USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 583 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 Single : A 3 THR OG1 : rot 180:sc= -0.0671 USER MOD Single : A 4 GLN : amide:sc= 1.18 K(o=1.2,f=-0.064) USER MOD Single : A 16 ASN : amide:sc= 1.25 K(o=1.2,f=-0.089) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 177:sc= 2.37 (180deg=2.31) USER MOD Single : A 31 SER OG : rot -147:sc= -2.02! USER MOD Single : A 33 THR OG1 : rot -37:sc= 0.778 USER MOD Single : A 40 SER OG : rot 180:sc= -0.0639 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -137:sc= -0.0572 (180deg=-1.16) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.099 USER MOD Single : A 73 THR OG1 : rot 25:sc= -0.13 USER MOD Single : A 74 LYS NZ :NH3+ -169:sc= 1.26 (180deg=1.14) USER MOD Single : A 75 TYR OH : rot -7:sc= 0.205 USER MOD ----------------------------------------------------------------- ATOM 13 N ALA A 2 10.729 10.420 -2.042 1.00 1.12 N ATOM 14 CA ALA A 2 9.394 10.963 -1.952 1.00 0.91 C ATOM 15 C ALA A 2 9.125 11.285 -0.492 1.00 0.87 C ATOM 16 O ALA A 2 10.068 11.525 0.267 1.00 1.07 O ATOM 17 CB ALA A 2 8.401 9.928 -2.466 1.00 0.92 C ATOM 0 HA ALA A 2 9.291 11.866 -2.553 1.00 0.91 H new ATOM 0 HB1 ALA A 2 7.390 10.330 -2.401 1.00 0.92 H new ATOM 0 HB2 ALA A 2 8.630 9.688 -3.504 1.00 0.92 H new ATOM 0 HB3 ALA A 2 8.471 9.024 -1.861 1.00 0.92 H new ATOM 23 N THR A 3 7.880 11.343 -0.100 1.00 0.76 N ATOM 24 CA THR A 3 7.519 11.530 1.282 1.00 0.76 C ATOM 25 C THR A 3 6.224 10.722 1.552 1.00 0.56 C ATOM 26 O THR A 3 5.634 10.200 0.598 1.00 0.48 O ATOM 27 CB THR A 3 7.395 13.057 1.638 1.00 0.97 C ATOM 28 OG1 THR A 3 8.596 13.722 1.211 1.00 1.45 O ATOM 29 CG2 THR A 3 7.243 13.295 3.139 1.00 1.57 C ATOM 0 H THR A 3 7.084 11.262 -0.732 1.00 0.76 H new ATOM 0 HA THR A 3 8.301 11.153 1.941 1.00 0.76 H new ATOM 0 HB THR A 3 6.507 13.441 1.137 1.00 0.97 H new ATOM 0 HG1 THR A 3 8.535 14.677 1.424 1.00 1.45 H new ATOM 0 HG21 THR A 3 7.161 14.365 3.331 1.00 1.57 H new ATOM 0 HG22 THR A 3 6.345 12.792 3.498 1.00 1.57 H new ATOM 0 HG23 THR A 3 8.114 12.898 3.660 1.00 1.57 H new ATOM 37 N GLN A 4 5.817 10.604 2.816 1.00 0.58 N ATOM 38 CA GLN A 4 4.646 9.819 3.245 1.00 0.52 C ATOM 39 C GLN A 4 3.374 10.059 2.415 1.00 0.49 C ATOM 40 O GLN A 4 2.803 9.106 1.887 1.00 0.51 O ATOM 41 CB GLN A 4 4.369 10.043 4.736 1.00 0.65 C ATOM 42 CG GLN A 4 4.245 11.508 5.139 1.00 1.14 C ATOM 43 CD GLN A 4 3.898 11.676 6.587 1.00 1.21 C ATOM 44 OE1 GLN A 4 4.779 11.735 7.435 1.00 1.64 O ATOM 45 NE2 GLN A 4 2.641 11.809 6.878 1.00 1.76 N ATOM 0 H GLN A 4 6.299 11.059 3.591 1.00 0.58 H new ATOM 0 HA GLN A 4 4.912 8.777 3.068 1.00 0.52 H new ATOM 0 HB2 GLN A 4 3.448 9.526 5.004 1.00 0.65 H new ATOM 0 HB3 GLN A 4 5.171 9.586 5.315 1.00 0.65 H new ATOM 0 HG2 GLN A 4 5.185 12.020 4.932 1.00 1.14 H new ATOM 0 HG3 GLN A 4 3.480 11.987 4.527 1.00 1.14 H new ATOM 0 HE21 GLN A 4 1.938 11.753 6.141 1.00 1.76 H new ATOM 0 HE22 GLN A 4 2.355 11.969 7.844 1.00 1.76 H new ATOM 54 N GLU A 5 2.976 11.315 2.259 1.00 0.53 N ATOM 55 CA GLU A 5 1.739 11.657 1.565 1.00 0.58 C ATOM 56 C GLU A 5 1.821 11.228 0.104 1.00 0.53 C ATOM 57 O GLU A 5 0.900 10.628 -0.416 1.00 0.60 O ATOM 58 CB GLU A 5 1.463 13.158 1.670 1.00 0.72 C ATOM 59 CG GLU A 5 1.466 13.704 3.098 1.00 1.48 C ATOM 60 CD GLU A 5 0.445 13.053 3.999 1.00 2.18 C ATOM 61 OE1 GLU A 5 -0.769 13.271 3.794 1.00 2.49 O ATOM 62 OE2 GLU A 5 0.826 12.324 4.918 1.00 3.05 O ATOM 0 H GLU A 5 3.496 12.121 2.607 1.00 0.53 H new ATOM 0 HA GLU A 5 0.914 11.125 2.038 1.00 0.58 H new ATOM 0 HB2 GLU A 5 2.212 13.694 1.088 1.00 0.72 H new ATOM 0 HB3 GLU A 5 0.495 13.369 1.216 1.00 0.72 H new ATOM 0 HG2 GLU A 5 2.458 13.566 3.528 1.00 1.48 H new ATOM 0 HG3 GLU A 5 1.279 14.777 3.067 1.00 1.48 H new ATOM 69 N GLU A 6 2.955 11.509 -0.520 1.00 0.50 N ATOM 70 CA GLU A 6 3.240 11.115 -1.904 1.00 0.50 C ATOM 71 C GLU A 6 3.177 9.603 -2.086 1.00 0.42 C ATOM 72 O GLU A 6 2.702 9.108 -3.115 1.00 0.43 O ATOM 73 CB GLU A 6 4.609 11.637 -2.321 1.00 0.59 C ATOM 74 CG GLU A 6 4.640 13.126 -2.592 1.00 1.06 C ATOM 75 CD GLU A 6 3.958 13.473 -3.893 1.00 1.75 C ATOM 76 OE1 GLU A 6 2.701 13.587 -3.904 1.00 2.53 O ATOM 77 OE2 GLU A 6 4.638 13.655 -4.920 1.00 2.16 O ATOM 0 H GLU A 6 3.717 12.024 -0.079 1.00 0.50 H new ATOM 0 HA GLU A 6 2.473 11.556 -2.541 1.00 0.50 H new ATOM 0 HB2 GLU A 6 5.330 11.405 -1.537 1.00 0.59 H new ATOM 0 HB3 GLU A 6 4.932 11.107 -3.217 1.00 0.59 H new ATOM 0 HG2 GLU A 6 4.152 13.655 -1.773 1.00 1.06 H new ATOM 0 HG3 GLU A 6 5.674 13.469 -2.621 1.00 1.06 H new ATOM 84 N ILE A 7 3.654 8.872 -1.100 1.00 0.36 N ATOM 85 CA ILE A 7 3.596 7.427 -1.143 1.00 0.33 C ATOM 86 C ILE A 7 2.128 6.975 -1.029 1.00 0.30 C ATOM 87 O ILE A 7 1.648 6.202 -1.850 1.00 0.30 O ATOM 88 CB ILE A 7 4.469 6.785 -0.021 1.00 0.36 C ATOM 89 CG1 ILE A 7 5.981 7.115 -0.217 1.00 0.40 C ATOM 90 CG2 ILE A 7 4.248 5.280 0.054 1.00 0.40 C ATOM 91 CD1 ILE A 7 6.601 6.611 -1.529 1.00 0.45 C ATOM 0 H ILE A 7 4.086 9.255 -0.259 1.00 0.36 H new ATOM 0 HA ILE A 7 4.005 7.087 -2.095 1.00 0.33 H new ATOM 0 HB ILE A 7 4.154 7.220 0.927 1.00 0.36 H new ATOM 0 HG12 ILE A 7 6.109 8.196 -0.166 1.00 0.40 H new ATOM 0 HG13 ILE A 7 6.539 6.689 0.616 1.00 0.40 H new ATOM 0 HG21 ILE A 7 4.870 4.860 0.845 1.00 0.40 H new ATOM 0 HG22 ILE A 7 3.199 5.077 0.270 1.00 0.40 H new ATOM 0 HG23 ILE A 7 4.517 4.825 -0.899 1.00 0.40 H new ATOM 0 HD11 ILE A 7 7.653 6.892 -1.566 1.00 0.45 H new ATOM 0 HD12 ILE A 7 6.514 5.526 -1.579 1.00 0.45 H new ATOM 0 HD13 ILE A 7 6.076 7.057 -2.374 1.00 0.45 H new ATOM 103 N VAL A 8 1.421 7.496 -0.036 1.00 0.31 N ATOM 104 CA VAL A 8 -0.002 7.175 0.169 1.00 0.35 C ATOM 105 C VAL A 8 -0.841 7.565 -1.077 1.00 0.34 C ATOM 106 O VAL A 8 -1.750 6.832 -1.495 1.00 0.36 O ATOM 107 CB VAL A 8 -0.563 7.877 1.442 1.00 0.45 C ATOM 108 CG1 VAL A 8 -2.034 7.572 1.635 1.00 0.57 C ATOM 109 CG2 VAL A 8 0.207 7.441 2.674 1.00 0.49 C ATOM 0 H VAL A 8 1.804 8.148 0.649 1.00 0.31 H new ATOM 0 HA VAL A 8 -0.079 6.098 0.316 1.00 0.35 H new ATOM 0 HB VAL A 8 -0.445 8.951 1.302 1.00 0.45 H new ATOM 0 HG11 VAL A 8 -2.396 8.076 2.531 1.00 0.57 H new ATOM 0 HG12 VAL A 8 -2.595 7.924 0.769 1.00 0.57 H new ATOM 0 HG13 VAL A 8 -2.171 6.496 1.744 1.00 0.57 H new ATOM 0 HG21 VAL A 8 -0.199 7.942 3.553 1.00 0.49 H new ATOM 0 HG22 VAL A 8 0.116 6.362 2.797 1.00 0.49 H new ATOM 0 HG23 VAL A 8 1.258 7.706 2.559 1.00 0.49 H new ATOM 119 N ALA A 9 -0.508 8.698 -1.673 1.00 0.37 N ATOM 120 CA ALA A 9 -1.164 9.183 -2.887 1.00 0.41 C ATOM 121 C ALA A 9 -0.857 8.278 -4.077 1.00 0.37 C ATOM 122 O ALA A 9 -1.609 8.231 -5.045 1.00 0.43 O ATOM 123 CB ALA A 9 -0.728 10.599 -3.184 1.00 0.48 C ATOM 0 H ALA A 9 0.229 9.314 -1.330 1.00 0.37 H new ATOM 0 HA ALA A 9 -2.241 9.169 -2.719 1.00 0.41 H new ATOM 0 HB1 ALA A 9 -1.223 10.950 -4.090 1.00 0.48 H new ATOM 0 HB2 ALA A 9 -0.999 11.246 -2.349 1.00 0.48 H new ATOM 0 HB3 ALA A 9 0.352 10.625 -3.327 1.00 0.48 H new ATOM 129 N GLY A 10 0.266 7.591 -4.014 1.00 0.33 N ATOM 130 CA GLY A 10 0.594 6.632 -5.034 1.00 0.34 C ATOM 131 C GLY A 10 -0.203 5.365 -4.813 1.00 0.31 C ATOM 132 O GLY A 10 -0.782 4.822 -5.738 1.00 0.37 O ATOM 0 H GLY A 10 0.958 7.682 -3.271 1.00 0.33 H new ATOM 0 HA2 GLY A 10 0.375 7.044 -6.019 1.00 0.34 H new ATOM 0 HA3 GLY A 10 1.661 6.411 -5.011 1.00 0.34 H new ATOM 136 N LEU A 11 -0.252 4.930 -3.551 1.00 0.26 N ATOM 137 CA LEU A 11 -0.974 3.718 -3.132 1.00 0.25 C ATOM 138 C LEU A 11 -2.429 3.776 -3.552 1.00 0.23 C ATOM 139 O LEU A 11 -2.964 2.823 -4.132 1.00 0.24 O ATOM 140 CB LEU A 11 -0.910 3.551 -1.602 1.00 0.28 C ATOM 141 CG LEU A 11 0.474 3.349 -0.980 1.00 0.30 C ATOM 142 CD1 LEU A 11 0.374 3.354 0.540 1.00 0.33 C ATOM 143 CD2 LEU A 11 1.088 2.041 -1.453 1.00 0.32 C ATOM 0 H LEU A 11 0.212 5.412 -2.781 1.00 0.26 H new ATOM 0 HA LEU A 11 -0.492 2.870 -3.618 1.00 0.25 H new ATOM 0 HB2 LEU A 11 -1.360 4.433 -1.146 1.00 0.28 H new ATOM 0 HB3 LEU A 11 -1.532 2.698 -1.328 1.00 0.28 H new ATOM 0 HG LEU A 11 1.116 4.171 -1.298 1.00 0.30 H new ATOM 0 HD11 LEU A 11 1.365 3.209 0.970 1.00 0.33 H new ATOM 0 HD12 LEU A 11 -0.031 4.309 0.875 1.00 0.33 H new ATOM 0 HD13 LEU A 11 -0.283 2.547 0.864 1.00 0.33 H new ATOM 0 HD21 LEU A 11 2.071 1.916 -1.000 1.00 0.32 H new ATOM 0 HD22 LEU A 11 0.445 1.211 -1.161 1.00 0.32 H new ATOM 0 HD23 LEU A 11 1.188 2.058 -2.538 1.00 0.32 H new ATOM 155 N ALA A 12 -3.054 4.909 -3.289 1.00 0.23 N ATOM 156 CA ALA A 12 -4.458 5.097 -3.580 1.00 0.23 C ATOM 157 C ALA A 12 -4.760 5.049 -5.064 1.00 0.21 C ATOM 158 O ALA A 12 -5.864 4.717 -5.443 1.00 0.24 O ATOM 159 CB ALA A 12 -4.979 6.364 -2.965 1.00 0.28 C ATOM 0 H ALA A 12 -2.602 5.721 -2.869 1.00 0.23 H new ATOM 0 HA ALA A 12 -4.982 4.256 -3.125 1.00 0.23 H new ATOM 0 HB1 ALA A 12 -6.037 6.475 -3.203 1.00 0.28 H new ATOM 0 HB2 ALA A 12 -4.852 6.322 -1.883 1.00 0.28 H new ATOM 0 HB3 ALA A 12 -4.426 7.215 -3.362 1.00 0.28 H new ATOM 165 N GLU A 13 -3.779 5.359 -5.899 1.00 0.24 N ATOM 166 CA GLU A 13 -3.955 5.257 -7.341 1.00 0.29 C ATOM 167 C GLU A 13 -4.248 3.831 -7.739 1.00 0.28 C ATOM 168 O GLU A 13 -5.244 3.561 -8.445 1.00 0.37 O ATOM 169 CB GLU A 13 -2.744 5.800 -8.092 1.00 0.42 C ATOM 170 CG GLU A 13 -2.740 7.305 -8.244 1.00 0.94 C ATOM 171 CD GLU A 13 -3.829 7.764 -9.185 1.00 1.53 C ATOM 172 OE1 GLU A 13 -3.607 7.748 -10.422 1.00 1.55 O ATOM 173 OE2 GLU A 13 -4.920 8.118 -8.735 1.00 2.48 O ATOM 0 H GLU A 13 -2.857 5.682 -5.605 1.00 0.24 H new ATOM 0 HA GLU A 13 -4.811 5.873 -7.619 1.00 0.29 H new ATOM 0 HB2 GLU A 13 -1.838 5.495 -7.568 1.00 0.42 H new ATOM 0 HB3 GLU A 13 -2.709 5.345 -9.082 1.00 0.42 H new ATOM 0 HG2 GLU A 13 -2.879 7.772 -7.269 1.00 0.94 H new ATOM 0 HG3 GLU A 13 -1.770 7.632 -8.619 1.00 0.94 H new ATOM 180 N ILE A 14 -3.446 2.912 -7.239 1.00 0.24 N ATOM 181 CA ILE A 14 -3.646 1.525 -7.552 1.00 0.28 C ATOM 182 C ILE A 14 -4.873 1.012 -6.789 1.00 0.25 C ATOM 183 O ILE A 14 -5.690 0.280 -7.330 1.00 0.32 O ATOM 184 CB ILE A 14 -2.407 0.594 -7.266 1.00 0.35 C ATOM 185 CG1 ILE A 14 -1.117 1.043 -7.995 1.00 0.43 C ATOM 186 CG2 ILE A 14 -2.730 -0.813 -7.711 1.00 0.42 C ATOM 187 CD1 ILE A 14 -0.402 2.233 -7.401 1.00 0.44 C ATOM 0 H ILE A 14 -2.658 3.105 -6.620 1.00 0.24 H new ATOM 0 HA ILE A 14 -3.797 1.476 -8.630 1.00 0.28 H new ATOM 0 HB ILE A 14 -2.218 0.651 -6.194 1.00 0.35 H new ATOM 0 HG12 ILE A 14 -0.424 0.202 -8.017 1.00 0.43 H new ATOM 0 HG13 ILE A 14 -1.370 1.275 -9.030 1.00 0.43 H new ATOM 0 HG21 ILE A 14 -1.876 -1.462 -7.515 1.00 0.42 H new ATOM 0 HG22 ILE A 14 -3.597 -1.179 -7.161 1.00 0.42 H new ATOM 0 HG23 ILE A 14 -2.950 -0.815 -8.778 1.00 0.42 H new ATOM 0 HD11 ILE A 14 0.486 2.457 -7.993 1.00 0.44 H new ATOM 0 HD12 ILE A 14 -1.068 3.096 -7.404 1.00 0.44 H new ATOM 0 HD13 ILE A 14 -0.107 2.006 -6.376 1.00 0.44 H new ATOM 199 N VAL A 15 -5.035 1.433 -5.546 1.00 0.22 N ATOM 200 CA VAL A 15 -6.185 0.998 -4.779 1.00 0.22 C ATOM 201 C VAL A 15 -7.516 1.506 -5.394 1.00 0.22 C ATOM 202 O VAL A 15 -8.548 0.837 -5.316 1.00 0.25 O ATOM 203 CB VAL A 15 -6.083 1.302 -3.250 1.00 0.26 C ATOM 204 CG1 VAL A 15 -7.308 0.820 -2.530 1.00 0.30 C ATOM 205 CG2 VAL A 15 -4.895 0.605 -2.640 1.00 0.34 C ATOM 0 H VAL A 15 -4.399 2.062 -5.056 1.00 0.22 H new ATOM 0 HA VAL A 15 -6.186 -0.090 -4.849 1.00 0.22 H new ATOM 0 HB VAL A 15 -5.980 2.382 -3.146 1.00 0.26 H new ATOM 0 HG11 VAL A 15 -7.216 1.042 -1.467 1.00 0.30 H new ATOM 0 HG12 VAL A 15 -8.188 1.324 -2.931 1.00 0.30 H new ATOM 0 HG13 VAL A 15 -7.412 -0.256 -2.669 1.00 0.30 H new ATOM 0 HG21 VAL A 15 -4.847 0.833 -1.575 1.00 0.34 H new ATOM 0 HG22 VAL A 15 -4.995 -0.472 -2.776 1.00 0.34 H new ATOM 0 HG23 VAL A 15 -3.982 0.949 -3.126 1.00 0.34 H new ATOM 215 N ASN A 16 -7.480 2.644 -6.059 1.00 0.24 N ATOM 216 CA ASN A 16 -8.662 3.154 -6.747 1.00 0.30 C ATOM 217 C ASN A 16 -8.990 2.294 -7.953 1.00 0.34 C ATOM 218 O ASN A 16 -10.149 1.953 -8.170 1.00 0.43 O ATOM 219 CB ASN A 16 -8.517 4.629 -7.170 1.00 0.37 C ATOM 220 CG ASN A 16 -9.724 5.128 -7.970 1.00 0.50 C ATOM 221 OD1 ASN A 16 -9.755 5.026 -9.196 1.00 0.95 O ATOM 222 ND2 ASN A 16 -10.718 5.653 -7.298 1.00 0.48 N ATOM 0 H ASN A 16 -6.652 3.234 -6.141 1.00 0.24 H new ATOM 0 HA ASN A 16 -9.484 3.105 -6.032 1.00 0.30 H new ATOM 0 HB2 ASN A 16 -8.392 5.248 -6.282 1.00 0.37 H new ATOM 0 HB3 ASN A 16 -7.614 4.745 -7.769 1.00 0.37 H new ATOM 0 HD21 ASN A 16 -11.545 5.990 -7.791 1.00 0.48 H new ATOM 0 HD22 ASN A 16 -10.665 5.725 -6.282 1.00 0.48 H new ATOM 229 N GLU A 17 -7.974 1.893 -8.700 1.00 0.37 N ATOM 230 CA GLU A 17 -8.214 1.086 -9.890 1.00 0.48 C ATOM 231 C GLU A 17 -8.577 -0.359 -9.529 1.00 0.47 C ATOM 232 O GLU A 17 -9.197 -1.058 -10.315 1.00 0.60 O ATOM 233 CB GLU A 17 -7.034 1.117 -10.882 1.00 0.63 C ATOM 234 CG GLU A 17 -5.752 0.503 -10.365 1.00 1.05 C ATOM 235 CD GLU A 17 -4.684 0.389 -11.413 1.00 1.51 C ATOM 236 OE1 GLU A 17 -4.659 -0.601 -12.156 1.00 2.11 O ATOM 237 OE2 GLU A 17 -3.861 1.318 -11.538 1.00 1.70 O ATOM 0 H GLU A 17 -6.994 2.106 -8.511 1.00 0.37 H new ATOM 0 HA GLU A 17 -9.068 1.540 -10.393 1.00 0.48 H new ATOM 0 HB2 GLU A 17 -7.329 0.594 -11.792 1.00 0.63 H new ATOM 0 HB3 GLU A 17 -6.838 2.153 -11.159 1.00 0.63 H new ATOM 0 HG2 GLU A 17 -5.377 1.105 -9.538 1.00 1.05 H new ATOM 0 HG3 GLU A 17 -5.967 -0.488 -9.966 1.00 1.05 H new ATOM 244 N ILE A 18 -8.171 -0.808 -8.356 1.00 0.39 N ATOM 245 CA ILE A 18 -8.471 -2.174 -7.930 1.00 0.43 C ATOM 246 C ILE A 18 -9.780 -2.231 -7.121 1.00 0.44 C ATOM 247 O ILE A 18 -10.712 -2.945 -7.484 1.00 0.53 O ATOM 248 CB ILE A 18 -7.311 -2.724 -7.029 1.00 0.44 C ATOM 249 CG1 ILE A 18 -5.970 -2.781 -7.789 1.00 0.52 C ATOM 250 CG2 ILE A 18 -7.655 -4.095 -6.439 1.00 0.50 C ATOM 251 CD1 ILE A 18 -5.960 -3.694 -8.990 1.00 0.71 C ATOM 0 H ILE A 18 -7.638 -0.258 -7.683 1.00 0.39 H new ATOM 0 HA ILE A 18 -8.576 -2.782 -8.829 1.00 0.43 H new ATOM 0 HB ILE A 18 -7.196 -2.021 -6.204 1.00 0.44 H new ATOM 0 HG12 ILE A 18 -5.710 -1.774 -8.114 1.00 0.52 H new ATOM 0 HG13 ILE A 18 -5.191 -3.104 -7.098 1.00 0.52 H new ATOM 0 HG21 ILE A 18 -6.827 -4.443 -5.821 1.00 0.50 H new ATOM 0 HG22 ILE A 18 -8.554 -4.013 -5.829 1.00 0.50 H new ATOM 0 HG23 ILE A 18 -7.828 -4.806 -7.247 1.00 0.50 H new ATOM 0 HD11 ILE A 18 -4.976 -3.668 -9.459 1.00 0.71 H new ATOM 0 HD12 ILE A 18 -6.185 -4.713 -8.674 1.00 0.71 H new ATOM 0 HD13 ILE A 18 -6.712 -3.362 -9.706 1.00 0.71 H new ATOM 263 N ALA A 19 -9.864 -1.433 -6.076 1.00 0.40 N ATOM 264 CA ALA A 19 -10.970 -1.527 -5.129 1.00 0.46 C ATOM 265 C ALA A 19 -12.024 -0.443 -5.325 1.00 0.45 C ATOM 266 O ALA A 19 -13.185 -0.634 -4.972 1.00 0.68 O ATOM 267 CB ALA A 19 -10.431 -1.499 -3.711 1.00 0.52 C ATOM 0 H ALA A 19 -9.181 -0.709 -5.856 1.00 0.40 H new ATOM 0 HA ALA A 19 -11.474 -2.475 -5.316 1.00 0.46 H new ATOM 0 HB1 ALA A 19 -11.259 -1.569 -3.006 1.00 0.52 H new ATOM 0 HB2 ALA A 19 -9.755 -2.341 -3.562 1.00 0.52 H new ATOM 0 HB3 ALA A 19 -9.891 -0.567 -3.545 1.00 0.52 H new ATOM 273 N GLY A 20 -11.622 0.688 -5.859 1.00 0.44 N ATOM 274 CA GLY A 20 -12.571 1.764 -6.103 1.00 0.46 C ATOM 275 C GLY A 20 -12.763 2.666 -4.906 1.00 0.52 C ATOM 276 O GLY A 20 -13.883 3.023 -4.562 1.00 0.93 O ATOM 0 H GLY A 20 -10.660 0.891 -6.131 1.00 0.44 H new ATOM 0 HA2 GLY A 20 -12.227 2.360 -6.948 1.00 0.46 H new ATOM 0 HA3 GLY A 20 -13.533 1.336 -6.386 1.00 0.46 H new ATOM 280 N ILE A 21 -11.679 3.031 -4.271 1.00 0.38 N ATOM 281 CA ILE A 21 -11.739 3.909 -3.113 1.00 0.39 C ATOM 282 C ILE A 21 -11.667 5.376 -3.516 1.00 0.43 C ATOM 283 O ILE A 21 -11.154 5.700 -4.595 1.00 0.50 O ATOM 284 CB ILE A 21 -10.615 3.582 -2.066 1.00 0.39 C ATOM 285 CG1 ILE A 21 -9.202 3.478 -2.703 1.00 0.41 C ATOM 286 CG2 ILE A 21 -10.944 2.318 -1.288 1.00 0.60 C ATOM 287 CD1 ILE A 21 -8.548 4.772 -3.157 1.00 0.43 C ATOM 0 H ILE A 21 -10.738 2.737 -4.531 1.00 0.38 H new ATOM 0 HA ILE A 21 -12.704 3.727 -2.640 1.00 0.39 H new ATOM 0 HB ILE A 21 -10.588 4.425 -1.376 1.00 0.39 H new ATOM 0 HG12 ILE A 21 -8.540 3.000 -1.981 1.00 0.41 H new ATOM 0 HG13 ILE A 21 -9.268 2.813 -3.564 1.00 0.41 H new ATOM 0 HG21 ILE A 21 -10.149 2.115 -0.570 1.00 0.60 H new ATOM 0 HG22 ILE A 21 -11.887 2.452 -0.757 1.00 0.60 H new ATOM 0 HG23 ILE A 21 -11.033 1.479 -1.978 1.00 0.60 H new ATOM 0 HD11 ILE A 21 -7.568 4.555 -3.582 1.00 0.43 H new ATOM 0 HD12 ILE A 21 -9.173 5.250 -3.912 1.00 0.43 H new ATOM 0 HD13 ILE A 21 -8.434 5.441 -2.304 1.00 0.43 H new ATOM 299 N PRO A 22 -12.185 6.272 -2.684 1.00 0.52 N ATOM 300 CA PRO A 22 -12.029 7.692 -2.882 1.00 0.60 C ATOM 301 C PRO A 22 -10.635 8.107 -2.418 1.00 0.55 C ATOM 302 O PRO A 22 -10.160 7.673 -1.349 1.00 0.52 O ATOM 303 CB PRO A 22 -13.101 8.319 -1.976 1.00 0.74 C ATOM 304 CG PRO A 22 -13.885 7.174 -1.423 1.00 0.75 C ATOM 305 CD PRO A 22 -12.993 5.982 -1.498 1.00 0.63 C ATOM 0 HA PRO A 22 -12.138 8.000 -3.922 1.00 0.60 H new ATOM 0 HB2 PRO A 22 -12.645 8.903 -1.177 1.00 0.74 H new ATOM 0 HB3 PRO A 22 -13.742 8.996 -2.540 1.00 0.74 H new ATOM 0 HG2 PRO A 22 -14.187 7.370 -0.394 1.00 0.75 H new ATOM 0 HG3 PRO A 22 -14.797 7.014 -1.997 1.00 0.75 H new ATOM 0 HD2 PRO A 22 -12.379 5.876 -0.603 1.00 0.63 H new ATOM 0 HD3 PRO A 22 -13.559 5.057 -1.607 1.00 0.63 H new ATOM 313 N VAL A 23 -9.992 8.962 -3.156 1.00 0.62 N ATOM 314 CA VAL A 23 -8.610 9.325 -2.857 1.00 0.65 C ATOM 315 C VAL A 23 -8.494 10.455 -1.840 1.00 0.73 C ATOM 316 O VAL A 23 -7.472 11.139 -1.737 1.00 1.02 O ATOM 317 CB VAL A 23 -7.790 9.603 -4.128 1.00 0.78 C ATOM 318 CG1 VAL A 23 -7.762 8.344 -4.972 1.00 1.48 C ATOM 319 CG2 VAL A 23 -8.371 10.770 -4.922 1.00 1.35 C ATOM 0 H VAL A 23 -10.388 9.429 -3.972 1.00 0.62 H new ATOM 0 HA VAL A 23 -8.170 8.448 -2.382 1.00 0.65 H new ATOM 0 HB VAL A 23 -6.775 9.883 -3.844 1.00 0.78 H new ATOM 0 HG11 VAL A 23 -7.183 8.526 -5.878 1.00 1.48 H new ATOM 0 HG12 VAL A 23 -7.302 7.535 -4.404 1.00 1.48 H new ATOM 0 HG13 VAL A 23 -8.780 8.064 -5.242 1.00 1.48 H new ATOM 0 HG21 VAL A 23 -7.768 10.940 -5.814 1.00 1.35 H new ATOM 0 HG22 VAL A 23 -9.395 10.537 -5.215 1.00 1.35 H new ATOM 0 HG23 VAL A 23 -8.366 11.668 -4.305 1.00 1.35 H new ATOM 329 N GLU A 24 -9.524 10.586 -1.054 1.00 0.66 N ATOM 330 CA GLU A 24 -9.569 11.517 0.047 1.00 0.76 C ATOM 331 C GLU A 24 -9.554 10.699 1.319 1.00 0.69 C ATOM 332 O GLU A 24 -9.271 11.193 2.403 1.00 0.80 O ATOM 333 CB GLU A 24 -10.892 12.259 0.034 1.00 0.99 C ATOM 334 CG GLU A 24 -11.287 12.871 -1.285 1.00 1.22 C ATOM 335 CD GLU A 24 -12.671 13.427 -1.203 1.00 1.54 C ATOM 336 OE1 GLU A 24 -13.620 12.640 -1.026 1.00 1.89 O ATOM 337 OE2 GLU A 24 -12.841 14.653 -1.244 1.00 2.03 O ATOM 0 H GLU A 24 -10.378 10.038 -1.160 1.00 0.66 H new ATOM 0 HA GLU A 24 -8.736 12.216 -0.022 1.00 0.76 H new ATOM 0 HB2 GLU A 24 -11.677 11.569 0.343 1.00 0.99 H new ATOM 0 HB3 GLU A 24 -10.851 13.050 0.783 1.00 0.99 H new ATOM 0 HG2 GLU A 24 -10.585 13.661 -1.552 1.00 1.22 H new ATOM 0 HG3 GLU A 24 -11.235 12.119 -2.073 1.00 1.22 H new ATOM 344 N ASP A 25 -9.859 9.425 1.159 1.00 0.60 N ATOM 345 CA ASP A 25 -10.077 8.549 2.282 1.00 0.64 C ATOM 346 C ASP A 25 -8.775 7.944 2.740 1.00 0.55 C ATOM 347 O ASP A 25 -8.452 7.960 3.921 1.00 0.58 O ATOM 348 CB ASP A 25 -11.041 7.440 1.880 1.00 0.72 C ATOM 349 CG ASP A 25 -11.769 6.862 3.071 1.00 0.90 C ATOM 350 OD1 ASP A 25 -12.782 7.420 3.505 1.00 1.07 O ATOM 351 OD2 ASP A 25 -11.323 5.821 3.595 1.00 0.98 O ATOM 0 H ASP A 25 -9.961 8.975 0.249 1.00 0.60 H new ATOM 0 HA ASP A 25 -10.501 9.128 3.102 1.00 0.64 H new ATOM 0 HB2 ASP A 25 -11.767 7.831 1.167 1.00 0.72 H new ATOM 0 HB3 ASP A 25 -10.491 6.648 1.372 1.00 0.72 H new ATOM 356 N VAL A 26 -8.018 7.437 1.784 1.00 0.51 N ATOM 357 CA VAL A 26 -6.758 6.759 2.047 1.00 0.47 C ATOM 358 C VAL A 26 -5.700 7.744 2.556 1.00 0.47 C ATOM 359 O VAL A 26 -5.076 8.475 1.781 1.00 0.51 O ATOM 360 CB VAL A 26 -6.245 6.030 0.775 1.00 0.51 C ATOM 361 CG1 VAL A 26 -4.965 5.246 1.065 1.00 0.73 C ATOM 362 CG2 VAL A 26 -7.316 5.099 0.235 1.00 0.70 C ATOM 0 H VAL A 26 -8.261 7.484 0.794 1.00 0.51 H new ATOM 0 HA VAL A 26 -6.938 6.015 2.823 1.00 0.47 H new ATOM 0 HB VAL A 26 -6.017 6.786 0.023 1.00 0.51 H new ATOM 0 HG11 VAL A 26 -4.630 4.747 0.156 1.00 0.73 H new ATOM 0 HG12 VAL A 26 -4.190 5.930 1.410 1.00 0.73 H new ATOM 0 HG13 VAL A 26 -5.161 4.502 1.837 1.00 0.73 H new ATOM 0 HG21 VAL A 26 -6.944 4.594 -0.656 1.00 0.70 H new ATOM 0 HG22 VAL A 26 -7.569 4.357 0.993 1.00 0.70 H new ATOM 0 HG23 VAL A 26 -8.205 5.676 -0.019 1.00 0.70 H new ATOM 372 N LYS A 27 -5.617 7.837 3.850 1.00 0.49 N ATOM 373 CA LYS A 27 -4.635 8.636 4.544 1.00 0.54 C ATOM 374 C LYS A 27 -3.884 7.727 5.497 1.00 0.47 C ATOM 375 O LYS A 27 -4.222 6.564 5.566 1.00 0.51 O ATOM 376 CB LYS A 27 -5.322 9.803 5.258 1.00 0.65 C ATOM 377 CG LYS A 27 -5.827 10.855 4.281 1.00 0.83 C ATOM 378 CD LYS A 27 -6.621 11.956 4.947 1.00 1.53 C ATOM 379 CE LYS A 27 -7.959 11.456 5.457 1.00 2.02 C ATOM 380 NZ LYS A 27 -8.794 12.570 5.941 1.00 2.83 N ATOM 0 H LYS A 27 -6.251 7.344 4.479 1.00 0.49 H new ATOM 0 HA LYS A 27 -3.919 9.077 3.850 1.00 0.54 H new ATOM 0 HB2 LYS A 27 -6.158 9.425 5.847 1.00 0.65 H new ATOM 0 HB3 LYS A 27 -4.622 10.263 5.956 1.00 0.65 H new ATOM 0 HG2 LYS A 27 -4.977 11.294 3.759 1.00 0.83 H new ATOM 0 HG3 LYS A 27 -6.449 10.372 3.527 1.00 0.83 H new ATOM 0 HD2 LYS A 27 -6.046 12.368 5.777 1.00 1.53 H new ATOM 0 HD3 LYS A 27 -6.783 12.768 4.238 1.00 1.53 H new ATOM 0 HE2 LYS A 27 -8.481 10.927 4.660 1.00 2.02 H new ATOM 0 HE3 LYS A 27 -7.800 10.740 6.263 1.00 2.02 H new ATOM 0 HZ1 LYS A 27 -9.703 12.199 6.284 1.00 2.83 H new ATOM 0 HZ2 LYS A 27 -8.305 13.059 6.718 1.00 2.83 H new ATOM 0 HZ3 LYS A 27 -8.964 13.239 5.164 1.00 2.83 H new ATOM 394 N LEU A 28 -2.902 8.246 6.228 1.00 0.49 N ATOM 395 CA LEU A 28 -2.020 7.421 7.098 1.00 0.47 C ATOM 396 C LEU A 28 -2.754 6.498 8.071 1.00 0.50 C ATOM 397 O LEU A 28 -2.357 5.337 8.246 1.00 0.56 O ATOM 398 CB LEU A 28 -0.956 8.261 7.838 1.00 0.54 C ATOM 399 CG LEU A 28 0.320 8.640 7.052 1.00 0.53 C ATOM 400 CD1 LEU A 28 1.091 7.398 6.646 1.00 1.07 C ATOM 401 CD2 LEU A 28 0.002 9.473 5.833 1.00 0.99 C ATOM 0 H LEU A 28 -2.683 9.242 6.246 1.00 0.49 H new ATOM 0 HA LEU A 28 -1.510 6.764 6.393 1.00 0.47 H new ATOM 0 HB2 LEU A 28 -1.430 9.182 8.177 1.00 0.54 H new ATOM 0 HB3 LEU A 28 -0.653 7.712 8.729 1.00 0.54 H new ATOM 0 HG LEU A 28 0.940 9.242 7.717 1.00 0.53 H new ATOM 0 HD11 LEU A 28 1.985 7.689 6.094 1.00 1.07 H new ATOM 0 HD12 LEU A 28 1.380 6.841 7.538 1.00 1.07 H new ATOM 0 HD13 LEU A 28 0.463 6.770 6.014 1.00 1.07 H new ATOM 0 HD21 LEU A 28 0.926 9.718 5.309 1.00 0.99 H new ATOM 0 HD22 LEU A 28 -0.654 8.910 5.169 1.00 0.99 H new ATOM 0 HD23 LEU A 28 -0.496 10.393 6.141 1.00 0.99 H new ATOM 413 N ASP A 29 -3.813 6.965 8.688 1.00 0.56 N ATOM 414 CA ASP A 29 -4.535 6.103 9.605 1.00 0.65 C ATOM 415 C ASP A 29 -5.644 5.356 8.892 1.00 0.61 C ATOM 416 O ASP A 29 -6.828 5.680 9.009 1.00 1.03 O ATOM 417 CB ASP A 29 -5.054 6.836 10.840 1.00 0.87 C ATOM 418 CG ASP A 29 -5.637 5.884 11.861 1.00 1.73 C ATOM 419 OD1 ASP A 29 -4.888 5.078 12.458 1.00 2.34 O ATOM 420 OD2 ASP A 29 -6.877 5.883 12.044 1.00 2.47 O ATOM 0 H ASP A 29 -4.189 7.907 8.581 1.00 0.56 H new ATOM 0 HA ASP A 29 -3.814 5.373 9.974 1.00 0.65 H new ATOM 0 HB2 ASP A 29 -4.240 7.401 11.295 1.00 0.87 H new ATOM 0 HB3 ASP A 29 -5.815 7.557 10.541 1.00 0.87 H new ATOM 425 N LYS A 30 -5.222 4.459 8.046 1.00 0.43 N ATOM 426 CA LYS A 30 -6.071 3.568 7.290 1.00 0.39 C ATOM 427 C LYS A 30 -5.397 2.232 7.183 1.00 0.38 C ATOM 428 O LYS A 30 -4.185 2.149 7.274 1.00 0.57 O ATOM 429 CB LYS A 30 -6.296 4.116 5.873 1.00 0.44 C ATOM 430 CG LYS A 30 -7.132 5.360 5.838 1.00 0.51 C ATOM 431 CD LYS A 30 -8.579 5.027 6.096 1.00 0.75 C ATOM 432 CE LYS A 30 -9.434 6.260 6.247 1.00 0.98 C ATOM 433 NZ LYS A 30 -10.865 5.921 6.234 1.00 1.06 N ATOM 0 H LYS A 30 -4.230 4.319 7.852 1.00 0.43 H new ATOM 0 HA LYS A 30 -7.031 3.478 7.797 1.00 0.39 H new ATOM 0 HB2 LYS A 30 -5.329 4.325 5.415 1.00 0.44 H new ATOM 0 HB3 LYS A 30 -6.777 3.348 5.267 1.00 0.44 H new ATOM 0 HG2 LYS A 30 -6.776 6.067 6.587 1.00 0.51 H new ATOM 0 HG3 LYS A 30 -7.031 5.846 4.868 1.00 0.51 H new ATOM 0 HD2 LYS A 30 -8.962 4.421 5.275 1.00 0.75 H new ATOM 0 HD3 LYS A 30 -8.654 4.423 7.000 1.00 0.75 H new ATOM 0 HE2 LYS A 30 -9.186 6.765 7.180 1.00 0.98 H new ATOM 0 HE3 LYS A 30 -9.216 6.958 5.439 1.00 0.98 H new ATOM 0 HZ1 LYS A 30 -11.427 6.782 6.390 1.00 1.06 H new ATOM 0 HZ2 LYS A 30 -11.115 5.507 5.314 1.00 1.06 H new ATOM 0 HZ3 LYS A 30 -11.066 5.234 6.989 1.00 1.06 H new ATOM 447 N SER A 31 -6.171 1.218 7.012 1.00 0.46 N ATOM 448 CA SER A 31 -5.697 -0.110 6.779 1.00 0.44 C ATOM 449 C SER A 31 -6.539 -0.675 5.671 1.00 0.45 C ATOM 450 O SER A 31 -7.722 -0.333 5.578 1.00 0.57 O ATOM 451 CB SER A 31 -5.809 -0.912 8.052 1.00 0.49 C ATOM 452 OG SER A 31 -7.068 -0.686 8.661 1.00 1.31 O ATOM 0 H SER A 31 -7.188 1.288 7.030 1.00 0.46 H new ATOM 0 HA SER A 31 -4.647 -0.133 6.487 1.00 0.44 H new ATOM 0 HB2 SER A 31 -5.687 -1.973 7.834 1.00 0.49 H new ATOM 0 HB3 SER A 31 -5.009 -0.633 8.738 1.00 0.49 H new ATOM 0 HG SER A 31 -6.974 -0.735 9.635 1.00 1.31 H new ATOM 458 N PHE A 32 -5.981 -1.536 4.863 1.00 0.41 N ATOM 459 CA PHE A 32 -6.630 -1.928 3.623 1.00 0.46 C ATOM 460 C PHE A 32 -7.919 -2.699 3.799 1.00 0.55 C ATOM 461 O PHE A 32 -8.908 -2.372 3.172 1.00 1.03 O ATOM 462 CB PHE A 32 -5.665 -2.624 2.686 1.00 0.51 C ATOM 463 CG PHE A 32 -4.530 -1.735 2.259 1.00 0.50 C ATOM 464 CD1 PHE A 32 -4.658 -0.898 1.161 1.00 0.55 C ATOM 465 CD2 PHE A 32 -3.336 -1.734 2.954 1.00 0.52 C ATOM 466 CE1 PHE A 32 -3.612 -0.083 0.771 1.00 0.59 C ATOM 467 CE2 PHE A 32 -2.295 -0.924 2.564 1.00 0.58 C ATOM 468 CZ PHE A 32 -2.432 -0.099 1.471 1.00 0.60 C ATOM 0 H PHE A 32 -5.080 -1.983 5.033 1.00 0.41 H new ATOM 0 HA PHE A 32 -6.939 -0.994 3.154 1.00 0.46 H new ATOM 0 HB2 PHE A 32 -5.263 -3.510 3.177 1.00 0.51 H new ATOM 0 HB3 PHE A 32 -6.205 -2.967 1.803 1.00 0.51 H new ATOM 0 HD1 PHE A 32 -5.584 -0.883 0.605 1.00 0.55 H new ATOM 0 HD2 PHE A 32 -3.219 -2.377 3.814 1.00 0.52 H new ATOM 0 HE1 PHE A 32 -3.723 0.566 -0.085 1.00 0.59 H new ATOM 0 HE2 PHE A 32 -1.367 -0.935 3.117 1.00 0.58 H new ATOM 0 HZ PHE A 32 -1.613 0.534 1.165 1.00 0.60 H new ATOM 478 N THR A 33 -7.946 -3.665 4.661 1.00 0.47 N ATOM 479 CA THR A 33 -9.162 -4.427 4.796 1.00 0.50 C ATOM 480 C THR A 33 -9.728 -4.357 6.214 1.00 0.60 C ATOM 481 O THR A 33 -10.438 -5.259 6.675 1.00 1.13 O ATOM 482 CB THR A 33 -8.988 -5.892 4.286 1.00 0.65 C ATOM 483 OG1 THR A 33 -10.226 -6.643 4.357 1.00 1.37 O ATOM 484 CG2 THR A 33 -7.903 -6.620 5.057 1.00 1.21 C ATOM 0 H THR A 33 -7.174 -3.944 5.266 1.00 0.47 H new ATOM 0 HA THR A 33 -9.907 -3.963 4.150 1.00 0.50 H new ATOM 0 HB THR A 33 -8.692 -5.822 3.239 1.00 0.65 H new ATOM 0 HG1 THR A 33 -10.718 -6.388 5.165 1.00 1.37 H new ATOM 0 HG21 THR A 33 -7.807 -7.637 4.677 1.00 1.21 H new ATOM 0 HG22 THR A 33 -6.955 -6.096 4.934 1.00 1.21 H new ATOM 0 HG23 THR A 33 -8.166 -6.651 6.114 1.00 1.21 H new ATOM 492 N ASP A 34 -9.492 -3.252 6.861 1.00 0.55 N ATOM 493 CA ASP A 34 -10.049 -3.023 8.179 1.00 0.60 C ATOM 494 C ASP A 34 -10.742 -1.691 8.174 1.00 0.58 C ATOM 495 O ASP A 34 -11.951 -1.608 8.368 1.00 0.75 O ATOM 496 CB ASP A 34 -8.983 -3.076 9.278 1.00 0.72 C ATOM 497 CG ASP A 34 -9.567 -2.910 10.674 1.00 1.46 C ATOM 498 OD1 ASP A 34 -9.894 -1.766 11.062 1.00 2.31 O ATOM 499 OD2 ASP A 34 -9.740 -3.910 11.399 1.00 1.58 O ATOM 0 H ASP A 34 -8.917 -2.489 6.503 1.00 0.55 H new ATOM 0 HA ASP A 34 -10.759 -3.819 8.403 1.00 0.60 H new ATOM 0 HB2 ASP A 34 -8.455 -4.028 9.221 1.00 0.72 H new ATOM 0 HB3 ASP A 34 -8.246 -2.292 9.102 1.00 0.72 H new ATOM 504 N ASP A 35 -9.986 -0.641 7.930 1.00 0.48 N ATOM 505 CA ASP A 35 -10.582 0.681 7.832 1.00 0.50 C ATOM 506 C ASP A 35 -11.160 0.856 6.423 1.00 0.56 C ATOM 507 O ASP A 35 -12.195 1.470 6.234 1.00 0.86 O ATOM 508 CB ASP A 35 -9.551 1.787 8.122 1.00 0.47 C ATOM 509 CG ASP A 35 -10.196 3.130 8.481 1.00 0.99 C ATOM 510 OD1 ASP A 35 -10.995 3.678 7.697 1.00 1.67 O ATOM 511 OD2 ASP A 35 -9.919 3.663 9.570 1.00 1.47 O ATOM 0 H ASP A 35 -8.975 -0.671 7.797 1.00 0.48 H new ATOM 0 HA ASP A 35 -11.372 0.768 8.578 1.00 0.50 H new ATOM 0 HB2 ASP A 35 -8.907 1.469 8.942 1.00 0.47 H new ATOM 0 HB3 ASP A 35 -8.913 1.919 7.248 1.00 0.47 H new ATOM 516 N LEU A 36 -10.495 0.263 5.441 1.00 0.44 N ATOM 517 CA LEU A 36 -10.922 0.369 4.064 1.00 0.49 C ATOM 518 C LEU A 36 -11.674 -0.885 3.654 1.00 0.53 C ATOM 519 O LEU A 36 -11.743 -1.857 4.417 1.00 0.64 O ATOM 520 CB LEU A 36 -9.715 0.580 3.144 1.00 0.51 C ATOM 521 CG LEU A 36 -8.894 1.838 3.387 1.00 0.59 C ATOM 522 CD1 LEU A 36 -7.669 1.857 2.486 1.00 0.65 C ATOM 523 CD2 LEU A 36 -9.747 3.049 3.135 1.00 0.69 C ATOM 0 H LEU A 36 -9.654 -0.298 5.580 1.00 0.44 H new ATOM 0 HA LEU A 36 -11.586 1.229 3.971 1.00 0.49 H new ATOM 0 HB2 LEU A 36 -9.056 -0.283 3.241 1.00 0.51 H new ATOM 0 HB3 LEU A 36 -10.069 0.596 2.113 1.00 0.51 H new ATOM 0 HG LEU A 36 -8.554 1.847 4.423 1.00 0.59 H new ATOM 0 HD11 LEU A 36 -7.094 2.764 2.673 1.00 0.65 H new ATOM 0 HD12 LEU A 36 -7.050 0.985 2.695 1.00 0.65 H new ATOM 0 HD13 LEU A 36 -7.984 1.836 1.443 1.00 0.65 H new ATOM 0 HD21 LEU A 36 -9.159 3.950 3.309 1.00 0.69 H new ATOM 0 HD22 LEU A 36 -10.098 3.038 2.103 1.00 0.69 H new ATOM 0 HD23 LEU A 36 -10.603 3.038 3.810 1.00 0.69 H new ATOM 535 N ASP A 37 -12.189 -0.882 2.444 1.00 0.63 N ATOM 536 CA ASP A 37 -12.978 -2.002 1.917 1.00 0.76 C ATOM 537 C ASP A 37 -12.186 -2.704 0.842 1.00 0.78 C ATOM 538 O ASP A 37 -12.724 -3.432 0.013 1.00 1.33 O ATOM 539 CB ASP A 37 -14.335 -1.518 1.352 1.00 1.14 C ATOM 540 CG ASP A 37 -14.222 -0.570 0.168 1.00 1.49 C ATOM 541 OD1 ASP A 37 -14.070 0.652 0.389 1.00 2.15 O ATOM 542 OD2 ASP A 37 -14.324 -1.015 -0.996 1.00 1.96 O ATOM 0 H ASP A 37 -12.079 -0.108 1.788 1.00 0.63 H new ATOM 0 HA ASP A 37 -13.189 -2.694 2.732 1.00 0.76 H new ATOM 0 HB2 ASP A 37 -14.920 -2.387 1.051 1.00 1.14 H new ATOM 0 HB3 ASP A 37 -14.889 -1.021 2.148 1.00 1.14 H new ATOM 547 N VAL A 38 -10.900 -2.526 0.908 1.00 0.65 N ATOM 548 CA VAL A 38 -9.990 -3.081 -0.053 1.00 0.96 C ATOM 549 C VAL A 38 -9.767 -4.527 0.281 1.00 0.89 C ATOM 550 O VAL A 38 -9.135 -4.836 1.297 1.00 1.43 O ATOM 551 CB VAL A 38 -8.633 -2.358 0.008 1.00 1.60 C ATOM 552 CG1 VAL A 38 -7.707 -2.839 -1.105 1.00 2.23 C ATOM 553 CG2 VAL A 38 -8.825 -0.860 -0.048 1.00 2.14 C ATOM 0 H VAL A 38 -10.445 -1.983 1.642 1.00 0.65 H new ATOM 0 HA VAL A 38 -10.414 -2.967 -1.050 1.00 0.96 H new ATOM 0 HB VAL A 38 -8.159 -2.601 0.959 1.00 1.60 H new ATOM 0 HG11 VAL A 38 -6.755 -2.312 -1.039 1.00 2.23 H new ATOM 0 HG12 VAL A 38 -7.537 -3.910 -0.999 1.00 2.23 H new ATOM 0 HG13 VAL A 38 -8.167 -2.638 -2.073 1.00 2.23 H new ATOM 0 HG21 VAL A 38 -7.854 -0.367 -0.004 1.00 2.14 H new ATOM 0 HG22 VAL A 38 -9.326 -0.592 -0.978 1.00 2.14 H new ATOM 0 HG23 VAL A 38 -9.434 -0.539 0.797 1.00 2.14 H new ATOM 563 N ASP A 39 -10.356 -5.399 -0.510 1.00 0.82 N ATOM 564 CA ASP A 39 -10.191 -6.829 -0.335 1.00 1.15 C ATOM 565 C ASP A 39 -8.715 -7.174 -0.349 1.00 1.18 C ATOM 566 O ASP A 39 -7.993 -6.805 -1.266 1.00 2.04 O ATOM 567 CB ASP A 39 -10.943 -7.631 -1.406 1.00 1.60 C ATOM 568 CG ASP A 39 -12.453 -7.589 -1.269 1.00 2.37 C ATOM 569 OD1 ASP A 39 -13.016 -8.350 -0.443 1.00 2.78 O ATOM 570 OD2 ASP A 39 -13.108 -6.803 -1.994 1.00 2.96 O ATOM 0 H ASP A 39 -10.960 -5.139 -1.290 1.00 0.82 H new ATOM 0 HA ASP A 39 -10.621 -7.104 0.628 1.00 1.15 H new ATOM 0 HB2 ASP A 39 -10.668 -7.249 -2.389 1.00 1.60 H new ATOM 0 HB3 ASP A 39 -10.614 -8.669 -1.364 1.00 1.60 H new ATOM 575 N SER A 40 -8.292 -7.862 0.667 1.00 0.85 N ATOM 576 CA SER A 40 -6.909 -8.181 0.921 1.00 0.86 C ATOM 577 C SER A 40 -6.250 -8.950 -0.212 1.00 0.74 C ATOM 578 O SER A 40 -5.164 -8.589 -0.658 1.00 0.81 O ATOM 579 CB SER A 40 -6.850 -8.954 2.185 1.00 1.19 C ATOM 580 OG SER A 40 -7.702 -10.125 2.063 1.00 1.18 O ATOM 0 H SER A 40 -8.924 -8.235 1.376 1.00 0.85 H new ATOM 0 HA SER A 40 -6.348 -7.250 1.001 1.00 0.86 H new ATOM 0 HB2 SER A 40 -5.824 -9.255 2.395 1.00 1.19 H new ATOM 0 HB3 SER A 40 -7.178 -8.335 3.020 1.00 1.19 H new ATOM 0 HG SER A 40 -7.667 -10.643 2.894 1.00 1.18 H new ATOM 585 N LEU A 41 -6.909 -9.992 -0.700 1.00 0.71 N ATOM 586 CA LEU A 41 -6.360 -10.774 -1.801 1.00 0.70 C ATOM 587 C LEU A 41 -6.190 -9.880 -3.050 1.00 0.65 C ATOM 588 O LEU A 41 -5.317 -10.103 -3.889 1.00 0.71 O ATOM 589 CB LEU A 41 -7.216 -12.021 -2.142 1.00 0.83 C ATOM 590 CG LEU A 41 -7.151 -13.238 -1.182 1.00 1.01 C ATOM 591 CD1 LEU A 41 -7.670 -12.919 0.208 1.00 1.29 C ATOM 592 CD2 LEU A 41 -7.922 -14.406 -1.770 1.00 1.34 C ATOM 0 H LEU A 41 -7.814 -10.313 -0.356 1.00 0.71 H new ATOM 0 HA LEU A 41 -5.387 -11.143 -1.477 1.00 0.70 H new ATOM 0 HB2 LEU A 41 -8.257 -11.703 -2.207 1.00 0.83 H new ATOM 0 HB3 LEU A 41 -6.925 -12.364 -3.135 1.00 0.83 H new ATOM 0 HG LEU A 41 -6.099 -13.504 -1.076 1.00 1.01 H new ATOM 0 HD11 LEU A 41 -7.600 -13.808 0.835 1.00 1.29 H new ATOM 0 HD12 LEU A 41 -7.073 -12.119 0.645 1.00 1.29 H new ATOM 0 HD13 LEU A 41 -8.711 -12.601 0.144 1.00 1.29 H new ATOM 0 HD21 LEU A 41 -7.871 -15.256 -1.089 1.00 1.34 H new ATOM 0 HD22 LEU A 41 -8.964 -14.119 -1.914 1.00 1.34 H new ATOM 0 HD23 LEU A 41 -7.486 -14.683 -2.730 1.00 1.34 H new ATOM 604 N SER A 42 -7.007 -8.852 -3.122 1.00 0.65 N ATOM 605 CA SER A 42 -6.972 -7.887 -4.185 1.00 0.66 C ATOM 606 C SER A 42 -5.921 -6.793 -3.908 1.00 0.50 C ATOM 607 O SER A 42 -5.394 -6.189 -4.826 1.00 0.47 O ATOM 608 CB SER A 42 -8.343 -7.271 -4.328 1.00 0.84 C ATOM 609 OG SER A 42 -9.321 -8.265 -4.648 1.00 1.26 O ATOM 0 H SER A 42 -7.728 -8.665 -2.425 1.00 0.65 H new ATOM 0 HA SER A 42 -6.690 -8.387 -5.112 1.00 0.66 H new ATOM 0 HB2 SER A 42 -8.619 -6.770 -3.400 1.00 0.84 H new ATOM 0 HB3 SER A 42 -8.324 -6.510 -5.108 1.00 0.84 H new ATOM 0 HG SER A 42 -10.201 -7.842 -4.734 1.00 1.26 H new ATOM 615 N MET A 43 -5.604 -6.566 -2.642 1.00 0.45 N ATOM 616 CA MET A 43 -4.595 -5.577 -2.254 1.00 0.35 C ATOM 617 C MET A 43 -3.233 -6.112 -2.675 1.00 0.30 C ATOM 618 O MET A 43 -2.303 -5.378 -2.954 1.00 0.27 O ATOM 619 CB MET A 43 -4.648 -5.333 -0.738 1.00 0.39 C ATOM 620 CG MET A 43 -4.027 -4.018 -0.247 1.00 0.47 C ATOM 621 SD MET A 43 -2.242 -3.832 -0.474 1.00 0.97 S ATOM 622 CE MET A 43 -1.637 -5.176 0.529 1.00 0.54 C ATOM 0 H MET A 43 -6.032 -7.055 -1.856 1.00 0.45 H new ATOM 0 HA MET A 43 -4.784 -4.622 -2.744 1.00 0.35 H new ATOM 0 HB2 MET A 43 -5.691 -5.360 -0.422 1.00 0.39 H new ATOM 0 HB3 MET A 43 -4.142 -6.159 -0.239 1.00 0.39 H new ATOM 0 HG2 MET A 43 -4.523 -3.194 -0.760 1.00 0.47 H new ATOM 0 HG3 MET A 43 -4.248 -3.912 0.815 1.00 0.47 H new ATOM 0 HE1 MET A 43 -0.781 -4.838 1.113 1.00 0.54 H new ATOM 0 HE2 MET A 43 -2.426 -5.511 1.202 1.00 0.54 H new ATOM 0 HE3 MET A 43 -1.334 -6.002 -0.114 1.00 0.54 H new ATOM 632 N VAL A 44 -3.161 -7.409 -2.797 1.00 0.36 N ATOM 633 CA VAL A 44 -1.966 -8.078 -3.287 1.00 0.39 C ATOM 634 C VAL A 44 -1.703 -7.637 -4.752 1.00 0.37 C ATOM 635 O VAL A 44 -0.562 -7.577 -5.215 1.00 0.42 O ATOM 636 CB VAL A 44 -2.100 -9.627 -3.208 1.00 0.54 C ATOM 637 CG1 VAL A 44 -0.794 -10.328 -3.567 1.00 0.65 C ATOM 638 CG2 VAL A 44 -2.580 -10.057 -1.829 1.00 0.57 C ATOM 0 H VAL A 44 -3.926 -8.042 -2.562 1.00 0.36 H new ATOM 0 HA VAL A 44 -1.126 -7.792 -2.654 1.00 0.39 H new ATOM 0 HB VAL A 44 -2.845 -9.927 -3.945 1.00 0.54 H new ATOM 0 HG11 VAL A 44 -0.930 -11.407 -3.500 1.00 0.65 H new ATOM 0 HG12 VAL A 44 -0.505 -10.061 -4.584 1.00 0.65 H new ATOM 0 HG13 VAL A 44 -0.012 -10.017 -2.875 1.00 0.65 H new ATOM 0 HG21 VAL A 44 -2.667 -11.143 -1.796 1.00 0.57 H new ATOM 0 HG22 VAL A 44 -1.865 -9.727 -1.076 1.00 0.57 H new ATOM 0 HG23 VAL A 44 -3.553 -9.609 -1.626 1.00 0.57 H new ATOM 648 N GLU A 45 -2.769 -7.252 -5.438 1.00 0.37 N ATOM 649 CA GLU A 45 -2.682 -6.770 -6.807 1.00 0.38 C ATOM 650 C GLU A 45 -2.269 -5.306 -6.806 1.00 0.31 C ATOM 651 O GLU A 45 -1.792 -4.768 -7.804 1.00 0.37 O ATOM 652 CB GLU A 45 -4.015 -6.951 -7.525 1.00 0.46 C ATOM 653 CG GLU A 45 -4.504 -8.385 -7.533 1.00 0.64 C ATOM 654 CD GLU A 45 -3.499 -9.320 -8.149 1.00 1.21 C ATOM 655 OE1 GLU A 45 -3.454 -9.425 -9.388 1.00 1.31 O ATOM 656 OE2 GLU A 45 -2.730 -9.968 -7.402 1.00 2.06 O ATOM 0 H GLU A 45 -3.717 -7.265 -5.061 1.00 0.37 H new ATOM 0 HA GLU A 45 -1.931 -7.351 -7.342 1.00 0.38 H new ATOM 0 HB2 GLU A 45 -4.765 -6.322 -7.047 1.00 0.46 H new ATOM 0 HB3 GLU A 45 -3.916 -6.603 -8.553 1.00 0.46 H new ATOM 0 HG2 GLU A 45 -4.715 -8.702 -6.512 1.00 0.64 H new ATOM 0 HG3 GLU A 45 -5.442 -8.445 -8.086 1.00 0.64 H new ATOM 663 N VAL A 46 -2.450 -4.679 -5.674 1.00 0.30 N ATOM 664 CA VAL A 46 -2.039 -3.316 -5.466 1.00 0.30 C ATOM 665 C VAL A 46 -0.549 -3.307 -5.205 1.00 0.29 C ATOM 666 O VAL A 46 0.199 -2.648 -5.909 1.00 0.39 O ATOM 667 CB VAL A 46 -2.770 -2.676 -4.253 1.00 0.51 C ATOM 668 CG1 VAL A 46 -2.273 -1.255 -4.005 1.00 0.91 C ATOM 669 CG2 VAL A 46 -4.274 -2.681 -4.467 1.00 1.43 C ATOM 0 H VAL A 46 -2.893 -5.106 -4.860 1.00 0.30 H new ATOM 0 HA VAL A 46 -2.290 -2.735 -6.353 1.00 0.30 H new ATOM 0 HB VAL A 46 -2.545 -3.276 -3.371 1.00 0.51 H new ATOM 0 HG11 VAL A 46 -2.800 -0.829 -3.151 1.00 0.91 H new ATOM 0 HG12 VAL A 46 -1.203 -1.275 -3.798 1.00 0.91 H new ATOM 0 HG13 VAL A 46 -2.461 -0.645 -4.888 1.00 0.91 H new ATOM 0 HG21 VAL A 46 -4.766 -2.228 -3.606 1.00 1.43 H new ATOM 0 HG22 VAL A 46 -4.516 -2.111 -5.364 1.00 1.43 H new ATOM 0 HG23 VAL A 46 -4.621 -3.707 -4.585 1.00 1.43 H new ATOM 679 N VAL A 47 -0.125 -4.062 -4.198 1.00 0.28 N ATOM 680 CA VAL A 47 1.278 -4.106 -3.807 1.00 0.33 C ATOM 681 C VAL A 47 2.212 -4.522 -4.962 1.00 0.31 C ATOM 682 O VAL A 47 3.302 -3.985 -5.087 1.00 0.35 O ATOM 683 CB VAL A 47 1.546 -4.952 -2.516 1.00 0.41 C ATOM 684 CG1 VAL A 47 1.207 -6.420 -2.705 1.00 0.39 C ATOM 685 CG2 VAL A 47 2.983 -4.784 -2.047 1.00 0.53 C ATOM 0 H VAL A 47 -0.736 -4.654 -3.636 1.00 0.28 H new ATOM 0 HA VAL A 47 1.524 -3.075 -3.552 1.00 0.33 H new ATOM 0 HB VAL A 47 0.880 -4.570 -1.742 1.00 0.41 H new ATOM 0 HG11 VAL A 47 1.411 -6.962 -1.782 1.00 0.39 H new ATOM 0 HG12 VAL A 47 0.152 -6.520 -2.959 1.00 0.39 H new ATOM 0 HG13 VAL A 47 1.815 -6.833 -3.510 1.00 0.39 H new ATOM 0 HG21 VAL A 47 3.145 -5.381 -1.149 1.00 0.53 H new ATOM 0 HG22 VAL A 47 3.663 -5.116 -2.831 1.00 0.53 H new ATOM 0 HG23 VAL A 47 3.172 -3.734 -1.824 1.00 0.53 H new ATOM 695 N VAL A 48 1.746 -5.395 -5.858 1.00 0.29 N ATOM 696 CA VAL A 48 2.584 -5.802 -6.990 1.00 0.31 C ATOM 697 C VAL A 48 2.817 -4.605 -7.953 1.00 0.29 C ATOM 698 O VAL A 48 3.862 -4.493 -8.597 1.00 0.35 O ATOM 699 CB VAL A 48 2.020 -7.050 -7.750 1.00 0.37 C ATOM 700 CG1 VAL A 48 0.697 -6.762 -8.434 1.00 0.61 C ATOM 701 CG2 VAL A 48 3.034 -7.610 -8.736 1.00 0.65 C ATOM 0 H VAL A 48 0.821 -5.824 -5.827 1.00 0.29 H new ATOM 0 HA VAL A 48 3.546 -6.111 -6.581 1.00 0.31 H new ATOM 0 HB VAL A 48 1.830 -7.812 -6.994 1.00 0.37 H new ATOM 0 HG11 VAL A 48 0.349 -7.659 -8.946 1.00 0.61 H new ATOM 0 HG12 VAL A 48 -0.040 -6.461 -7.689 1.00 0.61 H new ATOM 0 HG13 VAL A 48 0.829 -5.959 -9.159 1.00 0.61 H new ATOM 0 HG21 VAL A 48 2.608 -8.475 -9.245 1.00 0.65 H new ATOM 0 HG22 VAL A 48 3.288 -6.846 -9.471 1.00 0.65 H new ATOM 0 HG23 VAL A 48 3.934 -7.911 -8.200 1.00 0.65 H new ATOM 711 N ALA A 49 1.868 -3.685 -7.980 1.00 0.28 N ATOM 712 CA ALA A 49 1.994 -2.482 -8.779 1.00 0.28 C ATOM 713 C ALA A 49 2.738 -1.419 -7.975 1.00 0.27 C ATOM 714 O ALA A 49 3.353 -0.516 -8.520 1.00 0.32 O ATOM 715 CB ALA A 49 0.625 -1.977 -9.201 1.00 0.32 C ATOM 0 H ALA A 49 0.997 -3.751 -7.453 1.00 0.28 H new ATOM 0 HA ALA A 49 2.560 -2.707 -9.683 1.00 0.28 H new ATOM 0 HB1 ALA A 49 0.739 -1.073 -9.800 1.00 0.32 H new ATOM 0 HB2 ALA A 49 0.121 -2.742 -9.791 1.00 0.32 H new ATOM 0 HB3 ALA A 49 0.031 -1.752 -8.315 1.00 0.32 H new ATOM 721 N ALA A 50 2.693 -1.556 -6.671 1.00 0.27 N ATOM 722 CA ALA A 50 3.364 -0.643 -5.777 1.00 0.30 C ATOM 723 C ALA A 50 4.866 -0.838 -5.845 1.00 0.29 C ATOM 724 O ALA A 50 5.615 0.130 -5.807 1.00 0.32 O ATOM 725 CB ALA A 50 2.851 -0.793 -4.351 1.00 0.36 C ATOM 0 H ALA A 50 2.188 -2.306 -6.199 1.00 0.27 H new ATOM 0 HA ALA A 50 3.141 0.374 -6.099 1.00 0.30 H new ATOM 0 HB1 ALA A 50 3.375 -0.093 -3.700 1.00 0.36 H new ATOM 0 HB2 ALA A 50 1.782 -0.582 -4.325 1.00 0.36 H new ATOM 0 HB3 ALA A 50 3.029 -1.811 -4.006 1.00 0.36 H new ATOM 731 N GLU A 51 5.292 -2.085 -5.983 1.00 0.32 N ATOM 732 CA GLU A 51 6.713 -2.409 -6.098 1.00 0.39 C ATOM 733 C GLU A 51 7.329 -1.680 -7.285 1.00 0.39 C ATOM 734 O GLU A 51 8.361 -1.024 -7.166 1.00 0.47 O ATOM 735 CB GLU A 51 6.914 -3.903 -6.288 1.00 0.49 C ATOM 736 CG GLU A 51 6.305 -4.765 -5.214 1.00 0.36 C ATOM 737 CD GLU A 51 6.604 -6.215 -5.443 1.00 0.44 C ATOM 738 OE1 GLU A 51 5.877 -6.862 -6.211 1.00 0.70 O ATOM 739 OE2 GLU A 51 7.545 -6.755 -4.812 1.00 0.78 O ATOM 0 H GLU A 51 4.673 -2.895 -6.019 1.00 0.32 H new ATOM 0 HA GLU A 51 7.199 -2.093 -5.175 1.00 0.39 H new ATOM 0 HB2 GLU A 51 6.491 -4.193 -7.250 1.00 0.49 H new ATOM 0 HB3 GLU A 51 7.983 -4.108 -6.336 1.00 0.49 H new ATOM 0 HG2 GLU A 51 6.690 -4.462 -4.240 1.00 0.36 H new ATOM 0 HG3 GLU A 51 5.226 -4.613 -5.192 1.00 0.36 H new ATOM 746 N GLU A 52 6.661 -1.768 -8.419 1.00 0.36 N ATOM 747 CA GLU A 52 7.141 -1.132 -9.625 1.00 0.41 C ATOM 748 C GLU A 52 6.968 0.389 -9.583 1.00 0.38 C ATOM 749 O GLU A 52 7.817 1.121 -10.089 1.00 0.47 O ATOM 750 CB GLU A 52 6.482 -1.725 -10.874 1.00 0.49 C ATOM 751 CG GLU A 52 4.969 -1.811 -10.802 1.00 0.53 C ATOM 752 CD GLU A 52 4.346 -2.128 -12.129 1.00 0.73 C ATOM 753 OE1 GLU A 52 4.281 -3.326 -12.493 1.00 0.96 O ATOM 754 OE2 GLU A 52 3.880 -1.205 -12.822 1.00 0.94 O ATOM 0 H GLU A 52 5.783 -2.275 -8.528 1.00 0.36 H new ATOM 0 HA GLU A 52 8.210 -1.335 -9.682 1.00 0.41 H new ATOM 0 HB2 GLU A 52 6.759 -1.121 -11.738 1.00 0.49 H new ATOM 0 HB3 GLU A 52 6.883 -2.724 -11.042 1.00 0.49 H new ATOM 0 HG2 GLU A 52 4.686 -2.577 -10.080 1.00 0.53 H new ATOM 0 HG3 GLU A 52 4.572 -0.865 -10.435 1.00 0.53 H new ATOM 761 N ARG A 53 5.887 0.858 -8.968 1.00 0.32 N ATOM 762 CA ARG A 53 5.622 2.285 -8.896 1.00 0.36 C ATOM 763 C ARG A 53 6.573 2.991 -7.936 1.00 0.35 C ATOM 764 O ARG A 53 7.228 3.974 -8.301 1.00 0.48 O ATOM 765 CB ARG A 53 4.165 2.584 -8.481 1.00 0.46 C ATOM 766 CG ARG A 53 3.878 4.076 -8.441 1.00 1.11 C ATOM 767 CD ARG A 53 4.070 4.662 -9.817 1.00 1.21 C ATOM 768 NE ARG A 53 4.504 6.049 -9.792 1.00 2.17 N ATOM 769 CZ ARG A 53 4.925 6.709 -10.868 1.00 2.78 C ATOM 770 NH1 ARG A 53 4.815 6.157 -12.082 1.00 2.79 N ATOM 771 NH2 ARG A 53 5.445 7.914 -10.727 1.00 3.85 N ATOM 0 H ARG A 53 5.185 0.272 -8.515 1.00 0.32 H new ATOM 0 HA ARG A 53 5.785 2.671 -9.902 1.00 0.36 H new ATOM 0 HB2 ARG A 53 3.483 2.102 -9.181 1.00 0.46 H new ATOM 0 HB3 ARG A 53 3.972 2.151 -7.499 1.00 0.46 H new ATOM 0 HG2 ARG A 53 2.858 4.252 -8.098 1.00 1.11 H new ATOM 0 HG3 ARG A 53 4.543 4.566 -7.729 1.00 1.11 H new ATOM 0 HD2 ARG A 53 4.805 4.067 -10.359 1.00 1.21 H new ATOM 0 HD3 ARG A 53 3.133 4.591 -10.369 1.00 1.21 H new ATOM 0 HE ARG A 53 4.485 6.544 -8.900 1.00 2.17 H new ATOM 0 HH11 ARG A 53 4.407 5.228 -12.185 1.00 2.79 H new ATOM 0 HH12 ARG A 53 5.139 6.666 -12.905 1.00 2.79 H new ATOM 0 HH21 ARG A 53 5.521 8.331 -9.799 1.00 3.85 H new ATOM 0 HH22 ARG A 53 5.771 8.428 -11.546 1.00 3.85 H new ATOM 785 N PHE A 54 6.660 2.480 -6.728 1.00 0.29 N ATOM 786 CA PHE A 54 7.432 3.120 -5.685 1.00 0.30 C ATOM 787 C PHE A 54 8.874 2.698 -5.716 1.00 0.33 C ATOM 788 O PHE A 54 9.645 3.057 -4.829 1.00 0.40 O ATOM 789 CB PHE A 54 6.827 2.846 -4.318 1.00 0.31 C ATOM 790 CG PHE A 54 5.451 3.379 -4.210 1.00 0.30 C ATOM 791 CD1 PHE A 54 5.230 4.731 -4.120 1.00 0.35 C ATOM 792 CD2 PHE A 54 4.376 2.522 -4.177 1.00 0.35 C ATOM 793 CE1 PHE A 54 3.963 5.221 -3.999 1.00 0.39 C ATOM 794 CE2 PHE A 54 3.106 3.006 -4.054 1.00 0.38 C ATOM 795 CZ PHE A 54 2.903 4.374 -4.052 1.00 0.37 C ATOM 0 H PHE A 54 6.201 1.615 -6.442 1.00 0.29 H new ATOM 0 HA PHE A 54 7.399 4.193 -5.873 1.00 0.30 H new ATOM 0 HB2 PHE A 54 6.816 1.772 -4.134 1.00 0.31 H new ATOM 0 HB3 PHE A 54 7.453 3.295 -3.547 1.00 0.31 H new ATOM 0 HD1 PHE A 54 6.067 5.413 -4.145 1.00 0.35 H new ATOM 0 HD2 PHE A 54 4.538 1.457 -4.249 1.00 0.35 H new ATOM 0 HE1 PHE A 54 3.803 6.280 -3.861 1.00 0.39 H new ATOM 0 HE2 PHE A 54 2.270 2.329 -3.959 1.00 0.38 H new ATOM 0 HZ PHE A 54 1.899 4.770 -4.093 1.00 0.37 H new ATOM 805 N ASP A 55 9.210 1.871 -6.713 1.00 0.36 N ATOM 806 CA ASP A 55 10.597 1.450 -7.015 1.00 0.44 C ATOM 807 C ASP A 55 11.194 0.575 -5.886 1.00 0.46 C ATOM 808 O ASP A 55 12.377 0.227 -5.885 1.00 0.77 O ATOM 809 CB ASP A 55 11.456 2.711 -7.292 1.00 0.53 C ATOM 810 CG ASP A 55 12.843 2.419 -7.832 1.00 1.14 C ATOM 811 OD1 ASP A 55 12.958 2.004 -9.018 1.00 1.23 O ATOM 812 OD2 ASP A 55 13.843 2.660 -7.117 1.00 1.95 O ATOM 0 H ASP A 55 8.521 1.465 -7.346 1.00 0.36 H new ATOM 0 HA ASP A 55 10.594 0.822 -7.906 1.00 0.44 H new ATOM 0 HB2 ASP A 55 10.928 3.346 -8.004 1.00 0.53 H new ATOM 0 HB3 ASP A 55 11.552 3.280 -6.368 1.00 0.53 H new ATOM 817 N VAL A 56 10.348 0.168 -4.982 1.00 0.35 N ATOM 818 CA VAL A 56 10.738 -0.598 -3.828 1.00 0.40 C ATOM 819 C VAL A 56 10.024 -1.941 -3.844 1.00 0.52 C ATOM 820 O VAL A 56 8.802 -2.004 -3.934 1.00 1.14 O ATOM 821 CB VAL A 56 10.453 0.198 -2.495 1.00 0.55 C ATOM 822 CG1 VAL A 56 9.009 0.681 -2.391 1.00 1.00 C ATOM 823 CG2 VAL A 56 10.831 -0.623 -1.264 1.00 1.37 C ATOM 0 H VAL A 56 9.348 0.362 -5.026 1.00 0.35 H new ATOM 0 HA VAL A 56 11.813 -0.777 -3.865 1.00 0.40 H new ATOM 0 HB VAL A 56 11.086 1.085 -2.531 1.00 0.55 H new ATOM 0 HG11 VAL A 56 8.873 1.221 -1.454 1.00 1.00 H new ATOM 0 HG12 VAL A 56 8.786 1.343 -3.228 1.00 1.00 H new ATOM 0 HG13 VAL A 56 8.336 -0.176 -2.417 1.00 1.00 H new ATOM 0 HG21 VAL A 56 10.622 -0.046 -0.363 1.00 1.37 H new ATOM 0 HG22 VAL A 56 10.248 -1.544 -1.248 1.00 1.37 H new ATOM 0 HG23 VAL A 56 11.893 -0.866 -1.301 1.00 1.37 H new ATOM 833 N LYS A 57 10.803 -2.996 -3.849 1.00 0.41 N ATOM 834 CA LYS A 57 10.278 -4.336 -3.854 1.00 0.40 C ATOM 835 C LYS A 57 9.663 -4.637 -2.506 1.00 0.45 C ATOM 836 O LYS A 57 10.312 -4.475 -1.463 1.00 0.67 O ATOM 837 CB LYS A 57 11.384 -5.344 -4.181 1.00 0.57 C ATOM 838 CG LYS A 57 10.947 -6.794 -4.091 1.00 1.30 C ATOM 839 CD LYS A 57 12.058 -7.734 -4.491 1.00 1.77 C ATOM 840 CE LYS A 57 11.636 -9.176 -4.323 1.00 2.45 C ATOM 841 NZ LYS A 57 12.699 -10.112 -4.736 1.00 3.34 N ATOM 0 H LYS A 57 11.822 -2.947 -3.850 1.00 0.41 H new ATOM 0 HA LYS A 57 9.510 -4.419 -4.623 1.00 0.40 H new ATOM 0 HB2 LYS A 57 11.753 -5.149 -5.188 1.00 0.57 H new ATOM 0 HB3 LYS A 57 12.219 -5.184 -3.499 1.00 0.57 H new ATOM 0 HG2 LYS A 57 10.630 -7.017 -3.072 1.00 1.30 H new ATOM 0 HG3 LYS A 57 10.083 -6.955 -4.736 1.00 1.30 H new ATOM 0 HD2 LYS A 57 12.337 -7.552 -5.529 1.00 1.77 H new ATOM 0 HD3 LYS A 57 12.942 -7.537 -3.884 1.00 1.77 H new ATOM 0 HE2 LYS A 57 11.376 -9.359 -3.280 1.00 2.45 H new ATOM 0 HE3 LYS A 57 10.739 -9.363 -4.913 1.00 2.45 H new ATOM 0 HZ1 LYS A 57 12.370 -11.090 -4.605 1.00 3.34 H new ATOM 0 HZ2 LYS A 57 12.930 -9.955 -5.738 1.00 3.34 H new ATOM 0 HZ3 LYS A 57 13.547 -9.952 -4.156 1.00 3.34 H new ATOM 855 N ILE A 58 8.439 -5.069 -2.525 1.00 0.36 N ATOM 856 CA ILE A 58 7.711 -5.330 -1.325 1.00 0.42 C ATOM 857 C ILE A 58 7.114 -6.722 -1.443 1.00 0.46 C ATOM 858 O ILE A 58 6.069 -6.905 -2.083 1.00 0.52 O ATOM 859 CB ILE A 58 6.558 -4.303 -1.097 1.00 0.47 C ATOM 860 CG1 ILE A 58 7.055 -2.863 -1.301 1.00 0.48 C ATOM 861 CG2 ILE A 58 6.017 -4.455 0.322 1.00 0.55 C ATOM 862 CD1 ILE A 58 5.962 -1.815 -1.260 1.00 0.57 C ATOM 0 H ILE A 58 7.915 -5.251 -3.381 1.00 0.36 H new ATOM 0 HA ILE A 58 8.393 -5.247 -0.478 1.00 0.42 H new ATOM 0 HB ILE A 58 5.769 -4.503 -1.822 1.00 0.47 H new ATOM 0 HG12 ILE A 58 7.792 -2.633 -0.532 1.00 0.48 H new ATOM 0 HG13 ILE A 58 7.567 -2.800 -2.261 1.00 0.48 H new ATOM 0 HG21 ILE A 58 5.212 -3.738 0.483 1.00 0.55 H new ATOM 0 HG22 ILE A 58 5.635 -5.467 0.459 1.00 0.55 H new ATOM 0 HG23 ILE A 58 6.817 -4.269 1.038 1.00 0.55 H new ATOM 0 HD11 ILE A 58 6.398 -0.828 -1.412 1.00 0.57 H new ATOM 0 HD12 ILE A 58 5.236 -2.016 -2.047 1.00 0.57 H new ATOM 0 HD13 ILE A 58 5.464 -1.846 -0.291 1.00 0.57 H new ATOM 874 N PRO A 59 7.798 -7.731 -0.891 1.00 0.47 N ATOM 875 CA PRO A 59 7.334 -9.107 -0.950 1.00 0.53 C ATOM 876 C PRO A 59 6.011 -9.243 -0.231 1.00 0.53 C ATOM 877 O PRO A 59 5.903 -8.880 0.949 1.00 0.46 O ATOM 878 CB PRO A 59 8.428 -9.897 -0.209 1.00 0.59 C ATOM 879 CG PRO A 59 9.612 -8.996 -0.207 1.00 0.63 C ATOM 880 CD PRO A 59 9.061 -7.608 -0.150 1.00 0.50 C ATOM 0 HA PRO A 59 7.176 -9.458 -1.970 1.00 0.53 H new ATOM 0 HB2 PRO A 59 8.118 -10.145 0.806 1.00 0.59 H new ATOM 0 HB3 PRO A 59 8.648 -10.838 -0.714 1.00 0.59 H new ATOM 0 HG2 PRO A 59 10.256 -9.197 0.649 1.00 0.63 H new ATOM 0 HG3 PRO A 59 10.217 -9.141 -1.102 1.00 0.63 H new ATOM 0 HD2 PRO A 59 8.898 -7.279 0.876 1.00 0.50 H new ATOM 0 HD3 PRO A 59 9.734 -6.886 -0.613 1.00 0.50 H new ATOM 888 N ASP A 60 5.009 -9.772 -0.925 1.00 0.68 N ATOM 889 CA ASP A 60 3.657 -9.919 -0.369 1.00 0.77 C ATOM 890 C ASP A 60 3.671 -10.777 0.888 1.00 0.70 C ATOM 891 O ASP A 60 2.833 -10.611 1.753 1.00 0.69 O ATOM 892 CB ASP A 60 2.652 -10.479 -1.400 1.00 1.08 C ATOM 893 CG ASP A 60 2.943 -11.900 -1.808 1.00 1.50 C ATOM 894 OD1 ASP A 60 3.869 -12.130 -2.605 1.00 1.84 O ATOM 895 OD2 ASP A 60 2.221 -12.807 -1.365 1.00 2.30 O ATOM 0 H ASP A 60 5.104 -10.111 -1.883 1.00 0.68 H new ATOM 0 HA ASP A 60 3.319 -8.918 -0.102 1.00 0.77 H new ATOM 0 HB2 ASP A 60 1.647 -10.427 -0.982 1.00 1.08 H new ATOM 0 HB3 ASP A 60 2.661 -9.845 -2.287 1.00 1.08 H new ATOM 900 N ASP A 61 4.666 -11.653 0.996 1.00 0.75 N ATOM 901 CA ASP A 61 4.861 -12.489 2.183 1.00 0.85 C ATOM 902 C ASP A 61 5.147 -11.627 3.423 1.00 0.71 C ATOM 903 O ASP A 61 4.693 -11.938 4.526 1.00 0.79 O ATOM 904 CB ASP A 61 6.012 -13.477 1.951 1.00 1.13 C ATOM 905 CG ASP A 61 6.267 -14.392 3.132 1.00 1.80 C ATOM 906 OD1 ASP A 61 5.560 -15.401 3.279 1.00 2.31 O ATOM 907 OD2 ASP A 61 7.198 -14.137 3.915 1.00 2.38 O ATOM 0 H ASP A 61 5.361 -11.805 0.265 1.00 0.75 H new ATOM 0 HA ASP A 61 3.942 -13.047 2.360 1.00 0.85 H new ATOM 0 HB2 ASP A 61 5.789 -14.083 1.073 1.00 1.13 H new ATOM 0 HB3 ASP A 61 6.922 -12.918 1.731 1.00 1.13 H new ATOM 912 N ASP A 62 5.859 -10.515 3.222 1.00 0.60 N ATOM 913 CA ASP A 62 6.207 -9.600 4.323 1.00 0.62 C ATOM 914 C ASP A 62 5.048 -8.654 4.557 1.00 0.51 C ATOM 915 O ASP A 62 4.770 -8.242 5.677 1.00 0.61 O ATOM 916 CB ASP A 62 7.485 -8.794 4.012 1.00 0.74 C ATOM 917 CG ASP A 62 8.017 -8.057 5.234 1.00 0.82 C ATOM 918 OD1 ASP A 62 8.802 -8.619 6.013 1.00 1.52 O ATOM 919 OD2 ASP A 62 7.646 -6.871 5.423 1.00 1.17 O ATOM 0 H ASP A 62 6.208 -10.223 2.309 1.00 0.60 H new ATOM 0 HA ASP A 62 6.402 -10.192 5.217 1.00 0.62 H new ATOM 0 HB2 ASP A 62 8.254 -9.468 3.634 1.00 0.74 H new ATOM 0 HB3 ASP A 62 7.274 -8.075 3.220 1.00 0.74 H new ATOM 924 N VAL A 63 4.329 -8.374 3.475 1.00 0.43 N ATOM 925 CA VAL A 63 3.126 -7.530 3.489 1.00 0.46 C ATOM 926 C VAL A 63 2.057 -8.116 4.429 1.00 0.46 C ATOM 927 O VAL A 63 1.242 -7.400 4.998 1.00 0.55 O ATOM 928 CB VAL A 63 2.534 -7.388 2.048 1.00 0.53 C ATOM 929 CG1 VAL A 63 1.234 -6.618 2.033 1.00 0.79 C ATOM 930 CG2 VAL A 63 3.525 -6.719 1.135 1.00 0.73 C ATOM 0 H VAL A 63 4.564 -8.729 2.548 1.00 0.43 H new ATOM 0 HA VAL A 63 3.416 -6.545 3.854 1.00 0.46 H new ATOM 0 HB VAL A 63 2.327 -8.397 1.692 1.00 0.53 H new ATOM 0 HG11 VAL A 63 0.865 -6.547 1.010 1.00 0.79 H new ATOM 0 HG12 VAL A 63 0.498 -7.134 2.650 1.00 0.79 H new ATOM 0 HG13 VAL A 63 1.400 -5.616 2.429 1.00 0.79 H new ATOM 0 HG21 VAL A 63 3.097 -6.628 0.137 1.00 0.73 H new ATOM 0 HG22 VAL A 63 3.762 -5.727 1.520 1.00 0.73 H new ATOM 0 HG23 VAL A 63 4.436 -7.316 1.086 1.00 0.73 H new ATOM 940 N LYS A 64 2.144 -9.414 4.653 1.00 0.46 N ATOM 941 CA LYS A 64 1.197 -10.137 5.481 1.00 0.55 C ATOM 942 C LYS A 64 1.442 -9.866 6.964 1.00 0.54 C ATOM 943 O LYS A 64 0.711 -10.365 7.820 1.00 0.63 O ATOM 944 CB LYS A 64 1.276 -11.641 5.180 1.00 0.68 C ATOM 945 CG LYS A 64 1.010 -11.957 3.722 1.00 0.77 C ATOM 946 CD LYS A 64 1.156 -13.428 3.390 1.00 0.99 C ATOM 947 CE LYS A 64 1.040 -13.634 1.882 1.00 1.17 C ATOM 948 NZ LYS A 64 1.053 -15.058 1.492 1.00 1.24 N ATOM 0 H LYS A 64 2.881 -10.001 4.262 1.00 0.46 H new ATOM 0 HA LYS A 64 0.193 -9.785 5.244 1.00 0.55 H new ATOM 0 HB2 LYS A 64 2.264 -12.011 5.454 1.00 0.68 H new ATOM 0 HB3 LYS A 64 0.553 -12.171 5.801 1.00 0.68 H new ATOM 0 HG2 LYS A 64 0.002 -11.632 3.465 1.00 0.77 H new ATOM 0 HG3 LYS A 64 1.697 -11.382 3.102 1.00 0.77 H new ATOM 0 HD2 LYS A 64 2.120 -13.796 3.743 1.00 0.99 H new ATOM 0 HD3 LYS A 64 0.387 -14.004 3.905 1.00 0.99 H new ATOM 0 HE2 LYS A 64 0.117 -13.174 1.528 1.00 1.17 H new ATOM 0 HE3 LYS A 64 1.863 -13.120 1.386 1.00 1.17 H new ATOM 0 HZ1 LYS A 64 0.971 -15.136 0.458 1.00 1.24 H new ATOM 0 HZ2 LYS A 64 1.944 -15.495 1.803 1.00 1.24 H new ATOM 0 HZ3 LYS A 64 0.253 -15.548 1.940 1.00 1.24 H new ATOM 962 N ASN A 65 2.477 -9.098 7.257 1.00 0.50 N ATOM 963 CA ASN A 65 2.787 -8.714 8.624 1.00 0.56 C ATOM 964 C ASN A 65 2.253 -7.329 8.893 1.00 0.52 C ATOM 965 O ASN A 65 2.054 -6.940 10.049 1.00 0.65 O ATOM 966 CB ASN A 65 4.299 -8.641 8.863 1.00 0.64 C ATOM 967 CG ASN A 65 5.073 -9.891 8.542 1.00 1.32 C ATOM 968 OD1 ASN A 65 4.565 -11.010 8.625 1.00 1.95 O ATOM 969 ND2 ASN A 65 6.322 -9.708 8.190 1.00 2.07 N ATOM 0 H ASN A 65 3.122 -8.725 6.560 1.00 0.50 H new ATOM 0 HA ASN A 65 2.338 -9.465 9.273 1.00 0.56 H new ATOM 0 HB2 ASN A 65 4.703 -7.823 8.267 1.00 0.64 H new ATOM 0 HB3 ASN A 65 4.471 -8.388 9.909 1.00 0.64 H new ATOM 0 HD21 ASN A 65 6.913 -10.510 7.972 1.00 2.07 H new ATOM 0 HD22 ASN A 65 6.703 -8.763 8.134 1.00 2.07 H new ATOM 976 N LEU A 66 2.021 -6.577 7.838 1.00 0.43 N ATOM 977 CA LEU A 66 1.665 -5.191 7.988 1.00 0.43 C ATOM 978 C LEU A 66 0.185 -5.036 8.182 1.00 0.43 C ATOM 979 O LEU A 66 -0.572 -5.956 7.902 1.00 0.47 O ATOM 980 CB LEU A 66 2.147 -4.369 6.808 1.00 0.44 C ATOM 981 CG LEU A 66 3.648 -4.402 6.519 1.00 0.50 C ATOM 982 CD1 LEU A 66 3.963 -3.430 5.421 1.00 0.57 C ATOM 983 CD2 LEU A 66 4.458 -4.068 7.759 1.00 0.60 C ATOM 0 H LEU A 66 2.073 -6.904 6.873 1.00 0.43 H new ATOM 0 HA LEU A 66 2.164 -4.814 8.881 1.00 0.43 H new ATOM 0 HB2 LEU A 66 1.621 -4.711 5.917 1.00 0.44 H new ATOM 0 HB3 LEU A 66 1.854 -3.332 6.973 1.00 0.44 H new ATOM 0 HG LEU A 66 3.918 -5.411 6.209 1.00 0.50 H new ATOM 0 HD11 LEU A 66 5.033 -3.451 5.212 1.00 0.57 H new ATOM 0 HD12 LEU A 66 3.412 -3.706 4.522 1.00 0.57 H new ATOM 0 HD13 LEU A 66 3.673 -2.426 5.730 1.00 0.57 H new ATOM 0 HD21 LEU A 66 5.521 -4.100 7.519 1.00 0.60 H new ATOM 0 HD22 LEU A 66 4.195 -3.069 8.107 1.00 0.60 H new ATOM 0 HD23 LEU A 66 4.241 -4.794 8.542 1.00 0.60 H new ATOM 995 N LYS A 67 -0.231 -3.888 8.683 1.00 0.45 N ATOM 996 CA LYS A 67 -1.633 -3.672 8.984 1.00 0.50 C ATOM 997 C LYS A 67 -2.159 -2.360 8.419 1.00 0.43 C ATOM 998 O LYS A 67 -3.065 -2.356 7.588 1.00 0.52 O ATOM 999 CB LYS A 67 -1.866 -3.749 10.491 1.00 0.64 C ATOM 1000 CG LYS A 67 -1.350 -5.041 11.107 1.00 0.85 C ATOM 1001 CD LYS A 67 -1.573 -5.103 12.613 1.00 0.88 C ATOM 1002 CE LYS A 67 -3.057 -5.032 12.962 1.00 1.86 C ATOM 1003 NZ LYS A 67 -3.293 -5.172 14.414 1.00 2.69 N ATOM 0 H LYS A 67 0.377 -3.096 8.889 1.00 0.45 H new ATOM 0 HA LYS A 67 -2.195 -4.467 8.494 1.00 0.50 H new ATOM 0 HB2 LYS A 67 -1.376 -2.902 10.972 1.00 0.64 H new ATOM 0 HB3 LYS A 67 -2.933 -3.657 10.693 1.00 0.64 H new ATOM 0 HG2 LYS A 67 -1.847 -5.888 10.635 1.00 0.85 H new ATOM 0 HG3 LYS A 67 -0.285 -5.139 10.897 1.00 0.85 H new ATOM 0 HD2 LYS A 67 -1.149 -6.027 13.007 1.00 0.88 H new ATOM 0 HD3 LYS A 67 -1.045 -4.280 13.094 1.00 0.88 H new ATOM 0 HE2 LYS A 67 -3.465 -4.081 12.619 1.00 1.86 H new ATOM 0 HE3 LYS A 67 -3.592 -5.819 12.430 1.00 1.86 H new ATOM 0 HZ1 LYS A 67 -4.314 -5.118 14.607 1.00 2.69 H new ATOM 0 HZ2 LYS A 67 -2.928 -6.090 14.738 1.00 2.69 H new ATOM 0 HZ3 LYS A 67 -2.804 -4.406 14.921 1.00 2.69 H new ATOM 1017 N THR A 68 -1.629 -1.253 8.866 1.00 0.37 N ATOM 1018 CA THR A 68 -2.103 0.015 8.383 1.00 0.35 C ATOM 1019 C THR A 68 -1.276 0.498 7.202 1.00 0.32 C ATOM 1020 O THR A 68 -0.275 -0.119 6.839 1.00 0.33 O ATOM 1021 CB THR A 68 -2.102 1.081 9.487 1.00 0.38 C ATOM 1022 OG1 THR A 68 -0.778 1.194 10.020 1.00 0.36 O ATOM 1023 CG2 THR A 68 -3.064 0.699 10.600 1.00 0.46 C ATOM 0 H THR A 68 -0.878 -1.203 9.555 1.00 0.37 H new ATOM 0 HA THR A 68 -3.131 -0.138 8.055 1.00 0.35 H new ATOM 0 HB THR A 68 -2.422 2.033 9.064 1.00 0.38 H new ATOM 0 HG1 THR A 68 -0.766 1.874 10.725 1.00 0.36 H new ATOM 0 HG21 THR A 68 -3.049 1.467 11.373 1.00 0.46 H new ATOM 0 HG22 THR A 68 -4.072 0.611 10.195 1.00 0.46 H new ATOM 0 HG23 THR A 68 -2.761 -0.255 11.031 1.00 0.46 H new ATOM 1031 N VAL A 69 -1.657 1.622 6.637 1.00 0.33 N ATOM 1032 CA VAL A 69 -0.916 2.201 5.550 1.00 0.33 C ATOM 1033 C VAL A 69 0.232 3.026 6.089 1.00 0.34 C ATOM 1034 O VAL A 69 1.173 3.302 5.380 1.00 0.36 O ATOM 1035 CB VAL A 69 -1.785 3.037 4.575 1.00 0.39 C ATOM 1036 CG1 VAL A 69 -2.893 2.196 4.001 1.00 0.66 C ATOM 1037 CG2 VAL A 69 -2.364 4.243 5.252 1.00 0.56 C ATOM 0 H VAL A 69 -2.482 2.153 6.918 1.00 0.33 H new ATOM 0 HA VAL A 69 -0.529 1.370 4.960 1.00 0.33 H new ATOM 0 HB VAL A 69 -1.136 3.376 3.768 1.00 0.39 H new ATOM 0 HG11 VAL A 69 -3.492 2.800 3.319 1.00 0.66 H new ATOM 0 HG12 VAL A 69 -2.466 1.352 3.459 1.00 0.66 H new ATOM 0 HG13 VAL A 69 -3.525 1.826 4.809 1.00 0.66 H new ATOM 0 HG21 VAL A 69 -2.967 4.806 4.540 1.00 0.56 H new ATOM 0 HG22 VAL A 69 -2.990 3.926 6.087 1.00 0.56 H new ATOM 0 HG23 VAL A 69 -1.557 4.875 5.623 1.00 0.56 H new ATOM 1047 N GLY A 70 0.157 3.359 7.378 1.00 0.36 N ATOM 1048 CA GLY A 70 1.244 4.042 8.038 1.00 0.38 C ATOM 1049 C GLY A 70 2.318 3.046 8.372 1.00 0.39 C ATOM 1050 O GLY A 70 3.515 3.361 8.436 1.00 0.46 O ATOM 0 H GLY A 70 -0.647 3.163 7.975 1.00 0.36 H new ATOM 0 HA2 GLY A 70 1.644 4.824 7.393 1.00 0.38 H new ATOM 0 HA3 GLY A 70 0.887 4.529 8.946 1.00 0.38 H new ATOM 1054 N ASP A 71 1.877 1.826 8.582 1.00 0.42 N ATOM 1055 CA ASP A 71 2.758 0.705 8.815 1.00 0.50 C ATOM 1056 C ASP A 71 3.344 0.255 7.478 1.00 0.49 C ATOM 1057 O ASP A 71 4.469 -0.223 7.403 1.00 0.58 O ATOM 1058 CB ASP A 71 1.952 -0.406 9.475 1.00 0.62 C ATOM 1059 CG ASP A 71 2.725 -1.642 9.842 1.00 0.82 C ATOM 1060 OD1 ASP A 71 3.912 -1.504 10.191 1.00 1.00 O ATOM 1061 OD2 ASP A 71 2.214 -2.770 9.679 1.00 1.62 O ATOM 0 H ASP A 71 0.887 1.582 8.596 1.00 0.42 H new ATOM 0 HA ASP A 71 3.583 0.976 9.474 1.00 0.50 H new ATOM 0 HB2 ASP A 71 1.490 -0.007 10.378 1.00 0.62 H new ATOM 0 HB3 ASP A 71 1.143 -0.692 8.802 1.00 0.62 H new ATOM 1066 N ALA A 72 2.577 0.484 6.420 1.00 0.43 N ATOM 1067 CA ALA A 72 2.976 0.160 5.063 1.00 0.48 C ATOM 1068 C ALA A 72 4.026 1.133 4.570 1.00 0.44 C ATOM 1069 O ALA A 72 5.081 0.716 4.057 1.00 0.47 O ATOM 1070 CB ALA A 72 1.776 0.174 4.135 1.00 0.51 C ATOM 0 H ALA A 72 1.650 0.905 6.484 1.00 0.43 H new ATOM 0 HA ALA A 72 3.403 -0.843 5.065 1.00 0.48 H new ATOM 0 HB1 ALA A 72 2.096 -0.071 3.122 1.00 0.51 H new ATOM 0 HB2 ALA A 72 1.046 -0.562 4.473 1.00 0.51 H new ATOM 0 HB3 ALA A 72 1.322 1.165 4.142 1.00 0.51 H new ATOM 1076 N THR A 73 3.752 2.433 4.741 1.00 0.40 N ATOM 1077 CA THR A 73 4.667 3.466 4.341 1.00 0.39 C ATOM 1078 C THR A 73 6.010 3.286 5.000 1.00 0.39 C ATOM 1079 O THR A 73 7.003 3.459 4.368 1.00 0.41 O ATOM 1080 CB THR A 73 4.118 4.878 4.626 1.00 0.37 C ATOM 1081 OG1 THR A 73 3.518 4.919 5.913 1.00 0.36 O ATOM 1082 CG2 THR A 73 3.124 5.320 3.569 1.00 0.46 C ATOM 0 H THR A 73 2.889 2.779 5.160 1.00 0.40 H new ATOM 0 HA THR A 73 4.789 3.373 3.262 1.00 0.39 H new ATOM 0 HB THR A 73 4.958 5.572 4.598 1.00 0.37 H new ATOM 0 HG1 THR A 73 3.911 4.222 6.479 1.00 0.36 H new ATOM 0 HG21 THR A 73 2.761 6.320 3.807 1.00 0.46 H new ATOM 0 HG22 THR A 73 3.611 5.333 2.594 1.00 0.46 H new ATOM 0 HG23 THR A 73 2.285 4.625 3.546 1.00 0.46 H new ATOM 1090 N LYS A 74 6.001 2.861 6.259 1.00 0.47 N ATOM 1091 CA LYS A 74 7.212 2.620 7.049 1.00 0.53 C ATOM 1092 C LYS A 74 8.235 1.703 6.326 1.00 0.48 C ATOM 1093 O LYS A 74 9.454 1.915 6.424 1.00 0.55 O ATOM 1094 CB LYS A 74 6.806 2.078 8.430 1.00 0.65 C ATOM 1095 CG LYS A 74 7.947 1.592 9.317 1.00 1.26 C ATOM 1096 CD LYS A 74 7.474 1.331 10.751 1.00 1.88 C ATOM 1097 CE LYS A 74 6.270 0.390 10.829 1.00 2.66 C ATOM 1098 NZ LYS A 74 6.534 -0.963 10.287 1.00 3.54 N ATOM 0 H LYS A 74 5.140 2.670 6.771 1.00 0.47 H new ATOM 0 HA LYS A 74 7.736 3.567 7.179 1.00 0.53 H new ATOM 0 HB2 LYS A 74 6.267 2.862 8.962 1.00 0.65 H new ATOM 0 HB3 LYS A 74 6.108 1.253 8.284 1.00 0.65 H new ATOM 0 HG2 LYS A 74 8.369 0.677 8.900 1.00 1.26 H new ATOM 0 HG3 LYS A 74 8.744 2.335 9.326 1.00 1.26 H new ATOM 0 HD2 LYS A 74 8.297 0.906 11.326 1.00 1.88 H new ATOM 0 HD3 LYS A 74 7.215 2.281 11.219 1.00 1.88 H new ATOM 0 HE2 LYS A 74 5.957 0.300 11.869 1.00 2.66 H new ATOM 0 HE3 LYS A 74 5.437 0.834 10.283 1.00 2.66 H new ATOM 0 HZ1 LYS A 74 5.638 -1.483 10.199 1.00 3.54 H new ATOM 0 HZ2 LYS A 74 6.980 -0.881 9.351 1.00 3.54 H new ATOM 0 HZ3 LYS A 74 7.170 -1.476 10.930 1.00 3.54 H new ATOM 1112 N TYR A 75 7.741 0.728 5.582 1.00 0.45 N ATOM 1113 CA TYR A 75 8.603 -0.164 4.808 1.00 0.44 C ATOM 1114 C TYR A 75 9.088 0.574 3.556 1.00 0.40 C ATOM 1115 O TYR A 75 10.279 0.730 3.320 1.00 0.48 O ATOM 1116 CB TYR A 75 7.812 -1.431 4.409 1.00 0.49 C ATOM 1117 CG TYR A 75 8.604 -2.478 3.636 1.00 0.50 C ATOM 1118 CD1 TYR A 75 8.700 -2.418 2.256 1.00 0.52 C ATOM 1119 CD2 TYR A 75 9.264 -3.512 4.292 1.00 0.68 C ATOM 1120 CE1 TYR A 75 9.425 -3.355 1.549 1.00 0.61 C ATOM 1121 CE2 TYR A 75 9.989 -4.453 3.590 1.00 0.77 C ATOM 1122 CZ TYR A 75 10.028 -4.407 2.233 1.00 0.69 C ATOM 1123 OH TYR A 75 10.786 -5.306 1.514 1.00 0.83 O ATOM 0 H TYR A 75 6.744 0.530 5.494 1.00 0.45 H new ATOM 0 HA TYR A 75 9.464 -0.463 5.407 1.00 0.44 H new ATOM 0 HB2 TYR A 75 7.418 -1.893 5.314 1.00 0.49 H new ATOM 0 HB3 TYR A 75 6.955 -1.129 3.806 1.00 0.49 H new ATOM 0 HD1 TYR A 75 8.198 -1.623 1.724 1.00 0.52 H new ATOM 0 HD2 TYR A 75 9.208 -3.579 5.368 1.00 0.68 H new ATOM 0 HE1 TYR A 75 9.524 -3.273 0.477 1.00 0.61 H new ATOM 0 HE2 TYR A 75 10.526 -5.226 4.120 1.00 0.77 H new ATOM 0 HH TYR A 75 10.695 -5.118 0.556 1.00 0.83 H new ATOM 1133 N ILE A 76 8.127 1.067 2.813 1.00 0.37 N ATOM 1134 CA ILE A 76 8.317 1.770 1.539 1.00 0.43 C ATOM 1135 C ILE A 76 9.276 2.964 1.674 1.00 0.52 C ATOM 1136 O ILE A 76 10.186 3.150 0.855 1.00 0.65 O ATOM 1137 CB ILE A 76 6.952 2.304 1.102 1.00 0.45 C ATOM 1138 CG1 ILE A 76 5.973 1.159 0.891 1.00 0.48 C ATOM 1139 CG2 ILE A 76 7.071 3.162 -0.138 1.00 0.59 C ATOM 1140 CD1 ILE A 76 4.571 1.627 0.659 1.00 0.55 C ATOM 0 H ILE A 76 7.145 0.993 3.079 1.00 0.37 H new ATOM 0 HA ILE A 76 8.745 1.074 0.818 1.00 0.43 H new ATOM 0 HB ILE A 76 6.564 2.938 1.899 1.00 0.45 H new ATOM 0 HG12 ILE A 76 6.297 0.563 0.038 1.00 0.48 H new ATOM 0 HG13 ILE A 76 5.993 0.505 1.763 1.00 0.48 H new ATOM 0 HG21 ILE A 76 6.085 3.527 -0.424 1.00 0.59 H new ATOM 0 HG22 ILE A 76 7.726 4.009 0.067 1.00 0.59 H new ATOM 0 HG23 ILE A 76 7.489 2.569 -0.952 1.00 0.59 H new ATOM 0 HD11 ILE A 76 3.919 0.765 0.515 1.00 0.55 H new ATOM 0 HD12 ILE A 76 4.231 2.199 1.522 1.00 0.55 H new ATOM 0 HD13 ILE A 76 4.540 2.258 -0.230 1.00 0.55 H new ATOM 1152 N LEU A 77 9.030 3.745 2.709 1.00 0.52 N ATOM 1153 CA LEU A 77 9.708 4.994 3.064 1.00 0.71 C ATOM 1154 C LEU A 77 11.220 4.835 3.105 1.00 0.78 C ATOM 1155 O LEU A 77 11.956 5.801 2.935 1.00 0.96 O ATOM 1156 CB LEU A 77 9.218 5.380 4.436 1.00 0.86 C ATOM 1157 CG LEU A 77 9.457 6.797 4.944 1.00 0.88 C ATOM 1158 CD1 LEU A 77 8.513 7.772 4.263 1.00 1.74 C ATOM 1159 CD2 LEU A 77 9.277 6.849 6.448 1.00 0.99 C ATOM 0 H LEU A 77 8.297 3.512 3.379 1.00 0.52 H new ATOM 0 HA LEU A 77 9.485 5.752 2.313 1.00 0.71 H new ATOM 0 HB2 LEU A 77 8.143 5.200 4.462 1.00 0.86 H new ATOM 0 HB3 LEU A 77 9.674 4.695 5.151 1.00 0.86 H new ATOM 0 HG LEU A 77 10.480 7.086 4.704 1.00 0.88 H new ATOM 0 HD11 LEU A 77 8.697 8.779 4.638 1.00 1.74 H new ATOM 0 HD12 LEU A 77 8.681 7.749 3.186 1.00 1.74 H new ATOM 0 HD13 LEU A 77 7.482 7.489 4.476 1.00 1.74 H new ATOM 0 HD21 LEU A 77 9.450 7.866 6.800 1.00 0.99 H new ATOM 0 HD22 LEU A 77 8.262 6.544 6.704 1.00 0.99 H new ATOM 0 HD23 LEU A 77 9.989 6.174 6.923 1.00 0.99 H new ATOM 1171 N ASP A 78 11.668 3.609 3.302 1.00 0.71 N ATOM 1172 CA ASP A 78 13.101 3.311 3.387 1.00 0.84 C ATOM 1173 C ASP A 78 13.781 3.532 2.044 1.00 0.94 C ATOM 1174 O ASP A 78 14.884 4.066 1.968 1.00 1.09 O ATOM 1175 CB ASP A 78 13.339 1.872 3.856 1.00 0.91 C ATOM 1176 CG ASP A 78 14.816 1.524 3.982 1.00 1.15 C ATOM 1177 OD1 ASP A 78 15.456 1.881 5.007 1.00 1.32 O ATOM 1178 OD2 ASP A 78 15.372 0.907 3.037 1.00 1.26 O ATOM 0 H ASP A 78 11.063 2.794 3.408 1.00 0.71 H new ATOM 0 HA ASP A 78 13.534 3.993 4.119 1.00 0.84 H new ATOM 0 HB2 ASP A 78 12.853 1.725 4.821 1.00 0.91 H new ATOM 0 HB3 ASP A 78 12.868 1.184 3.154 1.00 0.91 H new