USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 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 55 THR OG1 : rot -77:sc= 2.32 USER MOD Set 1.2: A 57 SER OG : rot -51:sc= 1.22 USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.334 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.0268 USER MOD Single : A 1 MET CE :methyl -173:sc= 0 (180deg=-0.0266) USER MOD Single : A 1 MET N :NH3+ 162:sc= 1.01 (180deg=0.964) USER MOD Single : A 2 GLN : amide:sc= -0.0393 X(o=-0.039,f=-0.039) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -148:sc= 1.2 (180deg=0.361) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00581 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.516 USER MOD Single : A 25 ASN : amide:sc= -0.0398 K(o=-0.04,f=-0.65) USER MOD Single : A 27 LYS NZ :NH3+ -175:sc= 1.22 (180deg=1.2) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 33 LYS NZ :NH3+ 169:sc= 1.32 (180deg=1.22) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 41 GLN : amide:sc= 0.0626 K(o=0.063,f=-3.4!) USER MOD Single : A 48 LYS NZ :NH3+ 166:sc= -0.106 (180deg=-0.442) USER MOD Single : A 49 GLN : amide:sc= 1.11 K(o=1.1,f=-5.5!) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.549 USER MOD Single : A 60 ASN : amide:sc= -0.32 X(o=-0.32,f=-0.0029) USER MOD Single : A 62 GLN : amide:sc= -0.0679 X(o=-0.068,f=-0.068) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0.483 (180deg=0.483) USER MOD Single : A 65 SER OG : rot -114:sc= 1.83 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.222 X(o=-0.22,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.718 -4.152 -3.550 1.00 0.78 N ATOM 2 CA MET A 1 12.539 -4.908 -2.292 1.00 0.70 C ATOM 3 C MET A 1 11.206 -5.572 -2.253 1.00 0.62 C ATOM 4 O MET A 1 10.304 -5.169 -2.986 1.00 0.68 O ATOM 5 CB MET A 1 12.853 -4.020 -1.076 1.00 0.75 C ATOM 6 CG MET A 1 11.830 -2.906 -0.849 1.00 0.79 C ATOM 7 SD MET A 1 12.228 -1.742 0.490 1.00 1.10 S ATOM 8 CE MET A 1 10.913 -0.545 0.124 1.00 0.84 C ATOM 0 H1 MET A 1 13.492 -3.466 -3.436 1.00 0.78 H new ATOM 0 H2 MET A 1 12.950 -4.811 -4.321 1.00 0.78 H new ATOM 0 H3 MET A 1 11.839 -3.647 -3.779 1.00 0.78 H new ATOM 0 HA MET A 1 13.261 -5.723 -2.249 1.00 0.70 H new ATOM 0 HB2 MET A 1 12.901 -4.644 -0.184 1.00 0.75 H new ATOM 0 HB3 MET A 1 13.839 -3.575 -1.207 1.00 0.75 H new ATOM 0 HG2 MET A 1 11.720 -2.343 -1.776 1.00 0.79 H new ATOM 0 HG3 MET A 1 10.863 -3.362 -0.636 1.00 0.79 H new ATOM 0 HE1 MET A 1 11.037 0.336 0.754 1.00 0.84 H new ATOM 0 HE2 MET A 1 10.969 -0.252 -0.924 1.00 0.84 H new ATOM 0 HE3 MET A 1 9.942 -0.999 0.323 1.00 0.84 H new ATOM 20 N GLN A 2 10.989 -6.570 -1.379 1.00 0.59 N ATOM 21 CA GLN A 2 9.737 -7.262 -1.384 1.00 0.56 C ATOM 22 C GLN A 2 9.004 -6.923 -0.132 1.00 0.50 C ATOM 23 O GLN A 2 9.447 -7.247 0.969 1.00 0.60 O ATOM 24 CB GLN A 2 10.044 -8.769 -1.386 1.00 0.71 C ATOM 25 CG GLN A 2 8.827 -9.683 -1.222 1.00 1.15 C ATOM 26 CD GLN A 2 8.938 -11.090 -1.791 1.00 1.30 C ATOM 27 OE1 GLN A 2 9.129 -11.212 -3.000 1.00 1.87 O ATOM 28 NE2 GLN A 2 8.650 -12.158 -0.998 1.00 1.72 N ATOM 0 H GLN A 2 11.662 -6.893 -0.684 1.00 0.59 H new ATOM 0 HA GLN A 2 9.137 -6.986 -2.251 1.00 0.56 H new ATOM 0 HB2 GLN A 2 10.543 -9.020 -2.322 1.00 0.71 H new ATOM 0 HB3 GLN A 2 10.748 -8.981 -0.582 1.00 0.71 H new ATOM 0 HG2 GLN A 2 8.606 -9.764 -0.158 1.00 1.15 H new ATOM 0 HG3 GLN A 2 7.972 -9.195 -1.689 1.00 1.15 H new ATOM 0 HE21 GLN A 2 8.497 -12.024 0.002 1.00 1.72 H new ATOM 0 HE22 GLN A 2 8.587 -13.092 -1.403 1.00 1.72 H new ATOM 37 N ILE A 3 7.825 -6.285 -0.243 1.00 0.44 N ATOM 38 CA ILE A 3 7.020 -5.869 0.863 1.00 0.42 C ATOM 39 C ILE A 3 5.718 -6.590 0.941 1.00 0.40 C ATOM 40 O ILE A 3 5.213 -7.044 -0.085 1.00 0.50 O ATOM 41 CB ILE A 3 6.714 -4.404 0.958 1.00 0.48 C ATOM 42 CG1 ILE A 3 5.963 -3.801 -0.241 1.00 0.55 C ATOM 43 CG2 ILE A 3 8.070 -3.737 1.248 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.221 -2.504 0.078 1.00 0.72 C ATOM 0 H ILE A 3 7.414 -6.048 -1.146 1.00 0.44 H new ATOM 0 HA ILE A 3 7.673 -6.125 1.697 1.00 0.42 H new ATOM 0 HB ILE A 3 5.990 -4.220 1.752 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.675 -3.612 -1.045 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.248 -4.534 -0.615 1.00 0.55 H new ATOM 0 HG21 ILE A 3 7.934 -2.659 1.333 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.475 -4.126 2.182 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.763 -3.953 0.435 1.00 0.61 H new ATOM 0 HD11 ILE A 3 4.717 -2.143 -0.819 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.483 -2.689 0.859 1.00 0.72 H new ATOM 0 HD13 ILE A 3 5.932 -1.753 0.422 1.00 0.72 H new ATOM 56 N PHE A 4 5.035 -6.646 2.098 1.00 0.37 N ATOM 57 CA PHE A 4 3.740 -7.254 2.095 1.00 0.38 C ATOM 58 C PHE A 4 2.791 -6.136 2.356 1.00 0.39 C ATOM 59 O PHE A 4 3.092 -5.131 2.997 1.00 0.60 O ATOM 60 CB PHE A 4 3.499 -8.288 3.207 1.00 0.45 C ATOM 61 CG PHE A 4 4.437 -9.442 3.118 1.00 0.51 C ATOM 62 CD1 PHE A 4 4.780 -9.975 1.897 1.00 1.16 C ATOM 63 CD2 PHE A 4 4.851 -10.101 4.252 1.00 1.30 C ATOM 64 CE1 PHE A 4 5.480 -11.154 1.788 1.00 1.23 C ATOM 65 CE2 PHE A 4 5.532 -11.293 4.176 1.00 1.40 C ATOM 66 CZ PHE A 4 5.828 -11.818 2.940 1.00 0.85 C ATOM 0 H PHE A 4 5.359 -6.289 2.997 1.00 0.37 H new ATOM 0 HA PHE A 4 3.623 -7.782 1.149 1.00 0.38 H new ATOM 0 HB2 PHE A 4 3.610 -7.806 4.178 1.00 0.45 H new ATOM 0 HB3 PHE A 4 2.473 -8.651 3.147 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.491 -9.452 0.997 1.00 1.16 H new ATOM 0 HD2 PHE A 4 4.637 -9.674 5.221 1.00 1.30 H new ATOM 0 HE1 PHE A 4 5.750 -11.549 0.820 1.00 1.23 H new ATOM 0 HE2 PHE A 4 5.831 -11.810 5.076 1.00 1.40 H new ATOM 0 HZ PHE A 4 6.341 -12.766 2.874 1.00 0.85 H new ATOM 76 N VAL A 5 1.628 -6.332 1.709 1.00 0.35 N ATOM 77 CA VAL A 5 0.445 -5.536 1.812 1.00 0.35 C ATOM 78 C VAL A 5 -0.669 -6.356 2.364 1.00 0.35 C ATOM 79 O VAL A 5 -1.129 -7.261 1.670 1.00 0.46 O ATOM 80 CB VAL A 5 0.125 -4.907 0.487 1.00 0.44 C ATOM 81 CG1 VAL A 5 -0.928 -3.802 0.668 1.00 0.58 C ATOM 82 CG2 VAL A 5 1.329 -4.227 -0.188 1.00 0.56 C ATOM 0 H VAL A 5 1.507 -7.111 1.062 1.00 0.35 H new ATOM 0 HA VAL A 5 0.605 -4.714 2.510 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.220 -5.731 -0.137 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.153 -3.352 -0.299 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -1.837 -4.231 1.089 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -0.541 -3.038 1.342 1.00 0.58 H new ATOM 0 HG21 VAL A 5 1.017 -3.797 -1.140 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.711 -3.438 0.459 1.00 0.56 H new ATOM 0 HG23 VAL A 5 2.113 -4.964 -0.362 1.00 0.56 H new ATOM 92 N LYS A 6 -1.203 -6.077 3.567 1.00 0.36 N ATOM 93 CA LYS A 6 -2.328 -6.784 4.093 1.00 0.39 C ATOM 94 C LYS A 6 -3.593 -6.089 3.727 1.00 0.46 C ATOM 95 O LYS A 6 -3.761 -4.908 4.030 1.00 0.53 O ATOM 96 CB LYS A 6 -2.265 -6.893 5.626 1.00 0.54 C ATOM 97 CG LYS A 6 -1.080 -7.796 5.974 1.00 1.22 C ATOM 98 CD LYS A 6 -0.925 -8.120 7.462 1.00 1.37 C ATOM 99 CE LYS A 6 -2.063 -8.763 8.256 1.00 1.93 C ATOM 100 NZ LYS A 6 -2.006 -8.426 9.696 1.00 2.09 N ATOM 0 H LYS A 6 -0.847 -5.348 4.185 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.304 -7.785 3.663 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -2.141 -5.908 6.076 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -3.193 -7.309 6.019 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -1.182 -8.731 5.423 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -0.165 -7.318 5.625 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -0.060 -8.777 7.556 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -0.673 -7.187 7.966 1.00 1.37 H new ATOM 0 HE2 LYS A 6 -3.019 -8.436 7.846 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -2.019 -9.846 8.137 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 -2.797 -8.885 10.191 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -1.106 -8.761 10.096 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 -2.075 -7.395 9.814 1.00 2.09 H new ATOM 114 N THR A 7 -4.599 -6.813 3.204 1.00 0.58 N ATOM 115 CA THR A 7 -5.893 -6.276 2.913 1.00 0.78 C ATOM 116 C THR A 7 -6.776 -6.243 4.112 1.00 0.94 C ATOM 117 O THR A 7 -6.498 -6.654 5.238 1.00 0.99 O ATOM 118 CB THR A 7 -6.714 -6.814 1.779 1.00 0.90 C ATOM 119 OG1 THR A 7 -7.182 -8.141 1.969 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.843 -6.875 0.513 1.00 0.92 C ATOM 0 H THR A 7 -4.510 -7.803 2.976 1.00 0.58 H new ATOM 0 HA THR A 7 -5.568 -5.295 2.565 1.00 0.78 H new ATOM 0 HB THR A 7 -7.569 -6.142 1.706 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.708 -8.417 1.190 1.00 0.90 H new ATOM 0 HG21 THR A 7 -6.433 -7.265 -0.316 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.489 -5.874 0.267 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.989 -7.529 0.690 1.00 0.92 H new ATOM 128 N LEU A 8 -7.956 -5.632 3.911 1.00 1.17 N ATOM 129 CA LEU A 8 -9.066 -5.563 4.809 1.00 1.39 C ATOM 130 C LEU A 8 -9.662 -6.846 5.278 1.00 1.44 C ATOM 131 O LEU A 8 -9.815 -7.175 6.454 1.00 1.60 O ATOM 132 CB LEU A 8 -10.183 -4.735 4.152 1.00 1.66 C ATOM 133 CG LEU A 8 -11.405 -4.524 5.062 1.00 2.11 C ATOM 134 CD1 LEU A 8 -11.029 -3.456 6.102 1.00 2.53 C ATOM 135 CD2 LEU A 8 -12.613 -3.946 4.306 1.00 2.43 C ATOM 0 H LEU A 8 -8.149 -5.141 3.038 1.00 1.17 H new ATOM 0 HA LEU A 8 -8.642 -5.114 5.707 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -9.782 -3.763 3.863 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.503 -5.233 3.236 1.00 1.66 H new ATOM 0 HG LEU A 8 -11.668 -5.494 5.485 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -11.875 -3.281 6.766 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -10.175 -3.801 6.685 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -10.769 -2.528 5.593 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -13.447 -3.818 4.996 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -12.345 -2.981 3.877 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -12.904 -4.630 3.509 1.00 2.43 H new ATOM 147 N THR A 9 -9.882 -7.714 4.274 1.00 1.41 N ATOM 148 CA THR A 9 -10.549 -8.976 4.352 1.00 1.51 C ATOM 149 C THR A 9 -9.583 -10.043 4.741 1.00 1.37 C ATOM 150 O THR A 9 -9.986 -11.160 5.061 1.00 1.62 O ATOM 151 CB THR A 9 -11.264 -9.261 3.065 1.00 1.65 C ATOM 152 OG1 THR A 9 -10.424 -9.099 1.932 1.00 1.89 O ATOM 153 CG2 THR A 9 -12.441 -8.280 2.932 1.00 2.08 C ATOM 0 H THR A 9 -9.564 -7.513 3.326 1.00 1.41 H new ATOM 0 HA THR A 9 -11.311 -8.949 5.131 1.00 1.51 H new ATOM 0 HB THR A 9 -11.598 -10.298 3.094 1.00 1.65 H new ATOM 0 HG1 THR A 9 -10.932 -9.297 1.117 1.00 1.89 H new ATOM 0 HG21 THR A 9 -12.972 -8.474 2.000 1.00 2.08 H new ATOM 0 HG22 THR A 9 -13.122 -8.413 3.773 1.00 2.08 H new ATOM 0 HG23 THR A 9 -12.064 -7.257 2.929 1.00 2.08 H new ATOM 161 N GLY A 10 -8.269 -9.765 4.802 1.00 1.18 N ATOM 162 CA GLY A 10 -7.148 -10.470 5.343 1.00 1.22 C ATOM 163 C GLY A 10 -6.240 -11.198 4.413 1.00 0.99 C ATOM 164 O GLY A 10 -5.650 -12.210 4.792 1.00 1.31 O ATOM 0 H GLY A 10 -7.945 -8.887 4.397 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -6.544 -9.753 5.899 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -7.530 -11.193 6.064 1.00 1.22 H new ATOM 168 N LYS A 11 -6.055 -10.762 3.155 1.00 0.73 N ATOM 169 CA LYS A 11 -5.267 -11.445 2.176 1.00 0.60 C ATOM 170 C LYS A 11 -4.016 -10.648 2.044 1.00 0.51 C ATOM 171 O LYS A 11 -4.053 -9.428 1.889 1.00 0.63 O ATOM 172 CB LYS A 11 -6.032 -11.462 0.841 1.00 0.75 C ATOM 173 CG LYS A 11 -5.354 -12.276 -0.263 1.00 0.87 C ATOM 174 CD LYS A 11 -6.178 -12.150 -1.547 1.00 1.04 C ATOM 175 CE LYS A 11 -5.884 -13.244 -2.574 1.00 1.30 C ATOM 176 NZ LYS A 11 -4.651 -12.868 -3.301 1.00 1.40 N ATOM 0 H LYS A 11 -6.471 -9.899 2.805 1.00 0.73 H new ATOM 0 HA LYS A 11 -5.053 -12.476 2.456 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -7.030 -11.865 1.013 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -6.158 -10.436 0.495 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -4.339 -11.915 -0.429 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -5.275 -13.322 0.034 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -7.238 -12.178 -1.293 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -5.984 -11.177 -1.999 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -5.756 -14.207 -2.079 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -6.718 -13.350 -3.268 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -4.703 -13.219 -4.278 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -4.555 -11.832 -3.310 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -3.826 -13.288 -2.826 1.00 1.40 H new ATOM 190 N THR A 12 -2.878 -11.363 2.047 1.00 0.49 N ATOM 191 CA THR A 12 -1.595 -10.730 2.066 1.00 0.48 C ATOM 192 C THR A 12 -0.961 -10.814 0.720 1.00 0.52 C ATOM 193 O THR A 12 -0.666 -11.898 0.221 1.00 0.72 O ATOM 194 CB THR A 12 -0.607 -11.365 3.000 1.00 0.64 C ATOM 195 OG1 THR A 12 -1.304 -11.539 4.225 1.00 0.77 O ATOM 196 CG2 THR A 12 0.525 -10.332 3.130 1.00 0.78 C ATOM 0 H THR A 12 -2.845 -12.382 2.036 1.00 0.49 H new ATOM 0 HA THR A 12 -1.802 -9.710 2.391 1.00 0.48 H new ATOM 0 HB THR A 12 -0.199 -12.324 2.680 1.00 0.64 H new ATOM 0 HG1 THR A 12 -0.709 -11.955 4.884 1.00 0.77 H new ATOM 0 HG21 THR A 12 1.294 -10.717 3.799 1.00 0.78 H new ATOM 0 HG22 THR A 12 0.959 -10.143 2.148 1.00 0.78 H new ATOM 0 HG23 THR A 12 0.125 -9.403 3.535 1.00 0.78 H new ATOM 204 N ILE A 13 -0.708 -9.626 0.142 1.00 0.48 N ATOM 205 CA ILE A 13 -0.179 -9.456 -1.176 1.00 0.55 C ATOM 206 C ILE A 13 1.280 -9.161 -1.105 1.00 0.51 C ATOM 207 O ILE A 13 1.683 -8.238 -0.397 1.00 0.56 O ATOM 208 CB ILE A 13 -0.897 -8.391 -1.949 1.00 0.69 C ATOM 209 CG1 ILE A 13 -2.389 -8.327 -1.582 1.00 1.15 C ATOM 210 CG2 ILE A 13 -0.637 -8.406 -3.465 1.00 1.13 C ATOM 211 CD1 ILE A 13 -3.132 -7.132 -2.176 1.00 1.55 C ATOM 0 H ILE A 13 -0.881 -8.740 0.618 1.00 0.48 H new ATOM 0 HA ILE A 13 -0.333 -10.392 -1.713 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.450 -7.450 -1.628 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.873 -9.244 -1.917 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.483 -8.295 -0.497 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -1.198 -7.600 -3.938 1.00 1.13 H new ATOM 0 HG22 ILE A 13 0.427 -8.266 -3.653 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -0.956 -9.362 -3.879 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -4.177 -7.164 -1.868 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.677 -6.207 -1.821 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -3.073 -7.171 -3.264 1.00 1.55 H new ATOM 223 N THR A 14 2.023 -9.948 -1.903 1.00 0.55 N ATOM 224 CA THR A 14 3.427 -9.675 -1.907 1.00 0.54 C ATOM 225 C THR A 14 3.654 -8.653 -2.967 1.00 0.55 C ATOM 226 O THR A 14 3.347 -8.887 -4.135 1.00 0.72 O ATOM 227 CB THR A 14 4.189 -10.888 -2.352 1.00 0.67 C ATOM 228 OG1 THR A 14 4.098 -12.079 -1.583 1.00 1.08 O ATOM 229 CG2 THR A 14 5.695 -10.589 -2.432 1.00 1.03 C ATOM 0 H THR A 14 1.693 -10.709 -2.497 1.00 0.55 H new ATOM 0 HA THR A 14 3.745 -9.365 -0.912 1.00 0.54 H new ATOM 0 HB THR A 14 3.696 -11.087 -3.303 1.00 0.67 H new ATOM 0 HG1 THR A 14 4.645 -12.779 -1.997 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.227 -11.483 -2.757 1.00 1.03 H new ATOM 0 HG22 THR A 14 5.869 -9.784 -3.146 1.00 1.03 H new ATOM 0 HG23 THR A 14 6.059 -10.287 -1.450 1.00 1.03 H new ATOM 237 N LEU A 15 4.231 -7.477 -2.659 1.00 0.50 N ATOM 238 CA LEU A 15 4.419 -6.489 -3.675 1.00 0.55 C ATOM 239 C LEU A 15 5.872 -6.172 -3.767 1.00 0.52 C ATOM 240 O LEU A 15 6.528 -5.938 -2.754 1.00 0.58 O ATOM 241 CB LEU A 15 3.652 -5.249 -3.184 1.00 0.69 C ATOM 242 CG LEU A 15 3.272 -4.314 -4.344 1.00 0.76 C ATOM 243 CD1 LEU A 15 2.203 -4.946 -5.253 1.00 1.38 C ATOM 244 CD2 LEU A 15 2.773 -2.971 -3.782 1.00 1.55 C ATOM 0 H LEU A 15 4.560 -7.214 -1.730 1.00 0.50 H new ATOM 0 HA LEU A 15 4.070 -6.820 -4.653 1.00 0.55 H new ATOM 0 HB2 LEU A 15 2.749 -5.564 -2.661 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.264 -4.705 -2.464 1.00 0.69 H new ATOM 0 HG LEU A 15 4.160 -4.146 -4.953 1.00 0.76 H new ATOM 0 HD11 LEU A 15 1.959 -4.257 -6.062 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.586 -5.876 -5.672 1.00 1.38 H new ATOM 0 HD13 LEU A 15 1.306 -5.153 -4.670 1.00 1.38 H new ATOM 0 HD21 LEU A 15 2.504 -2.309 -4.605 1.00 1.55 H new ATOM 0 HD22 LEU A 15 1.899 -3.142 -3.153 1.00 1.55 H new ATOM 0 HD23 LEU A 15 3.562 -2.509 -3.188 1.00 1.55 H new ATOM 256 N GLU A 16 6.495 -6.082 -4.955 1.00 0.59 N ATOM 257 CA GLU A 16 7.829 -5.666 -5.256 1.00 0.63 C ATOM 258 C GLU A 16 8.015 -4.232 -5.612 1.00 0.65 C ATOM 259 O GLU A 16 7.775 -3.831 -6.751 1.00 0.81 O ATOM 260 CB GLU A 16 8.509 -6.638 -6.235 1.00 0.76 C ATOM 261 CG GLU A 16 9.204 -7.835 -5.581 1.00 1.41 C ATOM 262 CD GLU A 16 10.109 -8.499 -6.608 1.00 1.52 C ATOM 263 OE1 GLU A 16 11.127 -7.896 -7.040 1.00 1.92 O ATOM 264 OE2 GLU A 16 9.864 -9.703 -6.888 1.00 1.95 O ATOM 0 H GLU A 16 5.997 -6.334 -5.809 1.00 0.59 H new ATOM 0 HA GLU A 16 8.354 -5.723 -4.303 1.00 0.63 H new ATOM 0 HB2 GLU A 16 7.759 -7.010 -6.934 1.00 0.76 H new ATOM 0 HB3 GLU A 16 9.244 -6.085 -6.820 1.00 0.76 H new ATOM 0 HG2 GLU A 16 9.787 -7.508 -4.720 1.00 1.41 H new ATOM 0 HG3 GLU A 16 8.464 -8.546 -5.214 1.00 1.41 H new ATOM 271 N VAL A 17 8.471 -3.463 -4.607 1.00 0.61 N ATOM 272 CA VAL A 17 8.664 -2.046 -4.608 1.00 0.63 C ATOM 273 C VAL A 17 10.096 -1.661 -4.460 1.00 0.65 C ATOM 274 O VAL A 17 10.933 -2.363 -3.894 1.00 0.76 O ATOM 275 CB VAL A 17 7.913 -1.435 -3.464 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.394 -1.517 -3.687 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.356 -2.043 -2.122 1.00 0.92 C ATOM 0 H VAL A 17 8.728 -3.875 -3.710 1.00 0.61 H new ATOM 0 HA VAL A 17 8.302 -1.684 -5.570 1.00 0.63 H new ATOM 0 HB VAL A 17 8.159 -0.374 -3.419 1.00 0.70 H new ATOM 0 HG11 VAL A 17 5.877 -1.066 -2.840 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.131 -0.982 -4.600 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.096 -2.561 -3.779 1.00 0.96 H new ATOM 0 HG21 VAL A 17 7.794 -1.581 -1.310 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.167 -3.116 -2.129 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.421 -1.863 -1.975 1.00 0.92 H new ATOM 287 N GLU A 18 10.460 -0.512 -5.054 1.00 0.68 N ATOM 288 CA GLU A 18 11.732 0.077 -4.771 1.00 0.74 C ATOM 289 C GLU A 18 11.476 1.226 -3.858 1.00 0.71 C ATOM 290 O GLU A 18 10.332 1.674 -3.799 1.00 0.74 O ATOM 291 CB GLU A 18 12.414 0.626 -6.035 1.00 0.88 C ATOM 292 CG GLU A 18 12.774 -0.471 -7.039 1.00 1.16 C ATOM 293 CD GLU A 18 13.739 -1.495 -6.457 1.00 1.71 C ATOM 294 OE1 GLU A 18 14.886 -1.051 -6.181 1.00 2.33 O ATOM 295 OE2 GLU A 18 13.441 -2.710 -6.311 1.00 2.35 O ATOM 0 H GLU A 18 9.885 0.003 -5.720 1.00 0.68 H new ATOM 0 HA GLU A 18 12.386 -0.681 -4.340 1.00 0.74 H new ATOM 0 HB2 GLU A 18 11.753 1.348 -6.514 1.00 0.88 H new ATOM 0 HB3 GLU A 18 13.319 1.162 -5.750 1.00 0.88 H new ATOM 0 HG2 GLU A 18 11.864 -0.976 -7.363 1.00 1.16 H new ATOM 0 HG3 GLU A 18 13.220 -0.018 -7.924 1.00 1.16 H new ATOM 302 N PRO A 19 12.401 1.837 -3.179 1.00 0.74 N ATOM 303 CA PRO A 19 12.118 2.838 -2.191 1.00 0.74 C ATOM 304 C PRO A 19 11.845 4.115 -2.908 1.00 0.70 C ATOM 305 O PRO A 19 11.240 5.038 -2.365 1.00 0.74 O ATOM 306 CB PRO A 19 13.313 2.904 -1.243 1.00 0.86 C ATOM 307 CG PRO A 19 14.479 2.346 -2.074 1.00 0.95 C ATOM 308 CD PRO A 19 13.757 1.345 -2.990 1.00 0.82 C ATOM 0 HA PRO A 19 11.240 2.615 -1.586 1.00 0.74 H new ATOM 0 HB2 PRO A 19 13.508 3.926 -0.917 1.00 0.86 H new ATOM 0 HB3 PRO A 19 13.143 2.310 -0.345 1.00 0.86 H new ATOM 0 HG2 PRO A 19 14.988 3.126 -2.640 1.00 0.95 H new ATOM 0 HG3 PRO A 19 15.231 1.862 -1.451 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.272 1.258 -3.947 1.00 0.82 H new ATOM 0 HD3 PRO A 19 13.747 0.351 -2.542 1.00 0.82 H new ATOM 316 N SER A 20 12.278 4.267 -4.173 1.00 0.70 N ATOM 317 CA SER A 20 12.015 5.427 -4.967 1.00 0.74 C ATOM 318 C SER A 20 10.711 5.442 -5.689 1.00 0.71 C ATOM 319 O SER A 20 10.375 6.480 -6.254 1.00 0.80 O ATOM 320 CB SER A 20 13.100 5.546 -6.051 1.00 0.89 C ATOM 321 OG SER A 20 13.235 4.368 -6.831 1.00 1.45 O ATOM 0 H SER A 20 12.829 3.559 -4.659 1.00 0.70 H new ATOM 0 HA SER A 20 11.999 6.247 -4.249 1.00 0.74 H new ATOM 0 HB2 SER A 20 12.861 6.384 -6.706 1.00 0.89 H new ATOM 0 HB3 SER A 20 14.055 5.774 -5.578 1.00 0.89 H new ATOM 0 HG SER A 20 13.935 4.500 -7.504 1.00 1.45 H new ATOM 327 N ASP A 21 9.893 4.386 -5.532 1.00 0.70 N ATOM 328 CA ASP A 21 8.563 4.299 -6.051 1.00 0.73 C ATOM 329 C ASP A 21 7.651 5.217 -5.313 1.00 0.64 C ATOM 330 O ASP A 21 7.943 5.578 -4.174 1.00 0.66 O ATOM 331 CB ASP A 21 8.043 2.852 -6.046 1.00 0.87 C ATOM 332 CG ASP A 21 8.700 2.107 -7.200 1.00 1.05 C ATOM 333 OD1 ASP A 21 8.557 2.479 -8.395 1.00 1.50 O ATOM 334 OD2 ASP A 21 9.231 1.003 -6.907 1.00 1.69 O ATOM 0 H ASP A 21 10.173 3.551 -5.017 1.00 0.70 H new ATOM 0 HA ASP A 21 8.588 4.618 -7.093 1.00 0.73 H new ATOM 0 HB2 ASP A 21 8.277 2.367 -5.098 1.00 0.87 H new ATOM 0 HB3 ASP A 21 6.958 2.837 -6.152 1.00 0.87 H new ATOM 339 N THR A 22 6.586 5.703 -5.974 1.00 0.63 N ATOM 340 CA THR A 22 5.515 6.448 -5.387 1.00 0.58 C ATOM 341 C THR A 22 4.483 5.539 -4.813 1.00 0.53 C ATOM 342 O THR A 22 4.316 4.392 -5.223 1.00 0.58 O ATOM 343 CB THR A 22 4.802 7.427 -6.273 1.00 0.63 C ATOM 344 OG1 THR A 22 4.242 6.876 -7.456 1.00 0.70 O ATOM 345 CG2 THR A 22 5.901 8.432 -6.654 1.00 0.75 C ATOM 0 H THR A 22 6.465 5.568 -6.978 1.00 0.63 H new ATOM 0 HA THR A 22 6.031 7.037 -4.629 1.00 0.58 H new ATOM 0 HB THR A 22 3.945 7.844 -5.744 1.00 0.63 H new ATOM 0 HG1 THR A 22 3.798 7.584 -7.968 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.483 9.198 -7.307 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.295 8.900 -5.752 1.00 0.75 H new ATOM 0 HG23 THR A 22 6.705 7.912 -7.174 1.00 0.75 H new ATOM 353 N ILE A 23 3.608 6.166 -4.008 1.00 0.51 N ATOM 354 CA ILE A 23 2.471 5.471 -3.488 1.00 0.48 C ATOM 355 C ILE A 23 1.350 5.221 -4.436 1.00 0.48 C ATOM 356 O ILE A 23 0.765 4.138 -4.455 1.00 0.51 O ATOM 357 CB ILE A 23 2.013 6.198 -2.258 1.00 0.52 C ATOM 358 CG1 ILE A 23 3.099 6.255 -1.171 1.00 0.60 C ATOM 359 CG2 ILE A 23 0.692 5.644 -1.698 1.00 0.61 C ATOM 360 CD1 ILE A 23 3.622 4.917 -0.650 1.00 0.73 C ATOM 0 H ILE A 23 3.685 7.141 -3.720 1.00 0.51 H new ATOM 0 HA ILE A 23 2.803 4.458 -3.260 1.00 0.48 H new ATOM 0 HB ILE A 23 1.819 7.222 -2.577 1.00 0.52 H new ATOM 0 HG12 ILE A 23 3.944 6.820 -1.564 1.00 0.60 H new ATOM 0 HG13 ILE A 23 2.704 6.818 -0.325 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.409 6.208 -0.809 1.00 0.61 H new ATOM 0 HG22 ILE A 23 -0.090 5.738 -2.451 1.00 0.61 H new ATOM 0 HG23 ILE A 23 0.820 4.594 -1.436 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.382 5.095 0.111 1.00 0.73 H new ATOM 0 HD12 ILE A 23 2.799 4.349 -0.215 1.00 0.73 H new ATOM 0 HD13 ILE A 23 4.058 4.351 -1.473 1.00 0.73 H new ATOM 372 N GLU A 24 1.077 6.163 -5.357 1.00 0.50 N ATOM 373 CA GLU A 24 0.287 5.972 -6.533 1.00 0.53 C ATOM 374 C GLU A 24 0.559 4.794 -7.404 1.00 0.50 C ATOM 375 O GLU A 24 -0.334 4.034 -7.777 1.00 0.55 O ATOM 376 CB GLU A 24 0.273 7.269 -7.358 1.00 0.64 C ATOM 377 CG GLU A 24 -0.764 7.346 -8.480 1.00 0.95 C ATOM 378 CD GLU A 24 -0.923 8.706 -9.143 1.00 1.05 C ATOM 379 OE1 GLU A 24 0.015 9.157 -9.854 1.00 1.56 O ATOM 380 OE2 GLU A 24 -1.968 9.380 -8.936 1.00 1.62 O ATOM 0 H GLU A 24 1.430 7.116 -5.274 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.694 5.720 -6.130 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.105 8.105 -6.679 1.00 0.64 H new ATOM 0 HB3 GLU A 24 1.262 7.407 -7.796 1.00 0.64 H new ATOM 0 HG2 GLU A 24 -0.497 6.618 -9.246 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -1.731 7.044 -8.077 1.00 0.95 H new ATOM 387 N ASN A 25 1.855 4.638 -7.724 1.00 0.51 N ATOM 388 CA ASN A 25 2.437 3.543 -8.437 1.00 0.52 C ATOM 389 C ASN A 25 2.209 2.230 -7.770 1.00 0.47 C ATOM 390 O ASN A 25 1.753 1.293 -8.423 1.00 0.53 O ATOM 391 CB ASN A 25 3.933 3.869 -8.583 1.00 0.64 C ATOM 392 CG ASN A 25 4.515 3.109 -9.766 1.00 1.23 C ATOM 393 OD1 ASN A 25 3.904 2.907 -10.814 1.00 2.13 O ATOM 394 ND2 ASN A 25 5.755 2.584 -9.576 1.00 1.57 N ATOM 0 H ASN A 25 2.552 5.335 -7.462 1.00 0.51 H new ATOM 0 HA ASN A 25 1.964 3.432 -9.413 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.068 4.941 -8.726 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.464 3.600 -7.670 1.00 0.64 H new ATOM 0 HD21 ASN A 25 6.186 2.017 -10.306 1.00 1.57 H new ATOM 0 HD22 ASN A 25 6.254 2.757 -8.703 1.00 1.57 H new ATOM 401 N VAL A 26 2.214 2.202 -6.426 1.00 0.45 N ATOM 402 CA VAL A 26 1.954 0.990 -5.712 1.00 0.44 C ATOM 403 C VAL A 26 0.521 0.584 -5.766 1.00 0.40 C ATOM 404 O VAL A 26 0.250 -0.585 -6.037 1.00 0.44 O ATOM 405 CB VAL A 26 2.247 1.178 -4.253 1.00 0.50 C ATOM 406 CG1 VAL A 26 1.365 0.501 -3.190 1.00 0.60 C ATOM 407 CG2 VAL A 26 3.702 0.706 -4.098 1.00 0.62 C ATOM 0 H VAL A 26 2.397 3.013 -5.836 1.00 0.45 H new ATOM 0 HA VAL A 26 2.584 0.235 -6.183 1.00 0.44 H new ATOM 0 HB VAL A 26 2.034 2.225 -4.036 1.00 0.50 H new ATOM 0 HG11 VAL A 26 1.734 0.755 -2.196 1.00 0.60 H new ATOM 0 HG12 VAL A 26 0.337 0.848 -3.295 1.00 0.60 H new ATOM 0 HG13 VAL A 26 1.398 -0.580 -3.324 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.008 0.807 -3.057 1.00 0.62 H new ATOM 0 HG22 VAL A 26 3.780 -0.339 -4.400 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.351 1.315 -4.727 1.00 0.62 H new ATOM 417 N LYS A 27 -0.499 1.457 -5.694 1.00 0.40 N ATOM 418 CA LYS A 27 -1.882 1.178 -5.925 1.00 0.41 C ATOM 419 C LYS A 27 -2.125 0.762 -7.336 1.00 0.38 C ATOM 420 O LYS A 27 -2.991 -0.088 -7.536 1.00 0.42 O ATOM 421 CB LYS A 27 -2.795 2.388 -5.663 1.00 0.51 C ATOM 422 CG LYS A 27 -2.588 2.916 -4.243 1.00 0.76 C ATOM 423 CD LYS A 27 -3.524 4.115 -4.080 1.00 0.82 C ATOM 424 CE LYS A 27 -3.523 4.648 -2.646 1.00 1.22 C ATOM 425 NZ LYS A 27 -4.318 5.865 -2.374 1.00 1.11 N ATOM 0 H LYS A 27 -0.342 2.436 -5.455 1.00 0.40 H new ATOM 0 HA LYS A 27 -2.122 0.378 -5.225 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -2.581 3.176 -6.385 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.837 2.102 -5.803 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.814 2.145 -3.506 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.550 3.211 -4.087 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -3.220 4.909 -4.763 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -4.537 3.825 -4.359 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -3.885 3.855 -1.991 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -2.490 4.849 -2.362 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -4.165 6.167 -1.391 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -4.022 6.625 -3.020 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -5.327 5.660 -2.520 1.00 1.11 H new ATOM 439 N ALA A 28 -1.344 1.262 -8.310 1.00 0.39 N ATOM 440 CA ALA A 28 -1.453 0.834 -9.669 1.00 0.39 C ATOM 441 C ALA A 28 -0.978 -0.568 -9.845 1.00 0.36 C ATOM 442 O ALA A 28 -1.520 -1.339 -10.636 1.00 0.42 O ATOM 443 CB ALA A 28 -0.676 1.777 -10.603 1.00 0.51 C ATOM 0 H ALA A 28 -0.629 1.972 -8.152 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.510 0.867 -9.934 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.773 1.431 -11.632 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -1.080 2.786 -10.519 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.377 1.783 -10.320 1.00 0.51 H new ATOM 449 N LYS A 29 0.016 -0.990 -9.044 1.00 0.39 N ATOM 450 CA LYS A 29 0.427 -2.359 -9.013 1.00 0.43 C ATOM 451 C LYS A 29 -0.564 -3.301 -8.419 1.00 0.44 C ATOM 452 O LYS A 29 -0.632 -4.425 -8.913 1.00 0.54 O ATOM 453 CB LYS A 29 1.775 -2.483 -8.284 1.00 0.54 C ATOM 454 CG LYS A 29 3.004 -1.846 -8.936 1.00 0.65 C ATOM 455 CD LYS A 29 4.114 -1.778 -7.886 1.00 1.08 C ATOM 456 CE LYS A 29 5.445 -1.229 -8.402 1.00 1.24 C ATOM 457 NZ LYS A 29 6.079 -2.001 -9.495 1.00 1.44 N ATOM 0 H LYS A 29 0.538 -0.380 -8.415 1.00 0.39 H new ATOM 0 HA LYS A 29 0.520 -2.659 -10.057 1.00 0.43 H new ATOM 0 HB2 LYS A 29 1.660 -2.047 -7.292 1.00 0.54 H new ATOM 0 HB3 LYS A 29 1.983 -3.544 -8.144 1.00 0.54 H new ATOM 0 HG2 LYS A 29 3.327 -2.434 -9.795 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.766 -0.848 -9.304 1.00 0.65 H new ATOM 0 HD2 LYS A 29 3.775 -1.155 -7.058 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.279 -2.778 -7.486 1.00 1.08 H new ATOM 0 HE2 LYS A 29 5.286 -0.208 -8.749 1.00 1.24 H new ATOM 0 HE3 LYS A 29 6.143 -1.177 -7.567 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.972 -1.545 -9.769 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 6.271 -2.970 -9.170 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 5.440 -2.031 -10.315 1.00 1.44 H new ATOM 471 N ILE A 30 -1.147 -2.909 -7.272 1.00 0.41 N ATOM 472 CA ILE A 30 -2.151 -3.713 -6.649 1.00 0.44 C ATOM 473 C ILE A 30 -3.336 -3.963 -7.516 1.00 0.45 C ATOM 474 O ILE A 30 -3.944 -5.029 -7.609 1.00 0.56 O ATOM 475 CB ILE A 30 -2.513 -3.152 -5.305 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.285 -3.255 -4.384 1.00 0.52 C ATOM 477 CG2 ILE A 30 -3.733 -3.872 -4.709 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.521 -2.784 -2.949 1.00 1.32 C ATOM 0 H ILE A 30 -0.926 -2.043 -6.780 1.00 0.41 H new ATOM 0 HA ILE A 30 -1.721 -4.702 -6.491 1.00 0.44 H new ATOM 0 HB ILE A 30 -2.796 -2.105 -5.410 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -0.951 -4.292 -4.361 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.474 -2.669 -4.816 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -3.969 -3.442 -3.736 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -4.587 -3.753 -5.375 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -3.509 -4.932 -4.593 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -0.601 -2.893 -2.374 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -1.823 -1.737 -2.955 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.307 -3.386 -2.493 1.00 1.32 H new ATOM 490 N GLN A 31 -3.731 -2.977 -8.341 1.00 0.41 N ATOM 491 CA GLN A 31 -4.741 -3.066 -9.347 1.00 0.48 C ATOM 492 C GLN A 31 -4.311 -3.938 -10.476 1.00 0.52 C ATOM 493 O GLN A 31 -5.182 -4.663 -10.955 1.00 0.66 O ATOM 494 CB GLN A 31 -4.814 -1.652 -9.949 1.00 0.52 C ATOM 495 CG GLN A 31 -6.089 -1.456 -10.772 1.00 0.70 C ATOM 496 CD GLN A 31 -5.809 -0.284 -11.702 1.00 0.97 C ATOM 497 OE1 GLN A 31 -4.914 0.558 -11.641 1.00 1.70 O ATOM 498 NE2 GLN A 31 -6.698 -0.112 -12.718 1.00 1.43 N ATOM 0 H GLN A 31 -3.311 -2.048 -8.300 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.664 -3.452 -8.914 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -4.780 -0.913 -9.149 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.942 -1.479 -10.580 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -6.330 -2.355 -11.339 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -6.942 -1.247 -10.127 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -7.470 -0.768 -12.837 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -6.592 0.673 -13.361 1.00 1.43 H new ATOM 507 N ASP A 32 -3.065 -3.919 -10.982 1.00 0.50 N ATOM 508 CA ASP A 32 -2.504 -4.882 -11.879 1.00 0.60 C ATOM 509 C ASP A 32 -2.550 -6.286 -11.381 1.00 0.65 C ATOM 510 O ASP A 32 -3.270 -7.093 -11.965 1.00 0.81 O ATOM 511 CB ASP A 32 -1.096 -4.434 -12.305 1.00 0.67 C ATOM 512 CG ASP A 32 -0.618 -5.228 -13.513 1.00 0.91 C ATOM 513 OD1 ASP A 32 -1.280 -5.140 -14.582 1.00 1.55 O ATOM 514 OD2 ASP A 32 0.427 -5.920 -13.383 1.00 1.51 O ATOM 0 H ASP A 32 -2.404 -3.179 -10.747 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.141 -4.911 -12.763 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -1.105 -3.370 -12.544 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -0.400 -4.569 -11.477 1.00 0.67 H new ATOM 519 N LYS A 33 -1.884 -6.583 -10.251 1.00 0.62 N ATOM 520 CA LYS A 33 -1.790 -7.941 -9.812 1.00 0.73 C ATOM 521 C LYS A 33 -3.024 -8.478 -9.173 1.00 0.69 C ATOM 522 O LYS A 33 -3.383 -9.628 -9.420 1.00 0.83 O ATOM 523 CB LYS A 33 -0.655 -8.508 -8.942 1.00 0.85 C ATOM 524 CG LYS A 33 -0.629 -8.290 -7.428 1.00 1.31 C ATOM 525 CD LYS A 33 0.521 -9.097 -6.823 1.00 1.71 C ATOM 526 CE LYS A 33 1.881 -9.078 -7.524 1.00 2.26 C ATOM 527 NZ LYS A 33 2.850 -9.782 -6.654 1.00 2.62 N ATOM 0 H LYS A 33 -1.420 -5.900 -9.652 1.00 0.62 H new ATOM 0 HA LYS A 33 -1.559 -8.266 -10.826 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -0.635 -9.585 -9.108 1.00 0.85 H new ATOM 0 HB3 LYS A 33 0.279 -8.107 -9.337 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -0.503 -7.231 -7.203 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -1.577 -8.599 -6.988 1.00 1.31 H new ATOM 0 HD2 LYS A 33 0.670 -8.745 -5.802 1.00 1.71 H new ATOM 0 HD3 LYS A 33 0.197 -10.136 -6.758 1.00 1.71 H new ATOM 0 HE2 LYS A 33 1.816 -9.566 -8.496 1.00 2.26 H new ATOM 0 HE3 LYS A 33 2.204 -8.052 -7.703 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 3.732 -9.949 -7.180 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 3.052 -9.199 -5.816 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 2.449 -10.693 -6.354 1.00 2.62 H new ATOM 541 N GLU A 34 -3.623 -7.793 -8.182 1.00 0.63 N ATOM 542 CA GLU A 34 -4.683 -8.338 -7.391 1.00 0.67 C ATOM 543 C GLU A 34 -6.033 -7.926 -7.865 1.00 0.69 C ATOM 544 O GLU A 34 -6.994 -8.677 -8.030 1.00 0.95 O ATOM 545 CB GLU A 34 -4.520 -7.766 -5.973 1.00 0.73 C ATOM 546 CG GLU A 34 -5.380 -8.368 -4.859 1.00 0.83 C ATOM 547 CD GLU A 34 -5.221 -9.872 -4.687 1.00 0.95 C ATOM 548 OE1 GLU A 34 -4.208 -10.328 -4.093 1.00 1.37 O ATOM 549 OE2 GLU A 34 -6.167 -10.657 -4.965 1.00 1.48 O ATOM 0 H GLU A 34 -3.365 -6.840 -7.925 1.00 0.63 H new ATOM 0 HA GLU A 34 -4.620 -9.425 -7.445 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -3.474 -7.876 -5.686 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -4.728 -6.697 -6.017 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -5.130 -7.878 -3.918 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -6.427 -8.147 -5.065 1.00 0.83 H new ATOM 556 N GLY A 35 -6.186 -6.611 -8.098 1.00 0.63 N ATOM 557 CA GLY A 35 -7.416 -6.032 -8.544 1.00 0.68 C ATOM 558 C GLY A 35 -8.285 -5.299 -7.581 1.00 0.76 C ATOM 559 O GLY A 35 -9.413 -5.690 -7.279 1.00 1.12 O ATOM 0 H GLY A 35 -5.435 -5.932 -7.973 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -7.175 -5.343 -9.354 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -8.015 -6.834 -8.976 1.00 0.68 H new ATOM 563 N ILE A 36 -7.764 -4.152 -7.109 1.00 0.70 N ATOM 564 CA ILE A 36 -8.405 -3.324 -6.135 1.00 0.76 C ATOM 565 C ILE A 36 -8.376 -2.009 -6.833 1.00 0.71 C ATOM 566 O ILE A 36 -7.317 -1.683 -7.368 1.00 0.73 O ATOM 567 CB ILE A 36 -7.757 -3.316 -4.783 1.00 0.88 C ATOM 568 CG1 ILE A 36 -7.684 -4.792 -4.356 1.00 0.91 C ATOM 569 CG2 ILE A 36 -8.673 -2.553 -3.810 1.00 1.55 C ATOM 570 CD1 ILE A 36 -6.971 -5.101 -3.039 1.00 1.16 C ATOM 0 H ILE A 36 -6.863 -3.788 -7.417 1.00 0.70 H new ATOM 0 HA ILE A 36 -9.402 -3.667 -5.860 1.00 0.76 H new ATOM 0 HB ILE A 36 -6.774 -2.845 -4.791 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -8.702 -5.175 -4.288 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -7.186 -5.350 -5.149 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -8.218 -2.536 -2.820 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -8.809 -1.531 -4.164 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -9.641 -3.050 -3.756 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -6.991 -6.176 -2.858 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -5.937 -4.762 -3.097 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -7.476 -4.585 -2.222 1.00 1.16 H new ATOM 582 N PRO A 37 -9.427 -1.243 -6.851 1.00 0.75 N ATOM 583 CA PRO A 37 -9.300 -0.057 -7.646 1.00 0.79 C ATOM 584 C PRO A 37 -8.671 1.056 -6.881 1.00 0.75 C ATOM 585 O PRO A 37 -9.096 1.186 -5.734 1.00 0.75 O ATOM 586 CB PRO A 37 -10.765 0.311 -7.874 1.00 0.95 C ATOM 587 CG PRO A 37 -11.491 -1.043 -7.912 1.00 1.02 C ATOM 588 CD PRO A 37 -10.761 -1.822 -6.807 1.00 0.85 C ATOM 0 HA PRO A 37 -8.693 -0.213 -8.538 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -11.146 0.945 -7.073 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -10.897 0.860 -8.806 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -12.556 -0.942 -7.705 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -11.400 -1.529 -8.883 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.232 -1.685 -5.834 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -10.746 -2.894 -7.006 1.00 0.85 H new ATOM 596 N PRO A 38 -7.733 1.844 -7.316 1.00 0.81 N ATOM 597 CA PRO A 38 -7.023 2.823 -6.545 1.00 0.85 C ATOM 598 C PRO A 38 -7.830 3.862 -5.845 1.00 0.89 C ATOM 599 O PRO A 38 -7.240 4.631 -5.087 1.00 0.99 O ATOM 600 CB PRO A 38 -6.018 3.526 -7.455 1.00 1.01 C ATOM 601 CG PRO A 38 -5.800 2.522 -8.600 1.00 1.25 C ATOM 602 CD PRO A 38 -7.060 1.643 -8.591 1.00 0.98 C ATOM 0 HA PRO A 38 -6.564 2.248 -5.741 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -6.407 4.475 -7.823 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -5.087 3.744 -6.931 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -5.679 3.031 -9.556 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -4.901 1.927 -8.440 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -7.719 1.911 -9.417 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.795 0.594 -8.722 1.00 0.98 H new ATOM 610 N ASP A 39 -9.132 3.970 -6.163 1.00 0.96 N ATOM 611 CA ASP A 39 -10.083 4.755 -5.439 1.00 1.11 C ATOM 612 C ASP A 39 -10.498 4.182 -4.127 1.00 1.00 C ATOM 613 O ASP A 39 -10.828 4.884 -3.174 1.00 1.14 O ATOM 614 CB ASP A 39 -11.343 4.857 -6.313 1.00 1.39 C ATOM 615 CG ASP A 39 -11.101 5.999 -7.291 1.00 1.73 C ATOM 616 OD1 ASP A 39 -10.991 7.156 -6.802 1.00 2.25 O ATOM 617 OD2 ASP A 39 -10.978 5.716 -8.513 1.00 2.23 O ATOM 0 H ASP A 39 -9.541 3.487 -6.963 1.00 0.96 H new ATOM 0 HA ASP A 39 -9.605 5.711 -5.224 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -11.523 3.923 -6.845 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -12.224 5.050 -5.702 1.00 1.39 H new ATOM 622 N GLN A 40 -10.383 2.857 -3.926 1.00 0.87 N ATOM 623 CA GLN A 40 -10.807 2.158 -2.752 1.00 0.84 C ATOM 624 C GLN A 40 -9.702 1.851 -1.801 1.00 0.67 C ATOM 625 O GLN A 40 -9.955 1.349 -0.707 1.00 0.80 O ATOM 626 CB GLN A 40 -11.589 0.864 -3.032 1.00 0.95 C ATOM 627 CG GLN A 40 -13.007 1.249 -3.461 1.00 1.32 C ATOM 628 CD GLN A 40 -13.849 0.026 -3.795 1.00 1.48 C ATOM 629 OE1 GLN A 40 -13.496 -1.135 -3.592 1.00 1.70 O ATOM 630 NE2 GLN A 40 -15.062 0.292 -4.348 1.00 2.02 N ATOM 0 H GLN A 40 -9.970 2.238 -4.624 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.485 2.873 -2.286 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -11.099 0.285 -3.814 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -11.618 0.236 -2.141 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -13.488 1.814 -2.662 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -12.958 1.905 -4.330 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -15.347 1.258 -4.513 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -15.687 -0.474 -4.598 1.00 2.02 H new ATOM 639 N GLN A 41 -8.431 2.169 -2.105 1.00 0.56 N ATOM 640 CA GLN A 41 -7.274 1.799 -1.351 1.00 0.51 C ATOM 641 C GLN A 41 -6.744 2.892 -0.489 1.00 0.49 C ATOM 642 O GLN A 41 -6.031 3.752 -1.003 1.00 0.65 O ATOM 643 CB GLN A 41 -6.128 1.301 -2.249 1.00 0.67 C ATOM 644 CG GLN A 41 -6.450 0.213 -3.275 1.00 0.69 C ATOM 645 CD GLN A 41 -5.336 -0.064 -4.274 1.00 0.56 C ATOM 646 OE1 GLN A 41 -4.161 0.023 -3.924 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.609 -0.394 -5.565 1.00 0.61 N ATOM 0 H GLN A 41 -8.198 2.720 -2.931 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.626 0.992 -0.709 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.725 2.160 -2.786 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.333 0.928 -1.603 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -6.683 -0.711 -2.745 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.347 0.502 -3.822 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.577 -0.472 -5.878 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.846 -0.564 -6.220 1.00 0.61 H new ATOM 656 N ARG A 42 -7.105 2.885 0.807 1.00 0.47 N ATOM 657 CA ARG A 42 -6.494 3.676 1.830 1.00 0.55 C ATOM 658 C ARG A 42 -5.327 2.955 2.412 1.00 0.46 C ATOM 659 O ARG A 42 -5.577 1.880 2.955 1.00 0.52 O ATOM 660 CB ARG A 42 -7.400 4.132 2.985 1.00 0.73 C ATOM 661 CG ARG A 42 -6.780 4.957 4.115 1.00 1.04 C ATOM 662 CD ARG A 42 -7.747 5.488 5.174 1.00 1.28 C ATOM 663 NE ARG A 42 -7.063 6.084 6.356 1.00 1.69 N ATOM 664 CZ ARG A 42 -6.987 5.500 7.588 1.00 2.19 C ATOM 665 NH1 ARG A 42 -7.490 4.250 7.804 1.00 2.34 N ATOM 666 NH2 ARG A 42 -6.188 6.049 8.549 1.00 2.78 N ATOM 0 H ARG A 42 -7.861 2.298 1.159 1.00 0.47 H new ATOM 0 HA ARG A 42 -6.207 4.587 1.305 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -8.215 4.715 2.557 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -7.845 3.242 3.430 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -6.029 4.344 4.614 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -6.257 5.805 3.673 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -8.393 6.240 4.721 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -8.390 4.674 5.508 1.00 1.28 H new ATOM 0 HE ARG A 42 -6.619 6.995 6.236 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -7.930 3.738 7.039 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -7.426 3.827 8.730 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -5.651 6.892 8.345 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -6.128 5.616 9.471 1.00 2.78 H new ATOM 680 N LEU A 43 -4.098 3.500 2.396 1.00 0.46 N ATOM 681 CA LEU A 43 -2.928 2.846 2.893 1.00 0.42 C ATOM 682 C LEU A 43 -2.316 3.408 4.129 1.00 0.43 C ATOM 683 O LEU A 43 -2.229 4.618 4.334 1.00 0.55 O ATOM 684 CB LEU A 43 -1.877 2.818 1.771 1.00 0.55 C ATOM 685 CG LEU A 43 -2.274 2.050 0.499 1.00 0.65 C ATOM 686 CD1 LEU A 43 -1.041 2.163 -0.414 1.00 1.17 C ATOM 687 CD2 LEU A 43 -2.571 0.581 0.844 1.00 1.12 C ATOM 0 H LEU A 43 -3.912 4.431 2.023 1.00 0.46 H new ATOM 0 HA LEU A 43 -3.263 1.853 3.194 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -1.642 3.846 1.493 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.962 2.378 2.167 1.00 0.55 H new ATOM 0 HG LEU A 43 -3.172 2.446 0.025 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -1.233 1.641 -1.351 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -0.835 3.214 -0.619 1.00 1.17 H new ATOM 0 HD13 LEU A 43 -0.179 1.715 0.081 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -2.851 0.044 -0.062 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -1.682 0.122 1.277 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -3.390 0.534 1.562 1.00 1.12 H new ATOM 699 N ILE A 44 -2.036 2.498 5.078 1.00 0.42 N ATOM 700 CA ILE A 44 -1.486 2.799 6.364 1.00 0.46 C ATOM 701 C ILE A 44 -0.217 2.021 6.452 1.00 0.42 C ATOM 702 O ILE A 44 -0.128 0.862 6.051 1.00 0.53 O ATOM 703 CB ILE A 44 -2.331 2.521 7.571 1.00 0.58 C ATOM 704 CG1 ILE A 44 -3.810 2.908 7.407 1.00 1.05 C ATOM 705 CG2 ILE A 44 -1.679 3.279 8.741 1.00 1.38 C ATOM 706 CD1 ILE A 44 -4.667 1.825 6.754 1.00 1.27 C ATOM 0 H ILE A 44 -2.202 1.501 4.942 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.372 3.882 6.405 1.00 0.46 H new ATOM 0 HB ILE A 44 -2.360 1.446 7.746 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -4.224 3.143 8.387 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -3.873 3.817 6.808 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -2.256 3.111 9.650 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -0.661 2.918 8.886 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -1.658 4.345 8.517 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -5.696 2.174 6.674 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -4.280 1.606 5.759 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -4.637 0.921 7.362 1.00 1.27 H new ATOM 718 N PHE A 45 0.814 2.717 6.963 1.00 0.42 N ATOM 719 CA PHE A 45 2.055 2.124 7.355 1.00 0.46 C ATOM 720 C PHE A 45 1.963 1.802 8.807 1.00 0.68 C ATOM 721 O PHE A 45 1.277 0.845 9.165 1.00 1.50 O ATOM 722 CB PHE A 45 3.276 2.926 6.876 1.00 0.56 C ATOM 723 CG PHE A 45 4.605 2.351 7.229 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.866 1.017 7.440 1.00 1.08 C ATOM 725 CD2 PHE A 45 5.711 3.169 7.212 1.00 1.19 C ATOM 726 CE1 PHE A 45 6.115 0.486 7.660 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.988 2.691 7.393 1.00 1.33 C ATOM 728 CZ PHE A 45 7.176 1.360 7.682 1.00 1.02 C ATOM 0 H PHE A 45 0.783 3.726 7.108 1.00 0.42 H new ATOM 0 HA PHE A 45 2.233 1.178 6.844 1.00 0.46 H new ATOM 0 HB2 PHE A 45 3.220 3.026 5.792 1.00 0.56 H new ATOM 0 HB3 PHE A 45 3.213 3.931 7.292 1.00 0.56 H new ATOM 0 HD1 PHE A 45 4.028 0.336 7.432 1.00 1.08 H new ATOM 0 HD2 PHE A 45 5.571 4.228 7.050 1.00 1.19 H new ATOM 0 HE1 PHE A 45 6.257 -0.574 7.809 1.00 1.20 H new ATOM 0 HE2 PHE A 45 7.835 3.355 7.309 1.00 1.33 H new ATOM 0 HZ PHE A 45 8.164 0.999 7.928 1.00 1.02 H new ATOM 738 N ALA A 46 2.634 2.589 9.668 1.00 0.81 N ATOM 739 CA ALA A 46 2.458 2.505 11.085 1.00 0.96 C ATOM 740 C ALA A 46 1.634 3.606 11.658 1.00 0.97 C ATOM 741 O ALA A 46 0.480 3.426 12.044 1.00 1.21 O ATOM 742 CB ALA A 46 3.785 2.527 11.861 1.00 1.20 C ATOM 0 H ALA A 46 3.310 3.295 9.375 1.00 0.81 H new ATOM 0 HA ALA A 46 1.948 1.549 11.204 1.00 0.96 H new ATOM 0 HB1 ALA A 46 3.583 2.460 12.930 1.00 1.20 H new ATOM 0 HB2 ALA A 46 4.400 1.681 11.555 1.00 1.20 H new ATOM 0 HB3 ALA A 46 4.315 3.456 11.649 1.00 1.20 H new ATOM 748 N GLY A 47 2.158 4.845 11.678 1.00 0.99 N ATOM 749 CA GLY A 47 1.488 5.990 12.210 1.00 1.10 C ATOM 750 C GLY A 47 1.016 6.854 11.092 1.00 1.03 C ATOM 751 O GLY A 47 0.018 7.557 11.241 1.00 1.30 O ATOM 0 H GLY A 47 3.085 5.057 11.309 1.00 0.99 H new ATOM 0 HA2 GLY A 47 0.643 5.678 12.824 1.00 1.10 H new ATOM 0 HA3 GLY A 47 2.162 6.551 12.857 1.00 1.10 H new ATOM 755 N LYS A 48 1.673 6.869 9.919 1.00 0.98 N ATOM 756 CA LYS A 48 1.299 7.675 8.798 1.00 1.05 C ATOM 757 C LYS A 48 0.453 6.856 7.885 1.00 0.84 C ATOM 758 O LYS A 48 0.759 5.706 7.574 1.00 0.81 O ATOM 759 CB LYS A 48 2.484 8.242 8.000 1.00 1.42 C ATOM 760 CG LYS A 48 3.459 9.202 8.685 1.00 1.61 C ATOM 761 CD LYS A 48 2.735 10.318 9.441 1.00 1.87 C ATOM 762 CE LYS A 48 3.617 11.452 9.969 1.00 2.22 C ATOM 763 NZ LYS A 48 4.524 11.955 8.912 1.00 2.55 N ATOM 0 H LYS A 48 2.499 6.296 9.744 1.00 0.98 H new ATOM 0 HA LYS A 48 0.762 8.534 9.200 1.00 1.05 H new ATOM 0 HB2 LYS A 48 3.063 7.396 7.629 1.00 1.42 H new ATOM 0 HB3 LYS A 48 2.076 8.756 7.129 1.00 1.42 H new ATOM 0 HG2 LYS A 48 4.088 8.644 9.379 1.00 1.61 H new ATOM 0 HG3 LYS A 48 4.120 9.641 7.937 1.00 1.61 H new ATOM 0 HD2 LYS A 48 1.982 10.748 8.781 1.00 1.87 H new ATOM 0 HD3 LYS A 48 2.205 9.874 10.284 1.00 1.87 H new ATOM 0 HE2 LYS A 48 2.990 12.266 10.333 1.00 2.22 H new ATOM 0 HE3 LYS A 48 4.203 11.097 10.817 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 4.936 12.862 9.211 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 5.285 11.265 8.751 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 3.988 12.092 8.031 1.00 2.55 H new ATOM 777 N GLN A 49 -0.562 7.506 7.286 1.00 0.84 N ATOM 778 CA GLN A 49 -1.372 7.078 6.188 1.00 0.80 C ATOM 779 C GLN A 49 -0.723 7.683 4.991 1.00 0.72 C ATOM 780 O GLN A 49 -0.308 8.840 5.049 1.00 0.83 O ATOM 781 CB GLN A 49 -2.848 7.479 6.349 1.00 1.03 C ATOM 782 CG GLN A 49 -3.115 8.981 6.461 1.00 1.67 C ATOM 783 CD GLN A 49 -4.615 9.195 6.597 1.00 1.92 C ATOM 784 OE1 GLN A 49 -5.463 8.312 6.708 1.00 2.24 O ATOM 785 NE2 GLN A 49 -4.957 10.510 6.659 1.00 2.48 N ATOM 0 H GLN A 49 -0.842 8.432 7.609 1.00 0.84 H new ATOM 0 HA GLN A 49 -1.420 5.992 6.110 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -3.407 7.091 5.497 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.244 6.990 7.239 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -2.593 9.395 7.324 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -2.737 9.500 5.580 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -4.239 11.229 6.565 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -5.931 10.778 6.800 1.00 2.48 H new ATOM 794 N LEU A 50 -0.605 6.847 3.945 1.00 0.69 N ATOM 795 CA LEU A 50 0.177 7.112 2.778 1.00 0.66 C ATOM 796 C LEU A 50 -0.487 7.876 1.684 1.00 0.72 C ATOM 797 O LEU A 50 -1.495 7.455 1.118 1.00 0.90 O ATOM 798 CB LEU A 50 0.883 5.855 2.239 1.00 0.65 C ATOM 799 CG LEU A 50 1.418 4.898 3.316 1.00 0.64 C ATOM 800 CD1 LEU A 50 1.899 3.601 2.644 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.682 5.475 3.975 1.00 0.74 C ATOM 0 H LEU A 50 -1.077 5.944 3.911 1.00 0.69 H new ATOM 0 HA LEU A 50 0.931 7.803 3.156 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.186 5.309 1.604 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.714 6.167 1.606 1.00 0.65 H new ATOM 0 HG LEU A 50 0.617 4.741 4.038 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.280 2.918 3.403 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.066 3.133 2.119 1.00 0.77 H new ATOM 0 HD13 LEU A 50 2.692 3.832 1.933 1.00 0.77 H new ATOM 0 HD21 LEU A 50 3.045 4.782 4.734 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.453 5.620 3.218 1.00 0.74 H new ATOM 0 HD23 LEU A 50 2.445 6.432 4.440 1.00 0.74 H new ATOM 813 N GLU A 51 0.066 9.077 1.439 1.00 0.70 N ATOM 814 CA GLU A 51 -0.370 9.991 0.431 1.00 0.76 C ATOM 815 C GLU A 51 0.236 9.682 -0.895 1.00 0.77 C ATOM 816 O GLU A 51 1.435 9.523 -1.115 1.00 1.23 O ATOM 817 CB GLU A 51 0.053 11.417 0.820 1.00 0.88 C ATOM 818 CG GLU A 51 -0.262 12.551 -0.159 1.00 1.35 C ATOM 819 CD GLU A 51 -0.294 13.943 0.454 1.00 1.46 C ATOM 820 OE1 GLU A 51 0.057 14.281 1.616 1.00 1.94 O ATOM 821 OE2 GLU A 51 -0.769 14.805 -0.332 1.00 1.89 O ATOM 0 H GLU A 51 0.860 9.428 1.974 1.00 0.70 H new ATOM 0 HA GLU A 51 -1.454 9.903 0.356 1.00 0.76 H new ATOM 0 HB2 GLU A 51 -0.419 11.657 1.773 1.00 0.88 H new ATOM 0 HB3 GLU A 51 1.130 11.412 0.990 1.00 0.88 H new ATOM 0 HG2 GLU A 51 0.481 12.539 -0.956 1.00 1.35 H new ATOM 0 HG3 GLU A 51 -1.229 12.352 -0.622 1.00 1.35 H new ATOM 828 N ASP A 52 -0.569 9.682 -1.973 1.00 0.66 N ATOM 829 CA ASP A 52 -0.227 9.191 -3.272 1.00 0.65 C ATOM 830 C ASP A 52 0.878 9.658 -4.155 1.00 0.60 C ATOM 831 O ASP A 52 1.526 8.849 -4.817 1.00 0.62 O ATOM 832 CB ASP A 52 -1.440 9.587 -4.130 1.00 0.81 C ATOM 833 CG ASP A 52 -2.730 8.981 -3.593 1.00 0.95 C ATOM 834 OD1 ASP A 52 -2.987 7.778 -3.862 1.00 1.44 O ATOM 835 OD2 ASP A 52 -3.552 9.696 -2.959 1.00 1.56 O ATOM 0 H ASP A 52 -1.520 10.049 -1.934 1.00 0.66 H new ATOM 0 HA ASP A 52 0.089 8.183 -3.005 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.530 10.673 -4.154 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -1.283 9.258 -5.157 1.00 0.81 H new ATOM 840 N GLY A 53 1.158 10.969 -4.262 1.00 0.68 N ATOM 841 CA GLY A 53 2.327 11.529 -4.867 1.00 0.73 C ATOM 842 C GLY A 53 3.417 11.822 -3.895 1.00 0.72 C ATOM 843 O GLY A 53 3.904 12.950 -3.850 1.00 0.97 O ATOM 0 H GLY A 53 0.526 11.684 -3.902 1.00 0.68 H new ATOM 0 HA2 GLY A 53 2.701 10.839 -5.623 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.054 12.450 -5.383 1.00 0.73 H new ATOM 847 N ARG A 54 3.867 10.803 -3.141 1.00 0.64 N ATOM 848 CA ARG A 54 4.995 10.794 -2.263 1.00 0.63 C ATOM 849 C ARG A 54 5.808 9.577 -2.541 1.00 0.59 C ATOM 850 O ARG A 54 5.290 8.687 -3.216 1.00 0.62 O ATOM 851 CB ARG A 54 4.717 10.865 -0.752 1.00 0.69 C ATOM 852 CG ARG A 54 3.698 11.907 -0.284 1.00 0.82 C ATOM 853 CD ARG A 54 4.053 13.382 -0.478 1.00 1.18 C ATOM 854 NE ARG A 54 3.135 14.203 0.361 1.00 1.50 N ATOM 855 CZ ARG A 54 3.110 15.564 0.463 1.00 2.00 C ATOM 856 NH1 ARG A 54 4.004 16.407 -0.130 1.00 2.48 N ATOM 857 NH2 ARG A 54 2.275 16.089 1.406 1.00 2.49 N ATOM 0 H ARG A 54 3.393 9.900 -3.149 1.00 0.64 H new ATOM 0 HA ARG A 54 5.513 11.727 -2.485 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.374 9.884 -0.424 1.00 0.69 H new ATOM 0 HB3 ARG A 54 5.660 11.060 -0.242 1.00 0.69 H new ATOM 0 HG2 ARG A 54 2.759 11.716 -0.804 1.00 0.82 H new ATOM 0 HG3 ARG A 54 3.513 11.743 0.778 1.00 0.82 H new ATOM 0 HD2 ARG A 54 5.090 13.563 -0.194 1.00 1.18 H new ATOM 0 HD3 ARG A 54 3.957 13.660 -1.528 1.00 1.18 H new ATOM 0 HE ARG A 54 2.451 13.693 0.920 1.00 1.50 H new ATOM 0 HH11 ARG A 54 4.761 16.029 -0.700 1.00 2.48 H new ATOM 0 HH12 ARG A 54 3.915 17.415 -0.004 1.00 2.48 H new ATOM 0 HH21 ARG A 54 1.711 15.471 1.989 1.00 2.49 H new ATOM 0 HH22 ARG A 54 2.215 17.100 1.528 1.00 2.49 H new ATOM 871 N THR A 55 7.085 9.486 -2.127 1.00 0.63 N ATOM 872 CA THR A 55 7.777 8.247 -2.305 1.00 0.61 C ATOM 873 C THR A 55 7.699 7.432 -1.059 1.00 0.59 C ATOM 874 O THR A 55 7.359 7.919 0.018 1.00 0.64 O ATOM 875 CB THR A 55 9.216 8.351 -2.714 1.00 0.68 C ATOM 876 OG1 THR A 55 10.096 8.829 -1.707 1.00 0.75 O ATOM 877 CG2 THR A 55 9.348 9.192 -3.996 1.00 0.76 C ATOM 0 H THR A 55 7.620 10.235 -1.687 1.00 0.63 H new ATOM 0 HA THR A 55 7.262 7.774 -3.141 1.00 0.61 H new ATOM 0 HB THR A 55 9.536 7.326 -2.901 1.00 0.68 H new ATOM 0 HG1 THR A 55 9.995 9.800 -1.618 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.398 9.259 -4.281 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.783 8.721 -4.800 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.956 10.193 -3.816 1.00 0.76 H new ATOM 885 N LEU A 56 8.137 6.173 -1.233 1.00 0.58 N ATOM 886 CA LEU A 56 8.532 5.265 -0.201 1.00 0.59 C ATOM 887 C LEU A 56 9.646 5.645 0.713 1.00 0.64 C ATOM 888 O LEU A 56 9.659 5.345 1.906 1.00 0.70 O ATOM 889 CB LEU A 56 8.695 3.824 -0.712 1.00 0.60 C ATOM 890 CG LEU A 56 7.408 3.022 -0.967 1.00 0.63 C ATOM 891 CD1 LEU A 56 6.711 3.432 -2.274 1.00 1.05 C ATOM 892 CD2 LEU A 56 7.774 1.530 -1.045 1.00 1.03 C ATOM 0 H LEU A 56 8.221 5.761 -2.162 1.00 0.58 H new ATOM 0 HA LEU A 56 7.667 5.336 0.459 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.263 3.857 -1.642 1.00 0.60 H new ATOM 0 HB3 LEU A 56 9.298 3.275 0.011 1.00 0.60 H new ATOM 0 HG LEU A 56 6.717 3.224 -0.149 1.00 0.63 H new ATOM 0 HD11 LEU A 56 5.808 2.836 -2.407 1.00 1.05 H new ATOM 0 HD12 LEU A 56 6.446 4.488 -2.229 1.00 1.05 H new ATOM 0 HD13 LEU A 56 7.385 3.263 -3.114 1.00 1.05 H new ATOM 0 HD21 LEU A 56 6.873 0.943 -1.226 1.00 1.03 H new ATOM 0 HD22 LEU A 56 8.480 1.371 -1.860 1.00 1.03 H new ATOM 0 HD23 LEU A 56 8.228 1.217 -0.105 1.00 1.03 H new ATOM 904 N SER A 57 10.626 6.443 0.254 1.00 0.68 N ATOM 905 CA SER A 57 11.751 6.962 0.967 1.00 0.75 C ATOM 906 C SER A 57 11.293 8.050 1.876 1.00 0.76 C ATOM 907 O SER A 57 11.837 8.211 2.968 1.00 0.84 O ATOM 908 CB SER A 57 12.845 7.445 0.000 1.00 0.84 C ATOM 909 OG SER A 57 12.629 8.679 -0.670 1.00 1.19 O ATOM 0 H SER A 57 10.628 6.755 -0.717 1.00 0.68 H new ATOM 0 HA SER A 57 12.196 6.170 1.569 1.00 0.75 H new ATOM 0 HB2 SER A 57 13.777 7.524 0.559 1.00 0.84 H new ATOM 0 HB3 SER A 57 12.991 6.673 -0.755 1.00 0.84 H new ATOM 0 HG SER A 57 11.747 8.669 -1.097 1.00 1.19 H new ATOM 915 N ASP A 58 10.157 8.726 1.627 1.00 0.75 N ATOM 916 CA ASP A 58 9.535 9.774 2.373 1.00 0.78 C ATOM 917 C ASP A 58 8.867 9.281 3.609 1.00 0.77 C ATOM 918 O ASP A 58 8.729 9.934 4.644 1.00 0.86 O ATOM 919 CB ASP A 58 8.585 10.660 1.548 1.00 0.83 C ATOM 920 CG ASP A 58 9.358 11.242 0.372 1.00 1.23 C ATOM 921 OD1 ASP A 58 10.217 12.114 0.669 1.00 1.86 O ATOM 922 OD2 ASP A 58 9.043 11.092 -0.839 1.00 1.90 O ATOM 0 H ASP A 58 9.609 8.505 0.795 1.00 0.75 H new ATOM 0 HA ASP A 58 10.363 10.416 2.673 1.00 0.78 H new ATOM 0 HB2 ASP A 58 7.738 10.075 1.191 1.00 0.83 H new ATOM 0 HB3 ASP A 58 8.181 11.460 2.168 1.00 0.83 H new ATOM 927 N TYR A 59 8.169 8.131 3.604 1.00 0.72 N ATOM 928 CA TYR A 59 7.541 7.563 4.757 1.00 0.73 C ATOM 929 C TYR A 59 8.484 6.621 5.424 1.00 0.76 C ATOM 930 O TYR A 59 8.097 6.012 6.421 1.00 0.89 O ATOM 931 CB TYR A 59 6.390 6.673 4.260 1.00 0.73 C ATOM 932 CG TYR A 59 5.300 7.625 3.903 1.00 0.67 C ATOM 933 CD1 TYR A 59 4.558 8.270 4.863 1.00 0.74 C ATOM 934 CD2 TYR A 59 4.916 7.797 2.594 1.00 0.67 C ATOM 935 CE1 TYR A 59 3.518 9.118 4.564 1.00 0.77 C ATOM 936 CE2 TYR A 59 3.944 8.718 2.282 1.00 0.70 C ATOM 937 CZ TYR A 59 3.255 9.414 3.248 1.00 0.74 C ATOM 938 OH TYR A 59 2.266 10.366 2.920 1.00 0.86 O ATOM 0 H TYR A 59 8.037 7.573 2.760 1.00 0.72 H new ATOM 0 HA TYR A 59 7.224 8.362 5.427 1.00 0.73 H new ATOM 0 HB2 TYR A 59 6.694 6.078 3.399 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.068 5.975 5.032 1.00 0.73 H new ATOM 0 HD1 TYR A 59 4.803 8.103 5.901 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.377 7.210 1.813 1.00 0.67 H new ATOM 0 HE1 TYR A 59 2.916 9.546 5.352 1.00 0.77 H new ATOM 0 HE2 TYR A 59 3.714 8.901 1.243 1.00 0.70 H new ATOM 0 HH TYR A 59 2.206 11.035 3.634 1.00 0.86 H new ATOM 948 N ASN A 60 9.718 6.380 4.948 1.00 0.74 N ATOM 949 CA ASN A 60 10.698 5.488 5.488 1.00 0.79 C ATOM 950 C ASN A 60 10.184 4.091 5.417 1.00 0.75 C ATOM 951 O ASN A 60 10.111 3.524 6.506 1.00 0.86 O ATOM 952 CB ASN A 60 11.213 5.944 6.863 1.00 0.95 C ATOM 953 CG ASN A 60 11.729 7.369 6.716 1.00 1.25 C ATOM 954 OD1 ASN A 60 11.386 8.282 7.465 1.00 1.84 O ATOM 955 ND2 ASN A 60 12.751 7.559 5.841 1.00 1.83 N ATOM 0 H ASN A 60 10.059 6.852 4.111 1.00 0.74 H new ATOM 0 HA ASN A 60 11.601 5.511 4.878 1.00 0.79 H new ATOM 0 HB2 ASN A 60 10.414 5.901 7.604 1.00 0.95 H new ATOM 0 HB3 ASN A 60 12.007 5.284 7.212 1.00 0.95 H new ATOM 0 HD21 ASN A 60 13.232 8.458 5.806 1.00 1.83 H new ATOM 0 HD22 ASN A 60 13.037 6.803 5.219 1.00 1.83 H new ATOM 962 N ILE A 61 9.796 3.528 4.259 1.00 0.67 N ATOM 963 CA ILE A 61 9.368 2.181 4.037 1.00 0.65 C ATOM 964 C ILE A 61 10.539 1.286 3.824 1.00 0.66 C ATOM 965 O ILE A 61 11.407 1.517 2.984 1.00 0.75 O ATOM 966 CB ILE A 61 8.238 2.107 3.053 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.062 2.968 3.539 1.00 0.70 C ATOM 968 CG2 ILE A 61 7.793 0.640 2.920 1.00 0.72 C ATOM 969 CD1 ILE A 61 5.872 3.032 2.582 1.00 0.82 C ATOM 0 H ILE A 61 9.781 4.071 3.395 1.00 0.67 H new ATOM 0 HA ILE A 61 8.904 1.775 4.936 1.00 0.65 H new ATOM 0 HB ILE A 61 8.568 2.483 2.084 1.00 0.63 H new ATOM 0 HG12 ILE A 61 6.718 2.579 4.498 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.422 3.982 3.716 1.00 0.70 H new ATOM 0 HG21 ILE A 61 6.971 0.572 2.207 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.630 0.036 2.568 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.462 0.271 3.891 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.093 3.662 3.011 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.194 3.452 1.629 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.479 2.028 2.422 1.00 0.82 H new ATOM 981 N GLN A 62 10.588 0.209 4.629 1.00 0.67 N ATOM 982 CA GLN A 62 11.689 -0.701 4.683 1.00 0.70 C ATOM 983 C GLN A 62 11.274 -1.976 4.032 1.00 0.62 C ATOM 984 O GLN A 62 10.093 -2.102 3.713 1.00 0.64 O ATOM 985 CB GLN A 62 12.233 -0.842 6.115 1.00 0.85 C ATOM 986 CG GLN A 62 12.870 0.444 6.646 1.00 1.27 C ATOM 987 CD GLN A 62 14.094 1.047 5.971 1.00 1.57 C ATOM 988 OE1 GLN A 62 15.240 0.665 6.207 1.00 2.08 O ATOM 989 NE2 GLN A 62 13.828 2.169 5.250 1.00 2.16 N ATOM 0 H GLN A 62 9.831 -0.037 5.267 1.00 0.67 H new ATOM 0 HA GLN A 62 12.543 -0.320 4.123 1.00 0.70 H new ATOM 0 HB2 GLN A 62 11.420 -1.138 6.778 1.00 0.85 H new ATOM 0 HB3 GLN A 62 12.972 -1.643 6.139 1.00 0.85 H new ATOM 0 HG2 GLN A 62 12.094 1.210 6.644 1.00 1.27 H new ATOM 0 HG3 GLN A 62 13.136 0.263 7.687 1.00 1.27 H new ATOM 0 HE21 GLN A 62 12.862 2.448 5.079 1.00 2.16 H new ATOM 0 HE22 GLN A 62 14.595 2.731 4.880 1.00 2.16 H new ATOM 998 N LYS A 63 12.249 -2.878 3.826 1.00 0.64 N ATOM 999 CA LYS A 63 11.842 -4.087 3.180 1.00 0.62 C ATOM 1000 C LYS A 63 11.016 -4.983 4.037 1.00 0.59 C ATOM 1001 O LYS A 63 10.199 -5.769 3.560 1.00 0.66 O ATOM 1002 CB LYS A 63 13.076 -4.857 2.682 1.00 0.74 C ATOM 1003 CG LYS A 63 13.994 -5.429 3.766 1.00 0.89 C ATOM 1004 CD LYS A 63 15.121 -6.144 3.018 1.00 1.11 C ATOM 1005 CE LYS A 63 16.098 -6.990 3.838 1.00 1.47 C ATOM 1006 NZ LYS A 63 15.312 -8.060 4.490 1.00 2.12 N ATOM 0 H LYS A 63 13.233 -2.790 4.079 1.00 0.64 H new ATOM 0 HA LYS A 63 11.210 -3.782 2.346 1.00 0.62 H new ATOM 0 HB2 LYS A 63 12.737 -5.678 2.051 1.00 0.74 H new ATOM 0 HB3 LYS A 63 13.664 -4.191 2.050 1.00 0.74 H new ATOM 0 HG2 LYS A 63 14.388 -4.637 4.404 1.00 0.89 H new ATOM 0 HG3 LYS A 63 13.453 -6.120 4.413 1.00 0.89 H new ATOM 0 HD2 LYS A 63 14.667 -6.791 2.267 1.00 1.11 H new ATOM 0 HD3 LYS A 63 15.698 -5.390 2.483 1.00 1.11 H new ATOM 0 HE2 LYS A 63 16.870 -7.416 3.197 1.00 1.47 H new ATOM 0 HE3 LYS A 63 16.605 -6.377 4.583 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 15.945 -8.658 5.059 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 14.591 -7.634 5.107 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 14.847 -8.641 3.763 1.00 2.12 H new ATOM 1020 N GLU A 64 11.197 -4.963 5.370 1.00 0.57 N ATOM 1021 CA GLU A 64 10.461 -5.788 6.276 1.00 0.58 C ATOM 1022 C GLU A 64 9.098 -5.275 6.591 1.00 0.56 C ATOM 1023 O GLU A 64 8.337 -5.738 7.439 1.00 0.70 O ATOM 1024 CB GLU A 64 11.124 -6.164 7.612 1.00 0.72 C ATOM 1025 CG GLU A 64 12.551 -6.688 7.440 1.00 0.96 C ATOM 1026 CD GLU A 64 12.609 -8.084 6.837 1.00 1.18 C ATOM 1027 OE1 GLU A 64 12.562 -9.020 7.679 1.00 1.69 O ATOM 1028 OE2 GLU A 64 12.842 -8.183 5.602 1.00 1.71 O ATOM 0 H GLU A 64 11.875 -4.355 5.830 1.00 0.57 H new ATOM 0 HA GLU A 64 10.419 -6.697 5.677 1.00 0.58 H new ATOM 0 HB2 GLU A 64 11.139 -5.290 8.263 1.00 0.72 H new ATOM 0 HB3 GLU A 64 10.521 -6.923 8.111 1.00 0.72 H new ATOM 0 HG2 GLU A 64 13.109 -6.001 6.804 1.00 0.96 H new ATOM 0 HG3 GLU A 64 13.047 -6.698 8.411 1.00 0.96 H new ATOM 1035 N SER A 65 8.619 -4.252 5.862 1.00 0.51 N ATOM 1036 CA SER A 65 7.391 -3.547 6.068 1.00 0.51 C ATOM 1037 C SER A 65 6.146 -4.208 5.588 1.00 0.43 C ATOM 1038 O SER A 65 6.021 -4.679 4.458 1.00 0.50 O ATOM 1039 CB SER A 65 7.310 -2.123 5.495 1.00 0.65 C ATOM 1040 OG SER A 65 8.221 -1.226 6.114 1.00 1.04 O ATOM 0 H SER A 65 9.135 -3.888 5.061 1.00 0.51 H new ATOM 0 HA SER A 65 7.431 -3.534 7.157 1.00 0.51 H new ATOM 0 HB2 SER A 65 7.511 -2.156 4.424 1.00 0.65 H new ATOM 0 HB3 SER A 65 6.295 -1.745 5.618 1.00 0.65 H new ATOM 0 HG SER A 65 7.722 -0.545 6.612 1.00 1.04 H new ATOM 1046 N THR A 66 5.171 -4.226 6.515 1.00 0.45 N ATOM 1047 CA THR A 66 3.829 -4.633 6.237 1.00 0.45 C ATOM 1048 C THR A 66 2.894 -3.473 6.196 1.00 0.43 C ATOM 1049 O THR A 66 2.555 -2.865 7.210 1.00 0.58 O ATOM 1050 CB THR A 66 3.297 -5.578 7.274 1.00 0.61 C ATOM 1051 OG1 THR A 66 4.164 -6.704 7.276 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.841 -5.998 7.017 1.00 0.78 C ATOM 0 H THR A 66 5.321 -3.950 7.485 1.00 0.45 H new ATOM 0 HA THR A 66 3.878 -5.124 5.265 1.00 0.45 H new ATOM 0 HB THR A 66 3.277 -5.084 8.245 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.856 -7.353 7.943 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.516 -6.681 7.801 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.202 -5.115 7.017 1.00 0.78 H new ATOM 0 HG23 THR A 66 1.771 -6.496 6.050 1.00 0.78 H new ATOM 1060 N LEU A 67 2.327 -3.249 4.997 1.00 0.38 N ATOM 1061 CA LEU A 67 1.357 -2.227 4.754 1.00 0.38 C ATOM 1062 C LEU A 67 -0.005 -2.757 5.044 1.00 0.37 C ATOM 1063 O LEU A 67 -0.228 -3.964 4.959 1.00 0.50 O ATOM 1064 CB LEU A 67 1.638 -1.525 3.416 1.00 0.46 C ATOM 1065 CG LEU A 67 2.617 -0.345 3.535 1.00 0.65 C ATOM 1066 CD1 LEU A 67 3.962 -0.609 4.234 1.00 1.40 C ATOM 1067 CD2 LEU A 67 2.817 0.207 2.113 1.00 1.31 C ATOM 0 H LEU A 67 2.552 -3.799 4.168 1.00 0.38 H new ATOM 0 HA LEU A 67 1.429 -1.388 5.446 1.00 0.38 H new ATOM 0 HB2 LEU A 67 2.042 -2.252 2.711 1.00 0.46 H new ATOM 0 HB3 LEU A 67 0.697 -1.165 2.999 1.00 0.46 H new ATOM 0 HG LEU A 67 2.161 0.375 4.214 1.00 0.65 H new ATOM 0 HD11 LEU A 67 4.551 0.308 4.247 1.00 1.40 H new ATOM 0 HD12 LEU A 67 3.782 -0.939 5.257 1.00 1.40 H new ATOM 0 HD13 LEU A 67 4.507 -1.383 3.694 1.00 1.40 H new ATOM 0 HD21 LEU A 67 3.507 1.050 2.144 1.00 1.31 H new ATOM 0 HD22 LEU A 67 3.227 -0.575 1.474 1.00 1.31 H new ATOM 0 HD23 LEU A 67 1.858 0.537 1.713 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.913 -1.802 5.311 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.231 -2.210 5.686 1.00 0.37 C ATOM 1081 C HIS A 68 -3.107 -1.435 4.763 1.00 0.35 C ATOM 1082 O HIS A 68 -2.991 -0.212 4.702 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.519 -1.685 7.103 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.508 -2.207 8.080 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -0.260 -1.657 8.292 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -1.562 -3.299 8.888 1.00 1.48 C ATOM 1087 CE1 HIS A 68 0.382 -2.459 9.184 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -0.373 -3.472 9.568 1.00 1.51 N ATOM 0 H HIS A 68 -0.749 -0.796 5.271 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.369 -3.291 5.649 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.502 -0.595 7.102 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.520 -1.988 7.412 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -2.421 -3.946 8.985 1.00 1.48 H new ATOM 0 HE1 HIS A 68 1.389 -2.288 9.536 1.00 1.41 H new ATOM 0 HE2 HIS A 68 -0.131 -4.217 10.222 1.00 1.51 H new ATOM 1096 N LEU A 69 -3.965 -2.137 4.002 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.880 -1.552 3.072 1.00 0.38 C ATOM 1098 C LEU A 69 -6.269 -1.540 3.612 1.00 0.41 C ATOM 1099 O LEU A 69 -6.841 -2.593 3.889 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.546 -2.350 1.800 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.308 -1.831 0.569 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -4.563 -2.469 -0.615 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -6.769 -2.312 0.544 1.00 1.14 C ATOM 0 H LEU A 69 -4.024 -3.155 4.036 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.793 -0.487 2.857 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.474 -2.296 1.611 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -4.789 -3.401 1.959 1.00 0.48 H new ATOM 0 HG LEU A 69 -5.339 -0.742 0.555 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -5.032 -2.159 -1.549 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -3.522 -2.146 -0.607 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.606 -3.555 -0.530 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -7.266 -1.920 -0.343 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -6.793 -3.402 0.522 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -7.285 -1.956 1.436 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.898 -0.379 3.866 1.00 0.45 N ATOM 1116 CA VAL A 70 -8.269 -0.327 4.270 1.00 0.56 C ATOM 1117 C VAL A 70 -9.154 0.231 3.209 1.00 0.55 C ATOM 1118 O VAL A 70 -8.675 0.838 2.253 1.00 0.58 O ATOM 1119 CB VAL A 70 -8.483 0.148 5.677 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -7.543 -0.573 6.658 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -8.251 1.668 5.675 1.00 0.97 C ATOM 0 H VAL A 70 -6.451 0.535 3.790 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.618 -1.356 4.359 1.00 0.56 H new ATOM 0 HB VAL A 70 -9.494 -0.079 6.014 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -7.722 -0.207 7.669 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -7.732 -1.646 6.621 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -6.507 -0.378 6.380 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -8.396 2.060 6.682 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -7.234 1.880 5.346 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -8.958 2.143 4.995 1.00 0.97 H new ATOM 1131 N LEU A 71 -10.466 0.039 3.432 1.00 0.73 N ATOM 1132 CA LEU A 71 -11.494 0.462 2.531 1.00 0.84 C ATOM 1133 C LEU A 71 -11.812 1.918 2.489 1.00 0.85 C ATOM 1134 O LEU A 71 -12.365 2.449 3.450 1.00 1.03 O ATOM 1135 CB LEU A 71 -12.774 -0.371 2.709 1.00 1.26 C ATOM 1136 CG LEU A 71 -14.018 0.022 1.895 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -13.763 -0.279 0.408 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -15.277 -0.703 2.399 1.00 2.78 C ATOM 0 H LEU A 71 -10.824 -0.426 4.266 1.00 0.73 H new ATOM 0 HA LEU A 71 -11.048 0.273 1.555 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -12.533 -1.407 2.469 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -13.045 -0.343 3.764 1.00 1.26 H new ATOM 0 HG LEU A 71 -14.199 1.089 2.022 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -14.642 -0.003 -0.175 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -12.903 0.295 0.063 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -13.563 -1.343 0.281 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -16.136 -0.400 1.800 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -15.136 -1.780 2.312 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -15.453 -0.443 3.443 1.00 2.78 H new