USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 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 7 THR OG1 : rot 180:sc= 0.299 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.00408 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 146:sc= 2.14 (180deg=0.875) USER MOD Set 2.2: A 12 THR OG1 : rot 180:sc= 0.849 USER MOD Single : A 1 MET CE :methyl 178:sc= -0.0967 (180deg=-0.102) USER MOD Single : A 1 MET N :NH3+ 161:sc= 1.38 (180deg=1.02) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -175:sc= 1.12 (180deg=1.08) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -170:sc= 0.00241 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 27 LYS NZ :NH3+ 164:sc= 2.61 (180deg=2.27) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.48 K(o=-1.5,f=-3.1!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.147 X(o=-0.15,f=0) USER MOD Single : A 41 GLN : amide:sc= 0.523 K(o=0.52,f=-1.6) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 139:sc= 0.437 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -125:sc= 1.21 (180deg=0.18) USER MOD Single : A 65 SER OG : rot -130:sc= -0.018 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.217 USER MOD Single : A 68 HIS : no HE2:sc= -0.146 X(o=-0.15,f=-0.45) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.435 -4.427 -4.000 1.00 0.78 N ATOM 2 CA MET A 1 13.105 -4.555 -2.563 1.00 0.70 C ATOM 3 C MET A 1 11.706 -5.028 -2.360 1.00 0.62 C ATOM 4 O MET A 1 10.762 -4.475 -2.921 1.00 0.68 O ATOM 5 CB MET A 1 13.299 -3.153 -1.961 1.00 0.75 C ATOM 6 CG MET A 1 12.864 -2.929 -0.512 1.00 0.79 C ATOM 7 SD MET A 1 13.266 -1.268 0.109 1.00 1.10 S ATOM 8 CE MET A 1 11.584 -0.782 0.590 1.00 0.84 C ATOM 0 H1 MET A 1 14.265 -3.810 -4.112 1.00 0.78 H new ATOM 0 H2 MET A 1 13.647 -5.366 -4.393 1.00 0.78 H new ATOM 0 H3 MET A 1 12.626 -4.015 -4.507 1.00 0.78 H new ATOM 0 HA MET A 1 13.745 -5.294 -2.081 1.00 0.70 H new ATOM 0 HB2 MET A 1 14.357 -2.901 -2.035 1.00 0.75 H new ATOM 0 HB3 MET A 1 12.758 -2.443 -2.586 1.00 0.75 H new ATOM 0 HG2 MET A 1 11.789 -3.088 -0.434 1.00 0.79 H new ATOM 0 HG3 MET A 1 13.344 -3.673 0.124 1.00 0.79 H new ATOM 0 HE1 MET A 1 11.606 0.212 1.037 1.00 0.84 H new ATOM 0 HE2 MET A 1 10.943 -0.769 -0.291 1.00 0.84 H new ATOM 0 HE3 MET A 1 11.192 -1.497 1.314 1.00 0.84 H new ATOM 20 N GLN A 2 11.473 -6.153 -1.662 1.00 0.59 N ATOM 21 CA GLN A 2 10.186 -6.765 -1.554 1.00 0.56 C ATOM 22 C GLN A 2 9.443 -6.162 -0.412 1.00 0.50 C ATOM 23 O GLN A 2 10.045 -5.967 0.643 1.00 0.60 O ATOM 24 CB GLN A 2 10.387 -8.278 -1.358 1.00 0.71 C ATOM 25 CG GLN A 2 9.161 -9.193 -1.322 1.00 1.15 C ATOM 26 CD GLN A 2 9.600 -10.644 -1.196 1.00 1.30 C ATOM 27 OE1 GLN A 2 9.734 -11.204 -0.108 1.00 1.87 O ATOM 28 NE2 GLN A 2 9.907 -11.238 -2.379 1.00 1.72 N ATOM 0 H GLN A 2 12.204 -6.653 -1.156 1.00 0.59 H new ATOM 0 HA GLN A 2 9.598 -6.599 -2.457 1.00 0.56 H new ATOM 0 HB2 GLN A 2 11.036 -8.630 -2.160 1.00 0.71 H new ATOM 0 HB3 GLN A 2 10.930 -8.419 -0.423 1.00 0.71 H new ATOM 0 HG2 GLN A 2 8.520 -8.924 -0.482 1.00 1.15 H new ATOM 0 HG3 GLN A 2 8.571 -9.060 -2.229 1.00 1.15 H new ATOM 0 HE21 GLN A 2 9.777 -10.730 -3.254 1.00 1.72 H new ATOM 0 HE22 GLN A 2 10.267 -12.192 -2.392 1.00 1.72 H new ATOM 37 N ILE A 3 8.154 -5.796 -0.526 1.00 0.44 N ATOM 38 CA ILE A 3 7.337 -5.315 0.545 1.00 0.42 C ATOM 39 C ILE A 3 6.046 -6.059 0.510 1.00 0.40 C ATOM 40 O ILE A 3 5.719 -6.710 -0.481 1.00 0.50 O ATOM 41 CB ILE A 3 7.030 -3.851 0.642 1.00 0.48 C ATOM 42 CG1 ILE A 3 6.503 -3.218 -0.657 1.00 0.55 C ATOM 43 CG2 ILE A 3 8.311 -3.099 1.043 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.627 -2.003 -0.348 1.00 0.72 C ATOM 0 H ILE A 3 7.655 -5.838 -1.414 1.00 0.44 H new ATOM 0 HA ILE A 3 7.958 -5.490 1.424 1.00 0.42 H new ATOM 0 HB ILE A 3 6.236 -3.764 1.383 1.00 0.48 H new ATOM 0 HG12 ILE A 3 7.340 -2.918 -1.287 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.928 -3.954 -1.219 1.00 0.55 H new ATOM 0 HG21 ILE A 3 8.099 -2.032 1.116 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.662 -3.466 2.007 1.00 0.61 H new ATOM 0 HG23 ILE A 3 9.081 -3.265 0.290 1.00 0.61 H new ATOM 0 HD11 ILE A 3 5.264 -1.570 -1.280 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.779 -2.312 0.263 1.00 0.72 H new ATOM 0 HD13 ILE A 3 6.213 -1.260 0.194 1.00 0.72 H new ATOM 56 N PHE A 4 5.193 -5.936 1.542 1.00 0.37 N ATOM 57 CA PHE A 4 3.940 -6.625 1.577 1.00 0.38 C ATOM 58 C PHE A 4 2.866 -5.599 1.699 1.00 0.39 C ATOM 59 O PHE A 4 3.092 -4.521 2.244 1.00 0.60 O ATOM 60 CB PHE A 4 3.793 -7.585 2.768 1.00 0.45 C ATOM 61 CG PHE A 4 4.988 -8.475 2.800 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.312 -9.347 1.788 1.00 1.16 C ATOM 63 CD2 PHE A 4 5.765 -8.426 3.934 1.00 1.30 C ATOM 64 CE1 PHE A 4 6.399 -10.184 1.882 1.00 1.23 C ATOM 65 CE2 PHE A 4 6.825 -9.299 4.019 1.00 1.40 C ATOM 66 CZ PHE A 4 7.128 -10.223 3.047 1.00 0.85 C ATOM 0 H PHE A 4 5.373 -5.354 2.360 1.00 0.37 H new ATOM 0 HA PHE A 4 3.875 -7.221 0.667 1.00 0.38 H new ATOM 0 HB2 PHE A 4 3.711 -7.025 3.700 1.00 0.45 H new ATOM 0 HB3 PHE A 4 2.882 -8.175 2.670 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.699 -9.375 0.899 1.00 1.16 H new ATOM 0 HD2 PHE A 4 5.551 -7.727 4.729 1.00 1.30 H new ATOM 0 HE1 PHE A 4 6.678 -10.807 1.045 1.00 1.23 H new ATOM 0 HE2 PHE A 4 7.453 -9.256 4.897 1.00 1.40 H new ATOM 0 HZ PHE A 4 7.910 -10.953 3.193 1.00 0.85 H new ATOM 76 N VAL A 5 1.663 -6.026 1.274 1.00 0.35 N ATOM 77 CA VAL A 5 0.438 -5.366 1.600 1.00 0.35 C ATOM 78 C VAL A 5 -0.479 -6.331 2.271 1.00 0.35 C ATOM 79 O VAL A 5 -0.669 -7.478 1.867 1.00 0.46 O ATOM 80 CB VAL A 5 -0.200 -4.766 0.382 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.611 -4.249 0.710 1.00 0.58 C ATOM 82 CG2 VAL A 5 0.705 -3.585 -0.009 1.00 0.56 C ATOM 0 H VAL A 5 1.540 -6.852 0.688 1.00 0.35 H new ATOM 0 HA VAL A 5 0.650 -4.544 2.284 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.300 -5.498 -0.420 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -2.058 -3.817 -0.186 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -2.229 -5.075 1.061 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -1.548 -3.487 1.487 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.301 -3.095 -0.895 1.00 0.56 H new ATOM 0 HG22 VAL A 5 0.747 -2.871 0.813 1.00 0.56 H new ATOM 0 HG23 VAL A 5 1.709 -3.951 -0.223 1.00 0.56 H new ATOM 92 N LYS A 6 -1.099 -5.940 3.398 1.00 0.36 N ATOM 93 CA LYS A 6 -2.014 -6.768 4.121 1.00 0.39 C ATOM 94 C LYS A 6 -3.397 -6.362 3.740 1.00 0.46 C ATOM 95 O LYS A 6 -3.701 -5.173 3.662 1.00 0.53 O ATOM 96 CB LYS A 6 -1.742 -6.626 5.627 1.00 0.54 C ATOM 97 CG LYS A 6 -2.321 -7.709 6.541 1.00 1.22 C ATOM 98 CD LYS A 6 -1.857 -9.084 6.060 1.00 1.37 C ATOM 99 CE LYS A 6 -1.736 -10.176 7.125 1.00 1.93 C ATOM 100 NZ LYS A 6 -1.140 -11.433 6.619 1.00 2.09 N ATOM 0 H LYS A 6 -0.960 -5.021 3.819 1.00 0.36 H new ATOM 0 HA LYS A 6 -1.890 -7.823 3.876 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -0.663 -6.598 5.776 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -2.133 -5.662 5.953 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -1.998 -7.543 7.569 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -3.410 -7.659 6.537 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -2.552 -9.430 5.295 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -0.886 -8.967 5.580 1.00 1.37 H new ATOM 0 HE2 LYS A 6 -1.129 -9.802 7.950 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -2.726 -10.390 7.529 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 -0.573 -11.876 7.370 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -1.897 -12.084 6.327 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 -0.530 -11.224 5.803 1.00 2.09 H new ATOM 114 N THR A 7 -4.294 -7.325 3.460 1.00 0.58 N ATOM 115 CA THR A 7 -5.652 -6.990 3.159 1.00 0.78 C ATOM 116 C THR A 7 -6.540 -6.840 4.345 1.00 0.94 C ATOM 117 O THR A 7 -6.131 -6.787 5.503 1.00 0.99 O ATOM 118 CB THR A 7 -6.236 -7.859 2.085 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.364 -9.194 2.552 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.295 -8.006 0.877 1.00 0.92 C ATOM 0 H THR A 7 -4.083 -8.323 3.442 1.00 0.58 H new ATOM 0 HA THR A 7 -5.600 -5.982 2.748 1.00 0.78 H new ATOM 0 HB THR A 7 -7.180 -7.386 1.816 1.00 0.90 H new ATOM 0 HG1 THR A 7 -6.748 -9.753 1.844 1.00 0.90 H new ATOM 0 HG21 THR A 7 -5.763 -8.644 0.127 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.099 -7.024 0.447 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.356 -8.455 1.200 1.00 0.92 H new ATOM 128 N LEU A 8 -7.855 -6.814 4.063 1.00 1.17 N ATOM 129 CA LEU A 8 -8.804 -6.776 5.133 1.00 1.39 C ATOM 130 C LEU A 8 -8.927 -8.092 5.823 1.00 1.44 C ATOM 131 O LEU A 8 -8.833 -8.180 7.046 1.00 1.60 O ATOM 132 CB LEU A 8 -10.141 -6.201 4.638 1.00 1.66 C ATOM 133 CG LEU A 8 -10.103 -4.724 4.209 1.00 2.11 C ATOM 134 CD1 LEU A 8 -11.317 -4.303 3.363 1.00 2.53 C ATOM 135 CD2 LEU A 8 -9.942 -3.770 5.404 1.00 2.43 C ATOM 0 H LEU A 8 -8.253 -6.819 3.124 1.00 1.17 H new ATOM 0 HA LEU A 8 -8.438 -6.097 5.903 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -10.484 -6.799 3.794 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.881 -6.313 5.430 1.00 1.66 H new ATOM 0 HG LEU A 8 -9.218 -4.642 3.578 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -11.226 -3.250 3.095 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -11.355 -4.906 2.456 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -12.231 -4.453 3.938 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -9.921 -2.740 5.047 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -10.780 -3.900 6.089 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -9.011 -3.993 5.925 1.00 2.43 H new ATOM 147 N THR A 9 -9.067 -9.190 5.059 1.00 1.41 N ATOM 148 CA THR A 9 -9.302 -10.482 5.623 1.00 1.51 C ATOM 149 C THR A 9 -8.097 -11.143 6.199 1.00 1.37 C ATOM 150 O THR A 9 -8.236 -11.849 7.197 1.00 1.62 O ATOM 151 CB THR A 9 -9.889 -11.469 4.659 1.00 1.65 C ATOM 152 OG1 THR A 9 -9.314 -11.384 3.365 1.00 1.89 O ATOM 153 CG2 THR A 9 -11.360 -11.055 4.480 1.00 2.08 C ATOM 0 H THR A 9 -9.017 -9.181 4.040 1.00 1.41 H new ATOM 0 HA THR A 9 -10.010 -10.241 6.416 1.00 1.51 H new ATOM 0 HB THR A 9 -9.727 -12.473 5.051 1.00 1.65 H new ATOM 0 HG1 THR A 9 -9.730 -12.049 2.778 1.00 1.89 H new ATOM 0 HG21 THR A 9 -11.848 -11.738 3.785 1.00 2.08 H new ATOM 0 HG22 THR A 9 -11.868 -11.093 5.443 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.407 -10.040 4.085 1.00 2.08 H new ATOM 161 N GLY A 10 -6.891 -10.872 5.670 1.00 1.18 N ATOM 162 CA GLY A 10 -5.637 -11.312 6.199 1.00 1.22 C ATOM 163 C GLY A 10 -4.633 -11.739 5.185 1.00 0.99 C ATOM 164 O GLY A 10 -3.539 -12.199 5.504 1.00 1.31 O ATOM 0 H GLY A 10 -6.785 -10.313 4.823 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -5.209 -10.505 6.793 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -5.820 -12.145 6.878 1.00 1.22 H new ATOM 168 N LYS A 11 -4.890 -11.459 3.895 1.00 0.73 N ATOM 169 CA LYS A 11 -4.044 -11.981 2.867 1.00 0.60 C ATOM 170 C LYS A 11 -2.847 -11.098 2.776 1.00 0.51 C ATOM 171 O LYS A 11 -2.946 -9.893 2.549 1.00 0.63 O ATOM 172 CB LYS A 11 -4.754 -12.175 1.517 1.00 0.75 C ATOM 173 CG LYS A 11 -4.150 -13.242 0.602 1.00 0.87 C ATOM 174 CD LYS A 11 -4.631 -13.281 -0.850 1.00 1.04 C ATOM 175 CE LYS A 11 -4.454 -11.913 -1.513 1.00 1.30 C ATOM 176 NZ LYS A 11 -4.965 -11.919 -2.901 1.00 1.40 N ATOM 0 H LYS A 11 -5.666 -10.884 3.568 1.00 0.73 H new ATOM 0 HA LYS A 11 -3.740 -12.993 3.135 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -5.796 -12.433 1.708 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -4.753 -11.223 0.986 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -3.069 -13.106 0.595 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -4.346 -14.217 1.048 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -4.071 -14.035 -1.404 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -5.680 -13.574 -0.883 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -4.980 -11.154 -0.933 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -3.399 -11.640 -1.513 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -4.755 -11.006 -3.352 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -4.506 -12.683 -3.437 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -5.994 -12.072 -2.892 1.00 1.40 H new ATOM 190 N THR A 12 -1.695 -11.759 2.567 1.00 0.49 N ATOM 191 CA THR A 12 -0.460 -11.058 2.403 1.00 0.48 C ATOM 192 C THR A 12 -0.146 -10.921 0.953 1.00 0.52 C ATOM 193 O THR A 12 0.275 -11.916 0.366 1.00 0.72 O ATOM 194 CB THR A 12 0.697 -11.731 3.082 1.00 0.64 C ATOM 195 OG1 THR A 12 0.345 -12.005 4.430 1.00 0.77 O ATOM 196 CG2 THR A 12 1.879 -10.747 3.118 1.00 0.78 C ATOM 0 H THR A 12 -1.618 -12.775 2.512 1.00 0.49 H new ATOM 0 HA THR A 12 -0.596 -10.083 2.871 1.00 0.48 H new ATOM 0 HB THR A 12 0.953 -12.647 2.550 1.00 0.64 H new ATOM 0 HG1 THR A 12 1.095 -12.446 4.881 1.00 0.77 H new ATOM 0 HG21 THR A 12 2.730 -11.219 3.608 1.00 0.78 H new ATOM 0 HG22 THR A 12 2.154 -10.471 2.100 1.00 0.78 H new ATOM 0 HG23 THR A 12 1.591 -9.853 3.671 1.00 0.78 H new ATOM 204 N ILE A 13 -0.252 -9.722 0.353 1.00 0.48 N ATOM 205 CA ILE A 13 0.132 -9.456 -0.999 1.00 0.55 C ATOM 206 C ILE A 13 1.600 -9.209 -1.035 1.00 0.51 C ATOM 207 O ILE A 13 2.103 -8.324 -0.344 1.00 0.56 O ATOM 208 CB ILE A 13 -0.469 -8.243 -1.645 1.00 0.69 C ATOM 209 CG1 ILE A 13 -1.983 -8.312 -1.388 1.00 1.15 C ATOM 210 CG2 ILE A 13 -0.190 -8.188 -3.156 1.00 1.13 C ATOM 211 CD1 ILE A 13 -2.705 -7.094 -1.963 1.00 1.55 C ATOM 0 H ILE A 13 -0.622 -8.901 0.832 1.00 0.48 H new ATOM 0 HA ILE A 13 -0.220 -10.332 -1.544 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.025 -7.342 -1.221 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.388 -9.220 -1.834 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.169 -8.374 -0.316 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -0.645 -7.292 -3.578 1.00 1.13 H new ATOM 0 HG22 ILE A 13 0.886 -8.163 -3.327 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -0.613 -9.070 -3.636 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -3.773 -7.176 -1.763 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.317 -6.188 -1.497 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -2.540 -7.048 -3.039 1.00 1.55 H new ATOM 223 N THR A 14 2.363 -9.989 -1.823 1.00 0.55 N ATOM 224 CA THR A 14 3.769 -9.764 -1.960 1.00 0.54 C ATOM 225 C THR A 14 4.132 -8.932 -3.141 1.00 0.55 C ATOM 226 O THR A 14 3.900 -9.349 -4.275 1.00 0.72 O ATOM 227 CB THR A 14 4.582 -11.009 -2.149 1.00 0.67 C ATOM 228 OG1 THR A 14 4.471 -11.802 -0.978 1.00 1.08 O ATOM 229 CG2 THR A 14 6.080 -10.762 -2.394 1.00 1.03 C ATOM 0 H THR A 14 2.006 -10.776 -2.365 1.00 0.55 H new ATOM 0 HA THR A 14 3.995 -9.271 -1.015 1.00 0.54 H new ATOM 0 HB THR A 14 4.185 -11.495 -3.040 1.00 0.67 H new ATOM 0 HG1 THR A 14 4.997 -12.622 -1.087 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.590 -11.717 -2.520 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.207 -10.161 -3.295 1.00 1.03 H new ATOM 0 HG23 THR A 14 6.506 -10.233 -1.542 1.00 1.03 H new ATOM 237 N LEU A 15 4.672 -7.722 -2.904 1.00 0.50 N ATOM 238 CA LEU A 15 5.066 -6.819 -3.940 1.00 0.55 C ATOM 239 C LEU A 15 6.523 -6.512 -3.999 1.00 0.52 C ATOM 240 O LEU A 15 7.252 -6.729 -3.032 1.00 0.58 O ATOM 241 CB LEU A 15 4.371 -5.450 -3.847 1.00 0.69 C ATOM 242 CG LEU A 15 2.846 -5.644 -3.815 1.00 0.76 C ATOM 243 CD1 LEU A 15 2.206 -5.585 -2.418 1.00 1.38 C ATOM 244 CD2 LEU A 15 2.146 -4.715 -4.823 1.00 1.55 C ATOM 0 H LEU A 15 4.839 -7.362 -1.964 1.00 0.50 H new ATOM 0 HA LEU A 15 4.767 -7.373 -4.830 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.699 -4.925 -2.950 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.651 -4.831 -4.699 1.00 0.69 H new ATOM 0 HG LEU A 15 2.684 -6.676 -4.128 1.00 0.76 H new ATOM 0 HD11 LEU A 15 1.130 -5.733 -2.504 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.631 -6.368 -1.790 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.404 -4.612 -1.968 1.00 1.38 H new ATOM 0 HD21 LEU A 15 1.069 -4.875 -4.778 1.00 1.55 H new ATOM 0 HD22 LEU A 15 2.370 -3.677 -4.577 1.00 1.55 H new ATOM 0 HD23 LEU A 15 2.503 -4.935 -5.829 1.00 1.55 H new ATOM 256 N GLU A 16 6.968 -6.018 -5.169 1.00 0.59 N ATOM 257 CA GLU A 16 8.350 -5.657 -5.238 1.00 0.63 C ATOM 258 C GLU A 16 8.551 -4.276 -5.758 1.00 0.65 C ATOM 259 O GLU A 16 8.011 -3.878 -6.790 1.00 0.81 O ATOM 260 CB GLU A 16 9.249 -6.717 -5.898 1.00 0.76 C ATOM 261 CG GLU A 16 8.665 -7.179 -7.234 1.00 1.41 C ATOM 262 CD GLU A 16 9.568 -8.067 -8.079 1.00 1.52 C ATOM 263 OE1 GLU A 16 9.673 -9.276 -7.741 1.00 1.95 O ATOM 264 OE2 GLU A 16 10.216 -7.581 -9.045 1.00 1.92 O ATOM 0 H GLU A 16 6.415 -5.875 -6.014 1.00 0.59 H new ATOM 0 HA GLU A 16 8.700 -5.637 -4.206 1.00 0.63 H new ATOM 0 HB2 GLU A 16 10.246 -6.306 -6.056 1.00 0.76 H new ATOM 0 HB3 GLU A 16 9.359 -7.572 -5.231 1.00 0.76 H new ATOM 0 HG2 GLU A 16 7.738 -7.718 -7.037 1.00 1.41 H new ATOM 0 HG3 GLU A 16 8.403 -6.297 -7.819 1.00 1.41 H new ATOM 271 N VAL A 17 9.274 -3.489 -4.941 1.00 0.61 N ATOM 272 CA VAL A 17 9.528 -2.108 -5.208 1.00 0.63 C ATOM 273 C VAL A 17 10.984 -1.815 -5.094 1.00 0.65 C ATOM 274 O VAL A 17 11.805 -2.729 -5.056 1.00 0.76 O ATOM 275 CB VAL A 17 8.735 -1.197 -4.318 1.00 0.70 C ATOM 276 CG1 VAL A 17 7.239 -1.188 -4.672 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.937 -1.589 -2.844 1.00 0.92 C ATOM 0 H VAL A 17 9.693 -3.822 -4.072 1.00 0.61 H new ATOM 0 HA VAL A 17 9.204 -1.914 -6.231 1.00 0.63 H new ATOM 0 HB VAL A 17 9.106 -0.184 -4.477 1.00 0.70 H new ATOM 0 HG11 VAL A 17 6.710 -0.513 -3.999 1.00 0.96 H new ATOM 0 HG12 VAL A 17 7.110 -0.849 -5.700 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.835 -2.195 -4.568 1.00 0.96 H new ATOM 0 HG21 VAL A 17 8.357 -0.921 -2.207 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.604 -2.616 -2.692 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.993 -1.508 -2.587 1.00 0.92 H new ATOM 287 N GLU A 18 11.457 -0.556 -5.052 1.00 0.68 N ATOM 288 CA GLU A 18 12.748 -0.125 -4.610 1.00 0.74 C ATOM 289 C GLU A 18 12.448 1.081 -3.788 1.00 0.71 C ATOM 290 O GLU A 18 11.260 1.382 -3.685 1.00 0.74 O ATOM 291 CB GLU A 18 13.621 0.245 -5.822 1.00 0.88 C ATOM 292 CG GLU A 18 14.572 -0.797 -6.412 1.00 1.16 C ATOM 293 CD GLU A 18 15.639 -1.302 -5.451 1.00 1.71 C ATOM 294 OE1 GLU A 18 15.302 -1.952 -4.426 1.00 2.33 O ATOM 295 OE2 GLU A 18 16.831 -1.043 -5.767 1.00 2.35 O ATOM 0 H GLU A 18 10.882 0.230 -5.355 1.00 0.68 H new ATOM 0 HA GLU A 18 13.294 -0.888 -4.055 1.00 0.74 H new ATOM 0 HB2 GLU A 18 12.952 0.566 -6.621 1.00 0.88 H new ATOM 0 HB3 GLU A 18 14.220 1.111 -5.541 1.00 0.88 H new ATOM 0 HG2 GLU A 18 13.986 -1.647 -6.762 1.00 1.16 H new ATOM 0 HG3 GLU A 18 15.063 -0.368 -7.285 1.00 1.16 H new ATOM 302 N PRO A 19 13.347 1.719 -3.099 1.00 0.74 N ATOM 303 CA PRO A 19 12.995 2.750 -2.165 1.00 0.74 C ATOM 304 C PRO A 19 12.710 4.108 -2.706 1.00 0.70 C ATOM 305 O PRO A 19 12.186 4.918 -1.943 1.00 0.74 O ATOM 306 CB PRO A 19 14.254 2.930 -1.321 1.00 0.86 C ATOM 307 CG PRO A 19 14.940 1.555 -1.296 1.00 0.95 C ATOM 308 CD PRO A 19 14.626 1.126 -2.738 1.00 0.82 C ATOM 0 HA PRO A 19 12.074 2.424 -1.682 1.00 0.74 H new ATOM 0 HB2 PRO A 19 14.909 3.686 -1.753 1.00 0.86 H new ATOM 0 HB3 PRO A 19 14.005 3.261 -0.313 1.00 0.86 H new ATOM 0 HG2 PRO A 19 16.010 1.618 -1.095 1.00 0.95 H new ATOM 0 HG3 PRO A 19 14.515 0.882 -0.551 1.00 0.95 H new ATOM 0 HD2 PRO A 19 15.410 1.461 -3.417 1.00 0.82 H new ATOM 0 HD3 PRO A 19 14.581 0.040 -2.814 1.00 0.82 H new ATOM 316 N SER A 20 12.979 4.288 -4.012 1.00 0.70 N ATOM 317 CA SER A 20 12.636 5.508 -4.674 1.00 0.74 C ATOM 318 C SER A 20 11.257 5.540 -5.239 1.00 0.71 C ATOM 319 O SER A 20 10.702 6.606 -5.503 1.00 0.80 O ATOM 320 CB SER A 20 13.721 5.524 -5.764 1.00 0.89 C ATOM 321 OG SER A 20 15.034 5.870 -5.350 1.00 1.45 O ATOM 0 H SER A 20 13.431 3.593 -4.606 1.00 0.70 H new ATOM 0 HA SER A 20 12.615 6.375 -4.014 1.00 0.74 H new ATOM 0 HB2 SER A 20 13.758 4.536 -6.222 1.00 0.89 H new ATOM 0 HB3 SER A 20 13.413 6.224 -6.541 1.00 0.89 H new ATOM 0 HG SER A 20 15.637 5.846 -6.122 1.00 1.45 H new ATOM 327 N ASP A 21 10.581 4.402 -5.474 1.00 0.70 N ATOM 328 CA ASP A 21 9.230 4.238 -5.913 1.00 0.73 C ATOM 329 C ASP A 21 8.229 4.791 -4.959 1.00 0.64 C ATOM 330 O ASP A 21 8.430 4.899 -3.750 1.00 0.66 O ATOM 331 CB ASP A 21 8.963 2.735 -6.106 1.00 0.87 C ATOM 332 CG ASP A 21 9.671 2.127 -7.307 1.00 1.05 C ATOM 333 OD1 ASP A 21 9.671 2.695 -8.432 1.00 1.50 O ATOM 334 OD2 ASP A 21 10.137 0.972 -7.118 1.00 1.69 O ATOM 0 H ASP A 21 11.034 3.498 -5.341 1.00 0.70 H new ATOM 0 HA ASP A 21 9.118 4.794 -6.844 1.00 0.73 H new ATOM 0 HB2 ASP A 21 9.274 2.203 -5.207 1.00 0.87 H new ATOM 0 HB3 ASP A 21 7.890 2.579 -6.213 1.00 0.87 H new ATOM 339 N THR A 22 7.052 5.209 -5.457 1.00 0.63 N ATOM 340 CA THR A 22 5.981 5.804 -4.718 1.00 0.58 C ATOM 341 C THR A 22 4.948 4.893 -4.149 1.00 0.53 C ATOM 342 O THR A 22 4.762 3.774 -4.627 1.00 0.58 O ATOM 343 CB THR A 22 5.243 6.842 -5.510 1.00 0.63 C ATOM 344 OG1 THR A 22 4.832 6.355 -6.779 1.00 0.70 O ATOM 345 CG2 THR A 22 6.108 8.070 -5.842 1.00 0.75 C ATOM 0 H THR A 22 6.833 5.125 -6.450 1.00 0.63 H new ATOM 0 HA THR A 22 6.534 6.228 -3.879 1.00 0.58 H new ATOM 0 HB THR A 22 4.400 7.103 -4.870 1.00 0.63 H new ATOM 0 HG1 THR A 22 4.498 7.099 -7.322 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.519 8.785 -6.416 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.446 8.537 -4.917 1.00 0.75 H new ATOM 0 HG23 THR A 22 6.972 7.758 -6.428 1.00 0.75 H new ATOM 353 N ILE A 23 4.071 5.410 -3.271 1.00 0.51 N ATOM 354 CA ILE A 23 2.921 4.730 -2.763 1.00 0.48 C ATOM 355 C ILE A 23 1.957 4.466 -3.867 1.00 0.48 C ATOM 356 O ILE A 23 1.366 3.387 -3.914 1.00 0.51 O ATOM 357 CB ILE A 23 2.384 5.497 -1.591 1.00 0.52 C ATOM 358 CG1 ILE A 23 3.429 5.662 -0.475 1.00 0.60 C ATOM 359 CG2 ILE A 23 1.123 4.807 -1.041 1.00 0.61 C ATOM 360 CD1 ILE A 23 4.296 4.481 -0.040 1.00 0.73 C ATOM 0 H ILE A 23 4.170 6.353 -2.896 1.00 0.51 H new ATOM 0 HA ILE A 23 3.166 3.740 -2.378 1.00 0.48 H new ATOM 0 HB ILE A 23 2.128 6.496 -1.945 1.00 0.52 H new ATOM 0 HG12 ILE A 23 4.105 6.460 -0.783 1.00 0.60 H new ATOM 0 HG13 ILE A 23 2.900 6.016 0.410 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.741 5.372 -0.190 1.00 0.61 H new ATOM 0 HG22 ILE A 23 0.362 4.765 -1.820 1.00 0.61 H new ATOM 0 HG23 ILE A 23 1.372 3.795 -0.722 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.969 4.798 0.757 1.00 0.73 H new ATOM 0 HD12 ILE A 23 3.658 3.675 0.323 1.00 0.73 H new ATOM 0 HD13 ILE A 23 4.881 4.127 -0.889 1.00 0.73 H new ATOM 372 N GLU A 24 1.811 5.378 -4.845 1.00 0.50 N ATOM 373 CA GLU A 24 1.131 5.241 -6.096 1.00 0.53 C ATOM 374 C GLU A 24 1.647 4.122 -6.933 1.00 0.50 C ATOM 375 O GLU A 24 0.892 3.489 -7.669 1.00 0.55 O ATOM 376 CB GLU A 24 1.289 6.557 -6.877 1.00 0.64 C ATOM 377 CG GLU A 24 0.353 6.691 -8.080 1.00 0.95 C ATOM 378 CD GLU A 24 0.691 7.835 -9.025 1.00 1.05 C ATOM 379 OE1 GLU A 24 1.419 7.513 -10.001 1.00 1.62 O ATOM 380 OE2 GLU A 24 0.063 8.927 -8.986 1.00 1.56 O ATOM 0 H GLU A 24 2.214 6.310 -4.746 1.00 0.50 H new ATOM 0 HA GLU A 24 0.088 5.015 -5.876 1.00 0.53 H new ATOM 0 HB2 GLU A 24 1.112 7.392 -6.199 1.00 0.64 H new ATOM 0 HB3 GLU A 24 2.320 6.640 -7.222 1.00 0.64 H new ATOM 0 HG2 GLU A 24 0.370 5.757 -8.642 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -0.666 6.827 -7.717 1.00 0.95 H new ATOM 387 N ASN A 25 2.918 3.680 -6.930 1.00 0.51 N ATOM 388 CA ASN A 25 3.343 2.552 -7.699 1.00 0.52 C ATOM 389 C ASN A 25 2.857 1.276 -7.100 1.00 0.47 C ATOM 390 O ASN A 25 2.414 0.400 -7.843 1.00 0.53 O ATOM 391 CB ASN A 25 4.881 2.586 -7.688 1.00 0.64 C ATOM 392 CG ASN A 25 5.571 1.536 -8.547 1.00 1.23 C ATOM 393 OD1 ASN A 25 5.944 0.463 -8.073 1.00 2.13 O ATOM 394 ND2 ASN A 25 5.751 1.828 -9.863 1.00 1.57 N ATOM 0 H ASN A 25 3.663 4.113 -6.384 1.00 0.51 H new ATOM 0 HA ASN A 25 2.941 2.600 -8.711 1.00 0.52 H new ATOM 0 HB2 ASN A 25 5.207 3.572 -8.020 1.00 0.64 H new ATOM 0 HB3 ASN A 25 5.221 2.468 -6.659 1.00 0.64 H new ATOM 0 HD21 ASN A 25 6.203 1.152 -10.478 1.00 1.57 H new ATOM 0 HD22 ASN A 25 5.434 2.723 -10.235 1.00 1.57 H new ATOM 401 N VAL A 26 2.731 1.181 -5.765 1.00 0.45 N ATOM 402 CA VAL A 26 2.177 0.088 -5.028 1.00 0.44 C ATOM 403 C VAL A 26 0.737 -0.118 -5.348 1.00 0.40 C ATOM 404 O VAL A 26 0.356 -1.259 -5.605 1.00 0.44 O ATOM 405 CB VAL A 26 2.268 0.207 -3.535 1.00 0.50 C ATOM 406 CG1 VAL A 26 1.817 -1.055 -2.782 1.00 0.60 C ATOM 407 CG2 VAL A 26 3.742 0.512 -3.218 1.00 0.62 C ATOM 0 H VAL A 26 3.043 1.933 -5.151 1.00 0.45 H new ATOM 0 HA VAL A 26 2.795 -0.753 -5.343 1.00 0.44 H new ATOM 0 HB VAL A 26 1.591 0.993 -3.200 1.00 0.50 H new ATOM 0 HG11 VAL A 26 1.912 -0.892 -1.709 1.00 0.60 H new ATOM 0 HG12 VAL A 26 0.777 -1.272 -3.026 1.00 0.60 H new ATOM 0 HG13 VAL A 26 2.442 -1.898 -3.077 1.00 0.60 H new ATOM 0 HG21 VAL A 26 3.870 0.610 -2.140 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.369 -0.301 -3.585 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.034 1.443 -3.704 1.00 0.62 H new ATOM 417 N LYS A 27 -0.002 1.004 -5.283 1.00 0.40 N ATOM 418 CA LYS A 27 -1.390 1.062 -5.620 1.00 0.41 C ATOM 419 C LYS A 27 -1.695 0.640 -7.017 1.00 0.38 C ATOM 420 O LYS A 27 -2.548 -0.215 -7.249 1.00 0.42 O ATOM 421 CB LYS A 27 -2.066 2.440 -5.528 1.00 0.51 C ATOM 422 CG LYS A 27 -2.173 3.007 -4.111 1.00 0.76 C ATOM 423 CD LYS A 27 -2.937 4.325 -3.975 1.00 0.82 C ATOM 424 CE LYS A 27 -3.640 4.739 -2.682 1.00 1.22 C ATOM 425 NZ LYS A 27 -4.664 5.763 -2.990 1.00 1.11 N ATOM 0 H LYS A 27 0.380 1.902 -4.986 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.777 0.384 -4.860 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -1.509 3.145 -6.145 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.067 2.367 -5.952 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.656 2.262 -3.478 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.165 3.152 -3.721 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -2.231 5.120 -4.214 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -3.696 4.327 -4.757 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -4.105 3.872 -2.213 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -2.915 5.135 -1.971 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -5.319 5.851 -2.187 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -4.200 6.678 -3.160 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -5.193 5.480 -3.839 1.00 1.11 H new ATOM 439 N ALA A 28 -0.837 1.028 -7.976 1.00 0.39 N ATOM 440 CA ALA A 28 -0.999 0.545 -9.313 1.00 0.39 C ATOM 441 C ALA A 28 -0.853 -0.916 -9.564 1.00 0.36 C ATOM 442 O ALA A 28 -1.555 -1.470 -10.408 1.00 0.42 O ATOM 443 CB ALA A 28 0.089 1.240 -10.150 1.00 0.51 C ATOM 0 H ALA A 28 -0.049 1.660 -7.833 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.037 0.762 -9.564 1.00 0.39 H new ATOM 0 HB1 ALA A 28 0.017 0.910 -11.186 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -0.050 2.320 -10.102 1.00 0.51 H new ATOM 0 HB3 ALA A 28 1.072 0.983 -9.755 1.00 0.51 H new ATOM 449 N LYS A 29 0.047 -1.536 -8.779 1.00 0.39 N ATOM 450 CA LYS A 29 0.149 -2.963 -8.756 1.00 0.43 C ATOM 451 C LYS A 29 -0.976 -3.578 -7.996 1.00 0.44 C ATOM 452 O LYS A 29 -1.434 -4.651 -8.384 1.00 0.54 O ATOM 453 CB LYS A 29 1.428 -3.347 -7.992 1.00 0.54 C ATOM 454 CG LYS A 29 2.679 -2.975 -8.791 1.00 0.65 C ATOM 455 CD LYS A 29 3.824 -3.190 -7.799 1.00 1.08 C ATOM 456 CE LYS A 29 5.237 -2.964 -8.342 1.00 1.24 C ATOM 457 NZ LYS A 29 5.739 -4.033 -9.233 1.00 1.44 N ATOM 0 H LYS A 29 0.701 -1.052 -8.163 1.00 0.39 H new ATOM 0 HA LYS A 29 0.144 -3.312 -9.788 1.00 0.43 H new ATOM 0 HB2 LYS A 29 1.445 -2.840 -7.027 1.00 0.54 H new ATOM 0 HB3 LYS A 29 1.427 -4.418 -7.790 1.00 0.54 H new ATOM 0 HG2 LYS A 29 2.791 -3.604 -9.674 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.639 -1.943 -9.138 1.00 0.65 H new ATOM 0 HD2 LYS A 29 3.672 -2.523 -6.950 1.00 1.08 H new ATOM 0 HD3 LYS A 29 3.762 -4.210 -7.419 1.00 1.08 H new ATOM 0 HE2 LYS A 29 5.255 -2.019 -8.886 1.00 1.24 H new ATOM 0 HE3 LYS A 29 5.922 -2.861 -7.500 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.700 -3.796 -9.552 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 5.758 -4.935 -8.716 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 5.112 -4.120 -10.058 1.00 1.44 H new ATOM 471 N ILE A 30 -1.556 -3.059 -6.899 1.00 0.41 N ATOM 472 CA ILE A 30 -2.799 -3.499 -6.345 1.00 0.44 C ATOM 473 C ILE A 30 -3.916 -3.432 -7.329 1.00 0.45 C ATOM 474 O ILE A 30 -4.778 -4.301 -7.456 1.00 0.56 O ATOM 475 CB ILE A 30 -3.027 -2.764 -5.058 1.00 0.45 C ATOM 476 CG1 ILE A 30 -2.032 -3.137 -3.945 1.00 0.52 C ATOM 477 CG2 ILE A 30 -4.419 -3.215 -4.584 1.00 0.56 C ATOM 478 CD1 ILE A 30 -2.183 -2.151 -2.787 1.00 1.32 C ATOM 0 H ILE A 30 -1.136 -2.293 -6.372 1.00 0.41 H new ATOM 0 HA ILE A 30 -2.758 -4.562 -6.106 1.00 0.44 H new ATOM 0 HB ILE A 30 -2.916 -1.695 -5.239 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -2.218 -4.154 -3.600 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -1.012 -3.113 -4.329 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.661 -2.720 -3.644 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -5.163 -2.950 -5.336 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -4.421 -4.295 -4.436 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -1.481 -2.410 -1.995 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -1.976 -1.141 -3.140 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -3.201 -2.198 -2.399 1.00 1.32 H new ATOM 490 N GLN A 31 -3.987 -2.385 -8.171 1.00 0.41 N ATOM 491 CA GLN A 31 -4.909 -2.274 -9.258 1.00 0.48 C ATOM 492 C GLN A 31 -4.719 -3.305 -10.316 1.00 0.52 C ATOM 493 O GLN A 31 -5.706 -3.812 -10.848 1.00 0.66 O ATOM 494 CB GLN A 31 -4.934 -0.886 -9.919 1.00 0.52 C ATOM 495 CG GLN A 31 -6.030 -0.676 -10.966 1.00 0.70 C ATOM 496 CD GLN A 31 -5.929 0.714 -11.577 1.00 0.97 C ATOM 497 OE1 GLN A 31 -5.081 1.536 -11.231 1.00 1.70 O ATOM 498 NE2 GLN A 31 -6.818 0.805 -12.602 1.00 1.43 N ATOM 0 H GLN A 31 -3.371 -1.576 -8.089 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.871 -2.443 -8.775 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -5.051 -0.133 -9.139 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.967 -0.709 -10.390 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -5.942 -1.430 -11.748 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -7.010 -0.806 -10.506 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -7.472 0.042 -12.779 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -6.831 1.636 -13.194 1.00 1.43 H new ATOM 507 N ASP A 32 -3.457 -3.605 -10.672 1.00 0.50 N ATOM 508 CA ASP A 32 -3.091 -4.693 -11.526 1.00 0.60 C ATOM 509 C ASP A 32 -3.568 -6.040 -11.102 1.00 0.65 C ATOM 510 O ASP A 32 -4.420 -6.674 -11.721 1.00 0.81 O ATOM 511 CB ASP A 32 -1.568 -4.693 -11.743 1.00 0.67 C ATOM 512 CG ASP A 32 -1.235 -5.662 -12.869 1.00 0.91 C ATOM 513 OD1 ASP A 32 -1.923 -5.784 -13.918 1.00 1.51 O ATOM 514 OD2 ASP A 32 -0.304 -6.495 -12.714 1.00 1.55 O ATOM 0 H ASP A 32 -2.655 -3.064 -10.350 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.616 -4.511 -12.464 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -1.222 -3.690 -11.993 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -1.056 -4.988 -10.827 1.00 0.67 H new ATOM 519 N LYS A 33 -3.055 -6.630 -10.007 1.00 0.62 N ATOM 520 CA LYS A 33 -3.388 -7.932 -9.518 1.00 0.73 C ATOM 521 C LYS A 33 -4.776 -8.040 -8.987 1.00 0.69 C ATOM 522 O LYS A 33 -5.644 -8.779 -9.451 1.00 0.83 O ATOM 523 CB LYS A 33 -2.520 -8.443 -8.356 1.00 0.85 C ATOM 524 CG LYS A 33 -1.041 -8.210 -8.669 1.00 1.31 C ATOM 525 CD LYS A 33 -0.271 -8.659 -7.425 1.00 1.71 C ATOM 526 CE LYS A 33 1.200 -8.253 -7.547 1.00 2.26 C ATOM 527 NZ LYS A 33 1.995 -9.246 -8.304 1.00 2.62 N ATOM 0 H LYS A 33 -2.360 -6.164 -9.424 1.00 0.62 H new ATOM 0 HA LYS A 33 -3.231 -8.524 -10.420 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -2.791 -7.928 -7.434 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -2.703 -9.505 -8.193 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -0.733 -8.780 -9.545 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -0.849 -7.160 -8.889 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -0.709 -8.209 -6.534 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -0.350 -9.740 -7.308 1.00 1.71 H new ATOM 0 HE2 LYS A 33 1.267 -7.284 -8.041 1.00 2.26 H new ATOM 0 HE3 LYS A 33 1.626 -8.133 -6.551 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 2.984 -8.929 -8.361 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 1.954 -10.166 -7.820 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 1.607 -9.342 -9.264 1.00 2.62 H new ATOM 541 N GLU A 34 -5.106 -7.240 -7.959 1.00 0.63 N ATOM 542 CA GLU A 34 -6.270 -7.530 -7.182 1.00 0.67 C ATOM 543 C GLU A 34 -7.498 -6.987 -7.828 1.00 0.69 C ATOM 544 O GLU A 34 -8.411 -7.764 -8.107 1.00 0.95 O ATOM 545 CB GLU A 34 -6.264 -6.887 -5.785 1.00 0.73 C ATOM 546 CG GLU A 34 -5.063 -7.301 -4.933 1.00 0.83 C ATOM 547 CD GLU A 34 -5.204 -8.616 -4.178 1.00 0.95 C ATOM 548 OE1 GLU A 34 -6.027 -8.678 -3.227 1.00 1.48 O ATOM 549 OE2 GLU A 34 -4.606 -9.659 -4.555 1.00 1.37 O ATOM 0 H GLU A 34 -4.583 -6.413 -7.670 1.00 0.63 H new ATOM 0 HA GLU A 34 -6.264 -8.617 -7.106 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -6.268 -5.802 -5.892 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -7.182 -7.159 -5.263 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -4.189 -7.368 -5.581 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -4.864 -6.509 -4.211 1.00 0.83 H new ATOM 556 N GLY A 35 -7.411 -5.745 -8.337 1.00 0.63 N ATOM 557 CA GLY A 35 -8.443 -5.216 -9.173 1.00 0.68 C ATOM 558 C GLY A 35 -9.214 -4.139 -8.490 1.00 0.76 C ATOM 559 O GLY A 35 -10.394 -3.879 -8.717 1.00 1.12 O ATOM 0 H GLY A 35 -6.630 -5.110 -8.171 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -8.002 -4.822 -10.089 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -9.121 -6.018 -9.465 1.00 0.68 H new ATOM 563 N ILE A 36 -8.573 -3.386 -7.579 1.00 0.70 N ATOM 564 CA ILE A 36 -9.231 -2.309 -6.905 1.00 0.76 C ATOM 565 C ILE A 36 -8.675 -1.073 -7.525 1.00 0.71 C ATOM 566 O ILE A 36 -7.446 -1.031 -7.536 1.00 0.73 O ATOM 567 CB ILE A 36 -8.875 -2.439 -5.454 1.00 0.88 C ATOM 568 CG1 ILE A 36 -9.374 -3.792 -4.918 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.547 -1.308 -4.657 1.00 1.55 C ATOM 570 CD1 ILE A 36 -8.799 -4.043 -3.525 1.00 1.16 C ATOM 0 H ILE A 36 -7.599 -3.522 -7.309 1.00 0.70 H new ATOM 0 HA ILE A 36 -10.318 -2.299 -6.987 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.792 -2.377 -5.345 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -10.463 -3.798 -4.878 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -9.076 -4.593 -5.594 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -9.288 -1.403 -3.602 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -9.201 -0.344 -5.031 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.629 -1.375 -4.772 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -9.156 -5.003 -3.151 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -7.710 -4.057 -3.578 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -9.120 -3.249 -2.851 1.00 1.16 H new ATOM 582 N PRO A 37 -9.293 -0.005 -7.934 1.00 0.75 N ATOM 583 CA PRO A 37 -8.632 1.171 -8.422 1.00 0.79 C ATOM 584 C PRO A 37 -7.968 1.971 -7.355 1.00 0.75 C ATOM 585 O PRO A 37 -8.392 1.844 -6.207 1.00 0.75 O ATOM 586 CB PRO A 37 -9.789 1.966 -9.024 1.00 0.95 C ATOM 587 CG PRO A 37 -11.019 1.615 -8.172 1.00 1.02 C ATOM 588 CD PRO A 37 -10.742 0.123 -7.931 1.00 0.85 C ATOM 0 HA PRO A 37 -7.826 0.923 -9.113 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -9.585 3.036 -8.996 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -9.947 1.699 -10.069 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -11.064 2.188 -7.246 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -11.957 1.787 -8.700 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.164 -0.207 -6.982 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -11.193 -0.491 -8.710 1.00 0.85 H new ATOM 596 N PRO A 38 -7.006 2.815 -7.583 1.00 0.81 N ATOM 597 CA PRO A 38 -6.337 3.498 -6.515 1.00 0.85 C ATOM 598 C PRO A 38 -7.070 4.593 -5.819 1.00 0.89 C ATOM 599 O PRO A 38 -6.646 4.855 -4.694 1.00 0.99 O ATOM 600 CB PRO A 38 -5.130 4.161 -7.174 1.00 1.01 C ATOM 601 CG PRO A 38 -4.781 3.170 -8.297 1.00 1.25 C ATOM 602 CD PRO A 38 -6.218 2.954 -8.799 1.00 0.98 C ATOM 0 HA PRO A 38 -6.155 2.747 -5.746 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -5.372 5.149 -7.565 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -4.304 4.289 -6.474 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -4.119 3.592 -9.053 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -4.309 2.257 -7.934 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -6.560 3.796 -9.401 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.291 2.064 -9.425 1.00 0.98 H new ATOM 610 N ASP A 39 -8.116 5.157 -6.448 1.00 0.96 N ATOM 611 CA ASP A 39 -8.915 6.150 -5.800 1.00 1.11 C ATOM 612 C ASP A 39 -9.769 5.551 -4.736 1.00 1.00 C ATOM 613 O ASP A 39 -10.411 6.274 -3.976 1.00 1.14 O ATOM 614 CB ASP A 39 -9.843 6.854 -6.805 1.00 1.39 C ATOM 615 CG ASP A 39 -9.179 7.547 -7.987 1.00 1.73 C ATOM 616 OD1 ASP A 39 -8.848 8.751 -7.815 1.00 2.25 O ATOM 617 OD2 ASP A 39 -8.966 6.945 -9.072 1.00 2.23 O ATOM 0 H ASP A 39 -8.407 4.928 -7.398 1.00 0.96 H new ATOM 0 HA ASP A 39 -8.222 6.867 -5.360 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -10.544 6.116 -7.195 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -10.430 7.595 -6.263 1.00 1.39 H new ATOM 622 N GLN A 40 -9.874 4.211 -4.694 1.00 0.87 N ATOM 623 CA GLN A 40 -10.640 3.567 -3.672 1.00 0.84 C ATOM 624 C GLN A 40 -9.782 3.032 -2.577 1.00 0.67 C ATOM 625 O GLN A 40 -10.354 2.755 -1.524 1.00 0.80 O ATOM 626 CB GLN A 40 -11.437 2.463 -4.387 1.00 0.95 C ATOM 627 CG GLN A 40 -12.418 1.673 -3.518 1.00 1.32 C ATOM 628 CD GLN A 40 -13.273 0.751 -4.375 1.00 1.48 C ATOM 629 OE1 GLN A 40 -13.401 -0.448 -4.130 1.00 1.70 O ATOM 630 NE2 GLN A 40 -13.992 1.281 -5.400 1.00 2.02 N ATOM 0 H GLN A 40 -9.433 3.578 -5.361 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.306 4.271 -3.173 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -11.993 2.917 -5.207 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -10.730 1.762 -4.831 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -11.869 1.087 -2.781 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -13.058 2.361 -2.965 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -13.905 2.272 -5.625 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -14.618 0.688 -5.944 1.00 2.02 H new ATOM 639 N GLN A 41 -8.453 2.873 -2.708 1.00 0.56 N ATOM 640 CA GLN A 41 -7.497 2.332 -1.793 1.00 0.51 C ATOM 641 C GLN A 41 -6.960 3.385 -0.886 1.00 0.49 C ATOM 642 O GLN A 41 -6.679 4.504 -1.310 1.00 0.65 O ATOM 643 CB GLN A 41 -6.300 1.793 -2.594 1.00 0.67 C ATOM 644 CG GLN A 41 -6.647 0.671 -3.574 1.00 0.69 C ATOM 645 CD GLN A 41 -5.449 0.220 -4.399 1.00 0.56 C ATOM 646 OE1 GLN A 41 -4.320 0.215 -3.911 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.648 0.003 -5.726 1.00 0.61 N ATOM 0 H GLN A 41 -7.994 3.164 -3.571 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.993 1.556 -1.210 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.850 2.616 -3.148 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.546 1.429 -1.896 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -7.043 -0.180 -3.020 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.437 1.011 -4.244 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.594 0.012 -6.108 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.852 -0.169 -6.340 1.00 0.61 H new ATOM 656 N ARG A 42 -6.772 3.082 0.411 1.00 0.47 N ATOM 657 CA ARG A 42 -6.020 3.793 1.399 1.00 0.55 C ATOM 658 C ARG A 42 -5.005 2.854 1.954 1.00 0.46 C ATOM 659 O ARG A 42 -5.356 1.825 2.529 1.00 0.52 O ATOM 660 CB ARG A 42 -6.916 4.477 2.445 1.00 0.73 C ATOM 661 CG ARG A 42 -7.814 5.575 1.869 1.00 1.04 C ATOM 662 CD ARG A 42 -8.968 6.022 2.768 1.00 1.28 C ATOM 663 NE ARG A 42 -9.662 7.173 2.124 1.00 1.69 N ATOM 664 CZ ARG A 42 -10.686 7.894 2.665 1.00 2.19 C ATOM 665 NH1 ARG A 42 -10.977 7.964 3.997 1.00 2.34 N ATOM 666 NH2 ARG A 42 -11.249 8.884 1.912 1.00 2.78 N ATOM 0 H ARG A 42 -7.196 2.244 0.809 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.493 4.636 0.952 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -7.542 3.723 2.922 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -6.286 4.908 3.223 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -7.196 6.444 1.642 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -8.228 5.223 0.924 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -9.666 5.199 2.923 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -8.592 6.310 3.750 1.00 1.28 H new ATOM 0 HE ARG A 42 -9.342 7.446 1.195 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -10.408 7.452 4.671 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -11.763 8.529 4.318 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -10.902 9.068 0.971 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -12.016 9.439 2.291 1.00 2.78 H new ATOM 680 N LEU A 43 -3.713 3.204 1.831 1.00 0.46 N ATOM 681 CA LEU A 43 -2.659 2.401 2.371 1.00 0.42 C ATOM 682 C LEU A 43 -2.165 3.033 3.627 1.00 0.43 C ATOM 683 O LEU A 43 -2.053 4.245 3.808 1.00 0.55 O ATOM 684 CB LEU A 43 -1.485 2.286 1.386 1.00 0.55 C ATOM 685 CG LEU A 43 -1.821 1.641 0.030 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.698 1.615 -1.021 1.00 1.17 C ATOM 687 CD2 LEU A 43 -2.255 0.177 0.211 1.00 1.12 C ATOM 0 H LEU A 43 -3.396 4.048 1.355 1.00 0.46 H new ATOM 0 HA LEU A 43 -3.052 1.403 2.563 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -1.086 3.284 1.205 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.692 1.706 1.858 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.611 2.293 -0.344 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -1.061 1.135 -1.930 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -0.388 2.635 -1.248 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.153 1.056 -0.631 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -2.487 -0.257 -0.762 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -1.447 -0.387 0.676 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -3.139 0.136 0.847 1.00 1.12 H new ATOM 699 N ILE A 44 -2.079 2.175 4.660 1.00 0.42 N ATOM 700 CA ILE A 44 -1.780 2.652 5.975 1.00 0.46 C ATOM 701 C ILE A 44 -0.483 2.044 6.382 1.00 0.42 C ATOM 702 O ILE A 44 -0.217 0.844 6.328 1.00 0.53 O ATOM 703 CB ILE A 44 -2.837 2.178 6.928 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.292 2.514 6.560 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.453 2.318 8.411 1.00 1.38 C ATOM 706 CD1 ILE A 44 -4.519 4.020 6.428 1.00 1.27 C ATOM 0 H ILE A 44 -2.214 1.167 4.588 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.736 3.741 5.986 1.00 0.46 H new ATOM 0 HB ILE A 44 -2.851 1.099 6.774 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -4.550 2.025 5.620 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -4.960 2.113 7.322 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -3.270 1.954 9.034 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.555 1.733 8.611 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.262 3.366 8.640 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -5.560 4.210 6.167 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -4.288 4.507 7.375 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -3.871 4.419 5.647 1.00 1.27 H new ATOM 718 N PHE A 45 0.431 2.771 7.051 1.00 0.42 N ATOM 719 CA PHE A 45 1.578 2.186 7.671 1.00 0.46 C ATOM 720 C PHE A 45 1.891 2.968 8.900 1.00 0.68 C ATOM 721 O PHE A 45 1.682 4.180 8.930 1.00 1.50 O ATOM 722 CB PHE A 45 2.726 2.048 6.658 1.00 0.56 C ATOM 723 CG PHE A 45 3.985 1.650 7.348 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.179 0.386 7.850 1.00 1.19 C ATOM 725 CD2 PHE A 45 4.998 2.565 7.525 1.00 1.08 C ATOM 726 CE1 PHE A 45 5.353 0.021 8.468 1.00 1.33 C ATOM 727 CE2 PHE A 45 6.178 2.277 8.168 1.00 1.20 C ATOM 728 CZ PHE A 45 6.274 1.014 8.703 1.00 1.02 C ATOM 0 H PHE A 45 0.371 3.783 7.163 1.00 0.42 H new ATOM 0 HA PHE A 45 1.391 1.162 7.996 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.467 1.304 5.904 1.00 0.56 H new ATOM 0 HB3 PHE A 45 2.874 2.993 6.136 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.387 -0.342 7.757 1.00 1.19 H new ATOM 0 HD2 PHE A 45 4.858 3.563 7.138 1.00 1.08 H new ATOM 0 HE1 PHE A 45 5.543 -1.002 8.756 1.00 1.33 H new ATOM 0 HE2 PHE A 45 6.979 2.997 8.248 1.00 1.20 H new ATOM 0 HZ PHE A 45 7.116 0.791 9.341 1.00 1.02 H new ATOM 738 N ALA A 46 2.446 2.332 9.947 1.00 0.81 N ATOM 739 CA ALA A 46 2.799 2.969 11.178 1.00 0.96 C ATOM 740 C ALA A 46 1.725 3.761 11.841 1.00 0.97 C ATOM 741 O ALA A 46 2.005 4.787 12.458 1.00 1.21 O ATOM 742 CB ALA A 46 3.938 3.951 10.853 1.00 1.20 C ATOM 0 H ALA A 46 2.657 1.334 9.936 1.00 0.81 H new ATOM 0 HA ALA A 46 3.051 2.167 11.872 1.00 0.96 H new ATOM 0 HB1 ALA A 46 4.246 4.466 11.763 1.00 1.20 H new ATOM 0 HB2 ALA A 46 4.785 3.402 10.442 1.00 1.20 H new ATOM 0 HB3 ALA A 46 3.591 4.682 10.123 1.00 1.20 H new ATOM 748 N GLY A 47 0.450 3.371 11.667 1.00 0.99 N ATOM 749 CA GLY A 47 -0.696 4.096 12.120 1.00 1.10 C ATOM 750 C GLY A 47 -1.226 5.103 11.158 1.00 1.03 C ATOM 751 O GLY A 47 -2.435 5.322 11.109 1.00 1.30 O ATOM 0 H GLY A 47 0.206 2.505 11.186 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -1.489 3.385 12.351 1.00 1.10 H new ATOM 0 HA3 GLY A 47 -0.441 4.604 13.050 1.00 1.10 H new ATOM 755 N LYS A 48 -0.339 5.675 10.325 1.00 0.98 N ATOM 756 CA LYS A 48 -0.547 6.736 9.388 1.00 1.05 C ATOM 757 C LYS A 48 -1.127 6.312 8.083 1.00 0.84 C ATOM 758 O LYS A 48 -0.720 5.252 7.610 1.00 0.81 O ATOM 759 CB LYS A 48 0.821 7.364 9.067 1.00 1.42 C ATOM 760 CG LYS A 48 1.471 7.781 10.387 1.00 1.61 C ATOM 761 CD LYS A 48 2.600 8.771 10.093 1.00 1.87 C ATOM 762 CE LYS A 48 3.756 8.121 9.332 1.00 2.22 C ATOM 763 NZ LYS A 48 4.942 9.004 9.411 1.00 2.55 N ATOM 0 H LYS A 48 0.630 5.357 10.308 1.00 0.98 H new ATOM 0 HA LYS A 48 -1.256 7.416 9.860 1.00 1.05 H new ATOM 0 HB2 LYS A 48 1.454 6.650 8.539 1.00 1.42 H new ATOM 0 HB3 LYS A 48 0.700 8.227 8.412 1.00 1.42 H new ATOM 0 HG2 LYS A 48 0.731 8.238 11.044 1.00 1.61 H new ATOM 0 HG3 LYS A 48 1.862 6.907 10.907 1.00 1.61 H new ATOM 0 HD2 LYS A 48 2.207 9.605 9.511 1.00 1.87 H new ATOM 0 HD3 LYS A 48 2.972 9.184 11.031 1.00 1.87 H new ATOM 0 HE2 LYS A 48 3.985 7.144 9.758 1.00 2.22 H new ATOM 0 HE3 LYS A 48 3.477 7.958 8.291 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 5.734 8.569 8.895 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 4.717 9.926 8.986 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 5.209 9.138 10.407 1.00 2.55 H new ATOM 777 N GLN A 49 -2.018 7.085 7.437 1.00 0.84 N ATOM 778 CA GLN A 49 -2.417 6.851 6.084 1.00 0.80 C ATOM 779 C GLN A 49 -1.507 7.616 5.187 1.00 0.72 C ATOM 780 O GLN A 49 -1.091 8.742 5.455 1.00 0.83 O ATOM 781 CB GLN A 49 -3.850 7.325 5.787 1.00 1.03 C ATOM 782 CG GLN A 49 -4.281 7.058 4.343 1.00 1.67 C ATOM 783 CD GLN A 49 -5.622 7.706 4.028 1.00 1.92 C ATOM 784 OE1 GLN A 49 -6.572 7.601 4.801 1.00 2.24 O ATOM 785 NE2 GLN A 49 -5.741 8.483 2.916 1.00 2.48 N ATOM 0 H GLN A 49 -2.472 7.892 7.865 1.00 0.84 H new ATOM 0 HA GLN A 49 -2.372 5.774 5.919 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -4.541 6.823 6.465 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.923 8.393 5.990 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -3.522 7.440 3.660 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -4.348 5.983 4.176 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -4.956 8.574 2.271 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -6.615 8.974 2.728 1.00 2.48 H new ATOM 794 N LEU A 50 -1.004 6.937 4.142 1.00 0.69 N ATOM 795 CA LEU A 50 0.005 7.407 3.244 1.00 0.66 C ATOM 796 C LEU A 50 -0.576 8.191 2.119 1.00 0.72 C ATOM 797 O LEU A 50 -1.694 7.939 1.673 1.00 0.90 O ATOM 798 CB LEU A 50 0.834 6.182 2.817 1.00 0.65 C ATOM 799 CG LEU A 50 1.216 5.094 3.834 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.089 4.039 3.135 1.00 0.77 C ATOM 801 CD2 LEU A 50 1.902 5.637 5.099 1.00 0.74 C ATOM 0 H LEU A 50 -1.324 5.997 3.909 1.00 0.69 H new ATOM 0 HA LEU A 50 0.671 8.122 3.728 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.287 5.690 2.013 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.762 6.558 2.387 1.00 0.65 H new ATOM 0 HG LEU A 50 0.290 4.641 4.189 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.365 3.263 3.850 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.531 3.593 2.312 1.00 0.77 H new ATOM 0 HD13 LEU A 50 2.991 4.512 2.747 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.140 4.810 5.767 1.00 0.74 H new ATOM 0 HD22 LEU A 50 2.820 6.155 4.821 1.00 0.74 H new ATOM 0 HD23 LEU A 50 1.232 6.332 5.606 1.00 0.74 H new ATOM 813 N GLU A 51 0.150 9.209 1.622 1.00 0.70 N ATOM 814 CA GLU A 51 -0.257 9.896 0.437 1.00 0.76 C ATOM 815 C GLU A 51 0.368 9.291 -0.774 1.00 0.77 C ATOM 816 O GLU A 51 1.344 8.544 -0.729 1.00 1.23 O ATOM 817 CB GLU A 51 0.111 11.388 0.492 1.00 0.88 C ATOM 818 CG GLU A 51 -0.907 12.434 0.030 1.00 1.35 C ATOM 819 CD GLU A 51 -2.062 12.579 1.009 1.00 1.46 C ATOM 820 OE1 GLU A 51 -2.991 11.739 0.876 1.00 1.94 O ATOM 821 OE2 GLU A 51 -2.126 13.478 1.890 1.00 1.89 O ATOM 0 H GLU A 51 1.014 9.554 2.039 1.00 0.70 H new ATOM 0 HA GLU A 51 -1.341 9.800 0.376 1.00 0.76 H new ATOM 0 HB2 GLU A 51 0.374 11.622 1.524 1.00 0.88 H new ATOM 0 HB3 GLU A 51 1.013 11.524 -0.105 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -0.409 13.396 -0.088 1.00 1.35 H new ATOM 0 HG3 GLU A 51 -1.295 12.154 -0.949 1.00 1.35 H new ATOM 828 N ASP A 52 -0.346 9.501 -1.894 1.00 0.66 N ATOM 829 CA ASP A 52 -0.125 8.742 -3.085 1.00 0.65 C ATOM 830 C ASP A 52 1.174 9.042 -3.752 1.00 0.60 C ATOM 831 O ASP A 52 2.048 8.186 -3.872 1.00 0.62 O ATOM 832 CB ASP A 52 -1.243 8.846 -4.135 1.00 0.81 C ATOM 833 CG ASP A 52 -2.586 9.067 -3.453 1.00 0.95 C ATOM 834 OD1 ASP A 52 -2.782 10.125 -2.798 1.00 1.44 O ATOM 835 OD2 ASP A 52 -3.531 8.247 -3.599 1.00 1.56 O ATOM 0 H ASP A 52 -1.082 10.202 -1.974 1.00 0.66 H new ATOM 0 HA ASP A 52 -0.112 7.720 -2.705 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.034 9.669 -4.819 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -1.276 7.935 -4.733 1.00 0.81 H new ATOM 840 N GLY A 53 1.379 10.256 -4.292 1.00 0.68 N ATOM 841 CA GLY A 53 2.646 10.817 -4.646 1.00 0.73 C ATOM 842 C GLY A 53 3.542 11.068 -3.482 1.00 0.72 C ATOM 843 O GLY A 53 3.974 12.203 -3.289 1.00 0.97 O ATOM 0 H GLY A 53 0.605 10.889 -4.495 1.00 0.68 H new ATOM 0 HA2 GLY A 53 3.149 10.144 -5.341 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.482 11.756 -5.175 1.00 0.73 H new ATOM 847 N ARG A 54 3.974 10.011 -2.770 1.00 0.64 N ATOM 848 CA ARG A 54 5.019 10.102 -1.800 1.00 0.63 C ATOM 849 C ARG A 54 5.831 8.861 -1.945 1.00 0.59 C ATOM 850 O ARG A 54 5.242 7.863 -2.356 1.00 0.62 O ATOM 851 CB ARG A 54 4.553 10.072 -0.335 1.00 0.69 C ATOM 852 CG ARG A 54 5.426 10.860 0.644 1.00 0.82 C ATOM 853 CD ARG A 54 5.411 12.359 0.337 1.00 1.18 C ATOM 854 NE ARG A 54 6.342 12.964 1.331 1.00 1.50 N ATOM 855 CZ ARG A 54 7.080 14.086 1.089 1.00 2.00 C ATOM 856 NH1 ARG A 54 6.676 15.085 0.252 1.00 2.48 N ATOM 857 NH2 ARG A 54 8.122 14.365 1.927 1.00 2.49 N ATOM 0 H ARG A 54 3.588 9.072 -2.872 1.00 0.64 H new ATOM 0 HA ARG A 54 5.526 11.050 -1.983 1.00 0.63 H new ATOM 0 HB2 ARG A 54 3.537 10.463 -0.286 1.00 0.69 H new ATOM 0 HB3 ARG A 54 4.512 9.034 -0.005 1.00 0.69 H new ATOM 0 HG2 ARG A 54 5.073 10.694 1.662 1.00 0.82 H new ATOM 0 HG3 ARG A 54 6.450 10.489 0.598 1.00 0.82 H new ATOM 0 HD2 ARG A 54 5.740 12.556 -0.683 1.00 1.18 H new ATOM 0 HD3 ARG A 54 4.407 12.772 0.434 1.00 1.18 H new ATOM 0 HE ARG A 54 6.433 12.515 2.242 1.00 1.50 H new ATOM 0 HH11 ARG A 54 5.780 15.015 -0.231 1.00 2.48 H new ATOM 0 HH12 ARG A 54 7.270 15.902 0.109 1.00 2.48 H new ATOM 0 HH21 ARG A 54 8.330 13.742 2.707 1.00 2.49 H new ATOM 0 HH22 ARG A 54 8.692 15.196 1.772 1.00 2.49 H new ATOM 871 N THR A 55 7.144 8.835 -1.649 1.00 0.63 N ATOM 872 CA THR A 55 7.964 7.672 -1.797 1.00 0.61 C ATOM 873 C THR A 55 7.879 6.798 -0.594 1.00 0.59 C ATOM 874 O THR A 55 7.303 7.148 0.435 1.00 0.64 O ATOM 875 CB THR A 55 9.400 7.850 -2.194 1.00 0.68 C ATOM 876 OG1 THR A 55 10.165 8.348 -1.107 1.00 0.75 O ATOM 877 CG2 THR A 55 9.456 8.846 -3.364 1.00 0.76 C ATOM 0 H THR A 55 7.650 9.647 -1.296 1.00 0.63 H new ATOM 0 HA THR A 55 7.520 7.204 -2.675 1.00 0.61 H new ATOM 0 HB THR A 55 9.818 6.887 -2.489 1.00 0.68 H new ATOM 0 HG1 THR A 55 11.098 8.455 -1.386 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.492 8.991 -3.669 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.882 8.454 -4.203 1.00 0.76 H new ATOM 0 HG23 THR A 55 9.034 9.801 -3.050 1.00 0.76 H new ATOM 885 N LEU A 56 8.449 5.591 -0.748 1.00 0.58 N ATOM 886 CA LEU A 56 8.604 4.638 0.306 1.00 0.59 C ATOM 887 C LEU A 56 9.604 5.036 1.336 1.00 0.64 C ATOM 888 O LEU A 56 9.432 4.906 2.547 1.00 0.70 O ATOM 889 CB LEU A 56 9.070 3.346 -0.386 1.00 0.60 C ATOM 890 CG LEU A 56 7.955 2.635 -1.170 1.00 0.63 C ATOM 891 CD1 LEU A 56 8.508 1.849 -2.372 1.00 1.05 C ATOM 892 CD2 LEU A 56 7.080 1.757 -0.261 1.00 1.03 C ATOM 0 H LEU A 56 8.817 5.266 -1.642 1.00 0.58 H new ATOM 0 HA LEU A 56 7.662 4.536 0.845 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.888 3.582 -1.066 1.00 0.60 H new ATOM 0 HB3 LEU A 56 9.467 2.664 0.365 1.00 0.60 H new ATOM 0 HG LEU A 56 7.307 3.414 -1.573 1.00 0.63 H new ATOM 0 HD11 LEU A 56 7.686 1.362 -2.898 1.00 1.05 H new ATOM 0 HD12 LEU A 56 9.018 2.533 -3.050 1.00 1.05 H new ATOM 0 HD13 LEU A 56 9.212 1.094 -2.021 1.00 1.05 H new ATOM 0 HD21 LEU A 56 6.306 1.274 -0.857 1.00 1.03 H new ATOM 0 HD22 LEU A 56 7.699 0.996 0.215 1.00 1.03 H new ATOM 0 HD23 LEU A 56 6.614 2.377 0.505 1.00 1.03 H new ATOM 904 N SER A 57 10.762 5.546 0.879 1.00 0.68 N ATOM 905 CA SER A 57 11.882 5.993 1.647 1.00 0.75 C ATOM 906 C SER A 57 11.563 7.071 2.625 1.00 0.76 C ATOM 907 O SER A 57 12.053 7.155 3.750 1.00 0.84 O ATOM 908 CB SER A 57 13.042 6.602 0.842 1.00 0.84 C ATOM 909 OG SER A 57 14.300 6.722 1.491 1.00 1.19 O ATOM 0 H SER A 57 10.927 5.654 -0.122 1.00 0.68 H new ATOM 0 HA SER A 57 12.165 5.052 2.119 1.00 0.75 H new ATOM 0 HB2 SER A 57 13.183 5.998 -0.054 1.00 0.84 H new ATOM 0 HB3 SER A 57 12.738 7.595 0.513 1.00 0.84 H new ATOM 0 HG SER A 57 14.949 7.120 0.875 1.00 1.19 H new ATOM 915 N ASP A 58 10.686 7.999 2.205 1.00 0.75 N ATOM 916 CA ASP A 58 10.232 9.120 2.968 1.00 0.78 C ATOM 917 C ASP A 58 9.597 8.756 4.266 1.00 0.77 C ATOM 918 O ASP A 58 10.086 9.195 5.305 1.00 0.86 O ATOM 919 CB ASP A 58 9.307 10.012 2.123 1.00 0.83 C ATOM 920 CG ASP A 58 8.983 11.361 2.747 1.00 1.23 C ATOM 921 OD1 ASP A 58 10.013 12.047 2.986 1.00 1.86 O ATOM 922 OD2 ASP A 58 7.817 11.675 3.106 1.00 1.90 O ATOM 0 H ASP A 58 10.268 7.964 1.275 1.00 0.75 H new ATOM 0 HA ASP A 58 11.126 9.684 3.235 1.00 0.78 H new ATOM 0 HB2 ASP A 58 9.773 10.178 1.152 1.00 0.83 H new ATOM 0 HB3 ASP A 58 8.375 9.477 1.942 1.00 0.83 H new ATOM 927 N TYR A 59 8.732 7.725 4.258 1.00 0.72 N ATOM 928 CA TYR A 59 8.145 7.121 5.413 1.00 0.73 C ATOM 929 C TYR A 59 8.986 6.060 6.037 1.00 0.76 C ATOM 930 O TYR A 59 8.631 5.332 6.962 1.00 0.89 O ATOM 931 CB TYR A 59 6.840 6.380 5.077 1.00 0.73 C ATOM 932 CG TYR A 59 5.725 7.238 4.583 1.00 0.67 C ATOM 933 CD1 TYR A 59 5.084 8.074 5.467 1.00 0.74 C ATOM 934 CD2 TYR A 59 5.317 7.279 3.271 1.00 0.67 C ATOM 935 CE1 TYR A 59 4.010 8.850 5.102 1.00 0.77 C ATOM 936 CE2 TYR A 59 4.228 8.045 2.929 1.00 0.70 C ATOM 937 CZ TYR A 59 3.550 8.860 3.805 1.00 0.74 C ATOM 938 OH TYR A 59 2.620 9.765 3.252 1.00 0.86 O ATOM 0 H TYR A 59 8.424 7.287 3.390 1.00 0.72 H new ATOM 0 HA TYR A 59 8.006 7.970 6.082 1.00 0.73 H new ATOM 0 HB2 TYR A 59 7.056 5.624 4.322 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.502 5.852 5.969 1.00 0.73 H new ATOM 0 HD1 TYR A 59 5.438 8.123 6.486 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.846 6.715 2.517 1.00 0.67 H new ATOM 0 HE1 TYR A 59 3.519 9.462 5.845 1.00 0.77 H new ATOM 0 HE2 TYR A 59 3.883 8.004 1.907 1.00 0.70 H new ATOM 0 HH TYR A 59 2.911 10.024 2.353 1.00 0.86 H new ATOM 948 N ASN A 60 10.201 5.846 5.501 1.00 0.74 N ATOM 949 CA ASN A 60 11.159 4.918 6.016 1.00 0.79 C ATOM 950 C ASN A 60 10.674 3.509 6.049 1.00 0.75 C ATOM 951 O ASN A 60 11.058 2.740 6.929 1.00 0.86 O ATOM 952 CB ASN A 60 11.630 5.336 7.419 1.00 0.95 C ATOM 953 CG ASN A 60 12.096 6.783 7.478 1.00 1.25 C ATOM 954 OD1 ASN A 60 11.387 7.659 7.969 1.00 1.84 O ATOM 955 ND2 ASN A 60 13.320 7.074 6.959 1.00 1.83 N ATOM 0 H ASN A 60 10.530 6.342 4.672 1.00 0.74 H new ATOM 0 HA ASN A 60 11.996 4.948 5.318 1.00 0.79 H new ATOM 0 HB2 ASN A 60 10.815 5.192 8.129 1.00 0.95 H new ATOM 0 HB3 ASN A 60 12.445 4.684 7.733 1.00 0.95 H new ATOM 0 HD21 ASN A 60 13.665 8.034 6.973 1.00 1.83 H new ATOM 0 HD22 ASN A 60 13.893 6.332 6.556 1.00 1.83 H new ATOM 962 N ILE A 61 9.908 3.100 5.021 1.00 0.67 N ATOM 963 CA ILE A 61 9.412 1.772 4.831 1.00 0.65 C ATOM 964 C ILE A 61 10.540 0.905 4.387 1.00 0.66 C ATOM 965 O ILE A 61 11.074 1.133 3.302 1.00 0.75 O ATOM 966 CB ILE A 61 8.257 1.655 3.882 1.00 0.63 C ATOM 967 CG1 ILE A 61 6.986 2.288 4.474 1.00 0.70 C ATOM 968 CG2 ILE A 61 7.955 0.187 3.538 1.00 0.72 C ATOM 969 CD1 ILE A 61 6.117 3.137 3.548 1.00 0.82 C ATOM 0 H ILE A 61 9.618 3.736 4.278 1.00 0.67 H new ATOM 0 HA ILE A 61 9.011 1.449 5.791 1.00 0.65 H new ATOM 0 HB ILE A 61 8.545 2.186 2.975 1.00 0.63 H new ATOM 0 HG12 ILE A 61 6.366 1.485 4.872 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.283 2.910 5.318 1.00 0.70 H new ATOM 0 HG21 ILE A 61 7.112 0.141 2.848 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.831 -0.265 3.072 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.708 -0.357 4.450 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.258 3.517 4.102 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.702 3.974 3.167 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.770 2.527 2.714 1.00 0.82 H new ATOM 981 N GLN A 62 10.902 -0.100 5.203 1.00 0.67 N ATOM 982 CA GLN A 62 11.993 -0.965 4.876 1.00 0.70 C ATOM 983 C GLN A 62 11.685 -2.183 4.075 1.00 0.62 C ATOM 984 O GLN A 62 10.574 -2.333 3.567 1.00 0.64 O ATOM 985 CB GLN A 62 12.795 -1.294 6.145 1.00 0.85 C ATOM 986 CG GLN A 62 13.712 -0.160 6.606 1.00 1.27 C ATOM 987 CD GLN A 62 14.964 0.043 5.763 1.00 1.57 C ATOM 988 OE1 GLN A 62 15.061 0.919 4.906 1.00 2.08 O ATOM 989 NE2 GLN A 62 15.978 -0.840 5.967 1.00 2.16 N ATOM 0 H GLN A 62 10.441 -0.314 6.087 1.00 0.67 H new ATOM 0 HA GLN A 62 12.598 -0.388 4.177 1.00 0.70 H new ATOM 0 HB2 GLN A 62 12.101 -1.538 6.949 1.00 0.85 H new ATOM 0 HB3 GLN A 62 13.397 -2.184 5.963 1.00 0.85 H new ATOM 0 HG2 GLN A 62 13.141 0.769 6.610 1.00 1.27 H new ATOM 0 HG3 GLN A 62 14.014 -0.353 7.635 1.00 1.27 H new ATOM 0 HE21 GLN A 62 15.888 -1.563 6.680 1.00 2.16 H new ATOM 0 HE22 GLN A 62 16.828 -0.779 5.407 1.00 2.16 H new ATOM 998 N LYS A 63 12.649 -3.089 3.829 1.00 0.64 N ATOM 999 CA LYS A 63 12.453 -4.389 3.266 1.00 0.62 C ATOM 1000 C LYS A 63 11.566 -5.301 4.041 1.00 0.59 C ATOM 1001 O LYS A 63 11.647 -5.346 5.268 1.00 0.66 O ATOM 1002 CB LYS A 63 13.813 -5.020 2.918 1.00 0.74 C ATOM 1003 CG LYS A 63 13.775 -6.468 2.427 1.00 0.89 C ATOM 1004 CD LYS A 63 15.127 -7.011 1.958 1.00 1.11 C ATOM 1005 CE LYS A 63 15.142 -8.432 1.391 1.00 1.47 C ATOM 1006 NZ LYS A 63 15.050 -9.453 2.458 1.00 2.12 N ATOM 0 H LYS A 63 13.629 -2.900 4.038 1.00 0.64 H new ATOM 0 HA LYS A 63 11.885 -4.238 2.348 1.00 0.62 H new ATOM 0 HB2 LYS A 63 14.289 -4.409 2.150 1.00 0.74 H new ATOM 0 HB3 LYS A 63 14.449 -4.974 3.802 1.00 0.74 H new ATOM 0 HG2 LYS A 63 13.401 -7.102 3.231 1.00 0.89 H new ATOM 0 HG3 LYS A 63 13.062 -6.542 1.605 1.00 0.89 H new ATOM 0 HD2 LYS A 63 15.517 -6.337 1.195 1.00 1.11 H new ATOM 0 HD3 LYS A 63 15.818 -6.974 2.800 1.00 1.11 H new ATOM 0 HE2 LYS A 63 14.310 -8.555 0.698 1.00 1.47 H new ATOM 0 HE3 LYS A 63 16.058 -8.585 0.820 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 15.849 -10.113 2.377 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 15.079 -8.987 3.387 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 14.157 -9.977 2.361 1.00 2.12 H new ATOM 1020 N GLU A 64 10.605 -5.982 3.391 1.00 0.57 N ATOM 1021 CA GLU A 64 9.768 -6.962 4.012 1.00 0.58 C ATOM 1022 C GLU A 64 8.890 -6.382 5.068 1.00 0.56 C ATOM 1023 O GLU A 64 8.728 -7.013 6.111 1.00 0.70 O ATOM 1024 CB GLU A 64 10.354 -8.324 4.419 1.00 0.72 C ATOM 1025 CG GLU A 64 10.938 -9.034 3.195 1.00 0.96 C ATOM 1026 CD GLU A 64 11.821 -10.167 3.697 1.00 1.18 C ATOM 1027 OE1 GLU A 64 11.647 -10.769 4.791 1.00 1.69 O ATOM 1028 OE2 GLU A 64 12.727 -10.522 2.898 1.00 1.71 O ATOM 0 H GLU A 64 10.404 -5.846 2.400 1.00 0.57 H new ATOM 0 HA GLU A 64 9.167 -7.262 3.153 1.00 0.58 H new ATOM 0 HB2 GLU A 64 11.130 -8.184 5.172 1.00 0.72 H new ATOM 0 HB3 GLU A 64 9.578 -8.942 4.871 1.00 0.72 H new ATOM 0 HG2 GLU A 64 10.141 -9.422 2.561 1.00 0.96 H new ATOM 0 HG3 GLU A 64 11.517 -8.337 2.588 1.00 0.96 H new ATOM 1035 N SER A 65 8.322 -5.200 4.769 1.00 0.51 N ATOM 1036 CA SER A 65 7.522 -4.440 5.680 1.00 0.51 C ATOM 1037 C SER A 65 6.140 -4.629 5.160 1.00 0.43 C ATOM 1038 O SER A 65 5.975 -5.072 4.024 1.00 0.50 O ATOM 1039 CB SER A 65 7.818 -2.942 5.493 1.00 0.65 C ATOM 1040 OG SER A 65 9.128 -2.576 5.901 1.00 1.04 O ATOM 0 H SER A 65 8.424 -4.756 3.856 1.00 0.51 H new ATOM 0 HA SER A 65 7.687 -4.735 6.716 1.00 0.51 H new ATOM 0 HB2 SER A 65 7.685 -2.680 4.443 1.00 0.65 H new ATOM 0 HB3 SER A 65 7.092 -2.361 6.061 1.00 0.65 H new ATOM 0 HG SER A 65 9.080 -1.798 6.495 1.00 1.04 H new ATOM 1046 N THR A 66 5.097 -4.327 5.953 1.00 0.45 N ATOM 1047 CA THR A 66 3.750 -4.554 5.529 1.00 0.45 C ATOM 1048 C THR A 66 2.955 -3.309 5.720 1.00 0.43 C ATOM 1049 O THR A 66 2.687 -2.767 6.791 1.00 0.58 O ATOM 1050 CB THR A 66 3.068 -5.629 6.323 1.00 0.61 C ATOM 1051 OG1 THR A 66 3.781 -6.839 6.111 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.607 -5.904 5.931 1.00 0.78 C ATOM 0 H THR A 66 5.186 -3.926 6.887 1.00 0.45 H new ATOM 0 HA THR A 66 3.801 -4.859 4.484 1.00 0.45 H new ATOM 0 HB THR A 66 3.061 -5.281 7.356 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.358 -7.562 6.620 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.204 -6.696 6.562 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.017 -4.997 6.066 1.00 0.78 H new ATOM 0 HG23 THR A 66 1.563 -6.214 4.887 1.00 0.78 H new ATOM 1060 N LEU A 67 2.380 -2.938 4.562 1.00 0.38 N ATOM 1061 CA LEU A 67 1.439 -1.861 4.540 1.00 0.38 C ATOM 1062 C LEU A 67 0.069 -2.413 4.725 1.00 0.37 C ATOM 1063 O LEU A 67 -0.127 -3.621 4.589 1.00 0.50 O ATOM 1064 CB LEU A 67 1.470 -1.120 3.192 1.00 0.46 C ATOM 1065 CG LEU A 67 2.904 -0.818 2.726 1.00 0.65 C ATOM 1066 CD1 LEU A 67 2.853 -0.107 1.363 1.00 1.40 C ATOM 1067 CD2 LEU A 67 3.759 0.106 3.610 1.00 1.31 C ATOM 0 H LEU A 67 2.561 -3.373 3.658 1.00 0.38 H new ATOM 0 HA LEU A 67 1.701 -1.166 5.337 1.00 0.38 H new ATOM 0 HB2 LEU A 67 0.964 -1.722 2.437 1.00 0.46 H new ATOM 0 HB3 LEU A 67 0.915 -0.186 3.280 1.00 0.46 H new ATOM 0 HG LEU A 67 3.370 -1.803 2.736 1.00 0.65 H new ATOM 0 HD11 LEU A 67 3.867 0.110 1.028 1.00 1.40 H new ATOM 0 HD12 LEU A 67 2.360 -0.751 0.635 1.00 1.40 H new ATOM 0 HD13 LEU A 67 2.296 0.825 1.459 1.00 1.40 H new ATOM 0 HD21 LEU A 67 4.744 0.230 3.160 1.00 1.31 H new ATOM 0 HD22 LEU A 67 3.274 1.078 3.696 1.00 1.31 H new ATOM 0 HD23 LEU A 67 3.866 -0.335 4.601 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.930 -1.591 5.091 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.189 -2.190 5.416 1.00 0.37 C ATOM 1081 C HIS A 68 -3.272 -1.536 4.628 1.00 0.35 C ATOM 1082 O HIS A 68 -3.415 -0.315 4.644 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.570 -2.076 6.901 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.393 -2.465 7.746 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -0.294 -1.723 8.130 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -1.088 -3.721 8.168 1.00 1.48 C ATOM 1087 CE1 HIS A 68 0.528 -2.568 8.809 1.00 1.41 C ATOM 1088 NE2 HIS A 68 0.121 -3.823 8.825 1.00 1.51 N ATOM 0 H HIS A 68 -0.879 -0.575 5.160 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.081 -3.248 5.177 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.877 -1.056 7.132 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.420 -2.722 7.121 1.00 0.49 H new ATOM 0 HD1 HIS A 68 -0.130 -0.734 7.941 1.00 1.35 H new ATOM 0 HD2 HIS A 68 -1.738 -4.568 8.003 1.00 1.48 H new ATOM 0 HE1 HIS A 68 1.436 -2.240 9.293 1.00 1.41 H new ATOM 1096 N LEU A 69 -3.972 -2.339 3.807 1.00 0.36 N ATOM 1097 CA LEU A 69 -5.028 -1.835 2.985 1.00 0.38 C ATOM 1098 C LEU A 69 -6.310 -1.534 3.682 1.00 0.41 C ATOM 1099 O LEU A 69 -6.856 -2.400 4.364 1.00 0.56 O ATOM 1100 CB LEU A 69 -5.441 -2.776 1.840 1.00 0.48 C ATOM 1101 CG LEU A 69 -6.399 -2.145 0.816 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.848 -0.911 0.083 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -6.715 -3.247 -0.210 1.00 1.14 C ATOM 0 H LEU A 69 -3.806 -3.341 3.712 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.559 -0.919 2.626 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -4.544 -3.113 1.321 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -5.914 -3.661 2.266 1.00 0.48 H new ATOM 0 HG LEU A 69 -7.274 -1.780 1.354 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -6.596 -0.539 -0.617 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -5.611 -0.133 0.808 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.945 -1.185 -0.463 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -7.395 -2.856 -0.967 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -5.792 -3.575 -0.687 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -7.182 -4.092 0.296 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.886 -0.322 3.591 1.00 0.45 N ATOM 1116 CA VAL A 70 -8.183 0.049 4.064 1.00 0.56 C ATOM 1117 C VAL A 70 -8.854 0.579 2.843 1.00 0.55 C ATOM 1118 O VAL A 70 -8.190 1.167 1.991 1.00 0.58 O ATOM 1119 CB VAL A 70 -8.106 1.101 5.130 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -9.407 1.891 5.348 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.857 0.335 6.440 1.00 0.97 C ATOM 0 H VAL A 70 -6.403 0.461 3.150 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.714 -0.785 4.523 1.00 0.56 H new ATOM 0 HB VAL A 70 -7.339 1.817 4.835 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -9.257 2.628 6.136 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -9.684 2.399 4.424 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -10.204 1.206 5.638 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -7.789 1.041 7.267 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -8.681 -0.356 6.620 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -6.925 -0.224 6.363 1.00 0.97 H new ATOM 1131 N LEU A 71 -10.184 0.429 2.711 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.857 0.903 1.541 1.00 0.84 C ATOM 1133 C LEU A 71 -11.909 1.892 1.906 1.00 0.85 C ATOM 1134 O LEU A 71 -12.510 1.903 2.979 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.512 -0.264 0.783 1.00 1.26 C ATOM 1136 CG LEU A 71 -10.574 -1.389 0.317 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -11.407 -2.634 -0.032 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -9.756 -0.932 -0.904 1.00 2.78 C ATOM 0 H LEU A 71 -10.787 -0.014 3.404 1.00 0.73 H new ATOM 0 HA LEU A 71 -10.115 1.381 0.902 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -12.277 -0.701 1.424 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -12.022 0.140 -0.092 1.00 1.26 H new ATOM 0 HG LEU A 71 -9.879 -1.635 1.120 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -10.745 -3.434 -0.363 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -11.959 -2.961 0.849 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -12.109 -2.390 -0.830 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -9.096 -1.739 -1.223 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -10.432 -0.673 -1.719 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -9.159 -0.060 -0.636 1.00 2.78 H new