USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 842 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 8 ASN : amide:sc= 0.447 K(o=1.7,f=0.023) USER MOD Set 1.2: A 39 LYS NZ :NH3+ -138:sc= 1.23 (180deg=-0.199) USER MOD Set 2.1: A 27 HIS : no HE2:sc= 0.155 K(o=1.5,f=-6.2) USER MOD Set 2.2: A 28 LYS NZ :NH3+ -155:sc= 1.33 (180deg=0) USER MOD Set 3.1: A 2 SER OG : rot 170:sc= -0.0789 USER MOD Set 3.2: A 3 MET CE :methyl -179:sc= -3.23 (180deg=-3.1) USER MOD Single : A 1 MET CE :methyl -141:sc= -0.888 (180deg=-2.88!) USER MOD Single : A 1 MET N :NH3+ -134:sc= 0.153 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 27:sc= 1.08 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 84:sc= 0.514 USER MOD Single : A 22 THR OG1 : rot 116:sc= 1.01 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 33 MET CE :methyl -155:sc= 0 (180deg=-0.00305) USER MOD Single : A 37 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.488) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot -139:sc= 0.794 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HE2:sc= 0.33 K(o=0.33,f=-2.8!) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -167:sc= 1.5 (180deg=1.36) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -81:sc= 1.07 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 73:sc= 1.22 USER MOD Single : A 79 SER OG : rot 180:sc= 0.1 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot -101:sc= 1.2 USER MOD Single : A 110 SER OG : rot -3:sc= 1.03 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.592 -1.232 14.792 1.00 5.61 N ATOM 2 CA MET A 1 9.209 -2.616 14.426 1.00 4.51 C ATOM 3 C MET A 1 8.406 -2.572 13.121 1.00 2.56 C ATOM 4 O MET A 1 8.547 -1.590 12.400 1.00 3.19 O ATOM 5 CB MET A 1 8.467 -3.298 15.593 1.00 4.83 C ATOM 6 CG MET A 1 8.698 -4.813 15.646 1.00 5.65 C ATOM 7 SD MET A 1 10.269 -5.313 16.409 1.00 8.10 S ATOM 8 CE MET A 1 11.416 -5.295 15.006 1.00 9.16 C ATOM 0 H1 MET A 1 10.596 -1.210 15.063 1.00 5.61 H new ATOM 0 H2 MET A 1 9.439 -0.603 13.978 1.00 5.61 H new ATOM 0 H3 MET A 1 9.010 -0.911 15.592 1.00 5.61 H new ATOM 0 HA MET A 1 10.091 -3.231 14.246 1.00 4.51 H new ATOM 0 HB2 MET A 1 8.793 -2.853 16.533 1.00 4.83 H new ATOM 0 HB3 MET A 1 7.399 -3.102 15.501 1.00 4.83 H new ATOM 0 HG2 MET A 1 7.879 -5.273 16.198 1.00 5.65 H new ATOM 0 HG3 MET A 1 8.660 -5.209 14.631 1.00 5.65 H new ATOM 0 HE1 MET A 1 12.102 -6.138 15.086 1.00 9.16 H new ATOM 0 HE2 MET A 1 10.854 -5.371 14.075 1.00 9.16 H new ATOM 0 HE3 MET A 1 11.983 -4.364 15.012 1.00 9.16 H new ATOM 20 N SER A 2 7.572 -3.578 12.829 1.00 1.85 N ATOM 21 CA SER A 2 6.663 -3.651 11.673 1.00 1.90 C ATOM 22 C SER A 2 7.357 -4.137 10.387 1.00 1.29 C ATOM 23 O SER A 2 8.256 -4.982 10.459 1.00 0.98 O ATOM 24 CB SER A 2 5.843 -2.353 11.532 1.00 3.41 C ATOM 25 OG SER A 2 4.641 -2.633 10.850 1.00 5.17 O ATOM 0 H SER A 2 7.508 -4.406 13.421 1.00 1.85 H new ATOM 0 HA SER A 2 5.932 -4.436 11.866 1.00 1.90 H new ATOM 0 HB2 SER A 2 5.628 -1.937 12.516 1.00 3.41 H new ATOM 0 HB3 SER A 2 6.417 -1.604 10.987 1.00 3.41 H new ATOM 0 HG SER A 2 4.048 -1.854 10.899 1.00 5.17 H new ATOM 31 N MET A 3 6.884 -3.685 9.217 1.00 1.50 N ATOM 32 CA MET A 3 7.441 -3.946 7.882 1.00 1.08 C ATOM 33 C MET A 3 8.954 -3.716 7.812 1.00 0.92 C ATOM 34 O MET A 3 9.440 -2.591 7.714 1.00 2.30 O ATOM 35 CB MET A 3 6.654 -3.199 6.798 1.00 1.31 C ATOM 36 CG MET A 3 6.441 -1.705 7.014 1.00 1.41 C ATOM 37 SD MET A 3 4.796 -1.181 6.470 1.00 2.28 S ATOM 38 CE MET A 3 3.858 -1.891 7.834 1.00 2.81 C ATOM 0 H MET A 3 6.054 -3.093 9.175 1.00 1.50 H new ATOM 0 HA MET A 3 7.316 -5.010 7.679 1.00 1.08 H new ATOM 0 HB2 MET A 3 7.170 -3.335 5.848 1.00 1.31 H new ATOM 0 HB3 MET A 3 5.677 -3.672 6.700 1.00 1.31 H new ATOM 0 HG2 MET A 3 6.568 -1.468 8.070 1.00 1.41 H new ATOM 0 HG3 MET A 3 7.201 -1.146 6.468 1.00 1.41 H new ATOM 0 HE1 MET A 3 2.796 -1.696 7.686 1.00 2.81 H new ATOM 0 HE2 MET A 3 4.028 -2.967 7.871 1.00 2.81 H new ATOM 0 HE3 MET A 3 4.182 -1.440 8.772 1.00 2.81 H new ATOM 48 N THR A 4 9.680 -4.829 7.949 1.00 0.73 N ATOM 49 CA THR A 4 11.079 -4.990 8.379 1.00 0.41 C ATOM 50 C THR A 4 11.250 -6.432 8.852 1.00 0.55 C ATOM 51 O THR A 4 12.040 -7.179 8.277 1.00 0.84 O ATOM 52 CB THR A 4 11.453 -4.011 9.520 1.00 0.87 C ATOM 53 OG1 THR A 4 11.617 -2.718 8.995 1.00 1.31 O ATOM 54 CG2 THR A 4 12.775 -4.346 10.218 1.00 1.13 C ATOM 0 H THR A 4 9.262 -5.736 7.741 1.00 0.73 H new ATOM 0 HA THR A 4 11.741 -4.765 7.543 1.00 0.41 H new ATOM 0 HB THR A 4 10.639 -4.088 10.241 1.00 0.87 H new ATOM 0 HG1 THR A 4 11.067 -2.620 8.190 1.00 1.31 H new ATOM 0 HG21 THR A 4 12.967 -3.615 11.004 1.00 1.13 H new ATOM 0 HG22 THR A 4 12.713 -5.342 10.656 1.00 1.13 H new ATOM 0 HG23 THR A 4 13.587 -4.319 9.491 1.00 1.13 H new ATOM 62 N ASP A 5 10.475 -6.804 9.876 1.00 0.67 N ATOM 63 CA ASP A 5 10.621 -8.040 10.652 1.00 0.87 C ATOM 64 C ASP A 5 9.372 -8.923 10.544 1.00 0.82 C ATOM 65 O ASP A 5 9.480 -10.121 10.313 1.00 1.10 O ATOM 66 CB ASP A 5 10.884 -7.640 12.107 1.00 1.06 C ATOM 67 CG ASP A 5 11.159 -8.842 13.006 1.00 1.41 C ATOM 68 OD1 ASP A 5 12.294 -9.360 12.928 1.00 2.42 O ATOM 69 OD2 ASP A 5 10.239 -9.187 13.778 1.00 1.76 O ATOM 0 H ASP A 5 9.697 -6.229 10.200 1.00 0.67 H new ATOM 0 HA ASP A 5 11.450 -8.630 10.261 1.00 0.87 H new ATOM 0 HB2 ASP A 5 11.735 -6.960 12.145 1.00 1.06 H new ATOM 0 HB3 ASP A 5 10.023 -7.093 12.491 1.00 1.06 H new ATOM 74 N LEU A 6 8.192 -8.298 10.643 1.00 0.66 N ATOM 75 CA LEU A 6 6.878 -8.918 10.453 1.00 0.70 C ATOM 76 C LEU A 6 6.800 -9.556 9.055 1.00 0.61 C ATOM 77 O LEU A 6 6.544 -10.750 8.898 1.00 0.68 O ATOM 78 CB LEU A 6 5.805 -7.825 10.665 1.00 0.82 C ATOM 79 CG LEU A 6 5.413 -7.504 12.124 1.00 1.07 C ATOM 80 CD1 LEU A 6 4.678 -8.658 12.810 1.00 2.55 C ATOM 81 CD2 LEU A 6 6.595 -7.087 13.007 1.00 1.96 C ATOM 0 H LEU A 6 8.126 -7.305 10.867 1.00 0.66 H new ATOM 0 HA LEU A 6 6.708 -9.719 11.172 1.00 0.70 H new ATOM 0 HB2 LEU A 6 6.160 -6.906 10.199 1.00 0.82 H new ATOM 0 HB3 LEU A 6 4.904 -8.126 10.130 1.00 0.82 H new ATOM 0 HG LEU A 6 4.740 -6.652 12.026 1.00 1.07 H new ATOM 0 HD11 LEU A 6 4.428 -8.374 13.832 1.00 2.55 H new ATOM 0 HD12 LEU A 6 3.763 -8.883 12.262 1.00 2.55 H new ATOM 0 HD13 LEU A 6 5.319 -9.540 12.825 1.00 2.55 H new ATOM 0 HD21 LEU A 6 6.240 -6.878 14.016 1.00 1.96 H new ATOM 0 HD22 LEU A 6 7.327 -7.894 13.040 1.00 1.96 H new ATOM 0 HD23 LEU A 6 7.060 -6.192 12.594 1.00 1.96 H new ATOM 93 N LEU A 7 7.113 -8.750 8.036 1.00 0.58 N ATOM 94 CA LEU A 7 7.210 -9.194 6.653 1.00 0.58 C ATOM 95 C LEU A 7 8.602 -9.732 6.341 1.00 0.65 C ATOM 96 O LEU A 7 8.780 -10.944 6.336 1.00 1.34 O ATOM 97 CB LEU A 7 6.749 -8.092 5.684 1.00 0.66 C ATOM 98 CG LEU A 7 5.263 -7.753 5.903 1.00 0.90 C ATOM 99 CD1 LEU A 7 5.115 -6.481 6.728 1.00 2.72 C ATOM 100 CD2 LEU A 7 4.506 -7.646 4.577 1.00 1.77 C ATOM 0 H LEU A 7 7.308 -7.756 8.157 1.00 0.58 H new ATOM 0 HA LEU A 7 6.526 -10.030 6.509 1.00 0.58 H new ATOM 0 HB2 LEU A 7 7.355 -7.198 5.829 1.00 0.66 H new ATOM 0 HB3 LEU A 7 6.904 -8.419 4.656 1.00 0.66 H new ATOM 0 HG LEU A 7 4.815 -8.574 6.463 1.00 0.90 H new ATOM 0 HD11 LEU A 7 4.057 -6.261 6.870 1.00 2.72 H new ATOM 0 HD12 LEU A 7 5.591 -6.620 7.699 1.00 2.72 H new ATOM 0 HD13 LEU A 7 5.591 -5.651 6.206 1.00 2.72 H new ATOM 0 HD21 LEU A 7 3.461 -7.406 4.773 1.00 1.77 H new ATOM 0 HD22 LEU A 7 4.951 -6.860 3.967 1.00 1.77 H new ATOM 0 HD23 LEU A 7 4.566 -8.596 4.046 1.00 1.77 H new ATOM 112 N ASN A 8 9.543 -8.844 6.010 1.00 0.44 N ATOM 113 CA ASN A 8 10.886 -9.105 5.488 1.00 0.38 C ATOM 114 C ASN A 8 11.396 -7.805 4.850 1.00 0.36 C ATOM 115 O ASN A 8 10.852 -7.379 3.829 1.00 0.44 O ATOM 116 CB ASN A 8 10.877 -10.172 4.371 1.00 0.48 C ATOM 117 CG ASN A 8 11.080 -11.622 4.778 1.00 0.71 C ATOM 118 OD1 ASN A 8 11.764 -11.948 5.734 1.00 1.28 O ATOM 119 ND2 ASN A 8 10.529 -12.536 4.002 1.00 1.52 N ATOM 0 H ASN A 8 9.371 -7.843 6.108 1.00 0.44 H new ATOM 0 HA ASN A 8 11.508 -9.457 6.311 1.00 0.38 H new ATOM 0 HB2 ASN A 8 9.924 -10.101 3.847 1.00 0.48 H new ATOM 0 HB3 ASN A 8 11.655 -9.913 3.653 1.00 0.48 H new ATOM 0 HD21 ASN A 8 10.673 -13.526 4.199 1.00 1.52 H new ATOM 0 HD22 ASN A 8 9.959 -12.252 3.205 1.00 1.52 H new ATOM 126 N ALA A 9 12.453 -7.198 5.395 1.00 0.33 N ATOM 127 CA ALA A 9 13.156 -6.089 4.745 1.00 0.31 C ATOM 128 C ALA A 9 13.513 -6.356 3.261 1.00 0.28 C ATOM 129 O ALA A 9 13.404 -5.451 2.437 1.00 0.30 O ATOM 130 CB ALA A 9 14.395 -5.757 5.582 1.00 0.39 C ATOM 0 H ALA A 9 12.846 -7.461 6.299 1.00 0.33 H new ATOM 0 HA ALA A 9 12.483 -5.232 4.706 1.00 0.31 H new ATOM 0 HB1 ALA A 9 14.937 -4.933 5.118 1.00 0.39 H new ATOM 0 HB2 ALA A 9 14.088 -5.470 6.588 1.00 0.39 H new ATOM 0 HB3 ALA A 9 15.043 -6.632 5.636 1.00 0.39 H new ATOM 136 N GLU A 10 13.880 -7.594 2.896 1.00 0.34 N ATOM 137 CA GLU A 10 14.174 -8.029 1.516 1.00 0.44 C ATOM 138 C GLU A 10 12.956 -7.932 0.579 1.00 0.48 C ATOM 139 O GLU A 10 13.045 -7.438 -0.547 1.00 0.61 O ATOM 140 CB GLU A 10 14.656 -9.490 1.543 1.00 0.57 C ATOM 141 CG GLU A 10 15.965 -9.682 2.321 1.00 1.14 C ATOM 142 CD GLU A 10 16.364 -11.160 2.340 1.00 1.69 C ATOM 143 OE1 GLU A 10 15.886 -11.866 3.256 1.00 2.48 O ATOM 144 OE2 GLU A 10 17.133 -11.559 1.437 1.00 2.57 O ATOM 0 H GLU A 10 13.985 -8.348 3.575 1.00 0.34 H new ATOM 0 HA GLU A 10 14.940 -7.359 1.127 1.00 0.44 H new ATOM 0 HB2 GLU A 10 13.881 -10.113 1.990 1.00 0.57 H new ATOM 0 HB3 GLU A 10 14.795 -9.839 0.520 1.00 0.57 H new ATOM 0 HG2 GLU A 10 16.758 -9.091 1.863 1.00 1.14 H new ATOM 0 HG3 GLU A 10 15.845 -9.318 3.341 1.00 1.14 H new ATOM 151 N ASP A 11 11.804 -8.389 1.071 1.00 0.45 N ATOM 152 CA ASP A 11 10.517 -8.367 0.378 1.00 0.52 C ATOM 153 C ASP A 11 10.076 -6.894 0.220 1.00 0.46 C ATOM 154 O ASP A 11 9.766 -6.449 -0.885 1.00 0.47 O ATOM 155 CB ASP A 11 9.467 -9.228 1.127 1.00 0.60 C ATOM 156 CG ASP A 11 9.760 -10.734 1.311 1.00 0.86 C ATOM 157 OD1 ASP A 11 10.780 -11.227 0.791 1.00 1.47 O ATOM 158 OD2 ASP A 11 8.988 -11.406 2.051 1.00 2.24 O ATOM 0 H ASP A 11 11.740 -8.801 2.002 1.00 0.45 H new ATOM 0 HA ASP A 11 10.612 -8.811 -0.613 1.00 0.52 H new ATOM 0 HB2 ASP A 11 9.323 -8.793 2.116 1.00 0.60 H new ATOM 0 HB3 ASP A 11 8.519 -9.135 0.597 1.00 0.60 H new ATOM 163 N ILE A 12 10.144 -6.105 1.305 1.00 0.43 N ATOM 164 CA ILE A 12 9.953 -4.641 1.332 1.00 0.41 C ATOM 165 C ILE A 12 10.849 -3.907 0.333 1.00 0.40 C ATOM 166 O ILE A 12 10.369 -3.019 -0.373 1.00 0.40 O ATOM 167 CB ILE A 12 10.103 -4.126 2.787 1.00 0.41 C ATOM 168 CG1 ILE A 12 8.730 -4.014 3.479 1.00 0.53 C ATOM 169 CG2 ILE A 12 10.784 -2.764 2.925 1.00 0.49 C ATOM 170 CD1 ILE A 12 8.284 -5.343 4.073 1.00 0.59 C ATOM 0 H ILE A 12 10.343 -6.485 2.230 1.00 0.43 H new ATOM 0 HA ILE A 12 8.940 -4.417 0.999 1.00 0.41 H new ATOM 0 HB ILE A 12 10.743 -4.872 3.258 1.00 0.41 H new ATOM 0 HG12 ILE A 12 8.781 -3.263 4.267 1.00 0.53 H new ATOM 0 HG13 ILE A 12 7.987 -3.671 2.759 1.00 0.53 H new ATOM 0 HG21 ILE A 12 10.842 -2.491 3.979 1.00 0.49 H new ATOM 0 HG22 ILE A 12 11.790 -2.816 2.508 1.00 0.49 H new ATOM 0 HG23 ILE A 12 10.207 -2.012 2.387 1.00 0.49 H new ATOM 0 HD11 ILE A 12 7.312 -5.220 4.551 1.00 0.59 H new ATOM 0 HD12 ILE A 12 8.207 -6.088 3.281 1.00 0.59 H new ATOM 0 HD13 ILE A 12 9.013 -5.674 4.813 1.00 0.59 H new ATOM 182 N LYS A 13 12.126 -4.275 0.225 1.00 0.42 N ATOM 183 CA LYS A 13 13.056 -3.709 -0.743 1.00 0.45 C ATOM 184 C LYS A 13 12.539 -3.874 -2.181 1.00 0.44 C ATOM 185 O LYS A 13 12.498 -2.886 -2.918 1.00 0.50 O ATOM 186 CB LYS A 13 14.429 -4.332 -0.446 1.00 0.58 C ATOM 187 CG LYS A 13 15.477 -4.208 -1.541 1.00 1.08 C ATOM 188 CD LYS A 13 15.789 -2.741 -1.888 1.00 1.84 C ATOM 189 CE LYS A 13 17.088 -2.615 -2.688 1.00 2.68 C ATOM 190 NZ LYS A 13 17.379 -1.196 -3.008 1.00 3.77 N ATOM 0 H LYS A 13 12.547 -4.988 0.820 1.00 0.42 H new ATOM 0 HA LYS A 13 13.154 -2.627 -0.650 1.00 0.45 H new ATOM 0 HB2 LYS A 13 14.825 -3.872 0.460 1.00 0.58 H new ATOM 0 HB3 LYS A 13 14.285 -5.390 -0.229 1.00 0.58 H new ATOM 0 HG2 LYS A 13 16.393 -4.706 -1.223 1.00 1.08 H new ATOM 0 HG3 LYS A 13 15.128 -4.724 -2.435 1.00 1.08 H new ATOM 0 HD2 LYS A 13 14.965 -2.319 -2.463 1.00 1.84 H new ATOM 0 HD3 LYS A 13 15.868 -2.158 -0.970 1.00 1.84 H new ATOM 0 HE2 LYS A 13 17.914 -3.040 -2.117 1.00 2.68 H new ATOM 0 HE3 LYS A 13 17.009 -3.191 -3.610 1.00 2.68 H new ATOM 0 HZ1 LYS A 13 18.264 -1.137 -3.551 1.00 3.77 H new ATOM 0 HZ2 LYS A 13 16.600 -0.801 -3.572 1.00 3.77 H new ATOM 0 HZ3 LYS A 13 17.477 -0.654 -2.126 1.00 3.77 H new ATOM 204 N LYS A 14 12.091 -5.075 -2.576 1.00 0.43 N ATOM 205 CA LYS A 14 11.440 -5.273 -3.887 1.00 0.49 C ATOM 206 C LYS A 14 10.065 -4.607 -3.983 1.00 0.51 C ATOM 207 O LYS A 14 9.726 -4.113 -5.055 1.00 0.56 O ATOM 208 CB LYS A 14 11.367 -6.761 -4.258 1.00 0.52 C ATOM 209 CG LYS A 14 12.773 -7.326 -4.514 1.00 0.71 C ATOM 210 CD LYS A 14 12.742 -8.728 -5.145 1.00 1.40 C ATOM 211 CE LYS A 14 13.038 -8.665 -6.650 1.00 2.37 C ATOM 212 NZ LYS A 14 13.074 -10.018 -7.253 1.00 3.39 N ATOM 0 H LYS A 14 12.165 -5.922 -2.012 1.00 0.43 H new ATOM 0 HA LYS A 14 12.073 -4.771 -4.618 1.00 0.49 H new ATOM 0 HB2 LYS A 14 10.886 -7.318 -3.454 1.00 0.52 H new ATOM 0 HB3 LYS A 14 10.750 -6.889 -5.148 1.00 0.52 H new ATOM 0 HG2 LYS A 14 13.319 -6.648 -5.171 1.00 0.71 H new ATOM 0 HG3 LYS A 14 13.321 -7.368 -3.572 1.00 0.71 H new ATOM 0 HD2 LYS A 14 13.476 -9.367 -4.654 1.00 1.40 H new ATOM 0 HD3 LYS A 14 11.764 -9.181 -4.982 1.00 1.40 H new ATOM 0 HE2 LYS A 14 12.276 -8.064 -7.147 1.00 2.37 H new ATOM 0 HE3 LYS A 14 13.994 -8.167 -6.813 1.00 2.37 H new ATOM 0 HZ1 LYS A 14 13.276 -9.939 -8.270 1.00 3.39 H new ATOM 0 HZ2 LYS A 14 13.818 -10.583 -6.795 1.00 3.39 H new ATOM 0 HZ3 LYS A 14 12.154 -10.483 -7.118 1.00 3.39 H new ATOM 226 N ALA A 15 9.315 -4.523 -2.882 1.00 0.48 N ATOM 227 CA ALA A 15 8.041 -3.815 -2.810 1.00 0.52 C ATOM 228 C ALA A 15 8.188 -2.343 -3.193 1.00 0.43 C ATOM 229 O ALA A 15 7.579 -1.895 -4.160 1.00 0.42 O ATOM 230 CB ALA A 15 7.464 -3.945 -1.400 1.00 0.59 C ATOM 0 H ALA A 15 9.585 -4.955 -1.998 1.00 0.48 H new ATOM 0 HA ALA A 15 7.358 -4.269 -3.528 1.00 0.52 H new ATOM 0 HB1 ALA A 15 6.512 -3.416 -1.346 1.00 0.59 H new ATOM 0 HB2 ALA A 15 7.308 -4.998 -1.167 1.00 0.59 H new ATOM 0 HB3 ALA A 15 8.160 -3.513 -0.681 1.00 0.59 H new ATOM 236 N VAL A 16 9.020 -1.586 -2.467 1.00 0.38 N ATOM 237 CA VAL A 16 9.247 -0.168 -2.765 1.00 0.32 C ATOM 238 C VAL A 16 9.706 0.004 -4.218 1.00 0.30 C ATOM 239 O VAL A 16 9.207 0.880 -4.915 1.00 0.35 O ATOM 240 CB VAL A 16 10.228 0.467 -1.764 1.00 0.30 C ATOM 241 CG1 VAL A 16 10.426 1.961 -2.029 1.00 0.53 C ATOM 242 CG2 VAL A 16 9.714 0.369 -0.322 1.00 0.68 C ATOM 0 H VAL A 16 9.548 -1.934 -1.667 1.00 0.38 H new ATOM 0 HA VAL A 16 8.303 0.365 -2.652 1.00 0.32 H new ATOM 0 HB VAL A 16 11.159 -0.085 -1.892 1.00 0.30 H new ATOM 0 HG11 VAL A 16 11.126 2.370 -1.300 1.00 0.53 H new ATOM 0 HG12 VAL A 16 10.824 2.103 -3.034 1.00 0.53 H new ATOM 0 HG13 VAL A 16 9.469 2.476 -1.942 1.00 0.53 H new ATOM 0 HG21 VAL A 16 10.435 0.829 0.353 1.00 0.68 H new ATOM 0 HG22 VAL A 16 8.759 0.888 -0.240 1.00 0.68 H new ATOM 0 HG23 VAL A 16 9.582 -0.679 -0.053 1.00 0.68 H new ATOM 252 N GLY A 17 10.562 -0.902 -4.710 1.00 0.29 N ATOM 253 CA GLY A 17 11.021 -0.936 -6.099 1.00 0.31 C ATOM 254 C GLY A 17 9.925 -1.156 -7.153 1.00 0.34 C ATOM 255 O GLY A 17 10.186 -0.915 -8.327 1.00 0.48 O ATOM 0 H GLY A 17 10.961 -1.646 -4.138 1.00 0.29 H new ATOM 0 HA2 GLY A 17 11.529 0.003 -6.319 1.00 0.31 H new ATOM 0 HA3 GLY A 17 11.762 -1.729 -6.199 1.00 0.31 H new ATOM 259 N ALA A 18 8.719 -1.590 -6.763 1.00 0.39 N ATOM 260 CA ALA A 18 7.579 -1.806 -7.652 1.00 0.43 C ATOM 261 C ALA A 18 6.839 -0.485 -7.952 1.00 0.40 C ATOM 262 O ALA A 18 6.829 -0.029 -9.093 1.00 0.78 O ATOM 263 CB ALA A 18 6.682 -2.874 -7.014 1.00 0.63 C ATOM 0 H ALA A 18 8.508 -1.806 -5.789 1.00 0.39 H new ATOM 0 HA ALA A 18 7.912 -2.166 -8.625 1.00 0.43 H new ATOM 0 HB1 ALA A 18 5.821 -3.057 -7.656 1.00 0.63 H new ATOM 0 HB2 ALA A 18 7.247 -3.798 -6.893 1.00 0.63 H new ATOM 0 HB3 ALA A 18 6.340 -2.527 -6.039 1.00 0.63 H new ATOM 269 N PHE A 19 6.288 0.178 -6.920 1.00 0.47 N ATOM 270 CA PHE A 19 5.627 1.493 -7.036 1.00 0.49 C ATOM 271 C PHE A 19 6.615 2.659 -7.285 1.00 0.47 C ATOM 272 O PHE A 19 6.157 3.777 -7.510 1.00 0.56 O ATOM 273 CB PHE A 19 4.818 1.794 -5.761 1.00 0.55 C ATOM 274 CG PHE A 19 3.664 0.868 -5.392 1.00 0.53 C ATOM 275 CD1 PHE A 19 3.075 0.019 -6.345 1.00 1.68 C ATOM 276 CD2 PHE A 19 3.128 0.896 -4.087 1.00 1.59 C ATOM 277 CE1 PHE A 19 1.998 -0.800 -5.985 1.00 1.74 C ATOM 278 CE2 PHE A 19 2.054 0.069 -3.724 1.00 1.53 C ATOM 279 CZ PHE A 19 1.489 -0.789 -4.677 1.00 0.56 C ATOM 0 H PHE A 19 6.289 -0.188 -5.968 1.00 0.47 H new ATOM 0 HA PHE A 19 4.974 1.426 -7.906 1.00 0.49 H new ATOM 0 HB2 PHE A 19 5.514 1.805 -4.922 1.00 0.55 H new ATOM 0 HB3 PHE A 19 4.416 2.803 -5.855 1.00 0.55 H new ATOM 0 HD1 PHE A 19 3.454 -0.002 -7.356 1.00 1.68 H new ATOM 0 HD2 PHE A 19 3.552 1.566 -3.354 1.00 1.59 H new ATOM 0 HE1 PHE A 19 1.553 -1.449 -6.724 1.00 1.74 H new ATOM 0 HE2 PHE A 19 1.665 0.094 -2.717 1.00 1.53 H new ATOM 0 HZ PHE A 19 0.668 -1.437 -4.407 1.00 0.56 H new ATOM 289 N SER A 20 7.944 2.444 -7.250 1.00 0.47 N ATOM 290 CA SER A 20 8.988 3.425 -7.620 1.00 0.55 C ATOM 291 C SER A 20 8.943 3.826 -9.107 1.00 0.57 C ATOM 292 O SER A 20 9.861 3.564 -9.885 1.00 0.75 O ATOM 293 CB SER A 20 10.384 2.917 -7.223 1.00 0.71 C ATOM 294 OG SER A 20 10.635 3.244 -5.873 1.00 1.71 O ATOM 0 H SER A 20 8.337 1.551 -6.953 1.00 0.47 H new ATOM 0 HA SER A 20 8.774 4.332 -7.055 1.00 0.55 H new ATOM 0 HB2 SER A 20 10.444 1.838 -7.365 1.00 0.71 H new ATOM 0 HB3 SER A 20 11.142 3.366 -7.865 1.00 0.71 H new ATOM 0 HG SER A 20 10.234 2.565 -5.292 1.00 1.71 H new ATOM 300 N ALA A 21 7.866 4.511 -9.487 1.00 0.51 N ATOM 301 CA ALA A 21 7.555 5.072 -10.795 1.00 0.61 C ATOM 302 C ALA A 21 6.652 6.312 -10.619 1.00 0.69 C ATOM 303 O ALA A 21 6.382 6.730 -9.492 1.00 1.32 O ATOM 304 CB ALA A 21 6.879 3.973 -11.623 1.00 0.75 C ATOM 0 H ALA A 21 7.119 4.704 -8.820 1.00 0.51 H new ATOM 0 HA ALA A 21 8.453 5.402 -11.317 1.00 0.61 H new ATOM 0 HB1 ALA A 21 6.632 4.362 -12.611 1.00 0.75 H new ATOM 0 HB2 ALA A 21 7.557 3.125 -11.725 1.00 0.75 H new ATOM 0 HB3 ALA A 21 5.966 3.650 -11.122 1.00 0.75 H new ATOM 310 N THR A 22 6.189 6.926 -11.719 1.00 0.63 N ATOM 311 CA THR A 22 5.245 8.053 -11.653 1.00 0.72 C ATOM 312 C THR A 22 3.828 7.553 -11.355 1.00 1.17 C ATOM 313 O THR A 22 3.339 7.751 -10.248 1.00 2.71 O ATOM 314 CB THR A 22 5.306 8.941 -12.914 1.00 0.67 C ATOM 315 OG1 THR A 22 4.986 8.230 -14.090 1.00 1.05 O ATOM 316 CG2 THR A 22 6.703 9.537 -13.106 1.00 1.20 C ATOM 0 H THR A 22 6.454 6.660 -12.667 1.00 0.63 H new ATOM 0 HA THR A 22 5.548 8.694 -10.825 1.00 0.72 H new ATOM 0 HB THR A 22 4.569 9.728 -12.752 1.00 0.67 H new ATOM 0 HG1 THR A 22 4.163 8.594 -14.479 1.00 1.05 H new ATOM 0 HG21 THR A 22 6.714 10.157 -14.002 1.00 1.20 H new ATOM 0 HG22 THR A 22 6.961 10.146 -12.240 1.00 1.20 H new ATOM 0 HG23 THR A 22 7.430 8.732 -13.213 1.00 1.20 H new ATOM 324 N ASP A 23 3.181 6.919 -12.338 1.00 0.61 N ATOM 325 CA ASP A 23 1.780 6.475 -12.382 1.00 0.64 C ATOM 326 C ASP A 23 1.632 4.947 -12.575 1.00 0.63 C ATOM 327 O ASP A 23 0.518 4.424 -12.626 1.00 0.94 O ATOM 328 CB ASP A 23 0.978 7.331 -13.391 1.00 0.80 C ATOM 329 CG ASP A 23 1.744 7.738 -14.654 1.00 1.78 C ATOM 330 OD1 ASP A 23 2.640 8.613 -14.525 1.00 2.89 O ATOM 331 OD2 ASP A 23 1.445 7.176 -15.726 1.00 2.84 O ATOM 0 H ASP A 23 3.667 6.681 -13.203 1.00 0.61 H new ATOM 0 HA ASP A 23 1.335 6.649 -11.402 1.00 0.64 H new ATOM 0 HB2 ASP A 23 0.088 6.776 -13.688 1.00 0.80 H new ATOM 0 HB3 ASP A 23 0.636 8.234 -12.886 1.00 0.80 H new ATOM 336 N SER A 24 2.751 4.211 -12.621 1.00 0.55 N ATOM 337 CA SER A 24 2.828 2.766 -12.897 1.00 0.59 C ATOM 338 C SER A 24 2.512 1.886 -11.666 1.00 0.67 C ATOM 339 O SER A 24 3.302 1.031 -11.265 1.00 1.30 O ATOM 340 CB SER A 24 4.207 2.444 -13.489 1.00 0.71 C ATOM 341 OG SER A 24 4.149 1.261 -14.258 1.00 1.29 O ATOM 0 H SER A 24 3.670 4.623 -12.460 1.00 0.55 H new ATOM 0 HA SER A 24 2.051 2.522 -13.621 1.00 0.59 H new ATOM 0 HB2 SER A 24 4.545 3.273 -14.111 1.00 0.71 H new ATOM 0 HB3 SER A 24 4.936 2.329 -12.687 1.00 0.71 H new ATOM 0 HG SER A 24 5.035 1.069 -14.630 1.00 1.29 H new ATOM 347 N PHE A 25 1.351 2.103 -11.046 1.00 0.65 N ATOM 348 CA PHE A 25 0.899 1.389 -9.845 1.00 0.66 C ATOM 349 C PHE A 25 0.586 -0.099 -10.110 1.00 0.90 C ATOM 350 O PHE A 25 -0.365 -0.420 -10.828 1.00 1.96 O ATOM 351 CB PHE A 25 -0.384 2.068 -9.347 1.00 0.77 C ATOM 352 CG PHE A 25 -0.932 1.478 -8.069 1.00 1.04 C ATOM 353 CD1 PHE A 25 -0.232 1.652 -6.862 1.00 1.61 C ATOM 354 CD2 PHE A 25 -2.137 0.752 -8.083 1.00 2.83 C ATOM 355 CE1 PHE A 25 -0.723 1.097 -5.676 1.00 1.59 C ATOM 356 CE2 PHE A 25 -2.622 0.187 -6.893 1.00 3.17 C ATOM 357 CZ PHE A 25 -1.894 0.333 -5.697 1.00 1.77 C ATOM 0 H PHE A 25 0.679 2.798 -11.372 1.00 0.65 H new ATOM 0 HA PHE A 25 1.705 1.428 -9.112 1.00 0.66 H new ATOM 0 HB2 PHE A 25 -0.185 3.128 -9.190 1.00 0.77 H new ATOM 0 HB3 PHE A 25 -1.145 1.998 -10.124 1.00 0.77 H new ATOM 0 HD1 PHE A 25 0.689 2.217 -6.851 1.00 1.61 H new ATOM 0 HD2 PHE A 25 -2.686 0.630 -9.005 1.00 2.83 H new ATOM 0 HE1 PHE A 25 -0.199 1.258 -4.746 1.00 1.59 H new ATOM 0 HE2 PHE A 25 -3.553 -0.360 -6.895 1.00 3.17 H new ATOM 0 HZ PHE A 25 -2.241 -0.146 -4.793 1.00 1.77 H new ATOM 367 N ASP A 26 1.321 -1.027 -9.486 1.00 0.54 N ATOM 368 CA ASP A 26 1.227 -2.468 -9.745 1.00 0.63 C ATOM 369 C ASP A 26 0.877 -3.305 -8.495 1.00 0.62 C ATOM 370 O ASP A 26 1.523 -4.313 -8.218 1.00 0.77 O ATOM 371 CB ASP A 26 2.510 -2.920 -10.472 1.00 0.82 C ATOM 372 CG ASP A 26 3.785 -2.901 -9.616 1.00 2.58 C ATOM 373 OD1 ASP A 26 3.803 -2.180 -8.591 1.00 4.19 O ATOM 374 OD2 ASP A 26 4.722 -3.633 -10.009 1.00 3.34 O ATOM 0 H ASP A 26 2.011 -0.792 -8.773 1.00 0.54 H new ATOM 0 HA ASP A 26 0.376 -2.655 -10.399 1.00 0.63 H new ATOM 0 HB2 ASP A 26 2.359 -3.932 -10.848 1.00 0.82 H new ATOM 0 HB3 ASP A 26 2.663 -2.277 -11.339 1.00 0.82 H new ATOM 379 N HIS A 27 -0.184 -2.927 -7.756 1.00 0.63 N ATOM 380 CA HIS A 27 -0.620 -3.517 -6.467 1.00 0.69 C ATOM 381 C HIS A 27 -0.432 -5.029 -6.338 1.00 0.60 C ATOM 382 O HIS A 27 0.145 -5.513 -5.369 1.00 0.55 O ATOM 383 CB HIS A 27 -2.086 -3.167 -6.161 1.00 0.94 C ATOM 384 CG HIS A 27 -3.104 -3.484 -7.239 1.00 1.90 C ATOM 385 ND1 HIS A 27 -4.128 -4.402 -7.140 1.00 2.85 N ATOM 386 CD2 HIS A 27 -3.240 -2.860 -8.451 1.00 3.09 C ATOM 387 CE1 HIS A 27 -4.855 -4.341 -8.267 1.00 3.68 C ATOM 388 NE2 HIS A 27 -4.336 -3.432 -9.106 1.00 3.86 N ATOM 0 H HIS A 27 -0.793 -2.165 -8.053 1.00 0.63 H new ATOM 0 HA HIS A 27 0.049 -3.063 -5.736 1.00 0.69 H new ATOM 0 HB2 HIS A 27 -2.378 -3.693 -5.252 1.00 0.94 H new ATOM 0 HB3 HIS A 27 -2.142 -2.100 -5.944 1.00 0.94 H new ATOM 0 HD1 HIS A 27 -4.303 -5.020 -6.348 1.00 2.85 H new ATOM 0 HD2 HIS A 27 -2.613 -2.068 -8.833 1.00 3.09 H new ATOM 0 HE1 HIS A 27 -5.732 -4.938 -8.469 1.00 3.68 H new ATOM 396 N LYS A 28 -0.909 -5.760 -7.342 1.00 0.64 N ATOM 397 CA LYS A 28 -0.739 -7.194 -7.582 1.00 0.70 C ATOM 398 C LYS A 28 0.710 -7.618 -7.330 1.00 0.49 C ATOM 399 O LYS A 28 0.985 -8.393 -6.414 1.00 0.46 O ATOM 400 CB LYS A 28 -1.135 -7.443 -9.046 1.00 0.98 C ATOM 401 CG LYS A 28 -2.618 -7.130 -9.270 1.00 1.13 C ATOM 402 CD LYS A 28 -2.964 -6.750 -10.715 1.00 2.15 C ATOM 403 CE LYS A 28 -2.400 -5.369 -11.096 1.00 2.27 C ATOM 404 NZ LYS A 28 -3.450 -4.454 -11.602 1.00 3.17 N ATOM 0 H LYS A 28 -1.474 -5.328 -8.073 1.00 0.64 H new ATOM 0 HA LYS A 28 -1.360 -7.780 -6.905 1.00 0.70 H new ATOM 0 HB2 LYS A 28 -0.525 -6.823 -9.703 1.00 0.98 H new ATOM 0 HB3 LYS A 28 -0.934 -8.481 -9.310 1.00 0.98 H new ATOM 0 HG2 LYS A 28 -3.210 -7.999 -8.982 1.00 1.13 H new ATOM 0 HG3 LYS A 28 -2.910 -6.313 -8.610 1.00 1.13 H new ATOM 0 HD2 LYS A 28 -2.566 -7.504 -11.394 1.00 2.15 H new ATOM 0 HD3 LYS A 28 -4.047 -6.747 -10.840 1.00 2.15 H new ATOM 0 HE2 LYS A 28 -1.920 -4.922 -10.225 1.00 2.27 H new ATOM 0 HE3 LYS A 28 -1.629 -5.491 -11.857 1.00 2.27 H new ATOM 0 HZ1 LYS A 28 -3.018 -3.738 -12.220 1.00 3.17 H new ATOM 0 HZ2 LYS A 28 -4.154 -4.998 -12.142 1.00 3.17 H new ATOM 0 HZ3 LYS A 28 -3.916 -3.984 -10.800 1.00 3.17 H new ATOM 418 N LYS A 29 1.624 -7.069 -8.138 1.00 0.50 N ATOM 419 CA LYS A 29 3.059 -7.312 -8.098 1.00 0.42 C ATOM 420 C LYS A 29 3.646 -6.856 -6.764 1.00 0.30 C ATOM 421 O LYS A 29 4.363 -7.625 -6.144 1.00 0.34 O ATOM 422 CB LYS A 29 3.760 -6.560 -9.245 1.00 0.58 C ATOM 423 CG LYS A 29 4.420 -7.481 -10.275 1.00 0.72 C ATOM 424 CD LYS A 29 5.110 -6.618 -11.339 1.00 1.40 C ATOM 425 CE LYS A 29 5.804 -7.491 -12.385 1.00 1.79 C ATOM 426 NZ LYS A 29 6.402 -6.659 -13.455 1.00 2.81 N ATOM 0 H LYS A 29 1.363 -6.411 -8.872 1.00 0.50 H new ATOM 0 HA LYS A 29 3.223 -8.384 -8.212 1.00 0.42 H new ATOM 0 HB2 LYS A 29 3.031 -5.927 -9.751 1.00 0.58 H new ATOM 0 HB3 LYS A 29 4.518 -5.899 -8.824 1.00 0.58 H new ATOM 0 HG2 LYS A 29 5.146 -8.132 -9.788 1.00 0.72 H new ATOM 0 HG3 LYS A 29 3.673 -8.126 -10.738 1.00 0.72 H new ATOM 0 HD2 LYS A 29 4.375 -5.976 -11.825 1.00 1.40 H new ATOM 0 HD3 LYS A 29 5.840 -5.963 -10.864 1.00 1.40 H new ATOM 0 HE2 LYS A 29 6.580 -8.090 -11.908 1.00 1.79 H new ATOM 0 HE3 LYS A 29 5.086 -8.187 -12.818 1.00 1.79 H new ATOM 0 HZ1 LYS A 29 6.867 -7.273 -14.153 1.00 2.81 H new ATOM 0 HZ2 LYS A 29 5.656 -6.106 -13.923 1.00 2.81 H new ATOM 0 HZ3 LYS A 29 7.103 -6.012 -13.041 1.00 2.81 H new ATOM 440 N PHE A 30 3.311 -5.645 -6.306 1.00 0.32 N ATOM 441 CA PHE A 30 3.745 -5.092 -5.018 1.00 0.39 C ATOM 442 C PHE A 30 3.439 -6.037 -3.847 1.00 0.41 C ATOM 443 O PHE A 30 4.353 -6.415 -3.115 1.00 0.55 O ATOM 444 CB PHE A 30 3.089 -3.722 -4.827 1.00 0.52 C ATOM 445 CG PHE A 30 3.414 -3.028 -3.519 1.00 0.69 C ATOM 446 CD1 PHE A 30 4.601 -2.293 -3.403 1.00 1.62 C ATOM 447 CD2 PHE A 30 2.512 -3.048 -2.441 1.00 1.97 C ATOM 448 CE1 PHE A 30 4.907 -1.606 -2.218 1.00 1.66 C ATOM 449 CE2 PHE A 30 2.802 -2.350 -1.258 1.00 2.17 C ATOM 450 CZ PHE A 30 4.006 -1.636 -1.143 1.00 1.20 C ATOM 0 H PHE A 30 2.716 -5.006 -6.834 1.00 0.32 H new ATOM 0 HA PHE A 30 4.829 -4.978 -5.029 1.00 0.39 H new ATOM 0 HB2 PHE A 30 3.393 -3.074 -5.649 1.00 0.52 H new ATOM 0 HB3 PHE A 30 2.008 -3.841 -4.898 1.00 0.52 H new ATOM 0 HD1 PHE A 30 5.289 -2.255 -4.235 1.00 1.62 H new ATOM 0 HD2 PHE A 30 1.590 -3.604 -2.523 1.00 1.97 H new ATOM 0 HE1 PHE A 30 5.833 -1.056 -2.134 1.00 1.66 H new ATOM 0 HE2 PHE A 30 2.100 -2.362 -0.437 1.00 2.17 H new ATOM 0 HZ PHE A 30 4.238 -1.111 -0.228 1.00 1.20 H new ATOM 460 N PHE A 31 2.178 -6.465 -3.693 1.00 0.37 N ATOM 461 CA PHE A 31 1.762 -7.408 -2.650 1.00 0.37 C ATOM 462 C PHE A 31 2.448 -8.775 -2.783 1.00 0.33 C ATOM 463 O PHE A 31 2.753 -9.403 -1.769 1.00 0.41 O ATOM 464 CB PHE A 31 0.241 -7.600 -2.647 1.00 0.43 C ATOM 465 CG PHE A 31 -0.542 -6.608 -1.797 1.00 0.69 C ATOM 466 CD1 PHE A 31 -0.496 -5.230 -2.080 1.00 1.99 C ATOM 467 CD2 PHE A 31 -1.356 -7.061 -0.738 1.00 1.64 C ATOM 468 CE1 PHE A 31 -1.184 -4.309 -1.270 1.00 2.16 C ATOM 469 CE2 PHE A 31 -2.035 -6.147 0.078 1.00 1.70 C ATOM 470 CZ PHE A 31 -1.934 -4.774 -0.179 1.00 1.17 C ATOM 0 H PHE A 31 1.413 -6.162 -4.295 1.00 0.37 H new ATOM 0 HA PHE A 31 2.073 -6.965 -1.704 1.00 0.37 H new ATOM 0 HB2 PHE A 31 -0.118 -7.535 -3.674 1.00 0.43 H new ATOM 0 HB3 PHE A 31 0.020 -8.608 -2.295 1.00 0.43 H new ATOM 0 HD1 PHE A 31 0.073 -4.877 -2.927 1.00 1.99 H new ATOM 0 HD2 PHE A 31 -1.457 -8.121 -0.555 1.00 1.64 H new ATOM 0 HE1 PHE A 31 -1.135 -3.252 -1.486 1.00 2.16 H new ATOM 0 HE2 PHE A 31 -2.635 -6.500 0.904 1.00 1.70 H new ATOM 0 HZ PHE A 31 -2.436 -4.069 0.466 1.00 1.17 H new ATOM 480 N GLN A 32 2.688 -9.243 -4.012 1.00 0.29 N ATOM 481 CA GLN A 32 3.432 -10.475 -4.280 1.00 0.29 C ATOM 482 C GLN A 32 4.916 -10.326 -3.886 1.00 0.34 C ATOM 483 O GLN A 32 5.424 -11.140 -3.119 1.00 0.38 O ATOM 484 CB GLN A 32 3.226 -10.869 -5.756 1.00 0.33 C ATOM 485 CG GLN A 32 1.790 -11.378 -6.007 1.00 0.41 C ATOM 486 CD GLN A 32 1.374 -11.330 -7.478 1.00 0.94 C ATOM 487 OE1 GLN A 32 2.134 -11.637 -8.382 1.00 1.93 O ATOM 488 NE2 GLN A 32 0.136 -10.975 -7.777 1.00 0.94 N ATOM 0 H GLN A 32 2.367 -8.771 -4.857 1.00 0.29 H new ATOM 0 HA GLN A 32 3.051 -11.288 -3.662 1.00 0.29 H new ATOM 0 HB2 GLN A 32 3.426 -10.009 -6.395 1.00 0.33 H new ATOM 0 HB3 GLN A 32 3.942 -11.644 -6.031 1.00 0.33 H new ATOM 0 HG2 GLN A 32 1.709 -12.404 -5.648 1.00 0.41 H new ATOM 0 HG3 GLN A 32 1.093 -10.779 -5.421 1.00 0.41 H new ATOM 0 HE21 GLN A 32 -0.513 -10.715 -7.035 1.00 0.94 H new ATOM 0 HE22 GLN A 32 -0.170 -10.961 -8.750 1.00 0.94 H new ATOM 497 N MET A 33 5.592 -9.263 -4.342 1.00 0.40 N ATOM 498 CA MET A 33 6.989 -8.921 -4.043 1.00 0.54 C ATOM 499 C MET A 33 7.243 -8.698 -2.549 1.00 0.61 C ATOM 500 O MET A 33 8.217 -9.231 -2.026 1.00 0.71 O ATOM 501 CB MET A 33 7.401 -7.664 -4.828 1.00 0.62 C ATOM 502 CG MET A 33 7.601 -7.943 -6.320 1.00 0.70 C ATOM 503 SD MET A 33 7.891 -6.439 -7.285 1.00 2.01 S ATOM 504 CE MET A 33 8.236 -7.150 -8.912 1.00 1.75 C ATOM 0 H MET A 33 5.155 -8.582 -4.963 1.00 0.40 H new ATOM 0 HA MET A 33 7.594 -9.775 -4.349 1.00 0.54 H new ATOM 0 HB2 MET A 33 6.637 -6.896 -4.705 1.00 0.62 H new ATOM 0 HB3 MET A 33 8.325 -7.265 -4.409 1.00 0.62 H new ATOM 0 HG2 MET A 33 8.446 -8.619 -6.448 1.00 0.70 H new ATOM 0 HG3 MET A 33 6.721 -8.455 -6.710 1.00 0.70 H new ATOM 0 HE1 MET A 33 8.847 -6.456 -9.490 1.00 1.75 H new ATOM 0 HE2 MET A 33 8.772 -8.092 -8.791 1.00 1.75 H new ATOM 0 HE3 MET A 33 7.298 -7.331 -9.436 1.00 1.75 H new ATOM 514 N VAL A 34 6.371 -7.947 -1.857 1.00 0.60 N ATOM 515 CA VAL A 34 6.445 -7.732 -0.401 1.00 0.65 C ATOM 516 C VAL A 34 6.007 -8.965 0.410 1.00 0.64 C ATOM 517 O VAL A 34 6.087 -8.961 1.638 1.00 0.77 O ATOM 518 CB VAL A 34 5.639 -6.482 -0.009 1.00 0.65 C ATOM 519 CG1 VAL A 34 4.155 -6.729 0.175 1.00 0.73 C ATOM 520 CG2 VAL A 34 6.183 -5.809 1.254 1.00 0.62 C ATOM 0 H VAL A 34 5.586 -7.466 -2.297 1.00 0.60 H new ATOM 0 HA VAL A 34 7.493 -7.568 -0.149 1.00 0.65 H new ATOM 0 HB VAL A 34 5.763 -5.818 -0.865 1.00 0.65 H new ATOM 0 HG11 VAL A 34 3.662 -5.796 0.450 1.00 0.73 H new ATOM 0 HG12 VAL A 34 3.730 -7.103 -0.757 1.00 0.73 H new ATOM 0 HG13 VAL A 34 4.004 -7.466 0.964 1.00 0.73 H new ATOM 0 HG21 VAL A 34 5.579 -4.932 1.488 1.00 0.62 H new ATOM 0 HG22 VAL A 34 6.141 -6.511 2.087 1.00 0.62 H new ATOM 0 HG23 VAL A 34 7.216 -5.504 1.088 1.00 0.62 H new ATOM 530 N GLY A 35 5.516 -10.019 -0.257 1.00 0.49 N ATOM 531 CA GLY A 35 4.991 -11.217 0.384 1.00 0.49 C ATOM 532 C GLY A 35 3.730 -10.970 1.216 1.00 0.50 C ATOM 533 O GLY A 35 3.394 -11.810 2.041 1.00 0.57 O ATOM 0 H GLY A 35 5.475 -10.056 -1.275 1.00 0.49 H new ATOM 0 HA2 GLY A 35 4.770 -11.960 -0.382 1.00 0.49 H new ATOM 0 HA3 GLY A 35 5.762 -11.641 1.027 1.00 0.49 H new ATOM 537 N LEU A 36 3.012 -9.859 1.020 1.00 0.49 N ATOM 538 CA LEU A 36 1.846 -9.442 1.810 1.00 0.58 C ATOM 539 C LEU A 36 0.811 -10.569 1.910 1.00 0.54 C ATOM 540 O LEU A 36 0.505 -11.044 2.997 1.00 0.59 O ATOM 541 CB LEU A 36 1.239 -8.175 1.175 1.00 0.63 C ATOM 542 CG LEU A 36 1.154 -6.970 2.125 1.00 1.11 C ATOM 543 CD1 LEU A 36 1.029 -5.646 1.357 1.00 0.93 C ATOM 544 CD2 LEU A 36 -0.026 -7.175 3.076 1.00 1.76 C ATOM 0 H LEU A 36 3.236 -9.198 0.276 1.00 0.49 H new ATOM 0 HA LEU A 36 2.162 -9.215 2.828 1.00 0.58 H new ATOM 0 HB2 LEU A 36 1.836 -7.897 0.306 1.00 0.63 H new ATOM 0 HB3 LEU A 36 0.238 -8.408 0.813 1.00 0.63 H new ATOM 0 HG LEU A 36 2.078 -6.905 2.700 1.00 1.11 H new ATOM 0 HD11 LEU A 36 0.972 -4.819 2.065 1.00 0.93 H new ATOM 0 HD12 LEU A 36 1.900 -5.514 0.715 1.00 0.93 H new ATOM 0 HD13 LEU A 36 0.127 -5.664 0.746 1.00 0.93 H new ATOM 0 HD21 LEU A 36 -0.097 -6.326 3.756 1.00 1.76 H new ATOM 0 HD22 LEU A 36 -0.948 -7.257 2.500 1.00 1.76 H new ATOM 0 HD23 LEU A 36 0.125 -8.089 3.651 1.00 1.76 H new ATOM 556 N LYS A 37 0.353 -11.050 0.747 1.00 0.46 N ATOM 557 CA LYS A 37 -0.510 -12.237 0.589 1.00 0.46 C ATOM 558 C LYS A 37 0.055 -13.528 1.220 1.00 0.40 C ATOM 559 O LYS A 37 -0.726 -14.427 1.519 1.00 0.43 O ATOM 560 CB LYS A 37 -0.772 -12.528 -0.901 1.00 0.56 C ATOM 561 CG LYS A 37 -1.870 -11.675 -1.560 1.00 0.65 C ATOM 562 CD LYS A 37 -2.453 -12.402 -2.783 1.00 0.71 C ATOM 563 CE LYS A 37 -1.450 -12.545 -3.932 1.00 0.64 C ATOM 564 NZ LYS A 37 -2.013 -13.353 -5.041 1.00 1.09 N ATOM 0 H LYS A 37 0.579 -10.610 -0.145 1.00 0.46 H new ATOM 0 HA LYS A 37 -1.426 -11.978 1.119 1.00 0.46 H new ATOM 0 HB2 LYS A 37 0.157 -12.380 -1.451 1.00 0.56 H new ATOM 0 HB3 LYS A 37 -1.041 -13.579 -1.006 1.00 0.56 H new ATOM 0 HG2 LYS A 37 -2.662 -11.470 -0.839 1.00 0.65 H new ATOM 0 HG3 LYS A 37 -1.458 -10.712 -1.863 1.00 0.65 H new ATOM 0 HD2 LYS A 37 -2.794 -13.392 -2.481 1.00 0.71 H new ATOM 0 HD3 LYS A 37 -3.328 -11.858 -3.138 1.00 0.71 H new ATOM 0 HE2 LYS A 37 -1.174 -11.557 -4.302 1.00 0.64 H new ATOM 0 HE3 LYS A 37 -0.537 -13.014 -3.565 1.00 0.64 H new ATOM 0 HZ1 LYS A 37 -1.238 -13.759 -5.603 1.00 1.09 H new ATOM 0 HZ2 LYS A 37 -2.596 -14.120 -4.650 1.00 1.09 H new ATOM 0 HZ3 LYS A 37 -2.600 -12.747 -5.649 1.00 1.09 H new ATOM 578 N LYS A 38 1.383 -13.660 1.373 1.00 0.39 N ATOM 579 CA LYS A 38 2.052 -14.827 1.983 1.00 0.40 C ATOM 580 C LYS A 38 2.200 -14.680 3.504 1.00 0.36 C ATOM 581 O LYS A 38 2.356 -15.686 4.195 1.00 0.45 O ATOM 582 CB LYS A 38 3.395 -15.129 1.263 1.00 0.50 C ATOM 583 CG LYS A 38 4.687 -14.873 2.072 1.00 1.19 C ATOM 584 CD LYS A 38 5.978 -15.128 1.271 1.00 1.22 C ATOM 585 CE LYS A 38 6.812 -16.282 1.849 1.00 2.19 C ATOM 586 NZ LYS A 38 6.130 -17.591 1.707 1.00 4.04 N ATOM 0 H LYS A 38 2.040 -12.941 1.069 1.00 0.39 H new ATOM 0 HA LYS A 38 1.412 -15.698 1.839 1.00 0.40 H new ATOM 0 HB2 LYS A 38 3.388 -16.174 0.954 1.00 0.50 H new ATOM 0 HB3 LYS A 38 3.437 -14.528 0.355 1.00 0.50 H new ATOM 0 HG2 LYS A 38 4.686 -13.842 2.425 1.00 1.19 H new ATOM 0 HG3 LYS A 38 4.685 -15.512 2.955 1.00 1.19 H new ATOM 0 HD2 LYS A 38 5.721 -15.353 0.236 1.00 1.22 H new ATOM 0 HD3 LYS A 38 6.580 -14.219 1.260 1.00 1.22 H new ATOM 0 HE2 LYS A 38 7.777 -16.320 1.343 1.00 2.19 H new ATOM 0 HE3 LYS A 38 7.012 -16.091 2.903 1.00 2.19 H new ATOM 0 HZ1 LYS A 38 6.729 -18.340 2.110 1.00 4.04 H new ATOM 0 HZ2 LYS A 38 5.221 -17.565 2.211 1.00 4.04 H new ATOM 0 HZ3 LYS A 38 5.962 -17.787 0.700 1.00 4.04 H new ATOM 600 N LYS A 39 2.182 -13.442 4.013 1.00 0.32 N ATOM 601 CA LYS A 39 2.163 -13.109 5.438 1.00 0.36 C ATOM 602 C LYS A 39 0.770 -13.355 6.037 1.00 0.29 C ATOM 603 O LYS A 39 -0.205 -13.579 5.322 1.00 0.28 O ATOM 604 CB LYS A 39 2.651 -11.656 5.636 1.00 0.46 C ATOM 605 CG LYS A 39 4.115 -11.611 6.102 1.00 0.87 C ATOM 606 CD LYS A 39 5.146 -11.841 4.980 1.00 1.31 C ATOM 607 CE LYS A 39 6.315 -12.698 5.479 1.00 1.68 C ATOM 608 NZ LYS A 39 7.521 -12.581 4.619 1.00 3.12 N ATOM 0 H LYS A 39 2.180 -12.614 3.418 1.00 0.32 H new ATOM 0 HA LYS A 39 2.848 -13.763 5.978 1.00 0.36 H new ATOM 0 HB2 LYS A 39 2.549 -11.106 4.700 1.00 0.46 H new ATOM 0 HB3 LYS A 39 2.019 -11.156 6.370 1.00 0.46 H new ATOM 0 HG2 LYS A 39 4.307 -10.642 6.563 1.00 0.87 H new ATOM 0 HG3 LYS A 39 4.261 -12.366 6.874 1.00 0.87 H new ATOM 0 HD2 LYS A 39 4.665 -12.332 4.134 1.00 1.31 H new ATOM 0 HD3 LYS A 39 5.520 -10.882 4.622 1.00 1.31 H new ATOM 0 HE2 LYS A 39 6.569 -12.401 6.496 1.00 1.68 H new ATOM 0 HE3 LYS A 39 6.003 -13.742 5.520 1.00 1.68 H new ATOM 0 HZ1 LYS A 39 7.945 -13.521 4.486 1.00 3.12 H new ATOM 0 HZ2 LYS A 39 7.251 -12.189 3.694 1.00 3.12 H new ATOM 0 HZ3 LYS A 39 8.212 -11.950 5.074 1.00 3.12 H new ATOM 622 N SER A 40 0.694 -13.359 7.370 1.00 0.35 N ATOM 623 CA SER A 40 -0.537 -13.679 8.100 1.00 0.38 C ATOM 624 C SER A 40 -1.592 -12.563 7.999 1.00 0.36 C ATOM 625 O SER A 40 -1.272 -11.405 7.736 1.00 0.33 O ATOM 626 CB SER A 40 -0.192 -13.972 9.562 1.00 0.50 C ATOM 627 OG SER A 40 -1.315 -14.535 10.202 1.00 1.40 O ATOM 0 H SER A 40 1.485 -13.140 7.975 1.00 0.35 H new ATOM 0 HA SER A 40 -0.982 -14.561 7.640 1.00 0.38 H new ATOM 0 HB2 SER A 40 0.654 -14.657 9.618 1.00 0.50 H new ATOM 0 HB3 SER A 40 0.107 -13.054 10.068 1.00 0.50 H new ATOM 0 HG SER A 40 -1.404 -14.155 11.101 1.00 1.40 H new ATOM 633 N ALA A 41 -2.860 -12.883 8.270 1.00 0.47 N ATOM 634 CA ALA A 41 -3.972 -11.928 8.244 1.00 0.44 C ATOM 635 C ALA A 41 -3.795 -10.775 9.245 1.00 0.39 C ATOM 636 O ALA A 41 -4.079 -9.614 8.947 1.00 0.41 O ATOM 637 CB ALA A 41 -5.253 -12.684 8.590 1.00 0.59 C ATOM 0 H ALA A 41 -3.148 -13.829 8.518 1.00 0.47 H new ATOM 0 HA ALA A 41 -4.011 -11.487 7.248 1.00 0.44 H new ATOM 0 HB1 ALA A 41 -6.097 -11.994 8.577 1.00 0.59 H new ATOM 0 HB2 ALA A 41 -5.419 -13.474 7.857 1.00 0.59 H new ATOM 0 HB3 ALA A 41 -5.159 -13.124 9.583 1.00 0.59 H new ATOM 643 N ASP A 42 -3.325 -11.105 10.449 1.00 0.47 N ATOM 644 CA ASP A 42 -2.958 -10.149 11.481 1.00 0.55 C ATOM 645 C ASP A 42 -1.772 -9.275 11.036 1.00 0.54 C ATOM 646 O ASP A 42 -1.778 -8.067 11.264 1.00 0.84 O ATOM 647 CB ASP A 42 -2.642 -10.911 12.778 1.00 0.72 C ATOM 648 CG ASP A 42 -1.583 -11.997 12.566 1.00 2.48 C ATOM 649 OD1 ASP A 42 -1.924 -13.001 11.890 1.00 3.70 O ATOM 650 OD2 ASP A 42 -0.436 -11.783 13.001 1.00 3.89 O ATOM 0 H ASP A 42 -3.187 -12.074 10.736 1.00 0.47 H new ATOM 0 HA ASP A 42 -3.794 -9.473 11.660 1.00 0.55 H new ATOM 0 HB2 ASP A 42 -2.293 -10.208 13.535 1.00 0.72 H new ATOM 0 HB3 ASP A 42 -3.555 -11.366 13.162 1.00 0.72 H new ATOM 655 N ASP A 43 -0.795 -9.868 10.345 1.00 0.39 N ATOM 656 CA ASP A 43 0.386 -9.188 9.811 1.00 0.36 C ATOM 657 C ASP A 43 -0.018 -8.157 8.747 1.00 0.44 C ATOM 658 O ASP A 43 0.287 -6.972 8.872 1.00 0.56 O ATOM 659 CB ASP A 43 1.354 -10.239 9.256 1.00 0.42 C ATOM 660 CG ASP A 43 2.764 -9.685 9.111 1.00 0.84 C ATOM 661 OD1 ASP A 43 2.950 -8.771 8.279 1.00 2.08 O ATOM 662 OD2 ASP A 43 3.635 -10.189 9.848 1.00 1.98 O ATOM 0 H ASP A 43 -0.805 -10.866 10.136 1.00 0.39 H new ATOM 0 HA ASP A 43 0.890 -8.637 10.605 1.00 0.36 H new ATOM 0 HB2 ASP A 43 1.370 -11.105 9.918 1.00 0.42 H new ATOM 0 HB3 ASP A 43 0.998 -10.586 8.286 1.00 0.42 H new ATOM 667 N VAL A 44 -0.829 -8.586 7.772 1.00 0.47 N ATOM 668 CA VAL A 44 -1.504 -7.777 6.762 1.00 0.59 C ATOM 669 C VAL A 44 -2.264 -6.594 7.399 1.00 0.61 C ATOM 670 O VAL A 44 -2.282 -5.495 6.840 1.00 0.71 O ATOM 671 CB VAL A 44 -2.413 -8.744 5.975 1.00 0.65 C ATOM 672 CG1 VAL A 44 -3.413 -8.031 5.088 1.00 1.17 C ATOM 673 CG2 VAL A 44 -1.643 -9.739 5.090 1.00 1.33 C ATOM 0 H VAL A 44 -1.043 -9.578 7.665 1.00 0.47 H new ATOM 0 HA VAL A 44 -0.796 -7.303 6.082 1.00 0.59 H new ATOM 0 HB VAL A 44 -2.933 -9.289 6.763 1.00 0.65 H new ATOM 0 HG11 VAL A 44 -4.022 -8.766 4.562 1.00 1.17 H new ATOM 0 HG12 VAL A 44 -4.056 -7.398 5.700 1.00 1.17 H new ATOM 0 HG13 VAL A 44 -2.882 -7.414 4.363 1.00 1.17 H new ATOM 0 HG21 VAL A 44 -2.350 -10.385 4.569 1.00 1.33 H new ATOM 0 HG22 VAL A 44 -1.046 -9.191 4.361 1.00 1.33 H new ATOM 0 HG23 VAL A 44 -0.987 -10.347 5.712 1.00 1.33 H new ATOM 683 N LYS A 45 -2.825 -6.769 8.607 1.00 0.57 N ATOM 684 CA LYS A 45 -3.377 -5.696 9.433 1.00 0.65 C ATOM 685 C LYS A 45 -2.332 -4.667 9.881 1.00 0.62 C ATOM 686 O LYS A 45 -2.587 -3.473 9.724 1.00 0.78 O ATOM 687 CB LYS A 45 -4.173 -6.312 10.602 1.00 0.68 C ATOM 688 CG LYS A 45 -5.572 -5.702 10.638 1.00 1.45 C ATOM 689 CD LYS A 45 -6.481 -6.242 11.750 1.00 1.67 C ATOM 690 CE LYS A 45 -6.996 -7.651 11.409 1.00 2.20 C ATOM 691 NZ LYS A 45 -8.474 -7.744 11.509 1.00 3.29 N ATOM 0 H LYS A 45 -2.907 -7.688 9.043 1.00 0.57 H new ATOM 0 HA LYS A 45 -4.063 -5.112 8.820 1.00 0.65 H new ATOM 0 HB2 LYS A 45 -4.239 -7.393 10.482 1.00 0.68 H new ATOM 0 HB3 LYS A 45 -3.659 -6.126 11.545 1.00 0.68 H new ATOM 0 HG2 LYS A 45 -5.479 -4.622 10.756 1.00 1.45 H new ATOM 0 HG3 LYS A 45 -6.054 -5.877 9.676 1.00 1.45 H new ATOM 0 HD2 LYS A 45 -5.932 -6.270 12.691 1.00 1.67 H new ATOM 0 HD3 LYS A 45 -7.325 -5.568 11.893 1.00 1.67 H new ATOM 0 HE2 LYS A 45 -6.684 -7.916 10.399 1.00 2.20 H new ATOM 0 HE3 LYS A 45 -6.541 -8.376 12.084 1.00 2.20 H new ATOM 0 HZ1 LYS A 45 -8.778 -8.710 11.271 1.00 3.29 H new ATOM 0 HZ2 LYS A 45 -8.771 -7.517 12.479 1.00 3.29 H new ATOM 0 HZ3 LYS A 45 -8.910 -7.071 10.847 1.00 3.29 H new ATOM 705 N LYS A 46 -1.156 -5.083 10.382 1.00 0.50 N ATOM 706 CA LYS A 46 -0.038 -4.156 10.662 1.00 0.57 C ATOM 707 C LYS A 46 0.457 -3.459 9.386 1.00 0.58 C ATOM 708 O LYS A 46 0.771 -2.270 9.450 1.00 0.71 O ATOM 709 CB LYS A 46 1.160 -4.837 11.358 1.00 0.73 C ATOM 710 CG LYS A 46 0.992 -5.163 12.853 1.00 0.96 C ATOM 711 CD LYS A 46 0.279 -6.492 13.145 1.00 1.26 C ATOM 712 CE LYS A 46 -1.199 -6.326 13.517 1.00 2.23 C ATOM 713 NZ LYS A 46 -1.371 -5.856 14.910 1.00 2.77 N ATOM 0 H LYS A 46 -0.952 -6.058 10.603 1.00 0.50 H new ATOM 0 HA LYS A 46 -0.451 -3.416 11.348 1.00 0.57 H new ATOM 0 HB2 LYS A 46 1.379 -5.765 10.829 1.00 0.73 H new ATOM 0 HB3 LYS A 46 2.032 -4.192 11.245 1.00 0.73 H new ATOM 0 HG2 LYS A 46 1.977 -5.185 13.319 1.00 0.96 H new ATOM 0 HG3 LYS A 46 0.434 -4.355 13.326 1.00 0.96 H new ATOM 0 HD2 LYS A 46 0.354 -7.136 12.269 1.00 1.26 H new ATOM 0 HD3 LYS A 46 0.795 -7.001 13.959 1.00 1.26 H new ATOM 0 HE2 LYS A 46 -1.667 -5.616 12.835 1.00 2.23 H new ATOM 0 HE3 LYS A 46 -1.714 -7.278 13.389 1.00 2.23 H new ATOM 0 HZ1 LYS A 46 -2.385 -5.757 15.120 1.00 2.77 H new ATOM 0 HZ2 LYS A 46 -0.947 -6.545 15.564 1.00 2.77 H new ATOM 0 HZ3 LYS A 46 -0.902 -4.935 15.026 1.00 2.77 H new ATOM 727 N VAL A 47 0.494 -4.170 8.248 1.00 0.56 N ATOM 728 CA VAL A 47 0.883 -3.625 6.933 1.00 0.57 C ATOM 729 C VAL A 47 0.063 -2.383 6.591 1.00 0.60 C ATOM 730 O VAL A 47 0.608 -1.285 6.530 1.00 0.63 O ATOM 731 CB VAL A 47 0.816 -4.668 5.807 1.00 0.61 C ATOM 732 CG1 VAL A 47 1.216 -4.043 4.468 1.00 0.64 C ATOM 733 CG2 VAL A 47 1.785 -5.818 6.045 1.00 0.68 C ATOM 0 H VAL A 47 0.250 -5.160 8.213 1.00 0.56 H new ATOM 0 HA VAL A 47 1.930 -3.334 7.015 1.00 0.57 H new ATOM 0 HB VAL A 47 -0.212 -5.030 5.791 1.00 0.61 H new ATOM 0 HG11 VAL A 47 1.162 -4.798 3.684 1.00 0.64 H new ATOM 0 HG12 VAL A 47 0.536 -3.224 4.231 1.00 0.64 H new ATOM 0 HG13 VAL A 47 2.235 -3.661 4.535 1.00 0.64 H new ATOM 0 HG21 VAL A 47 1.707 -6.534 5.227 1.00 0.68 H new ATOM 0 HG22 VAL A 47 2.803 -5.432 6.094 1.00 0.68 H new ATOM 0 HG23 VAL A 47 1.539 -6.312 6.985 1.00 0.68 H new ATOM 743 N PHE A 48 -1.253 -2.549 6.428 1.00 0.62 N ATOM 744 CA PHE A 48 -2.225 -1.479 6.306 1.00 0.57 C ATOM 745 C PHE A 48 -2.088 -0.405 7.404 1.00 0.50 C ATOM 746 O PHE A 48 -2.083 0.785 7.089 1.00 0.45 O ATOM 747 CB PHE A 48 -3.608 -2.144 6.285 1.00 0.72 C ATOM 748 CG PHE A 48 -4.714 -1.225 6.737 1.00 0.60 C ATOM 749 CD1 PHE A 48 -5.280 -0.314 5.833 1.00 1.68 C ATOM 750 CD2 PHE A 48 -5.096 -1.223 8.093 1.00 2.31 C ATOM 751 CE1 PHE A 48 -6.192 0.642 6.301 1.00 1.42 C ATOM 752 CE2 PHE A 48 -6.023 -0.278 8.555 1.00 2.73 C ATOM 753 CZ PHE A 48 -6.553 0.658 7.655 1.00 1.31 C ATOM 0 H PHE A 48 -1.679 -3.474 6.376 1.00 0.62 H new ATOM 0 HA PHE A 48 -2.058 -0.921 5.385 1.00 0.57 H new ATOM 0 HB2 PHE A 48 -3.822 -2.491 5.274 1.00 0.72 H new ATOM 0 HB3 PHE A 48 -3.591 -3.025 6.927 1.00 0.72 H new ATOM 0 HD1 PHE A 48 -5.016 -0.349 4.786 1.00 1.68 H new ATOM 0 HD2 PHE A 48 -4.676 -1.948 8.775 1.00 2.31 H new ATOM 0 HE1 PHE A 48 -6.616 1.365 5.619 1.00 1.42 H new ATOM 0 HE2 PHE A 48 -6.325 -0.271 9.592 1.00 2.73 H new ATOM 0 HZ PHE A 48 -7.250 1.402 8.011 1.00 1.31 H new ATOM 763 N HIS A 49 -1.968 -0.791 8.684 1.00 0.52 N ATOM 764 CA HIS A 49 -1.983 0.167 9.796 1.00 0.59 C ATOM 765 C HIS A 49 -0.870 1.223 9.698 1.00 0.60 C ATOM 766 O HIS A 49 -1.096 2.378 10.065 1.00 1.04 O ATOM 767 CB HIS A 49 -1.911 -0.588 11.135 1.00 0.63 C ATOM 768 CG HIS A 49 -2.177 0.253 12.362 1.00 1.02 C ATOM 769 ND1 HIS A 49 -2.321 1.623 12.410 1.00 2.30 N ATOM 770 CD2 HIS A 49 -2.370 -0.222 13.631 1.00 2.20 C ATOM 771 CE1 HIS A 49 -2.624 1.957 13.674 1.00 2.73 C ATOM 772 NE2 HIS A 49 -2.643 0.870 14.459 1.00 2.67 N ATOM 0 H HIS A 49 -1.859 -1.763 8.973 1.00 0.52 H new ATOM 0 HA HIS A 49 -2.923 0.716 9.737 1.00 0.59 H new ATOM 0 HB2 HIS A 49 -2.631 -1.406 11.112 1.00 0.63 H new ATOM 0 HB3 HIS A 49 -0.922 -1.036 11.229 1.00 0.63 H new ATOM 0 HD1 HIS A 49 -2.216 2.267 11.626 1.00 2.30 H new ATOM 0 HD2 HIS A 49 -2.320 -1.256 13.938 1.00 2.20 H new ATOM 0 HE1 HIS A 49 -2.825 2.963 14.012 1.00 2.73 H new ATOM 780 N MET A 50 0.309 0.858 9.180 1.00 0.35 N ATOM 781 CA MET A 50 1.454 1.774 9.047 1.00 0.56 C ATOM 782 C MET A 50 1.235 2.889 8.007 1.00 0.61 C ATOM 783 O MET A 50 1.937 3.899 8.016 1.00 0.60 O ATOM 784 CB MET A 50 2.671 0.936 8.661 1.00 0.65 C ATOM 785 CG MET A 50 4.020 1.583 8.982 1.00 0.89 C ATOM 786 SD MET A 50 4.546 1.336 10.701 1.00 1.26 S ATOM 787 CE MET A 50 4.997 3.036 11.126 1.00 1.79 C ATOM 0 H MET A 50 0.499 -0.084 8.839 1.00 0.35 H new ATOM 0 HA MET A 50 1.594 2.283 10.001 1.00 0.56 H new ATOM 0 HB2 MET A 50 2.612 -0.024 9.175 1.00 0.65 H new ATOM 0 HB3 MET A 50 2.628 0.728 7.592 1.00 0.65 H new ATOM 0 HG2 MET A 50 4.779 1.174 8.315 1.00 0.89 H new ATOM 0 HG3 MET A 50 3.960 2.652 8.778 1.00 0.89 H new ATOM 0 HE1 MET A 50 5.346 3.073 12.158 1.00 1.79 H new ATOM 0 HE2 MET A 50 5.790 3.379 10.462 1.00 1.79 H new ATOM 0 HE3 MET A 50 4.126 3.682 11.015 1.00 1.79 H new ATOM 797 N LEU A 51 0.267 2.700 7.105 1.00 0.71 N ATOM 798 CA LEU A 51 -0.089 3.622 6.024 1.00 0.69 C ATOM 799 C LEU A 51 -1.042 4.717 6.521 1.00 0.70 C ATOM 800 O LEU A 51 -1.042 5.819 5.977 1.00 0.76 O ATOM 801 CB LEU A 51 -0.763 2.812 4.905 1.00 0.65 C ATOM 802 CG LEU A 51 -0.075 1.477 4.548 1.00 0.84 C ATOM 803 CD1 LEU A 51 -0.827 0.775 3.416 1.00 1.91 C ATOM 804 CD2 LEU A 51 1.407 1.624 4.196 1.00 2.14 C ATOM 0 H LEU A 51 -0.315 1.863 7.109 1.00 0.71 H new ATOM 0 HA LEU A 51 0.813 4.111 5.655 1.00 0.69 H new ATOM 0 HB2 LEU A 51 -1.792 2.604 5.199 1.00 0.65 H new ATOM 0 HB3 LEU A 51 -0.807 3.430 4.008 1.00 0.65 H new ATOM 0 HG LEU A 51 -0.113 0.865 5.449 1.00 0.84 H new ATOM 0 HD11 LEU A 51 -0.329 -0.165 3.176 1.00 1.91 H new ATOM 0 HD12 LEU A 51 -1.851 0.573 3.730 1.00 1.91 H new ATOM 0 HD13 LEU A 51 -0.837 1.415 2.534 1.00 1.91 H new ATOM 0 HD21 LEU A 51 1.823 0.645 3.957 1.00 2.14 H new ATOM 0 HD22 LEU A 51 1.513 2.284 3.335 1.00 2.14 H new ATOM 0 HD23 LEU A 51 1.942 2.048 5.046 1.00 2.14 H new ATOM 816 N ASP A 52 -1.822 4.419 7.569 1.00 0.75 N ATOM 817 CA ASP A 52 -2.810 5.293 8.203 1.00 0.75 C ATOM 818 C ASP A 52 -2.128 6.369 9.072 1.00 0.90 C ATOM 819 O ASP A 52 -2.245 6.404 10.303 1.00 1.33 O ATOM 820 CB ASP A 52 -3.806 4.410 8.966 1.00 0.77 C ATOM 821 CG ASP A 52 -5.014 5.197 9.463 1.00 1.02 C ATOM 822 OD1 ASP A 52 -5.880 5.583 8.641 1.00 1.38 O ATOM 823 OD2 ASP A 52 -5.136 5.354 10.697 1.00 2.22 O ATOM 0 H ASP A 52 -1.775 3.506 8.021 1.00 0.75 H new ATOM 0 HA ASP A 52 -3.367 5.858 7.456 1.00 0.75 H new ATOM 0 HB2 ASP A 52 -4.144 3.602 8.317 1.00 0.77 H new ATOM 0 HB3 ASP A 52 -3.302 3.947 9.815 1.00 0.77 H new ATOM 828 N LYS A 53 -1.371 7.253 8.410 1.00 0.66 N ATOM 829 CA LYS A 53 -0.438 8.240 8.989 1.00 0.74 C ATOM 830 C LYS A 53 -1.097 9.411 9.743 1.00 1.05 C ATOM 831 O LYS A 53 -0.499 10.468 9.926 1.00 1.87 O ATOM 832 CB LYS A 53 0.531 8.709 7.893 1.00 0.69 C ATOM 833 CG LYS A 53 1.357 7.532 7.332 1.00 1.22 C ATOM 834 CD LYS A 53 2.846 7.865 7.252 1.00 1.53 C ATOM 835 CE LYS A 53 3.122 9.008 6.265 1.00 2.43 C ATOM 836 NZ LYS A 53 2.857 8.635 4.848 1.00 4.03 N ATOM 0 H LYS A 53 -1.392 7.305 7.392 1.00 0.66 H new ATOM 0 HA LYS A 53 0.113 7.731 9.780 1.00 0.74 H new ATOM 0 HB2 LYS A 53 -0.030 9.179 7.086 1.00 0.69 H new ATOM 0 HB3 LYS A 53 1.202 9.466 8.298 1.00 0.69 H new ATOM 0 HG2 LYS A 53 1.215 6.655 7.964 1.00 1.22 H new ATOM 0 HG3 LYS A 53 0.990 7.272 6.339 1.00 1.22 H new ATOM 0 HD2 LYS A 53 3.210 8.143 8.241 1.00 1.53 H new ATOM 0 HD3 LYS A 53 3.401 6.978 6.946 1.00 1.53 H new ATOM 0 HE2 LYS A 53 2.504 9.866 6.530 1.00 2.43 H new ATOM 0 HE3 LYS A 53 4.161 9.322 6.363 1.00 2.43 H new ATOM 0 HZ1 LYS A 53 3.263 9.355 4.218 1.00 4.03 H new ATOM 0 HZ2 LYS A 53 3.292 7.712 4.645 1.00 4.03 H new ATOM 0 HZ3 LYS A 53 1.831 8.576 4.691 1.00 4.03 H new ATOM 850 N ASP A 54 -2.321 9.191 10.207 1.00 0.80 N ATOM 851 CA ASP A 54 -3.237 10.104 10.880 1.00 1.02 C ATOM 852 C ASP A 54 -3.972 9.439 12.060 1.00 1.25 C ATOM 853 O ASP A 54 -4.664 10.132 12.802 1.00 1.66 O ATOM 854 CB ASP A 54 -4.280 10.593 9.864 1.00 1.00 C ATOM 855 CG ASP A 54 -5.074 9.440 9.241 1.00 1.02 C ATOM 856 OD1 ASP A 54 -4.496 8.476 8.702 1.00 1.53 O ATOM 857 OD2 ASP A 54 -6.322 9.473 9.119 1.00 1.99 O ATOM 0 H ASP A 54 -2.742 8.267 10.110 1.00 0.80 H new ATOM 0 HA ASP A 54 -2.648 10.930 11.279 1.00 1.02 H new ATOM 0 HB2 ASP A 54 -4.968 11.280 10.356 1.00 1.00 H new ATOM 0 HB3 ASP A 54 -3.779 11.154 9.075 1.00 1.00 H new ATOM 862 N LYS A 55 -3.834 8.114 12.239 1.00 1.22 N ATOM 863 CA LYS A 55 -4.527 7.309 13.247 1.00 1.60 C ATOM 864 C LYS A 55 -6.069 7.430 13.231 1.00 1.68 C ATOM 865 O LYS A 55 -6.690 7.818 14.219 1.00 2.59 O ATOM 866 CB LYS A 55 -3.894 7.588 14.626 1.00 2.01 C ATOM 867 CG LYS A 55 -3.890 6.320 15.491 1.00 2.51 C ATOM 868 CD LYS A 55 -2.479 5.910 15.932 1.00 2.79 C ATOM 869 CE LYS A 55 -1.604 5.561 14.721 1.00 2.58 C ATOM 870 NZ LYS A 55 -0.304 4.984 15.134 1.00 2.79 N ATOM 0 H LYS A 55 -3.209 7.556 11.658 1.00 1.22 H new ATOM 0 HA LYS A 55 -4.380 6.259 12.994 1.00 1.60 H new ATOM 0 HB2 LYS A 55 -2.873 7.948 14.496 1.00 2.01 H new ATOM 0 HB3 LYS A 55 -4.449 8.378 15.133 1.00 2.01 H new ATOM 0 HG2 LYS A 55 -4.509 6.485 16.373 1.00 2.51 H new ATOM 0 HG3 LYS A 55 -4.344 5.502 14.932 1.00 2.51 H new ATOM 0 HD2 LYS A 55 -2.020 6.723 16.495 1.00 2.79 H new ATOM 0 HD3 LYS A 55 -2.538 5.052 16.602 1.00 2.79 H new ATOM 0 HE2 LYS A 55 -2.131 4.851 14.083 1.00 2.58 H new ATOM 0 HE3 LYS A 55 -1.432 6.458 14.126 1.00 2.58 H new ATOM 0 HZ1 LYS A 55 0.261 4.760 14.290 1.00 2.79 H new ATOM 0 HZ2 LYS A 55 0.210 5.671 15.722 1.00 2.79 H new ATOM 0 HZ3 LYS A 55 -0.468 4.115 15.681 1.00 2.79 H new ATOM 884 N SER A 56 -6.687 7.021 12.121 1.00 0.82 N ATOM 885 CA SER A 56 -8.148 6.925 11.942 1.00 0.70 C ATOM 886 C SER A 56 -8.673 5.593 11.374 1.00 0.58 C ATOM 887 O SER A 56 -9.874 5.348 11.469 1.00 0.62 O ATOM 888 CB SER A 56 -8.657 8.091 11.091 1.00 0.81 C ATOM 889 OG SER A 56 -8.157 8.019 9.770 1.00 0.82 O ATOM 0 H SER A 56 -6.171 6.736 11.289 1.00 0.82 H new ATOM 0 HA SER A 56 -8.548 6.973 12.955 1.00 0.70 H new ATOM 0 HB2 SER A 56 -9.747 8.081 11.071 1.00 0.81 H new ATOM 0 HB3 SER A 56 -8.355 9.035 11.545 1.00 0.81 H new ATOM 0 HG SER A 56 -7.243 8.372 9.746 1.00 0.82 H new ATOM 895 N GLY A 57 -7.820 4.711 10.834 1.00 0.59 N ATOM 896 CA GLY A 57 -8.184 3.379 10.346 1.00 0.61 C ATOM 897 C GLY A 57 -8.661 3.315 8.889 1.00 0.49 C ATOM 898 O GLY A 57 -9.368 2.367 8.549 1.00 0.56 O ATOM 0 H GLY A 57 -6.827 4.914 10.723 1.00 0.59 H new ATOM 0 HA2 GLY A 57 -7.321 2.723 10.456 1.00 0.61 H new ATOM 0 HA3 GLY A 57 -8.971 2.980 10.985 1.00 0.61 H new ATOM 902 N PHE A 58 -8.293 4.274 8.025 1.00 0.38 N ATOM 903 CA PHE A 58 -8.762 4.370 6.629 1.00 0.35 C ATOM 904 C PHE A 58 -7.781 5.180 5.768 1.00 0.36 C ATOM 905 O PHE A 58 -7.522 6.337 6.101 1.00 0.66 O ATOM 906 CB PHE A 58 -10.124 5.087 6.596 1.00 0.40 C ATOM 907 CG PHE A 58 -11.221 4.525 7.475 1.00 0.47 C ATOM 908 CD1 PHE A 58 -11.960 3.401 7.060 1.00 1.65 C ATOM 909 CD2 PHE A 58 -11.490 5.119 8.722 1.00 1.95 C ATOM 910 CE1 PHE A 58 -12.956 2.866 7.896 1.00 1.69 C ATOM 911 CE2 PHE A 58 -12.483 4.582 9.560 1.00 2.09 C ATOM 912 CZ PHE A 58 -13.216 3.456 9.147 1.00 0.94 C ATOM 0 H PHE A 58 -7.647 5.021 8.280 1.00 0.38 H new ATOM 0 HA PHE A 58 -8.840 3.358 6.232 1.00 0.35 H new ATOM 0 HB2 PHE A 58 -9.965 6.128 6.877 1.00 0.40 H new ATOM 0 HB3 PHE A 58 -10.482 5.086 5.566 1.00 0.40 H new ATOM 0 HD1 PHE A 58 -11.762 2.949 6.099 1.00 1.65 H new ATOM 0 HD2 PHE A 58 -10.933 5.989 9.036 1.00 1.95 H new ATOM 0 HE1 PHE A 58 -13.521 2.002 7.578 1.00 1.69 H new ATOM 0 HE2 PHE A 58 -12.682 5.034 10.520 1.00 2.09 H new ATOM 0 HZ PHE A 58 -13.979 3.043 9.790 1.00 0.94 H new ATOM 922 N ILE A 59 -7.259 4.638 4.659 1.00 0.29 N ATOM 923 CA ILE A 59 -6.274 5.366 3.830 1.00 0.35 C ATOM 924 C ILE A 59 -6.974 6.144 2.703 1.00 0.42 C ATOM 925 O ILE A 59 -7.869 5.620 2.035 1.00 0.39 O ATOM 926 CB ILE A 59 -5.176 4.436 3.278 1.00 0.45 C ATOM 927 CG1 ILE A 59 -4.526 3.534 4.353 1.00 0.80 C ATOM 928 CG2 ILE A 59 -4.053 5.212 2.565 1.00 0.76 C ATOM 929 CD1 ILE A 59 -4.081 2.208 3.735 1.00 1.11 C ATOM 0 H ILE A 59 -7.496 3.708 4.313 1.00 0.29 H new ATOM 0 HA ILE A 59 -5.775 6.086 4.478 1.00 0.35 H new ATOM 0 HB ILE A 59 -5.704 3.803 2.565 1.00 0.45 H new ATOM 0 HG12 ILE A 59 -3.669 4.043 4.795 1.00 0.80 H new ATOM 0 HG13 ILE A 59 -5.236 3.347 5.159 1.00 0.80 H new ATOM 0 HG21 ILE A 59 -3.305 4.511 2.195 1.00 0.76 H new ATOM 0 HG22 ILE A 59 -4.472 5.771 1.728 1.00 0.76 H new ATOM 0 HG23 ILE A 59 -3.586 5.904 3.267 1.00 0.76 H new ATOM 0 HD11 ILE A 59 -3.625 1.583 4.503 1.00 1.11 H new ATOM 0 HD12 ILE A 59 -4.946 1.694 3.315 1.00 1.11 H new ATOM 0 HD13 ILE A 59 -3.354 2.400 2.946 1.00 1.11 H new ATOM 941 N GLU A 60 -6.534 7.395 2.519 1.00 0.58 N ATOM 942 CA GLU A 60 -7.098 8.502 1.732 1.00 0.54 C ATOM 943 C GLU A 60 -5.980 9.224 0.943 1.00 0.54 C ATOM 944 O GLU A 60 -4.799 9.065 1.259 1.00 0.52 O ATOM 945 CB GLU A 60 -7.757 9.502 2.715 1.00 0.70 C ATOM 946 CG GLU A 60 -9.027 8.901 3.336 1.00 1.63 C ATOM 947 CD GLU A 60 -9.425 9.373 4.744 1.00 1.36 C ATOM 948 OE1 GLU A 60 -8.523 9.526 5.596 1.00 1.21 O ATOM 949 OE2 GLU A 60 -10.654 9.443 4.998 1.00 2.21 O ATOM 0 H GLU A 60 -5.670 7.692 2.973 1.00 0.58 H new ATOM 0 HA GLU A 60 -7.830 8.116 1.023 1.00 0.54 H new ATOM 0 HB2 GLU A 60 -7.050 9.763 3.503 1.00 0.70 H new ATOM 0 HB3 GLU A 60 -8.005 10.425 2.190 1.00 0.70 H new ATOM 0 HG2 GLU A 60 -9.860 9.109 2.664 1.00 1.63 H new ATOM 0 HG3 GLU A 60 -8.905 7.818 3.367 1.00 1.63 H new ATOM 956 N GLU A 61 -6.348 10.049 -0.054 1.00 0.60 N ATOM 957 CA GLU A 61 -5.445 10.736 -1.003 1.00 0.60 C ATOM 958 C GLU A 61 -4.243 11.462 -0.368 1.00 0.58 C ATOM 959 O GLU A 61 -3.145 11.417 -0.925 1.00 0.58 O ATOM 960 CB GLU A 61 -6.243 11.654 -1.943 1.00 0.66 C ATOM 961 CG GLU A 61 -7.028 12.776 -1.248 1.00 1.21 C ATOM 962 CD GLU A 61 -7.891 13.526 -2.269 1.00 1.64 C ATOM 963 OE1 GLU A 61 -8.942 12.961 -2.646 1.00 2.56 O ATOM 964 OE2 GLU A 61 -7.484 14.638 -2.671 1.00 2.32 O ATOM 0 H GLU A 61 -7.329 10.267 -0.231 1.00 0.60 H new ATOM 0 HA GLU A 61 -4.984 9.939 -1.586 1.00 0.60 H new ATOM 0 HB2 GLU A 61 -5.554 12.103 -2.658 1.00 0.66 H new ATOM 0 HB3 GLU A 61 -6.942 11.043 -2.515 1.00 0.66 H new ATOM 0 HG2 GLU A 61 -7.659 12.357 -0.464 1.00 1.21 H new ATOM 0 HG3 GLU A 61 -6.338 13.468 -0.765 1.00 1.21 H new ATOM 971 N ASP A 62 -4.438 12.058 0.815 1.00 0.57 N ATOM 972 CA ASP A 62 -3.413 12.703 1.644 1.00 0.59 C ATOM 973 C ASP A 62 -2.227 11.769 1.932 1.00 0.55 C ATOM 974 O ASP A 62 -1.072 12.113 1.683 1.00 0.66 O ATOM 975 CB ASP A 62 -4.081 13.158 2.951 1.00 0.65 C ATOM 976 CG ASP A 62 -3.091 13.834 3.905 1.00 1.82 C ATOM 977 OD1 ASP A 62 -2.933 15.068 3.780 1.00 2.51 O ATOM 978 OD2 ASP A 62 -2.512 13.109 4.742 1.00 3.24 O ATOM 0 H ASP A 62 -5.363 12.106 1.242 1.00 0.57 H new ATOM 0 HA ASP A 62 -3.002 13.557 1.106 1.00 0.59 H new ATOM 0 HB2 ASP A 62 -4.891 13.850 2.721 1.00 0.65 H new ATOM 0 HB3 ASP A 62 -4.529 12.297 3.446 1.00 0.65 H new ATOM 983 N GLU A 63 -2.520 10.566 2.431 1.00 0.49 N ATOM 984 CA GLU A 63 -1.519 9.540 2.710 1.00 0.48 C ATOM 985 C GLU A 63 -1.019 8.932 1.406 1.00 0.50 C ATOM 986 O GLU A 63 0.176 8.694 1.256 1.00 0.53 O ATOM 987 CB GLU A 63 -2.147 8.432 3.562 1.00 0.59 C ATOM 988 CG GLU A 63 -2.531 8.894 4.973 1.00 0.71 C ATOM 989 CD GLU A 63 -3.856 8.260 5.387 1.00 1.09 C ATOM 990 OE1 GLU A 63 -3.911 7.025 5.531 1.00 2.49 O ATOM 991 OE2 GLU A 63 -4.862 8.985 5.560 1.00 1.40 O ATOM 0 H GLU A 63 -3.472 10.276 2.655 1.00 0.49 H new ATOM 0 HA GLU A 63 -0.685 9.996 3.244 1.00 0.48 H new ATOM 0 HB2 GLU A 63 -3.036 8.055 3.057 1.00 0.59 H new ATOM 0 HB3 GLU A 63 -1.446 7.601 3.638 1.00 0.59 H new ATOM 0 HG2 GLU A 63 -1.749 8.617 5.680 1.00 0.71 H new ATOM 0 HG3 GLU A 63 -2.614 9.980 4.999 1.00 0.71 H new ATOM 998 N LEU A 64 -1.942 8.696 0.470 1.00 0.56 N ATOM 999 CA LEU A 64 -1.766 8.016 -0.805 1.00 0.64 C ATOM 1000 C LEU A 64 -0.626 8.563 -1.664 1.00 0.69 C ATOM 1001 O LEU A 64 0.055 7.779 -2.313 1.00 0.82 O ATOM 1002 CB LEU A 64 -3.099 8.117 -1.552 1.00 0.75 C ATOM 1003 CG LEU A 64 -3.598 6.788 -2.094 1.00 0.60 C ATOM 1004 CD1 LEU A 64 -4.095 5.853 -0.993 1.00 1.30 C ATOM 1005 CD2 LEU A 64 -4.766 7.098 -3.026 1.00 0.99 C ATOM 0 H LEU A 64 -2.906 9.002 0.600 1.00 0.56 H new ATOM 0 HA LEU A 64 -1.481 6.983 -0.603 1.00 0.64 H new ATOM 0 HB2 LEU A 64 -3.851 8.531 -0.880 1.00 0.75 H new ATOM 0 HB3 LEU A 64 -2.990 8.819 -2.379 1.00 0.75 H new ATOM 0 HG LEU A 64 -2.774 6.284 -2.599 1.00 0.60 H new ATOM 0 HD11 LEU A 64 -4.440 4.919 -1.437 1.00 1.30 H new ATOM 0 HD12 LEU A 64 -3.282 5.646 -0.297 1.00 1.30 H new ATOM 0 HD13 LEU A 64 -4.919 6.326 -0.458 1.00 1.30 H new ATOM 0 HD21 LEU A 64 -5.158 6.169 -3.440 1.00 0.99 H new ATOM 0 HD22 LEU A 64 -5.552 7.606 -2.468 1.00 0.99 H new ATOM 0 HD23 LEU A 64 -4.424 7.741 -3.837 1.00 0.99 H new ATOM 1017 N GLY A 65 -0.381 9.876 -1.638 1.00 0.63 N ATOM 1018 CA GLY A 65 0.804 10.476 -2.269 1.00 0.69 C ATOM 1019 C GLY A 65 2.138 9.862 -1.807 1.00 0.65 C ATOM 1020 O GLY A 65 3.076 9.764 -2.595 1.00 0.78 O ATOM 0 H GLY A 65 -0.993 10.552 -1.182 1.00 0.63 H new ATOM 0 HA2 GLY A 65 0.721 10.368 -3.350 1.00 0.69 H new ATOM 0 HA3 GLY A 65 0.815 11.545 -2.056 1.00 0.69 H new ATOM 1024 N PHE A 66 2.221 9.409 -0.546 1.00 0.53 N ATOM 1025 CA PHE A 66 3.439 8.906 0.104 1.00 0.59 C ATOM 1026 C PHE A 66 3.152 7.738 1.078 1.00 0.53 C ATOM 1027 O PHE A 66 3.740 7.613 2.158 1.00 0.75 O ATOM 1028 CB PHE A 66 4.219 10.084 0.722 1.00 0.62 C ATOM 1029 CG PHE A 66 3.680 10.706 2.005 1.00 0.74 C ATOM 1030 CD1 PHE A 66 2.375 11.236 2.079 1.00 1.57 C ATOM 1031 CD2 PHE A 66 4.533 10.825 3.123 1.00 2.63 C ATOM 1032 CE1 PHE A 66 1.923 11.848 3.261 1.00 1.55 C ATOM 1033 CE2 PHE A 66 4.088 11.459 4.297 1.00 2.78 C ATOM 1034 CZ PHE A 66 2.778 11.964 4.369 1.00 1.15 C ATOM 0 H PHE A 66 1.410 9.383 0.071 1.00 0.53 H new ATOM 0 HA PHE A 66 4.089 8.457 -0.647 1.00 0.59 H new ATOM 0 HB2 PHE A 66 5.236 9.745 0.917 1.00 0.62 H new ATOM 0 HB3 PHE A 66 4.284 10.871 -0.029 1.00 0.62 H new ATOM 0 HD1 PHE A 66 1.720 11.171 1.223 1.00 1.57 H new ATOM 0 HD2 PHE A 66 5.536 10.426 3.077 1.00 2.63 H new ATOM 0 HE1 PHE A 66 0.915 12.230 3.317 1.00 1.55 H new ATOM 0 HE2 PHE A 66 4.752 11.558 5.143 1.00 2.78 H new ATOM 0 HZ PHE A 66 2.430 12.440 5.274 1.00 1.15 H new ATOM 1044 N ILE A 67 2.243 6.846 0.671 1.00 0.45 N ATOM 1045 CA ILE A 67 1.819 5.607 1.331 1.00 0.35 C ATOM 1046 C ILE A 67 3.021 4.705 1.616 1.00 0.36 C ATOM 1047 O ILE A 67 3.188 4.208 2.733 1.00 0.38 O ATOM 1048 CB ILE A 67 0.696 4.983 0.463 1.00 0.47 C ATOM 1049 CG1 ILE A 67 0.167 3.643 0.991 1.00 0.97 C ATOM 1050 CG2 ILE A 67 1.020 4.851 -1.032 1.00 1.30 C ATOM 1051 CD1 ILE A 67 0.958 2.408 0.546 1.00 0.58 C ATOM 0 H ILE A 67 1.741 6.985 -0.206 1.00 0.45 H new ATOM 0 HA ILE A 67 1.398 5.784 2.321 1.00 0.35 H new ATOM 0 HB ILE A 67 -0.094 5.728 0.556 1.00 0.47 H new ATOM 0 HG12 ILE A 67 0.160 3.677 2.080 1.00 0.97 H new ATOM 0 HG13 ILE A 67 -0.868 3.527 0.669 1.00 0.97 H new ATOM 0 HG21 ILE A 67 0.171 4.404 -1.550 1.00 1.30 H new ATOM 0 HG22 ILE A 67 1.221 5.838 -1.449 1.00 1.30 H new ATOM 0 HG23 ILE A 67 1.898 4.217 -1.160 1.00 1.30 H new ATOM 0 HD11 ILE A 67 0.505 1.513 0.972 1.00 0.58 H new ATOM 0 HD12 ILE A 67 0.944 2.340 -0.542 1.00 0.58 H new ATOM 0 HD13 ILE A 67 1.988 2.492 0.891 1.00 0.58 H new ATOM 1063 N LEU A 68 3.920 4.574 0.637 1.00 0.43 N ATOM 1064 CA LEU A 68 5.151 3.802 0.751 1.00 0.51 C ATOM 1065 C LEU A 68 6.063 4.268 1.888 1.00 0.46 C ATOM 1066 O LEU A 68 6.870 3.468 2.347 1.00 0.49 O ATOM 1067 CB LEU A 68 5.910 3.870 -0.577 1.00 0.66 C ATOM 1068 CG LEU A 68 5.226 3.071 -1.693 1.00 0.99 C ATOM 1069 CD1 LEU A 68 5.006 3.994 -2.890 1.00 1.09 C ATOM 1070 CD2 LEU A 68 6.106 1.874 -2.060 1.00 1.86 C ATOM 0 H LEU A 68 3.806 5.014 -0.276 1.00 0.43 H new ATOM 0 HA LEU A 68 4.863 2.778 0.987 1.00 0.51 H new ATOM 0 HB2 LEU A 68 6.001 4.911 -0.885 1.00 0.66 H new ATOM 0 HB3 LEU A 68 6.922 3.491 -0.432 1.00 0.66 H new ATOM 0 HG LEU A 68 4.258 2.692 -1.366 1.00 0.99 H new ATOM 0 HD11 LEU A 68 4.520 3.439 -3.693 1.00 1.09 H new ATOM 0 HD12 LEU A 68 4.374 4.831 -2.593 1.00 1.09 H new ATOM 0 HD13 LEU A 68 5.967 4.371 -3.240 1.00 1.09 H new ATOM 0 HD21 LEU A 68 5.627 1.300 -2.853 1.00 1.86 H new ATOM 0 HD22 LEU A 68 7.077 2.229 -2.405 1.00 1.86 H new ATOM 0 HD23 LEU A 68 6.241 1.240 -1.184 1.00 1.86 H new ATOM 1082 N LYS A 69 5.930 5.514 2.380 1.00 0.44 N ATOM 1083 CA LYS A 69 6.764 6.031 3.475 1.00 0.50 C ATOM 1084 C LYS A 69 6.483 5.313 4.806 1.00 0.55 C ATOM 1085 O LYS A 69 7.259 5.468 5.745 1.00 0.68 O ATOM 1086 CB LYS A 69 6.640 7.568 3.575 1.00 0.61 C ATOM 1087 CG LYS A 69 7.978 8.330 3.600 1.00 0.70 C ATOM 1088 CD LYS A 69 8.889 7.979 4.785 1.00 1.83 C ATOM 1089 CE LYS A 69 10.187 8.789 4.708 1.00 1.87 C ATOM 1090 NZ LYS A 69 11.031 8.570 5.907 1.00 3.01 N ATOM 0 H LYS A 69 5.245 6.185 2.031 1.00 0.44 H new ATOM 0 HA LYS A 69 7.806 5.810 3.243 1.00 0.50 H new ATOM 0 HB2 LYS A 69 6.052 7.925 2.730 1.00 0.61 H new ATOM 0 HB3 LYS A 69 6.082 7.814 4.479 1.00 0.61 H new ATOM 0 HG2 LYS A 69 8.514 8.127 2.673 1.00 0.70 H new ATOM 0 HG3 LYS A 69 7.772 9.400 3.621 1.00 0.70 H new ATOM 0 HD2 LYS A 69 8.375 8.189 5.723 1.00 1.83 H new ATOM 0 HD3 LYS A 69 9.115 6.913 4.777 1.00 1.83 H new ATOM 0 HE2 LYS A 69 10.742 8.506 3.814 1.00 1.87 H new ATOM 0 HE3 LYS A 69 9.952 9.849 4.615 1.00 1.87 H new ATOM 0 HZ1 LYS A 69 11.902 9.132 5.825 1.00 3.01 H new ATOM 0 HZ2 LYS A 69 10.509 8.863 6.757 1.00 3.01 H new ATOM 0 HZ3 LYS A 69 11.275 7.562 5.981 1.00 3.01 H new ATOM 1104 N GLY A 70 5.419 4.497 4.875 1.00 0.52 N ATOM 1105 CA GLY A 70 5.238 3.494 5.927 1.00 0.60 C ATOM 1106 C GLY A 70 5.954 2.177 5.640 1.00 0.63 C ATOM 1107 O GLY A 70 6.595 1.638 6.538 1.00 0.90 O ATOM 0 H GLY A 70 4.658 4.518 4.196 1.00 0.52 H new ATOM 0 HA2 GLY A 70 5.603 3.899 6.871 1.00 0.60 H new ATOM 0 HA3 GLY A 70 4.173 3.300 6.054 1.00 0.60 H new ATOM 1111 N PHE A 71 5.890 1.682 4.397 1.00 0.47 N ATOM 1112 CA PHE A 71 6.661 0.518 3.955 1.00 0.46 C ATOM 1113 C PHE A 71 8.167 0.713 4.147 1.00 0.46 C ATOM 1114 O PHE A 71 8.816 -0.215 4.640 1.00 0.58 O ATOM 1115 CB PHE A 71 6.310 0.123 2.513 1.00 0.46 C ATOM 1116 CG PHE A 71 5.015 -0.660 2.400 1.00 0.64 C ATOM 1117 CD1 PHE A 71 5.028 -2.058 2.564 1.00 2.47 C ATOM 1118 CD2 PHE A 71 3.800 -0.003 2.127 1.00 1.73 C ATOM 1119 CE1 PHE A 71 3.841 -2.800 2.439 1.00 2.72 C ATOM 1120 CE2 PHE A 71 2.616 -0.749 1.989 1.00 1.63 C ATOM 1121 CZ PHE A 71 2.634 -2.143 2.149 1.00 1.16 C ATOM 0 H PHE A 71 5.299 2.081 3.668 1.00 0.47 H new ATOM 0 HA PHE A 71 6.374 -0.315 4.596 1.00 0.46 H new ATOM 0 HB2 PHE A 71 6.235 1.025 1.905 1.00 0.46 H new ATOM 0 HB3 PHE A 71 7.123 -0.473 2.099 1.00 0.46 H new ATOM 0 HD1 PHE A 71 5.956 -2.564 2.787 1.00 2.47 H new ATOM 0 HD2 PHE A 71 3.777 1.072 2.024 1.00 1.73 H new ATOM 0 HE1 PHE A 71 3.857 -3.872 2.566 1.00 2.72 H new ATOM 0 HE2 PHE A 71 1.688 -0.247 1.759 1.00 1.63 H new ATOM 0 HZ PHE A 71 1.720 -2.710 2.049 1.00 1.16 H new ATOM 1131 N SER A 72 8.737 1.873 3.769 1.00 0.39 N ATOM 1132 CA SER A 72 10.171 2.167 3.887 1.00 0.37 C ATOM 1133 C SER A 72 10.543 3.553 3.339 1.00 0.38 C ATOM 1134 O SER A 72 9.704 4.235 2.748 1.00 0.43 O ATOM 1135 CB SER A 72 10.938 1.079 3.130 1.00 0.38 C ATOM 1136 OG SER A 72 11.277 0.085 4.063 1.00 0.81 O ATOM 0 H SER A 72 8.202 2.643 3.367 1.00 0.39 H new ATOM 0 HA SER A 72 10.436 2.177 4.944 1.00 0.37 H new ATOM 0 HB2 SER A 72 10.326 0.663 2.330 1.00 0.38 H new ATOM 0 HB3 SER A 72 11.833 1.492 2.665 1.00 0.38 H new ATOM 0 HG SER A 72 10.473 -0.417 4.313 1.00 0.81 H new ATOM 1142 N PRO A 73 11.805 3.999 3.506 1.00 0.41 N ATOM 1143 CA PRO A 73 12.313 5.164 2.792 1.00 0.44 C ATOM 1144 C PRO A 73 12.449 4.886 1.283 1.00 0.42 C ATOM 1145 O PRO A 73 12.298 3.759 0.818 1.00 0.39 O ATOM 1146 CB PRO A 73 13.654 5.485 3.462 1.00 0.52 C ATOM 1147 CG PRO A 73 14.151 4.114 3.912 1.00 0.54 C ATOM 1148 CD PRO A 73 12.864 3.397 4.314 1.00 0.48 C ATOM 0 HA PRO A 73 11.634 6.015 2.850 1.00 0.44 H new ATOM 0 HB2 PRO A 73 14.349 5.958 2.768 1.00 0.52 H new ATOM 0 HB3 PRO A 73 13.531 6.166 4.304 1.00 0.52 H new ATOM 0 HG2 PRO A 73 14.671 3.590 3.110 1.00 0.54 H new ATOM 0 HG3 PRO A 73 14.848 4.191 4.747 1.00 0.54 H new ATOM 0 HD2 PRO A 73 12.938 2.326 4.127 1.00 0.48 H new ATOM 0 HD3 PRO A 73 12.663 3.521 5.378 1.00 0.48 H new ATOM 1156 N ASP A 74 12.700 5.961 0.529 1.00 0.49 N ATOM 1157 CA ASP A 74 12.744 6.050 -0.948 1.00 0.55 C ATOM 1158 C ASP A 74 11.344 6.003 -1.596 1.00 0.51 C ATOM 1159 O ASP A 74 11.181 6.063 -2.810 1.00 0.72 O ATOM 1160 CB ASP A 74 13.747 5.047 -1.551 1.00 0.78 C ATOM 1161 CG ASP A 74 14.347 5.494 -2.892 1.00 1.71 C ATOM 1162 OD1 ASP A 74 14.386 6.723 -3.148 1.00 2.57 O ATOM 1163 OD2 ASP A 74 14.816 4.595 -3.623 1.00 2.80 O ATOM 0 H ASP A 74 12.893 6.865 0.961 1.00 0.49 H new ATOM 0 HA ASP A 74 13.126 7.040 -1.197 1.00 0.55 H new ATOM 0 HB2 ASP A 74 14.556 4.885 -0.839 1.00 0.78 H new ATOM 0 HB3 ASP A 74 13.248 4.088 -1.690 1.00 0.78 H new ATOM 1168 N ALA A 75 10.313 5.990 -0.752 1.00 0.49 N ATOM 1169 CA ALA A 75 8.931 6.332 -1.032 1.00 0.68 C ATOM 1170 C ALA A 75 8.775 7.776 -1.539 1.00 1.16 C ATOM 1171 O ALA A 75 8.462 8.690 -0.771 1.00 3.13 O ATOM 1172 CB ALA A 75 8.194 6.126 0.282 1.00 0.54 C ATOM 0 H ALA A 75 10.440 5.717 0.223 1.00 0.49 H new ATOM 0 HA ALA A 75 8.529 5.709 -1.831 1.00 0.68 H new ATOM 0 HB1 ALA A 75 7.139 6.366 0.149 1.00 0.54 H new ATOM 0 HB2 ALA A 75 8.293 5.087 0.596 1.00 0.54 H new ATOM 0 HB3 ALA A 75 8.621 6.778 1.045 1.00 0.54 H new ATOM 1178 N ARG A 76 9.017 7.984 -2.836 1.00 0.93 N ATOM 1179 CA ARG A 76 8.826 9.276 -3.509 1.00 0.85 C ATOM 1180 C ARG A 76 7.333 9.611 -3.651 1.00 0.85 C ATOM 1181 O ARG A 76 6.472 8.742 -3.512 1.00 1.17 O ATOM 1182 CB ARG A 76 9.547 9.288 -4.872 1.00 0.91 C ATOM 1183 CG ARG A 76 10.952 8.663 -4.783 1.00 0.89 C ATOM 1184 CD ARG A 76 11.861 9.008 -5.964 1.00 1.05 C ATOM 1185 NE ARG A 76 12.443 10.356 -5.816 1.00 1.92 N ATOM 1186 CZ ARG A 76 12.892 11.153 -6.776 1.00 2.87 C ATOM 1187 NH1 ARG A 76 12.820 10.823 -8.045 1.00 3.25 N ATOM 1188 NH2 ARG A 76 13.429 12.311 -6.470 1.00 4.00 N ATOM 0 H ARG A 76 9.356 7.251 -3.459 1.00 0.93 H new ATOM 0 HA ARG A 76 9.272 10.055 -2.891 1.00 0.85 H new ATOM 0 HB2 ARG A 76 8.952 8.741 -5.603 1.00 0.91 H new ATOM 0 HB3 ARG A 76 9.628 10.314 -5.231 1.00 0.91 H new ATOM 0 HG2 ARG A 76 11.429 8.996 -3.861 1.00 0.89 H new ATOM 0 HG3 ARG A 76 10.853 7.579 -4.718 1.00 0.89 H new ATOM 0 HD2 ARG A 76 12.660 8.271 -6.038 1.00 1.05 H new ATOM 0 HD3 ARG A 76 11.291 8.955 -6.892 1.00 1.05 H new ATOM 0 HE ARG A 76 12.507 10.717 -4.864 1.00 1.92 H new ATOM 0 HH11 ARG A 76 12.409 9.930 -8.317 1.00 3.25 H new ATOM 0 HH12 ARG A 76 13.175 11.460 -8.758 1.00 3.25 H new ATOM 0 HH21 ARG A 76 13.501 12.598 -5.494 1.00 4.00 H new ATOM 0 HH22 ARG A 76 13.774 12.924 -7.208 1.00 4.00 H new ATOM 1202 N ASP A 77 7.040 10.880 -3.940 1.00 0.66 N ATOM 1203 CA ASP A 77 5.680 11.374 -4.155 1.00 0.55 C ATOM 1204 C ASP A 77 5.087 10.787 -5.450 1.00 0.53 C ATOM 1205 O ASP A 77 5.544 11.109 -6.550 1.00 0.68 O ATOM 1206 CB ASP A 77 5.698 12.912 -4.170 1.00 0.58 C ATOM 1207 CG ASP A 77 4.293 13.522 -4.171 1.00 2.19 C ATOM 1208 OD1 ASP A 77 3.468 13.058 -3.353 1.00 3.48 O ATOM 1209 OD2 ASP A 77 4.086 14.480 -4.950 1.00 3.37 O ATOM 0 H ASP A 77 7.752 11.604 -4.033 1.00 0.66 H new ATOM 0 HA ASP A 77 5.035 11.048 -3.339 1.00 0.55 H new ATOM 0 HB2 ASP A 77 6.245 13.273 -3.299 1.00 0.58 H new ATOM 0 HB3 ASP A 77 6.239 13.256 -5.051 1.00 0.58 H new ATOM 1214 N LEU A 78 4.119 9.875 -5.315 1.00 0.47 N ATOM 1215 CA LEU A 78 3.442 9.212 -6.438 1.00 0.47 C ATOM 1216 C LEU A 78 2.679 10.219 -7.321 1.00 0.36 C ATOM 1217 O LEU A 78 2.168 11.226 -6.831 1.00 0.38 O ATOM 1218 CB LEU A 78 2.482 8.126 -5.907 1.00 0.59 C ATOM 1219 CG LEU A 78 3.119 7.087 -4.963 1.00 0.88 C ATOM 1220 CD1 LEU A 78 2.083 6.065 -4.495 1.00 1.19 C ATOM 1221 CD2 LEU A 78 4.281 6.354 -5.642 1.00 1.52 C ATOM 0 H LEU A 78 3.776 9.570 -4.404 1.00 0.47 H new ATOM 0 HA LEU A 78 4.205 8.746 -7.061 1.00 0.47 H new ATOM 0 HB2 LEU A 78 1.662 8.615 -5.381 1.00 0.59 H new ATOM 0 HB3 LEU A 78 2.048 7.601 -6.758 1.00 0.59 H new ATOM 0 HG LEU A 78 3.502 7.632 -4.100 1.00 0.88 H new ATOM 0 HD11 LEU A 78 2.558 5.343 -3.830 1.00 1.19 H new ATOM 0 HD12 LEU A 78 1.282 6.577 -3.962 1.00 1.19 H new ATOM 0 HD13 LEU A 78 1.669 5.545 -5.359 1.00 1.19 H new ATOM 0 HD21 LEU A 78 4.708 5.629 -4.949 1.00 1.52 H new ATOM 0 HD22 LEU A 78 3.916 5.837 -6.530 1.00 1.52 H new ATOM 0 HD23 LEU A 78 5.047 7.074 -5.931 1.00 1.52 H new ATOM 1233 N SER A 79 2.546 9.933 -8.626 1.00 0.40 N ATOM 1234 CA SER A 79 1.811 10.807 -9.551 1.00 0.37 C ATOM 1235 C SER A 79 0.353 10.977 -9.122 1.00 0.30 C ATOM 1236 O SER A 79 -0.300 10.034 -8.673 1.00 0.31 O ATOM 1237 CB SER A 79 1.872 10.252 -10.981 1.00 0.44 C ATOM 1238 OG SER A 79 1.083 10.993 -11.896 1.00 1.24 O ATOM 0 H SER A 79 2.940 9.100 -9.064 1.00 0.40 H new ATOM 0 HA SER A 79 2.290 11.786 -9.526 1.00 0.37 H new ATOM 0 HB2 SER A 79 2.908 10.251 -11.321 1.00 0.44 H new ATOM 0 HB3 SER A 79 1.537 9.215 -10.977 1.00 0.44 H new ATOM 0 HG SER A 79 1.160 10.598 -12.789 1.00 1.24 H new ATOM 1244 N ALA A 80 -0.205 12.162 -9.385 1.00 0.37 N ATOM 1245 CA ALA A 80 -1.623 12.443 -9.192 1.00 0.45 C ATOM 1246 C ALA A 80 -2.546 11.499 -9.985 1.00 0.43 C ATOM 1247 O ALA A 80 -3.732 11.415 -9.679 1.00 0.56 O ATOM 1248 CB ALA A 80 -1.889 13.898 -9.579 1.00 0.63 C ATOM 0 H ALA A 80 0.323 12.958 -9.741 1.00 0.37 H new ATOM 0 HA ALA A 80 -1.855 12.272 -8.141 1.00 0.45 H new ATOM 0 HB1 ALA A 80 -2.946 14.124 -9.440 1.00 0.63 H new ATOM 0 HB2 ALA A 80 -1.291 14.557 -8.949 1.00 0.63 H new ATOM 0 HB3 ALA A 80 -1.619 14.052 -10.624 1.00 0.63 H new ATOM 1254 N LYS A 81 -2.030 10.796 -11.009 1.00 0.44 N ATOM 1255 CA LYS A 81 -2.801 9.784 -11.747 1.00 0.49 C ATOM 1256 C LYS A 81 -2.716 8.412 -11.072 1.00 0.44 C ATOM 1257 O LYS A 81 -3.707 7.686 -11.040 1.00 0.48 O ATOM 1258 CB LYS A 81 -2.361 9.696 -13.222 1.00 0.58 C ATOM 1259 CG LYS A 81 -2.106 11.036 -13.937 1.00 0.70 C ATOM 1260 CD LYS A 81 -3.203 12.087 -13.688 1.00 2.19 C ATOM 1261 CE LYS A 81 -3.034 13.310 -14.598 1.00 2.58 C ATOM 1262 NZ LYS A 81 -3.469 14.560 -13.925 1.00 3.90 N ATOM 0 H LYS A 81 -1.074 10.913 -11.345 1.00 0.44 H new ATOM 0 HA LYS A 81 -3.843 10.103 -11.730 1.00 0.49 H new ATOM 0 HB2 LYS A 81 -1.449 9.102 -13.272 1.00 0.58 H new ATOM 0 HB3 LYS A 81 -3.126 9.152 -13.776 1.00 0.58 H new ATOM 0 HG2 LYS A 81 -1.148 11.438 -13.607 1.00 0.70 H new ATOM 0 HG3 LYS A 81 -2.024 10.856 -15.009 1.00 0.70 H new ATOM 0 HD2 LYS A 81 -4.182 11.639 -13.859 1.00 2.19 H new ATOM 0 HD3 LYS A 81 -3.175 12.403 -12.645 1.00 2.19 H new ATOM 0 HE2 LYS A 81 -1.989 13.401 -14.895 1.00 2.58 H new ATOM 0 HE3 LYS A 81 -3.613 13.167 -15.510 1.00 2.58 H new ATOM 0 HZ1 LYS A 81 -3.340 15.365 -14.571 1.00 3.90 H new ATOM 0 HZ2 LYS A 81 -4.473 14.483 -13.664 1.00 3.90 H new ATOM 0 HZ3 LYS A 81 -2.899 14.709 -13.068 1.00 3.90 H new ATOM 1276 N GLU A 82 -1.553 8.109 -10.484 1.00 0.42 N ATOM 1277 CA GLU A 82 -1.284 6.953 -9.627 1.00 0.47 C ATOM 1278 C GLU A 82 -2.299 6.938 -8.490 1.00 0.46 C ATOM 1279 O GLU A 82 -3.144 6.050 -8.435 1.00 0.52 O ATOM 1280 CB GLU A 82 0.166 7.032 -9.095 1.00 0.56 C ATOM 1281 CG GLU A 82 0.913 5.692 -9.074 1.00 0.84 C ATOM 1282 CD GLU A 82 0.820 4.946 -7.746 1.00 1.51 C ATOM 1283 OE1 GLU A 82 -0.214 5.085 -7.056 1.00 2.68 O ATOM 1284 OE2 GLU A 82 1.785 4.202 -7.463 1.00 2.64 O ATOM 0 H GLU A 82 -0.729 8.699 -10.601 1.00 0.42 H new ATOM 0 HA GLU A 82 -1.382 6.025 -10.190 1.00 0.47 H new ATOM 0 HB2 GLU A 82 0.727 7.736 -9.710 1.00 0.56 H new ATOM 0 HB3 GLU A 82 0.146 7.438 -8.084 1.00 0.56 H new ATOM 0 HG2 GLU A 82 0.516 5.055 -9.865 1.00 0.84 H new ATOM 0 HG3 GLU A 82 1.963 5.870 -9.305 1.00 0.84 H new ATOM 1291 N THR A 83 -2.286 7.996 -7.666 1.00 0.46 N ATOM 1292 CA THR A 83 -3.168 8.155 -6.509 1.00 0.57 C ATOM 1293 C THR A 83 -4.647 8.084 -6.899 1.00 0.54 C ATOM 1294 O THR A 83 -5.415 7.400 -6.224 1.00 0.55 O ATOM 1295 CB THR A 83 -2.866 9.454 -5.749 1.00 0.72 C ATOM 1296 OG1 THR A 83 -3.053 10.574 -6.578 1.00 1.84 O ATOM 1297 CG2 THR A 83 -1.431 9.499 -5.222 1.00 2.64 C ATOM 0 H THR A 83 -1.646 8.780 -7.792 1.00 0.46 H new ATOM 0 HA THR A 83 -2.966 7.317 -5.842 1.00 0.57 H new ATOM 0 HB THR A 83 -3.558 9.477 -4.907 1.00 0.72 H new ATOM 0 HG1 THR A 83 -2.857 11.391 -6.073 1.00 1.84 H new ATOM 0 HG21 THR A 83 -1.267 10.437 -4.692 1.00 2.64 H new ATOM 0 HG22 THR A 83 -1.267 8.664 -4.541 1.00 2.64 H new ATOM 0 HG23 THR A 83 -0.734 9.428 -6.057 1.00 2.64 H new ATOM 1305 N LYS A 84 -5.050 8.728 -8.006 1.00 0.54 N ATOM 1306 CA LYS A 84 -6.428 8.694 -8.517 1.00 0.57 C ATOM 1307 C LYS A 84 -6.906 7.267 -8.816 1.00 0.49 C ATOM 1308 O LYS A 84 -7.956 6.869 -8.306 1.00 0.56 O ATOM 1309 CB LYS A 84 -6.562 9.628 -9.730 1.00 0.65 C ATOM 1310 CG LYS A 84 -8.027 9.981 -10.017 1.00 1.22 C ATOM 1311 CD LYS A 84 -8.139 10.957 -11.197 1.00 1.32 C ATOM 1312 CE LYS A 84 -9.558 11.536 -11.255 1.00 1.98 C ATOM 1313 NZ LYS A 84 -9.733 12.453 -12.406 1.00 2.01 N ATOM 0 H LYS A 84 -4.421 9.293 -8.577 1.00 0.54 H new ATOM 0 HA LYS A 84 -7.091 9.062 -7.734 1.00 0.57 H new ATOM 0 HB2 LYS A 84 -5.996 10.542 -9.549 1.00 0.65 H new ATOM 0 HB3 LYS A 84 -6.125 9.150 -10.607 1.00 0.65 H new ATOM 0 HG2 LYS A 84 -8.587 9.072 -10.238 1.00 1.22 H new ATOM 0 HG3 LYS A 84 -8.478 10.425 -9.130 1.00 1.22 H new ATOM 0 HD2 LYS A 84 -7.412 11.761 -11.087 1.00 1.32 H new ATOM 0 HD3 LYS A 84 -7.907 10.443 -12.130 1.00 1.32 H new ATOM 0 HE2 LYS A 84 -10.280 10.722 -11.326 1.00 1.98 H new ATOM 0 HE3 LYS A 84 -9.770 12.071 -10.329 1.00 1.98 H new ATOM 0 HZ1 LYS A 84 -10.705 12.823 -12.410 1.00 2.01 H new ATOM 0 HZ2 LYS A 84 -9.062 13.243 -12.325 1.00 2.01 H new ATOM 0 HZ3 LYS A 84 -9.555 11.937 -13.291 1.00 2.01 H new ATOM 1327 N MET A 85 -6.151 6.492 -9.609 1.00 0.42 N ATOM 1328 CA MET A 85 -6.488 5.083 -9.848 1.00 0.46 C ATOM 1329 C MET A 85 -6.343 4.227 -8.587 1.00 0.46 C ATOM 1330 O MET A 85 -7.228 3.421 -8.317 1.00 0.53 O ATOM 1331 CB MET A 85 -5.661 4.475 -10.995 1.00 0.51 C ATOM 1332 CG MET A 85 -6.312 4.696 -12.365 1.00 1.28 C ATOM 1333 SD MET A 85 -6.030 6.309 -13.143 1.00 3.25 S ATOM 1334 CE MET A 85 -4.359 6.020 -13.788 1.00 3.72 C ATOM 0 H MET A 85 -5.312 6.814 -10.091 1.00 0.42 H new ATOM 0 HA MET A 85 -7.538 5.076 -10.142 1.00 0.46 H new ATOM 0 HB2 MET A 85 -4.664 4.916 -10.994 1.00 0.51 H new ATOM 0 HB3 MET A 85 -5.537 3.406 -10.823 1.00 0.51 H new ATOM 0 HG2 MET A 85 -5.951 3.922 -13.043 1.00 1.28 H new ATOM 0 HG3 MET A 85 -7.387 4.551 -12.259 1.00 1.28 H new ATOM 0 HE1 MET A 85 -4.010 6.913 -14.307 1.00 3.72 H new ATOM 0 HE2 MET A 85 -3.685 5.793 -12.962 1.00 3.72 H new ATOM 0 HE3 MET A 85 -4.377 5.181 -14.483 1.00 3.72 H new ATOM 1344 N LEU A 86 -5.271 4.401 -7.807 1.00 0.43 N ATOM 1345 CA LEU A 86 -5.013 3.691 -6.553 1.00 0.48 C ATOM 1346 C LEU A 86 -6.191 3.810 -5.584 1.00 0.52 C ATOM 1347 O LEU A 86 -6.660 2.787 -5.090 1.00 0.59 O ATOM 1348 CB LEU A 86 -3.683 4.196 -5.963 1.00 0.51 C ATOM 1349 CG LEU A 86 -3.363 3.839 -4.497 1.00 0.71 C ATOM 1350 CD1 LEU A 86 -3.651 2.384 -4.128 1.00 1.78 C ATOM 1351 CD2 LEU A 86 -1.904 4.194 -4.204 1.00 1.78 C ATOM 0 H LEU A 86 -4.533 5.065 -8.042 1.00 0.43 H new ATOM 0 HA LEU A 86 -4.914 2.623 -6.745 1.00 0.48 H new ATOM 0 HB2 LEU A 86 -2.874 3.813 -6.585 1.00 0.51 H new ATOM 0 HB3 LEU A 86 -3.668 5.282 -6.054 1.00 0.51 H new ATOM 0 HG LEU A 86 -4.035 4.428 -3.873 1.00 0.71 H new ATOM 0 HD11 LEU A 86 -3.399 2.217 -3.081 1.00 1.78 H new ATOM 0 HD12 LEU A 86 -4.709 2.171 -4.285 1.00 1.78 H new ATOM 0 HD13 LEU A 86 -3.052 1.724 -4.755 1.00 1.78 H new ATOM 0 HD21 LEU A 86 -1.670 3.945 -3.169 1.00 1.78 H new ATOM 0 HD22 LEU A 86 -1.251 3.630 -4.870 1.00 1.78 H new ATOM 0 HD23 LEU A 86 -1.750 5.261 -4.364 1.00 1.78 H new ATOM 1363 N MET A 87 -6.702 5.025 -5.347 1.00 0.53 N ATOM 1364 CA MET A 87 -7.850 5.252 -4.467 1.00 0.64 C ATOM 1365 C MET A 87 -9.060 4.425 -4.919 1.00 0.64 C ATOM 1366 O MET A 87 -9.583 3.631 -4.138 1.00 0.72 O ATOM 1367 CB MET A 87 -8.167 6.756 -4.391 1.00 0.75 C ATOM 1368 CG MET A 87 -9.126 7.080 -3.236 1.00 1.50 C ATOM 1369 SD MET A 87 -8.550 8.416 -2.146 1.00 2.97 S ATOM 1370 CE MET A 87 -9.833 9.665 -2.433 1.00 3.16 C ATOM 0 H MET A 87 -6.328 5.879 -5.762 1.00 0.53 H new ATOM 0 HA MET A 87 -7.599 4.916 -3.461 1.00 0.64 H new ATOM 0 HB2 MET A 87 -7.241 7.316 -4.262 1.00 0.75 H new ATOM 0 HB3 MET A 87 -8.609 7.082 -5.333 1.00 0.75 H new ATOM 0 HG2 MET A 87 -10.096 7.356 -3.650 1.00 1.50 H new ATOM 0 HG3 MET A 87 -9.278 6.180 -2.641 1.00 1.50 H new ATOM 0 HE1 MET A 87 -9.621 10.549 -1.832 1.00 3.16 H new ATOM 0 HE2 MET A 87 -9.846 9.937 -3.488 1.00 3.16 H new ATOM 0 HE3 MET A 87 -10.805 9.260 -2.151 1.00 3.16 H new ATOM 1380 N ALA A 88 -9.466 4.569 -6.187 1.00 0.61 N ATOM 1381 CA ALA A 88 -10.602 3.857 -6.771 1.00 0.65 C ATOM 1382 C ALA A 88 -10.408 2.329 -6.846 1.00 0.57 C ATOM 1383 O ALA A 88 -11.357 1.581 -6.625 1.00 0.61 O ATOM 1384 CB ALA A 88 -10.858 4.443 -8.165 1.00 0.71 C ATOM 0 H ALA A 88 -9.003 5.196 -6.845 1.00 0.61 H new ATOM 0 HA ALA A 88 -11.463 4.000 -6.118 1.00 0.65 H new ATOM 0 HB1 ALA A 88 -11.702 3.930 -8.626 1.00 0.71 H new ATOM 0 HB2 ALA A 88 -11.083 5.506 -8.077 1.00 0.71 H new ATOM 0 HB3 ALA A 88 -9.971 4.310 -8.784 1.00 0.71 H new ATOM 1390 N ALA A 89 -9.203 1.850 -7.180 1.00 0.53 N ATOM 1391 CA ALA A 89 -8.915 0.426 -7.338 1.00 0.48 C ATOM 1392 C ALA A 89 -8.698 -0.292 -5.999 1.00 0.48 C ATOM 1393 O ALA A 89 -9.174 -1.414 -5.833 1.00 0.59 O ATOM 1394 CB ALA A 89 -7.693 0.261 -8.250 1.00 0.59 C ATOM 0 H ALA A 89 -8.395 2.449 -7.349 1.00 0.53 H new ATOM 0 HA ALA A 89 -9.787 -0.044 -7.792 1.00 0.48 H new ATOM 0 HB1 ALA A 89 -7.471 -0.799 -8.373 1.00 0.59 H new ATOM 0 HB2 ALA A 89 -7.903 0.703 -9.224 1.00 0.59 H new ATOM 0 HB3 ALA A 89 -6.835 0.762 -7.802 1.00 0.59 H new ATOM 1400 N GLY A 90 -7.987 0.336 -5.053 1.00 0.56 N ATOM 1401 CA GLY A 90 -7.696 -0.221 -3.733 1.00 0.69 C ATOM 1402 C GLY A 90 -8.951 -0.366 -2.870 1.00 0.68 C ATOM 1403 O GLY A 90 -9.128 -1.382 -2.196 1.00 0.79 O ATOM 0 H GLY A 90 -7.591 1.266 -5.191 1.00 0.56 H new ATOM 0 HA2 GLY A 90 -7.224 -1.197 -3.850 1.00 0.69 H new ATOM 0 HA3 GLY A 90 -6.979 0.421 -3.221 1.00 0.69 H new ATOM 1407 N ASP A 91 -9.836 0.637 -2.910 1.00 0.63 N ATOM 1408 CA ASP A 91 -11.165 0.610 -2.303 1.00 0.62 C ATOM 1409 C ASP A 91 -12.112 -0.371 -3.037 1.00 0.71 C ATOM 1410 O ASP A 91 -13.061 0.024 -3.712 1.00 0.78 O ATOM 1411 CB ASP A 91 -11.707 2.036 -2.264 1.00 0.65 C ATOM 1412 CG ASP A 91 -13.153 2.066 -1.793 1.00 0.75 C ATOM 1413 OD1 ASP A 91 -13.500 1.445 -0.755 1.00 0.79 O ATOM 1414 OD2 ASP A 91 -13.943 2.712 -2.503 1.00 1.21 O ATOM 0 H ASP A 91 -9.636 1.518 -3.383 1.00 0.63 H new ATOM 0 HA ASP A 91 -11.097 0.233 -1.283 1.00 0.62 H new ATOM 0 HB2 ASP A 91 -11.093 2.642 -1.598 1.00 0.65 H new ATOM 0 HB3 ASP A 91 -11.636 2.481 -3.256 1.00 0.65 H new ATOM 1419 N LYS A 92 -11.892 -1.682 -2.886 1.00 0.83 N ATOM 1420 CA LYS A 92 -12.785 -2.697 -3.474 1.00 0.96 C ATOM 1421 C LYS A 92 -14.222 -2.682 -2.926 1.00 0.85 C ATOM 1422 O LYS A 92 -15.104 -3.226 -3.584 1.00 0.92 O ATOM 1423 CB LYS A 92 -12.168 -4.095 -3.340 1.00 1.15 C ATOM 1424 CG LYS A 92 -11.079 -4.371 -4.387 1.00 1.75 C ATOM 1425 CD LYS A 92 -11.639 -4.535 -5.813 1.00 2.55 C ATOM 1426 CE LYS A 92 -11.287 -3.345 -6.713 1.00 3.60 C ATOM 1427 NZ LYS A 92 -11.952 -3.454 -8.033 1.00 4.53 N ATOM 0 H LYS A 92 -11.106 -2.068 -2.363 1.00 0.83 H new ATOM 0 HA LYS A 92 -12.877 -2.431 -4.527 1.00 0.96 H new ATOM 0 HB2 LYS A 92 -11.742 -4.204 -2.343 1.00 1.15 H new ATOM 0 HB3 LYS A 92 -12.954 -4.844 -3.435 1.00 1.15 H new ATOM 0 HG2 LYS A 92 -10.359 -3.553 -4.378 1.00 1.75 H new ATOM 0 HG3 LYS A 92 -10.537 -5.275 -4.110 1.00 1.75 H new ATOM 0 HD2 LYS A 92 -11.245 -5.451 -6.253 1.00 2.55 H new ATOM 0 HD3 LYS A 92 -12.722 -4.645 -5.766 1.00 2.55 H new ATOM 0 HE2 LYS A 92 -11.588 -2.417 -6.227 1.00 3.60 H new ATOM 0 HE3 LYS A 92 -10.207 -3.297 -6.850 1.00 3.60 H new ATOM 0 HZ1 LYS A 92 -11.695 -2.635 -8.620 1.00 4.53 H new ATOM 0 HZ2 LYS A 92 -11.645 -4.328 -8.505 1.00 4.53 H new ATOM 0 HZ3 LYS A 92 -12.983 -3.476 -7.901 1.00 4.53 H new ATOM 1441 N ASP A 93 -14.464 -2.045 -1.776 1.00 0.73 N ATOM 1442 CA ASP A 93 -15.807 -1.858 -1.207 1.00 0.62 C ATOM 1443 C ASP A 93 -16.615 -0.723 -1.860 1.00 0.58 C ATOM 1444 O ASP A 93 -17.841 -0.792 -1.864 1.00 0.73 O ATOM 1445 CB ASP A 93 -15.692 -1.536 0.291 1.00 0.79 C ATOM 1446 CG ASP A 93 -15.410 -2.748 1.179 1.00 1.09 C ATOM 1447 OD1 ASP A 93 -15.839 -3.867 0.834 1.00 1.46 O ATOM 1448 OD2 ASP A 93 -14.743 -2.501 2.209 1.00 1.78 O ATOM 0 H ASP A 93 -13.724 -1.638 -1.204 1.00 0.73 H new ATOM 0 HA ASP A 93 -16.335 -2.793 -1.394 1.00 0.62 H new ATOM 0 HB2 ASP A 93 -14.896 -0.804 0.433 1.00 0.79 H new ATOM 0 HB3 ASP A 93 -16.619 -1.067 0.621 1.00 0.79 H new ATOM 1453 N GLY A 94 -15.962 0.327 -2.379 1.00 0.58 N ATOM 1454 CA GLY A 94 -16.646 1.530 -2.865 1.00 0.68 C ATOM 1455 C GLY A 94 -16.880 2.632 -1.809 1.00 0.68 C ATOM 1456 O GLY A 94 -17.758 3.467 -2.015 1.00 0.87 O ATOM 0 H GLY A 94 -14.947 0.364 -2.473 1.00 0.58 H new ATOM 0 HA2 GLY A 94 -16.063 1.953 -3.683 1.00 0.68 H new ATOM 0 HA3 GLY A 94 -17.611 1.237 -3.279 1.00 0.68 H new ATOM 1460 N ASP A 95 -16.131 2.661 -0.691 1.00 0.56 N ATOM 1461 CA ASP A 95 -16.199 3.754 0.309 1.00 0.62 C ATOM 1462 C ASP A 95 -15.367 5.005 -0.056 1.00 0.66 C ATOM 1463 O ASP A 95 -15.461 6.041 0.600 1.00 0.89 O ATOM 1464 CB ASP A 95 -15.635 3.302 1.664 1.00 0.70 C ATOM 1465 CG ASP A 95 -16.218 2.012 2.217 1.00 1.04 C ATOM 1466 OD1 ASP A 95 -17.432 1.959 2.484 1.00 1.96 O ATOM 1467 OD2 ASP A 95 -15.377 1.101 2.426 1.00 1.06 O ATOM 0 H ASP A 95 -15.461 1.930 -0.452 1.00 0.56 H new ATOM 0 HA ASP A 95 -17.260 4.002 0.340 1.00 0.62 H new ATOM 0 HB2 ASP A 95 -14.556 3.180 1.567 1.00 0.70 H new ATOM 0 HB3 ASP A 95 -15.802 4.097 2.391 1.00 0.70 H new ATOM 1472 N GLY A 96 -14.463 4.865 -1.025 1.00 0.62 N ATOM 1473 CA GLY A 96 -13.360 5.753 -1.384 1.00 0.68 C ATOM 1474 C GLY A 96 -12.193 5.820 -0.392 1.00 0.50 C ATOM 1475 O GLY A 96 -11.324 6.673 -0.550 1.00 0.70 O ATOM 0 H GLY A 96 -14.488 4.049 -1.636 1.00 0.62 H new ATOM 0 HA2 GLY A 96 -12.969 5.439 -2.352 1.00 0.68 H new ATOM 0 HA3 GLY A 96 -13.759 6.759 -1.512 1.00 0.68 H new ATOM 1479 N LYS A 97 -12.128 4.900 0.582 1.00 0.30 N ATOM 1480 CA LYS A 97 -10.947 4.632 1.413 1.00 0.29 C ATOM 1481 C LYS A 97 -10.521 3.177 1.334 1.00 0.30 C ATOM 1482 O LYS A 97 -11.361 2.275 1.321 1.00 0.37 O ATOM 1483 CB LYS A 97 -11.242 4.944 2.880 1.00 0.40 C ATOM 1484 CG LYS A 97 -11.149 6.441 3.148 1.00 0.52 C ATOM 1485 CD LYS A 97 -12.444 7.100 3.597 1.00 0.81 C ATOM 1486 CE LYS A 97 -12.682 6.793 5.079 1.00 1.81 C ATOM 1487 NZ LYS A 97 -13.852 7.525 5.603 1.00 2.36 N ATOM 0 H LYS A 97 -12.921 4.304 0.820 1.00 0.30 H new ATOM 0 HA LYS A 97 -10.149 5.269 1.032 1.00 0.29 H new ATOM 0 HB2 LYS A 97 -12.238 4.586 3.139 1.00 0.40 H new ATOM 0 HB3 LYS A 97 -10.536 4.412 3.518 1.00 0.40 H new ATOM 0 HG2 LYS A 97 -10.390 6.611 3.912 1.00 0.52 H new ATOM 0 HG3 LYS A 97 -10.804 6.936 2.240 1.00 0.52 H new ATOM 0 HD2 LYS A 97 -12.390 8.177 3.441 1.00 0.81 H new ATOM 0 HD3 LYS A 97 -13.278 6.733 2.999 1.00 0.81 H new ATOM 0 HE2 LYS A 97 -12.834 5.722 5.210 1.00 1.81 H new ATOM 0 HE3 LYS A 97 -11.796 7.062 5.654 1.00 1.81 H new ATOM 0 HZ1 LYS A 97 -13.984 7.294 6.608 1.00 2.36 H new ATOM 0 HZ2 LYS A 97 -13.696 8.548 5.500 1.00 2.36 H new ATOM 0 HZ3 LYS A 97 -14.701 7.249 5.070 1.00 2.36 H new ATOM 1501 N ILE A 98 -9.210 2.957 1.407 1.00 0.31 N ATOM 1502 CA ILE A 98 -8.620 1.622 1.510 1.00 0.30 C ATOM 1503 C ILE A 98 -8.674 1.194 2.972 1.00 0.30 C ATOM 1504 O ILE A 98 -8.150 1.898 3.841 1.00 0.35 O ATOM 1505 CB ILE A 98 -7.173 1.618 0.975 1.00 0.33 C ATOM 1506 CG1 ILE A 98 -7.199 2.003 -0.517 1.00 0.40 C ATOM 1507 CG2 ILE A 98 -6.445 0.278 1.224 1.00 0.46 C ATOM 1508 CD1 ILE A 98 -5.822 2.186 -1.144 1.00 0.40 C ATOM 0 H ILE A 98 -8.519 3.708 1.396 1.00 0.31 H new ATOM 0 HA ILE A 98 -9.182 0.914 0.900 1.00 0.30 H new ATOM 0 HB ILE A 98 -6.592 2.356 1.528 1.00 0.33 H new ATOM 0 HG12 ILE A 98 -7.737 1.232 -1.069 1.00 0.40 H new ATOM 0 HG13 ILE A 98 -7.763 2.929 -0.631 1.00 0.40 H new ATOM 0 HG21 ILE A 98 -5.432 0.335 0.826 1.00 0.46 H new ATOM 0 HG22 ILE A 98 -6.404 0.080 2.295 1.00 0.46 H new ATOM 0 HG23 ILE A 98 -6.985 -0.527 0.727 1.00 0.46 H new ATOM 0 HD11 ILE A 98 -5.933 2.456 -2.194 1.00 0.40 H new ATOM 0 HD12 ILE A 98 -5.286 2.978 -0.621 1.00 0.40 H new ATOM 0 HD13 ILE A 98 -5.260 1.255 -1.066 1.00 0.40 H new ATOM 1520 N GLY A 99 -9.287 0.034 3.216 1.00 0.35 N ATOM 1521 CA GLY A 99 -9.089 -0.755 4.425 1.00 0.45 C ATOM 1522 C GLY A 99 -8.348 -2.061 4.115 1.00 0.38 C ATOM 1523 O GLY A 99 -8.306 -2.533 2.976 1.00 0.37 O ATOM 0 H GLY A 99 -9.947 -0.388 2.563 1.00 0.35 H new ATOM 0 HA2 GLY A 99 -8.522 -0.175 5.153 1.00 0.45 H new ATOM 0 HA3 GLY A 99 -10.054 -0.980 4.879 1.00 0.45 H new ATOM 1527 N VAL A 100 -7.751 -2.642 5.160 1.00 0.49 N ATOM 1528 CA VAL A 100 -6.953 -3.876 5.127 1.00 0.56 C ATOM 1529 C VAL A 100 -7.602 -5.029 4.359 1.00 0.51 C ATOM 1530 O VAL A 100 -6.954 -5.631 3.503 1.00 0.62 O ATOM 1531 CB VAL A 100 -6.583 -4.314 6.561 1.00 0.73 C ATOM 1532 CG1 VAL A 100 -7.766 -4.458 7.535 1.00 0.66 C ATOM 1533 CG2 VAL A 100 -5.776 -5.613 6.533 1.00 0.97 C ATOM 0 H VAL A 100 -7.813 -2.247 6.098 1.00 0.49 H new ATOM 0 HA VAL A 100 -6.049 -3.630 4.569 1.00 0.56 H new ATOM 0 HB VAL A 100 -5.984 -3.492 6.953 1.00 0.73 H new ATOM 0 HG11 VAL A 100 -7.397 -4.769 8.512 1.00 0.66 H new ATOM 0 HG12 VAL A 100 -8.279 -3.501 7.629 1.00 0.66 H new ATOM 0 HG13 VAL A 100 -8.461 -5.206 7.155 1.00 0.66 H new ATOM 0 HG21 VAL A 100 -5.524 -5.907 7.552 1.00 0.97 H new ATOM 0 HG22 VAL A 100 -6.368 -6.399 6.065 1.00 0.97 H new ATOM 0 HG23 VAL A 100 -4.860 -5.460 5.962 1.00 0.97 H new ATOM 1543 N ASP A 101 -8.844 -5.373 4.707 1.00 0.44 N ATOM 1544 CA ASP A 101 -9.517 -6.593 4.259 1.00 0.49 C ATOM 1545 C ASP A 101 -9.740 -6.568 2.738 1.00 0.48 C ATOM 1546 O ASP A 101 -9.490 -7.555 2.035 1.00 0.53 O ATOM 1547 CB ASP A 101 -10.828 -6.732 5.051 1.00 0.53 C ATOM 1548 CG ASP A 101 -11.173 -8.197 5.304 1.00 0.85 C ATOM 1549 OD1 ASP A 101 -10.498 -8.784 6.182 1.00 1.66 O ATOM 1550 OD2 ASP A 101 -12.098 -8.703 4.636 1.00 1.88 O ATOM 0 H ASP A 101 -9.422 -4.799 5.321 1.00 0.44 H new ATOM 0 HA ASP A 101 -8.897 -7.468 4.453 1.00 0.49 H new ATOM 0 HB2 ASP A 101 -10.737 -6.208 6.003 1.00 0.53 H new ATOM 0 HB3 ASP A 101 -11.639 -6.255 4.501 1.00 0.53 H new ATOM 1555 N GLU A 102 -10.093 -5.383 2.221 1.00 0.44 N ATOM 1556 CA GLU A 102 -10.076 -5.086 0.795 1.00 0.46 C ATOM 1557 C GLU A 102 -8.658 -5.206 0.248 1.00 0.47 C ATOM 1558 O GLU A 102 -8.421 -6.008 -0.644 1.00 0.54 O ATOM 1559 CB GLU A 102 -10.590 -3.671 0.502 1.00 0.54 C ATOM 1560 CG GLU A 102 -11.924 -3.334 1.164 1.00 0.63 C ATOM 1561 CD GLU A 102 -11.699 -2.231 2.194 1.00 0.96 C ATOM 1562 OE1 GLU A 102 -11.792 -1.039 1.795 1.00 1.00 O ATOM 1563 OE2 GLU A 102 -11.420 -2.529 3.371 1.00 2.28 O ATOM 0 H GLU A 102 -10.401 -4.598 2.795 1.00 0.44 H new ATOM 0 HA GLU A 102 -10.734 -5.808 0.311 1.00 0.46 H new ATOM 0 HB2 GLU A 102 -9.842 -2.950 0.833 1.00 0.54 H new ATOM 0 HB3 GLU A 102 -10.693 -3.551 -0.576 1.00 0.54 H new ATOM 0 HG2 GLU A 102 -12.645 -3.009 0.414 1.00 0.63 H new ATOM 0 HG3 GLU A 102 -12.341 -4.219 1.644 1.00 0.63 H new ATOM 1570 N PHE A 103 -7.711 -4.417 0.768 1.00 0.47 N ATOM 1571 CA PHE A 103 -6.371 -4.274 0.196 1.00 0.55 C ATOM 1572 C PHE A 103 -5.640 -5.623 0.066 1.00 0.60 C ATOM 1573 O PHE A 103 -5.015 -5.892 -0.959 1.00 0.72 O ATOM 1574 CB PHE A 103 -5.597 -3.243 1.043 1.00 0.68 C ATOM 1575 CG PHE A 103 -4.576 -2.358 0.345 1.00 0.68 C ATOM 1576 CD1 PHE A 103 -4.762 -1.904 -0.978 1.00 2.54 C ATOM 1577 CD2 PHE A 103 -3.473 -1.882 1.081 1.00 1.70 C ATOM 1578 CE1 PHE A 103 -3.813 -1.059 -1.582 1.00 3.04 C ATOM 1579 CE2 PHE A 103 -2.529 -1.032 0.482 1.00 1.94 C ATOM 1580 CZ PHE A 103 -2.690 -0.629 -0.855 1.00 2.03 C ATOM 0 H PHE A 103 -7.857 -3.855 1.606 1.00 0.47 H new ATOM 0 HA PHE A 103 -6.444 -3.908 -0.828 1.00 0.55 H new ATOM 0 HB2 PHE A 103 -6.327 -2.592 1.524 1.00 0.68 H new ATOM 0 HB3 PHE A 103 -5.081 -3.784 1.836 1.00 0.68 H new ATOM 0 HD1 PHE A 103 -5.639 -2.207 -1.531 1.00 2.54 H new ATOM 0 HD2 PHE A 103 -3.352 -2.173 2.114 1.00 1.70 H new ATOM 0 HE1 PHE A 103 -3.948 -0.741 -2.605 1.00 3.04 H new ATOM 0 HE2 PHE A 103 -1.677 -0.687 1.050 1.00 1.94 H new ATOM 0 HZ PHE A 103 -1.954 0.009 -1.322 1.00 2.03 H new ATOM 1590 N SER A 104 -5.811 -6.501 1.063 1.00 0.57 N ATOM 1591 CA SER A 104 -5.359 -7.898 1.098 1.00 0.61 C ATOM 1592 C SER A 104 -5.886 -8.761 -0.055 1.00 0.60 C ATOM 1593 O SER A 104 -5.163 -9.598 -0.596 1.00 0.83 O ATOM 1594 CB SER A 104 -5.840 -8.501 2.422 1.00 0.62 C ATOM 1595 OG SER A 104 -5.338 -9.810 2.585 1.00 1.07 O ATOM 0 H SER A 104 -6.299 -6.239 1.920 1.00 0.57 H new ATOM 0 HA SER A 104 -4.274 -7.892 0.999 1.00 0.61 H new ATOM 0 HB2 SER A 104 -5.514 -7.875 3.252 1.00 0.62 H new ATOM 0 HB3 SER A 104 -6.930 -8.518 2.445 1.00 0.62 H new ATOM 0 HG SER A 104 -5.654 -10.178 3.436 1.00 1.07 H new ATOM 1601 N THR A 105 -7.150 -8.567 -0.435 1.00 0.51 N ATOM 1602 CA THR A 105 -7.897 -9.461 -1.326 1.00 0.53 C ATOM 1603 C THR A 105 -8.045 -8.902 -2.740 1.00 0.55 C ATOM 1604 O THR A 105 -7.988 -9.657 -3.707 1.00 0.56 O ATOM 1605 CB THR A 105 -9.264 -9.783 -0.715 1.00 0.53 C ATOM 1606 OG1 THR A 105 -9.975 -8.617 -0.350 1.00 0.47 O ATOM 1607 CG2 THR A 105 -9.101 -10.671 0.517 1.00 0.55 C ATOM 0 H THR A 105 -7.698 -7.764 -0.125 1.00 0.51 H new ATOM 0 HA THR A 105 -7.320 -10.381 -1.423 1.00 0.53 H new ATOM 0 HB THR A 105 -9.836 -10.306 -1.482 1.00 0.53 H new ATOM 0 HG1 THR A 105 -9.903 -8.479 0.618 1.00 0.47 H new ATOM 0 HG21 THR A 105 -10.081 -10.891 0.939 1.00 0.55 H new ATOM 0 HG22 THR A 105 -8.612 -11.602 0.232 1.00 0.55 H new ATOM 0 HG23 THR A 105 -8.493 -10.154 1.260 1.00 0.55 H new ATOM 1615 N LEU A 106 -8.085 -7.576 -2.867 1.00 0.61 N ATOM 1616 CA LEU A 106 -7.926 -6.762 -4.073 1.00 0.66 C ATOM 1617 C LEU A 106 -6.805 -7.303 -4.972 1.00 0.67 C ATOM 1618 O LEU A 106 -7.001 -7.535 -6.162 1.00 0.90 O ATOM 1619 CB LEU A 106 -7.696 -5.319 -3.559 1.00 0.76 C ATOM 1620 CG LEU A 106 -7.356 -4.160 -4.517 1.00 0.81 C ATOM 1621 CD1 LEU A 106 -5.875 -3.797 -4.392 1.00 1.81 C ATOM 1622 CD2 LEU A 106 -7.700 -4.386 -5.989 1.00 2.62 C ATOM 0 H LEU A 106 -8.245 -6.988 -2.049 1.00 0.61 H new ATOM 0 HA LEU A 106 -8.802 -6.788 -4.722 1.00 0.66 H new ATOM 0 HB2 LEU A 106 -8.598 -5.029 -3.020 1.00 0.76 H new ATOM 0 HB3 LEU A 106 -6.890 -5.370 -2.827 1.00 0.76 H new ATOM 0 HG LEU A 106 -8.001 -3.342 -4.196 1.00 0.81 H new ATOM 0 HD11 LEU A 106 -5.643 -2.977 -5.072 1.00 1.81 H new ATOM 0 HD12 LEU A 106 -5.661 -3.491 -3.368 1.00 1.81 H new ATOM 0 HD13 LEU A 106 -5.265 -4.664 -4.647 1.00 1.81 H new ATOM 0 HD21 LEU A 106 -7.417 -3.507 -6.568 1.00 2.62 H new ATOM 0 HD22 LEU A 106 -7.157 -5.255 -6.360 1.00 2.62 H new ATOM 0 HD23 LEU A 106 -8.772 -4.558 -6.090 1.00 2.62 H new ATOM 1634 N VAL A 107 -5.625 -7.551 -4.404 1.00 0.57 N ATOM 1635 CA VAL A 107 -4.460 -8.070 -5.143 1.00 0.67 C ATOM 1636 C VAL A 107 -4.515 -9.566 -5.459 1.00 0.70 C ATOM 1637 O VAL A 107 -3.754 -10.049 -6.298 1.00 0.86 O ATOM 1638 CB VAL A 107 -3.182 -7.818 -4.347 1.00 0.70 C ATOM 1639 CG1 VAL A 107 -2.995 -6.319 -4.118 1.00 0.70 C ATOM 1640 CG2 VAL A 107 -3.178 -8.584 -3.022 1.00 0.73 C ATOM 0 H VAL A 107 -5.443 -7.398 -3.412 1.00 0.57 H new ATOM 0 HA VAL A 107 -4.473 -7.534 -6.092 1.00 0.67 H new ATOM 0 HB VAL A 107 -2.341 -8.191 -4.931 1.00 0.70 H new ATOM 0 HG11 VAL A 107 -2.081 -6.149 -3.549 1.00 0.70 H new ATOM 0 HG12 VAL A 107 -2.924 -5.810 -5.079 1.00 0.70 H new ATOM 0 HG13 VAL A 107 -3.846 -5.927 -3.562 1.00 0.70 H new ATOM 0 HG21 VAL A 107 -2.252 -8.378 -2.485 1.00 0.73 H new ATOM 0 HG22 VAL A 107 -4.027 -8.267 -2.416 1.00 0.73 H new ATOM 0 HG23 VAL A 107 -3.253 -9.653 -3.220 1.00 0.73 H new ATOM 1650 N ALA A 108 -5.371 -10.301 -4.749 1.00 0.55 N ATOM 1651 CA ALA A 108 -5.586 -11.732 -4.898 1.00 0.52 C ATOM 1652 C ALA A 108 -6.590 -12.006 -6.018 1.00 0.71 C ATOM 1653 O ALA A 108 -6.333 -12.849 -6.872 1.00 0.84 O ATOM 1654 CB ALA A 108 -6.053 -12.297 -3.556 1.00 0.46 C ATOM 0 H ALA A 108 -5.958 -9.892 -4.022 1.00 0.55 H new ATOM 0 HA ALA A 108 -4.657 -12.228 -5.180 1.00 0.52 H new ATOM 0 HB1 ALA A 108 -6.219 -13.370 -3.651 1.00 0.46 H new ATOM 0 HB2 ALA A 108 -5.291 -12.113 -2.799 1.00 0.46 H new ATOM 0 HB3 ALA A 108 -6.983 -11.811 -3.260 1.00 0.46 H new ATOM 1660 N GLU A 109 -7.661 -11.205 -6.061 1.00 0.87 N ATOM 1661 CA GLU A 109 -8.456 -10.956 -7.262 1.00 1.11 C ATOM 1662 C GLU A 109 -7.568 -10.449 -8.404 1.00 1.28 C ATOM 1663 O GLU A 109 -7.704 -10.901 -9.540 1.00 1.58 O ATOM 1664 CB GLU A 109 -9.560 -9.926 -6.939 1.00 1.32 C ATOM 1665 CG GLU A 109 -10.966 -10.530 -7.008 1.00 1.91 C ATOM 1666 CD GLU A 109 -11.408 -10.731 -8.460 1.00 2.64 C ATOM 1667 OE1 GLU A 109 -11.775 -9.713 -9.090 1.00 3.05 O ATOM 1668 OE2 GLU A 109 -11.359 -11.893 -8.918 1.00 3.54 O ATOM 0 H GLU A 109 -8.004 -10.702 -5.242 1.00 0.87 H new ATOM 0 HA GLU A 109 -8.917 -11.890 -7.585 1.00 1.11 H new ATOM 0 HB2 GLU A 109 -9.392 -9.519 -5.942 1.00 1.32 H new ATOM 0 HB3 GLU A 109 -9.491 -9.093 -7.639 1.00 1.32 H new ATOM 0 HG2 GLU A 109 -10.981 -11.486 -6.484 1.00 1.91 H new ATOM 0 HG3 GLU A 109 -11.672 -9.876 -6.497 1.00 1.91 H new ATOM 1675 N SER A 110 -6.600 -9.559 -8.127 1.00 1.31 N ATOM 1676 CA SER A 110 -5.773 -8.917 -9.154 1.00 1.69 C ATOM 1677 C SER A 110 -6.614 -8.277 -10.266 1.00 2.21 C ATOM 1678 O SER A 110 -6.461 -7.084 -10.538 1.00 2.77 O ATOM 1679 CB SER A 110 -4.739 -9.913 -9.719 1.00 1.67 C ATOM 1680 OG SER A 110 -5.366 -10.885 -10.527 1.00 1.81 O ATOM 0 H SER A 110 -6.371 -9.265 -7.177 1.00 1.31 H new ATOM 0 HA SER A 110 -5.232 -8.101 -8.675 1.00 1.69 H new ATOM 0 HB2 SER A 110 -3.992 -9.376 -10.303 1.00 1.67 H new ATOM 0 HB3 SER A 110 -4.212 -10.401 -8.899 1.00 1.67 H new ATOM 0 HG SER A 110 -6.336 -10.745 -10.514 1.00 1.81 H new TER 1686 SER A 110 HETATM 1687 CA CA A 111 -13.494 0.209 2.025 1.00 0.51 CA HETATM 1688 CA CA A 112 -6.387 8.230 7.264 1.00 0.69 CA