.00 51.02 H new ATOM 0 HE1 TYR A 66 -1.563 -14.636 -14.792 1.00 10.52 H new ATOM 0 HE2 TYR A 66 2.005 -14.478 -17.107 1.00 70.45 H new ATOM 0 HH TYR A 66 -1.475 -14.878 -17.091 1.00 41.51 H new ATOM 1087 N GLU A 67 4.746 -14.631 -11.810 1.00 22.25 N ATOM 1088 CA GLU A 67 5.859 -15.594 -11.925 1.00 10.42 C ATOM 1089 C GLU A 67 5.690 -16.645 -10.895 1.00 23.01 C ATOM 1090 O GLU A 67 5.835 -17.842 -11.170 1.00 34.32 O ATOM 1091 CB GLU A 67 7.175 -14.888 -11.639 1.00 14.11 C ATOM 1092 CG GLU A 67 7.519 -13.819 -12.611 1.00 31.24 C ATOM 1093 CD GLU A 67 7.914 -14.380 -13.944 1.00 14.21 C ATOM 1094 OE1 GLU A 67 7.054 -14.652 -14.775 1.00 74.51 O ATOM 1095 OE2 GLU A 67 9.139 -14.576 -14.160 1.00 64.03 O ATOM 0 H GLU A 67 5.055 -13.667 -11.687 1.00 22.25 H new ATOM 0 HA GLU A 67 5.862 -16.019 -12.929 1.00 10.42 H new ATOM 0 HB2 GLU A 67 7.131 -14.454 -10.640 1.00 14.11 H new ATOM 0 HB3 GLU A 67 7.976 -15.627 -11.631 1.00 14.11 H new ATOM 0 HG2 GLU A 67 6.665 -13.154 -12.736 1.00 31.24 H new ATOM 0 HG3 GLU A 67 8.336 -13.217 -12.214 1.00 31.24 H new ATOM 1102 N GLN A 68 5.370 -16.189 -9.701 1.00 3.33 N ATOM 1103 CA GLN A 68 5.178 -17.062 -8.577 1.00 74.34 C ATOM 1104 C GLN A 68 4.141 -18.140 -8.860 1.00 5.43 C ATOM 1105 O GLN A 68 4.429 -19.295 -8.645 1.00 31.21 O ATOM 1106 CB GLN A 68 4.860 -16.304 -7.280 1.00 42.44 C ATOM 1107 CG GLN A 68 5.953 -15.335 -6.856 1.00 54.21 C ATOM 1108 CD GLN A 68 5.699 -14.704 -5.505 1.00 44.13 C ATOM 1109 OE1 GLN A 68 5.066 -13.650 -5.395 1.00 71.21 O ATOM 1110 NE2 GLN A 68 6.196 -15.337 -4.472 1.00 30.41 N ATOM 0 H GLN A 68 5.237 -15.200 -9.490 1.00 3.33 H new ATOM 0 HA GLN A 68 6.134 -17.561 -8.420 1.00 74.34 H new ATOM 0 HB2 GLN A 68 3.929 -15.753 -7.410 1.00 42.44 H new ATOM 0 HB3 GLN A 68 4.695 -17.025 -6.479 1.00 42.44 H new ATOM 0 HG2 GLN A 68 6.907 -15.862 -6.830 1.00 54.21 H new ATOM 0 HG3 GLN A 68 6.044 -14.549 -7.606 1.00 54.21 H new ATOM 0 HE21 GLN A 68 6.713 -16.206 -4.607 1.00 30.41 H new ATOM 0 HE22 GLN A 68 6.066 -14.961 -3.533 1.00 30.41 H new ATOM 1119 N GLU A 69 2.954 -17.780 -9.384 1.00 35.02 N ATOM 1120 CA GLU A 69 1.942 -18.817 -9.642 1.00 60.21 C ATOM 1121 C GLU A 69 2.288 -19.666 -10.870 1.00 31.12 C ATOM 1122 O GLU A 69 2.011 -20.875 -10.898 1.00 52.33 O ATOM 1123 CB GLU A 69 0.498 -18.296 -9.765 1.00 63.05 C ATOM 1124 CG GLU A 69 0.205 -17.433 -10.979 1.00 15.42 C ATOM 1125 CD GLU A 69 -1.281 -17.250 -11.181 1.00 35.54 C ATOM 1126 OE1 GLU A 69 -1.913 -18.136 -11.799 1.00 3.21 O ATOM 1127 OE2 GLU A 69 -1.838 -16.259 -10.714 1.00 51.22 O ATOM 0 H GLU A 69 2.682 -16.827 -9.626 1.00 35.02 H new ATOM 0 HA GLU A 69 1.973 -19.437 -8.746 1.00 60.21 H new ATOM 0 HB2 GLU A 69 -0.176 -19.152 -9.781 1.00 63.05 H new ATOM 0 HB3 GLU A 69 0.262 -17.721 -8.869 1.00 63.05 H new ATOM 0 HG2 GLU A 69 0.680 -16.459 -10.858 1.00 15.42 H new ATOM 0 HG3 GLU A 69 0.640 -17.892 -11.867 1.00 15.42 H new