USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=12 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 Set 1.1: A 4 GLN : amide:sc= 0.345 K(o=1.6,f=-7.2!) USER MOD Set 1.2: A 74 LYS NZ :NH3+ -147:sc= 1.26 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 1.1 K(o=1.1,f=-0.12) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -174:sc= 1.22 (180deg=1.17) USER MOD Single : A 31 SER OG : rot -130:sc= 0.579 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= -0.0766 USER MOD Single : A 42 SER OG : rot -170:sc= -1.35 USER MOD Single : A 43 MET CE :methyl -162:sc= -0.11 (180deg=-0.483) 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= -0.0109 X(o=-0.011,f=-0.011) USER MOD Single : A 67 LYS NZ :NH3+ -117:sc= 1.43 (180deg=-0.0558) USER MOD Single : A 68 THR OG1 : rot -32:sc= 1.23 USER MOD Single : A 73 THR OG1 : rot -94:sc= 1.21 USER MOD Single : A 75 TYR OH : rot 66:sc= 1.09 USER MOD ----------------------------------------------------------------- ATOM 13 N ALA A 2 9.607 9.995 -3.257 1.00 1.12 N ATOM 14 CA ALA A 2 8.281 10.333 -2.795 1.00 0.91 C ATOM 15 C ALA A 2 8.225 10.112 -1.293 1.00 0.87 C ATOM 16 O ALA A 2 8.676 9.073 -0.802 1.00 1.07 O ATOM 17 CB ALA A 2 7.245 9.469 -3.503 1.00 0.92 C ATOM 0 HA ALA A 2 8.059 11.376 -3.020 1.00 0.91 H new ATOM 0 HB1 ALA A 2 6.248 9.731 -3.148 1.00 0.92 H new ATOM 0 HB2 ALA A 2 7.303 9.638 -4.578 1.00 0.92 H new ATOM 0 HB3 ALA A 2 7.441 8.418 -3.290 1.00 0.92 H new ATOM 23 N THR A 3 7.730 11.060 -0.556 1.00 0.76 N ATOM 24 CA THR A 3 7.714 10.892 0.873 1.00 0.76 C ATOM 25 C THR A 3 6.363 10.301 1.346 1.00 0.56 C ATOM 26 O THR A 3 5.576 9.877 0.514 1.00 0.48 O ATOM 27 CB THR A 3 8.136 12.181 1.629 1.00 0.97 C ATOM 28 OG1 THR A 3 9.031 12.955 0.780 1.00 1.45 O ATOM 29 CG2 THR A 3 8.926 11.808 2.877 1.00 1.57 C ATOM 0 H THR A 3 7.341 11.936 -0.904 1.00 0.76 H new ATOM 0 HA THR A 3 8.478 10.159 1.133 1.00 0.76 H new ATOM 0 HB THR A 3 7.241 12.746 1.889 1.00 0.97 H new ATOM 0 HG1 THR A 3 9.301 13.772 1.249 1.00 1.45 H new ATOM 0 HG21 THR A 3 9.221 12.715 3.405 1.00 1.57 H new ATOM 0 HG22 THR A 3 8.306 11.193 3.530 1.00 1.57 H new ATOM 0 HG23 THR A 3 9.817 11.249 2.590 1.00 1.57 H new ATOM 37 N GLN A 4 6.085 10.323 2.650 1.00 0.58 N ATOM 38 CA GLN A 4 4.962 9.596 3.243 1.00 0.52 C ATOM 39 C GLN A 4 3.616 9.902 2.586 1.00 0.49 C ATOM 40 O GLN A 4 2.900 8.978 2.197 1.00 0.51 O ATOM 41 CB GLN A 4 4.907 9.825 4.752 1.00 0.65 C ATOM 42 CG GLN A 4 3.906 8.935 5.454 1.00 1.14 C ATOM 43 CD GLN A 4 3.893 9.095 6.958 1.00 1.21 C ATOM 44 OE1 GLN A 4 3.618 8.145 7.676 1.00 1.64 O ATOM 45 NE2 GLN A 4 4.183 10.273 7.447 1.00 1.76 N ATOM 0 H GLN A 4 6.636 10.849 3.328 1.00 0.58 H new ATOM 0 HA GLN A 4 5.148 8.539 3.052 1.00 0.52 H new ATOM 0 HB2 GLN A 4 5.896 9.652 5.175 1.00 0.65 H new ATOM 0 HB3 GLN A 4 4.655 10.868 4.946 1.00 0.65 H new ATOM 0 HG2 GLN A 4 2.910 9.149 5.067 1.00 1.14 H new ATOM 0 HG3 GLN A 4 4.126 7.895 5.211 1.00 1.14 H new ATOM 0 HE21 GLN A 4 4.408 11.045 6.819 1.00 1.76 H new ATOM 0 HE22 GLN A 4 4.184 10.420 8.456 1.00 1.76 H new ATOM 54 N GLU A 5 3.300 11.178 2.430 1.00 0.53 N ATOM 55 CA GLU A 5 2.041 11.589 1.823 1.00 0.58 C ATOM 56 C GLU A 5 1.931 11.089 0.390 1.00 0.53 C ATOM 57 O GLU A 5 0.891 10.600 -0.021 1.00 0.60 O ATOM 58 CB GLU A 5 1.856 13.116 1.872 1.00 0.72 C ATOM 59 CG GLU A 5 2.942 13.925 1.172 1.00 1.48 C ATOM 60 CD GLU A 5 2.625 15.393 1.128 1.00 2.18 C ATOM 61 OE1 GLU A 5 1.931 15.833 0.180 1.00 3.05 O ATOM 62 OE2 GLU A 5 3.059 16.137 2.028 1.00 2.49 O ATOM 0 H GLU A 5 3.900 11.951 2.716 1.00 0.53 H new ATOM 0 HA GLU A 5 1.242 11.135 2.410 1.00 0.58 H new ATOM 0 HB2 GLU A 5 0.894 13.364 1.423 1.00 0.72 H new ATOM 0 HB3 GLU A 5 1.810 13.427 2.916 1.00 0.72 H new ATOM 0 HG2 GLU A 5 3.891 13.776 1.687 1.00 1.48 H new ATOM 0 HG3 GLU A 5 3.070 13.553 0.155 1.00 1.48 H new ATOM 69 N GLU A 6 3.036 11.148 -0.325 1.00 0.50 N ATOM 70 CA GLU A 6 3.085 10.757 -1.715 1.00 0.50 C ATOM 71 C GLU A 6 3.006 9.252 -1.834 1.00 0.42 C ATOM 72 O GLU A 6 2.460 8.733 -2.806 1.00 0.43 O ATOM 73 CB GLU A 6 4.356 11.265 -2.347 1.00 0.59 C ATOM 74 CG GLU A 6 4.517 12.762 -2.265 1.00 1.06 C ATOM 75 CD GLU A 6 5.844 13.196 -2.780 1.00 1.75 C ATOM 76 OE1 GLU A 6 6.818 13.131 -2.031 1.00 2.53 O ATOM 77 OE2 GLU A 6 5.950 13.595 -3.954 1.00 2.16 O ATOM 0 H GLU A 6 3.930 11.471 0.046 1.00 0.50 H new ATOM 0 HA GLU A 6 2.234 11.193 -2.237 1.00 0.50 H new ATOM 0 HB2 GLU A 6 5.208 10.790 -1.861 1.00 0.59 H new ATOM 0 HB3 GLU A 6 4.377 10.963 -3.394 1.00 0.59 H new ATOM 0 HG2 GLU A 6 3.727 13.246 -2.839 1.00 1.06 H new ATOM 0 HG3 GLU A 6 4.403 13.085 -1.230 1.00 1.06 H new ATOM 84 N ILE A 7 3.560 8.559 -0.834 1.00 0.36 N ATOM 85 CA ILE A 7 3.477 7.121 -0.761 1.00 0.33 C ATOM 86 C ILE A 7 1.998 6.729 -0.652 1.00 0.30 C ATOM 87 O ILE A 7 1.468 6.029 -1.502 1.00 0.30 O ATOM 88 CB ILE A 7 4.269 6.551 0.465 1.00 0.36 C ATOM 89 CG1 ILE A 7 5.778 6.822 0.322 1.00 0.40 C ATOM 90 CG2 ILE A 7 4.016 5.052 0.636 1.00 0.40 C ATOM 91 CD1 ILE A 7 6.404 6.252 -0.942 1.00 0.45 C ATOM 0 H ILE A 7 4.073 8.988 -0.064 1.00 0.36 H new ATOM 0 HA ILE A 7 3.926 6.698 -1.660 1.00 0.33 H new ATOM 0 HB ILE A 7 3.908 7.065 1.356 1.00 0.36 H new ATOM 0 HG12 ILE A 7 5.944 7.899 0.341 1.00 0.40 H new ATOM 0 HG13 ILE A 7 6.293 6.405 1.187 1.00 0.40 H new ATOM 0 HG21 ILE A 7 4.578 4.684 1.494 1.00 0.40 H new ATOM 0 HG22 ILE A 7 2.952 4.879 0.798 1.00 0.40 H new ATOM 0 HG23 ILE A 7 4.337 4.524 -0.262 1.00 0.40 H new ATOM 0 HD11 ILE A 7 7.468 6.490 -0.960 1.00 0.45 H new ATOM 0 HD12 ILE A 7 6.274 5.170 -0.956 1.00 0.45 H new ATOM 0 HD13 ILE A 7 5.920 6.687 -1.816 1.00 0.45 H new ATOM 103 N VAL A 8 1.348 7.225 0.396 1.00 0.31 N ATOM 104 CA VAL A 8 -0.078 6.974 0.664 1.00 0.35 C ATOM 105 C VAL A 8 -0.939 7.344 -0.559 1.00 0.34 C ATOM 106 O VAL A 8 -1.738 6.526 -1.044 1.00 0.36 O ATOM 107 CB VAL A 8 -0.549 7.801 1.892 1.00 0.45 C ATOM 108 CG1 VAL A 8 -2.015 7.581 2.165 1.00 0.57 C ATOM 109 CG2 VAL A 8 0.241 7.424 3.113 1.00 0.49 C ATOM 0 H VAL A 8 1.794 7.819 1.095 1.00 0.31 H new ATOM 0 HA VAL A 8 -0.198 5.911 0.873 1.00 0.35 H new ATOM 0 HB VAL A 8 -0.386 8.854 1.661 1.00 0.45 H new ATOM 0 HG11 VAL A 8 -2.317 8.172 3.030 1.00 0.57 H new ATOM 0 HG12 VAL A 8 -2.597 7.887 1.295 1.00 0.57 H new ATOM 0 HG13 VAL A 8 -2.193 6.525 2.368 1.00 0.57 H new ATOM 0 HG21 VAL A 8 -0.102 8.013 3.964 1.00 0.49 H new ATOM 0 HG22 VAL A 8 0.100 6.364 3.325 1.00 0.49 H new ATOM 0 HG23 VAL A 8 1.298 7.621 2.937 1.00 0.49 H new ATOM 119 N ALA A 9 -0.766 8.568 -1.047 1.00 0.37 N ATOM 120 CA ALA A 9 -1.504 9.067 -2.203 1.00 0.41 C ATOM 121 C ALA A 9 -1.288 8.176 -3.419 1.00 0.37 C ATOM 122 O ALA A 9 -2.232 7.891 -4.167 1.00 0.43 O ATOM 123 CB ALA A 9 -1.080 10.485 -2.527 1.00 0.48 C ATOM 0 H ALA A 9 -0.110 9.242 -0.653 1.00 0.37 H new ATOM 0 HA ALA A 9 -2.564 9.057 -1.951 1.00 0.41 H new ATOM 0 HB1 ALA A 9 -1.639 10.843 -3.391 1.00 0.48 H new ATOM 0 HB2 ALA A 9 -1.282 11.130 -1.672 1.00 0.48 H new ATOM 0 HB3 ALA A 9 -0.014 10.504 -2.752 1.00 0.48 H new ATOM 129 N GLY A 10 -0.058 7.717 -3.590 1.00 0.33 N ATOM 130 CA GLY A 10 0.281 6.872 -4.702 1.00 0.34 C ATOM 131 C GLY A 10 -0.387 5.528 -4.580 1.00 0.31 C ATOM 132 O GLY A 10 -0.887 4.989 -5.568 1.00 0.37 O ATOM 0 H GLY A 10 0.720 7.923 -2.963 1.00 0.33 H new ATOM 0 HA2 GLY A 10 -0.023 7.350 -5.633 1.00 0.34 H new ATOM 0 HA3 GLY A 10 1.362 6.742 -4.749 1.00 0.34 H new ATOM 136 N LEU A 11 -0.393 4.995 -3.357 1.00 0.26 N ATOM 137 CA LEU A 11 -1.035 3.723 -3.046 1.00 0.25 C ATOM 138 C LEU A 11 -2.485 3.782 -3.436 1.00 0.23 C ATOM 139 O LEU A 11 -2.984 2.911 -4.151 1.00 0.24 O ATOM 140 CB LEU A 11 -0.939 3.413 -1.543 1.00 0.28 C ATOM 141 CG LEU A 11 0.454 3.146 -0.977 1.00 0.30 C ATOM 142 CD1 LEU A 11 0.387 3.000 0.537 1.00 0.33 C ATOM 143 CD2 LEU A 11 1.046 1.893 -1.595 1.00 0.32 C ATOM 0 H LEU A 11 0.050 5.438 -2.552 1.00 0.26 H new ATOM 0 HA LEU A 11 -0.524 2.938 -3.604 1.00 0.25 H new ATOM 0 HB2 LEU A 11 -1.372 4.251 -0.996 1.00 0.28 H new ATOM 0 HB3 LEU A 11 -1.561 2.542 -1.336 1.00 0.28 H new ATOM 0 HG LEU A 11 1.095 3.992 -1.222 1.00 0.30 H new ATOM 0 HD11 LEU A 11 1.386 2.810 0.929 1.00 0.33 H new ATOM 0 HD12 LEU A 11 -0.006 3.918 0.974 1.00 0.33 H new ATOM 0 HD13 LEU A 11 -0.268 2.167 0.794 1.00 0.33 H new ATOM 0 HD21 LEU A 11 2.039 1.717 -1.181 1.00 0.32 H new ATOM 0 HD22 LEU A 11 0.404 1.040 -1.374 1.00 0.32 H new ATOM 0 HD23 LEU A 11 1.121 2.020 -2.675 1.00 0.32 H new ATOM 155 N ALA A 12 -3.138 4.854 -3.013 1.00 0.23 N ATOM 156 CA ALA A 12 -4.551 5.074 -3.252 1.00 0.23 C ATOM 157 C ALA A 12 -4.905 5.060 -4.729 1.00 0.21 C ATOM 158 O ALA A 12 -6.002 4.700 -5.082 1.00 0.24 O ATOM 159 CB ALA A 12 -4.997 6.365 -2.623 1.00 0.28 C ATOM 0 H ALA A 12 -2.692 5.605 -2.486 1.00 0.23 H new ATOM 0 HA ALA A 12 -5.081 4.242 -2.788 1.00 0.23 H new ATOM 0 HB1 ALA A 12 -6.060 6.514 -2.812 1.00 0.28 H new ATOM 0 HB2 ALA A 12 -4.822 6.325 -1.548 1.00 0.28 H new ATOM 0 HB3 ALA A 12 -4.433 7.193 -3.052 1.00 0.28 H new ATOM 165 N GLU A 13 -3.967 5.418 -5.585 1.00 0.24 N ATOM 166 CA GLU A 13 -4.217 5.408 -7.016 1.00 0.29 C ATOM 167 C GLU A 13 -4.391 3.996 -7.541 1.00 0.28 C ATOM 168 O GLU A 13 -5.280 3.733 -8.368 1.00 0.37 O ATOM 169 CB GLU A 13 -3.149 6.176 -7.772 1.00 0.42 C ATOM 170 CG GLU A 13 -3.183 7.653 -7.456 1.00 0.94 C ATOM 171 CD GLU A 13 -2.159 8.453 -8.203 1.00 1.53 C ATOM 172 OE1 GLU A 13 -2.179 8.446 -9.453 1.00 1.55 O ATOM 173 OE2 GLU A 13 -1.272 9.041 -7.563 1.00 2.48 O ATOM 0 H GLU A 13 -3.029 5.718 -5.318 1.00 0.24 H new ATOM 0 HA GLU A 13 -5.160 5.926 -7.190 1.00 0.29 H new ATOM 0 HB2 GLU A 13 -2.167 5.774 -7.521 1.00 0.42 H new ATOM 0 HB3 GLU A 13 -3.288 6.031 -8.843 1.00 0.42 H new ATOM 0 HG2 GLU A 13 -4.175 8.042 -7.687 1.00 0.94 H new ATOM 0 HG3 GLU A 13 -3.028 7.790 -6.386 1.00 0.94 H new ATOM 180 N ILE A 14 -3.605 3.067 -7.026 1.00 0.24 N ATOM 181 CA ILE A 14 -3.774 1.694 -7.423 1.00 0.28 C ATOM 182 C ILE A 14 -4.913 1.070 -6.597 1.00 0.25 C ATOM 183 O ILE A 14 -5.626 0.198 -7.060 1.00 0.32 O ATOM 184 CB ILE A 14 -2.473 0.797 -7.363 1.00 0.35 C ATOM 185 CG1 ILE A 14 -1.311 1.360 -8.213 1.00 0.43 C ATOM 186 CG2 ILE A 14 -2.787 -0.611 -7.840 1.00 0.42 C ATOM 187 CD1 ILE A 14 -0.560 2.517 -7.596 1.00 0.44 C ATOM 0 H ILE A 14 -2.862 3.238 -6.348 1.00 0.24 H new ATOM 0 HA ILE A 14 -4.024 1.717 -8.484 1.00 0.28 H new ATOM 0 HB ILE A 14 -2.152 0.792 -6.321 1.00 0.35 H new ATOM 0 HG12 ILE A 14 -0.604 0.554 -8.411 1.00 0.43 H new ATOM 0 HG13 ILE A 14 -1.709 1.679 -9.176 1.00 0.43 H new ATOM 0 HG21 ILE A 14 -1.884 -1.220 -7.795 1.00 0.42 H new ATOM 0 HG22 ILE A 14 -3.553 -1.049 -7.201 1.00 0.42 H new ATOM 0 HG23 ILE A 14 -3.149 -0.575 -8.867 1.00 0.42 H new ATOM 0 HD11 ILE A 14 0.234 2.837 -8.271 1.00 0.44 H new ATOM 0 HD12 ILE A 14 -1.246 3.346 -7.424 1.00 0.44 H new ATOM 0 HD13 ILE A 14 -0.125 2.204 -6.647 1.00 0.44 H new ATOM 199 N VAL A 15 -5.138 1.587 -5.393 1.00 0.22 N ATOM 200 CA VAL A 15 -6.257 1.116 -4.585 1.00 0.22 C ATOM 201 C VAL A 15 -7.589 1.570 -5.238 1.00 0.22 C ATOM 202 O VAL A 15 -8.615 0.922 -5.116 1.00 0.25 O ATOM 203 CB VAL A 15 -6.172 1.563 -3.084 1.00 0.26 C ATOM 204 CG1 VAL A 15 -7.321 0.988 -2.270 1.00 0.30 C ATOM 205 CG2 VAL A 15 -4.862 1.124 -2.459 1.00 0.34 C ATOM 0 H VAL A 15 -4.572 2.318 -4.962 1.00 0.22 H new ATOM 0 HA VAL A 15 -6.212 0.027 -4.563 1.00 0.22 H new ATOM 0 HB VAL A 15 -6.234 2.651 -3.073 1.00 0.26 H new ATOM 0 HG11 VAL A 15 -7.233 1.316 -1.234 1.00 0.30 H new ATOM 0 HG12 VAL A 15 -8.268 1.336 -2.682 1.00 0.30 H new ATOM 0 HG13 VAL A 15 -7.286 -0.101 -2.310 1.00 0.30 H new ATOM 0 HG21 VAL A 15 -4.829 1.447 -1.418 1.00 0.34 H new ATOM 0 HG22 VAL A 15 -4.783 0.038 -2.505 1.00 0.34 H new ATOM 0 HG23 VAL A 15 -4.031 1.571 -3.004 1.00 0.34 H new ATOM 215 N ASN A 16 -7.526 2.667 -5.976 1.00 0.24 N ATOM 216 CA ASN A 16 -8.651 3.171 -6.772 1.00 0.30 C ATOM 217 C ASN A 16 -8.858 2.280 -7.990 1.00 0.34 C ATOM 218 O ASN A 16 -9.970 2.073 -8.444 1.00 0.43 O ATOM 219 CB ASN A 16 -8.397 4.629 -7.216 1.00 0.37 C ATOM 220 CG ASN A 16 -9.446 5.147 -8.186 1.00 0.50 C ATOM 221 OD1 ASN A 16 -9.294 5.017 -9.394 1.00 0.95 O ATOM 222 ND2 ASN A 16 -10.486 5.741 -7.678 1.00 0.48 N ATOM 0 H ASN A 16 -6.687 3.243 -6.045 1.00 0.24 H new ATOM 0 HA ASN A 16 -9.550 3.154 -6.156 1.00 0.30 H new ATOM 0 HB2 ASN A 16 -8.375 5.272 -6.336 1.00 0.37 H new ATOM 0 HB3 ASN A 16 -7.414 4.694 -7.683 1.00 0.37 H new ATOM 0 HD21 ASN A 16 -11.209 6.117 -8.292 1.00 0.48 H new ATOM 0 HD22 ASN A 16 -10.579 5.831 -6.666 1.00 0.48 H new ATOM 229 N GLU A 17 -7.776 1.728 -8.476 1.00 0.37 N ATOM 230 CA GLU A 17 -7.801 0.822 -9.606 1.00 0.48 C ATOM 231 C GLU A 17 -8.496 -0.482 -9.178 1.00 0.47 C ATOM 232 O GLU A 17 -9.273 -1.069 -9.917 1.00 0.60 O ATOM 233 CB GLU A 17 -6.349 0.535 -10.023 1.00 0.63 C ATOM 234 CG GLU A 17 -6.179 -0.274 -11.285 1.00 1.05 C ATOM 235 CD GLU A 17 -6.621 0.479 -12.500 1.00 1.51 C ATOM 236 OE1 GLU A 17 -5.830 1.288 -13.011 1.00 1.70 O ATOM 237 OE2 GLU A 17 -7.762 0.286 -12.955 1.00 2.11 O ATOM 0 H GLU A 17 -6.843 1.893 -8.099 1.00 0.37 H new ATOM 0 HA GLU A 17 -8.344 1.258 -10.445 1.00 0.48 H new ATOM 0 HB2 GLU A 17 -5.832 1.486 -10.151 1.00 0.63 H new ATOM 0 HB3 GLU A 17 -5.853 0.010 -9.207 1.00 0.63 H new ATOM 0 HG2 GLU A 17 -5.132 -0.557 -11.395 1.00 1.05 H new ATOM 0 HG3 GLU A 17 -6.752 -1.198 -11.203 1.00 1.05 H new ATOM 244 N ILE A 18 -8.214 -0.886 -7.953 1.00 0.39 N ATOM 245 CA ILE A 18 -8.724 -2.118 -7.385 1.00 0.43 C ATOM 246 C ILE A 18 -10.147 -1.952 -6.796 1.00 0.44 C ATOM 247 O ILE A 18 -11.051 -2.721 -7.139 1.00 0.53 O ATOM 248 CB ILE A 18 -7.747 -2.625 -6.271 1.00 0.44 C ATOM 249 CG1 ILE A 18 -6.336 -2.858 -6.843 1.00 0.52 C ATOM 250 CG2 ILE A 18 -8.261 -3.891 -5.595 1.00 0.50 C ATOM 251 CD1 ILE A 18 -6.284 -3.829 -8.005 1.00 0.71 C ATOM 0 H ILE A 18 -7.616 -0.359 -7.317 1.00 0.39 H new ATOM 0 HA ILE A 18 -8.790 -2.848 -8.192 1.00 0.43 H new ATOM 0 HB ILE A 18 -7.694 -1.844 -5.512 1.00 0.44 H new ATOM 0 HG12 ILE A 18 -5.926 -1.901 -7.166 1.00 0.52 H new ATOM 0 HG13 ILE A 18 -5.691 -3.229 -6.046 1.00 0.52 H new ATOM 0 HG21 ILE A 18 -7.553 -4.208 -4.829 1.00 0.50 H new ATOM 0 HG22 ILE A 18 -9.228 -3.690 -5.134 1.00 0.50 H new ATOM 0 HG23 ILE A 18 -8.370 -4.681 -6.338 1.00 0.50 H new ATOM 0 HD11 ILE A 18 -5.254 -3.934 -8.346 1.00 0.71 H new ATOM 0 HD12 ILE A 18 -6.661 -4.800 -7.685 1.00 0.71 H new ATOM 0 HD13 ILE A 18 -6.899 -3.452 -8.822 1.00 0.71 H new ATOM 263 N ALA A 19 -10.336 -0.962 -5.927 1.00 0.40 N ATOM 264 CA ALA A 19 -11.599 -0.813 -5.192 1.00 0.46 C ATOM 265 C ALA A 19 -12.361 0.477 -5.511 1.00 0.45 C ATOM 266 O ALA A 19 -13.436 0.711 -4.964 1.00 0.68 O ATOM 267 CB ALA A 19 -11.325 -0.883 -3.711 1.00 0.52 C ATOM 0 H ALA A 19 -9.637 -0.251 -5.712 1.00 0.40 H new ATOM 0 HA ALA A 19 -12.241 -1.632 -5.515 1.00 0.46 H new ATOM 0 HB1 ALA A 19 -12.260 -0.773 -3.162 1.00 0.52 H new ATOM 0 HB2 ALA A 19 -10.874 -1.845 -3.470 1.00 0.52 H new ATOM 0 HB3 ALA A 19 -10.642 -0.081 -3.429 1.00 0.52 H new ATOM 273 N GLY A 20 -11.803 1.311 -6.353 1.00 0.44 N ATOM 274 CA GLY A 20 -12.480 2.543 -6.754 1.00 0.46 C ATOM 275 C GLY A 20 -12.631 3.583 -5.653 1.00 0.52 C ATOM 276 O GLY A 20 -13.556 4.378 -5.686 1.00 0.93 O ATOM 0 H GLY A 20 -10.887 1.170 -6.778 1.00 0.44 H new ATOM 0 HA2 GLY A 20 -11.929 2.990 -7.581 1.00 0.46 H new ATOM 0 HA3 GLY A 20 -13.471 2.289 -7.131 1.00 0.46 H new ATOM 280 N ILE A 21 -11.734 3.588 -4.685 1.00 0.38 N ATOM 281 CA ILE A 21 -11.809 4.583 -3.615 1.00 0.39 C ATOM 282 C ILE A 21 -11.237 5.920 -4.049 1.00 0.43 C ATOM 283 O ILE A 21 -10.380 5.975 -4.936 1.00 0.50 O ATOM 284 CB ILE A 21 -11.146 4.125 -2.265 1.00 0.39 C ATOM 285 CG1 ILE A 21 -9.795 3.410 -2.452 1.00 0.41 C ATOM 286 CG2 ILE A 21 -12.094 3.328 -1.401 1.00 0.60 C ATOM 287 CD1 ILE A 21 -8.645 4.307 -2.878 1.00 0.43 C ATOM 0 H ILE A 21 -10.957 2.931 -4.611 1.00 0.38 H new ATOM 0 HA ILE A 21 -12.875 4.696 -3.416 1.00 0.39 H new ATOM 0 HB ILE A 21 -10.920 5.046 -1.729 1.00 0.39 H new ATOM 0 HG12 ILE A 21 -9.527 2.922 -1.515 1.00 0.41 H new ATOM 0 HG13 ILE A 21 -9.918 2.624 -3.197 1.00 0.41 H new ATOM 0 HG21 ILE A 21 -11.589 3.035 -0.481 1.00 0.60 H new ATOM 0 HG22 ILE A 21 -12.965 3.937 -1.159 1.00 0.60 H new ATOM 0 HG23 ILE A 21 -12.414 2.436 -1.939 1.00 0.60 H new ATOM 0 HD11 ILE A 21 -7.738 3.711 -2.983 1.00 0.43 H new ATOM 0 HD12 ILE A 21 -8.884 4.776 -3.833 1.00 0.43 H new ATOM 0 HD13 ILE A 21 -8.487 5.079 -2.124 1.00 0.43 H new ATOM 299 N PRO A 22 -11.723 7.011 -3.476 1.00 0.52 N ATOM 300 CA PRO A 22 -11.158 8.315 -3.725 1.00 0.60 C ATOM 301 C PRO A 22 -9.781 8.434 -3.055 1.00 0.55 C ATOM 302 O PRO A 22 -9.564 7.923 -1.943 1.00 0.52 O ATOM 303 CB PRO A 22 -12.160 9.280 -3.087 1.00 0.74 C ATOM 304 CG PRO A 22 -12.889 8.473 -2.068 1.00 0.75 C ATOM 305 CD PRO A 22 -12.884 7.062 -2.564 1.00 0.63 C ATOM 0 HA PRO A 22 -11.003 8.517 -4.785 1.00 0.60 H new ATOM 0 HB2 PRO A 22 -11.652 10.128 -2.627 1.00 0.74 H new ATOM 0 HB3 PRO A 22 -12.845 9.685 -3.832 1.00 0.74 H new ATOM 0 HG2 PRO A 22 -12.402 8.544 -1.095 1.00 0.75 H new ATOM 0 HG3 PRO A 22 -13.909 8.837 -1.942 1.00 0.75 H new ATOM 0 HD2 PRO A 22 -12.780 6.351 -1.745 1.00 0.63 H new ATOM 0 HD3 PRO A 22 -13.811 6.817 -3.083 1.00 0.63 H new ATOM 313 N VAL A 23 -8.875 9.140 -3.692 1.00 0.62 N ATOM 314 CA VAL A 23 -7.500 9.244 -3.205 1.00 0.65 C ATOM 315 C VAL A 23 -7.352 10.258 -2.077 1.00 0.73 C ATOM 316 O VAL A 23 -6.247 10.545 -1.606 1.00 1.02 O ATOM 317 CB VAL A 23 -6.484 9.544 -4.337 1.00 0.78 C ATOM 318 CG1 VAL A 23 -6.520 8.434 -5.372 1.00 1.48 C ATOM 319 CG2 VAL A 23 -6.767 10.897 -4.990 1.00 1.35 C ATOM 0 H VAL A 23 -9.057 9.656 -4.553 1.00 0.62 H new ATOM 0 HA VAL A 23 -7.265 8.259 -2.801 1.00 0.65 H new ATOM 0 HB VAL A 23 -5.487 9.590 -3.900 1.00 0.78 H new ATOM 0 HG11 VAL A 23 -5.804 8.652 -6.164 1.00 1.48 H new ATOM 0 HG12 VAL A 23 -6.261 7.487 -4.899 1.00 1.48 H new ATOM 0 HG13 VAL A 23 -7.521 8.365 -5.797 1.00 1.48 H new ATOM 0 HG21 VAL A 23 -6.038 11.079 -5.780 1.00 1.35 H new ATOM 0 HG22 VAL A 23 -7.770 10.893 -5.416 1.00 1.35 H new ATOM 0 HG23 VAL A 23 -6.694 11.685 -4.240 1.00 1.35 H new ATOM 329 N GLU A 24 -8.470 10.749 -1.609 1.00 0.66 N ATOM 330 CA GLU A 24 -8.492 11.689 -0.515 1.00 0.76 C ATOM 331 C GLU A 24 -8.853 10.941 0.752 1.00 0.69 C ATOM 332 O GLU A 24 -8.652 11.431 1.858 1.00 0.80 O ATOM 333 CB GLU A 24 -9.557 12.739 -0.742 1.00 0.99 C ATOM 334 CG GLU A 24 -9.600 13.342 -2.126 1.00 1.22 C ATOM 335 CD GLU A 24 -10.708 14.346 -2.223 1.00 1.54 C ATOM 336 OE1 GLU A 24 -11.886 13.961 -2.056 1.00 2.03 O ATOM 337 OE2 GLU A 24 -10.432 15.540 -2.416 1.00 1.89 O ATOM 0 H GLU A 24 -9.392 10.509 -1.974 1.00 0.66 H new ATOM 0 HA GLU A 24 -7.514 12.165 -0.439 1.00 0.76 H new ATOM 0 HB2 GLU A 24 -10.530 12.295 -0.529 1.00 0.99 H new ATOM 0 HB3 GLU A 24 -9.408 13.542 -0.020 1.00 0.99 H new ATOM 0 HG2 GLU A 24 -8.647 13.820 -2.351 1.00 1.22 H new ATOM 0 HG3 GLU A 24 -9.746 12.557 -2.868 1.00 1.22 H new ATOM 344 N ASP A 25 -9.406 9.746 0.575 1.00 0.60 N ATOM 345 CA ASP A 25 -9.870 8.949 1.698 1.00 0.64 C ATOM 346 C ASP A 25 -8.694 8.309 2.385 1.00 0.55 C ATOM 347 O ASP A 25 -8.588 8.311 3.604 1.00 0.58 O ATOM 348 CB ASP A 25 -10.835 7.844 1.233 1.00 0.72 C ATOM 349 CG ASP A 25 -11.471 7.131 2.406 1.00 0.90 C ATOM 350 OD1 ASP A 25 -12.517 7.586 2.916 1.00 1.07 O ATOM 351 OD2 ASP A 25 -10.939 6.077 2.824 1.00 0.98 O ATOM 0 H ASP A 25 -9.543 9.310 -0.337 1.00 0.60 H new ATOM 0 HA ASP A 25 -10.397 9.610 2.386 1.00 0.64 H new ATOM 0 HB2 ASP A 25 -11.613 8.280 0.606 1.00 0.72 H new ATOM 0 HB3 ASP A 25 -10.295 7.124 0.618 1.00 0.72 H new ATOM 356 N VAL A 26 -7.806 7.783 1.579 1.00 0.51 N ATOM 357 CA VAL A 26 -6.640 7.076 2.046 1.00 0.47 C ATOM 358 C VAL A 26 -5.633 8.028 2.688 1.00 0.47 C ATOM 359 O VAL A 26 -4.904 8.755 2.008 1.00 0.51 O ATOM 360 CB VAL A 26 -5.980 6.275 0.896 1.00 0.51 C ATOM 361 CG1 VAL A 26 -4.815 5.433 1.410 1.00 0.73 C ATOM 362 CG2 VAL A 26 -7.011 5.387 0.222 1.00 0.70 C ATOM 0 H VAL A 26 -7.874 7.835 0.563 1.00 0.51 H new ATOM 0 HA VAL A 26 -6.967 6.370 2.810 1.00 0.47 H new ATOM 0 HB VAL A 26 -5.588 6.985 0.168 1.00 0.51 H new ATOM 0 HG11 VAL A 26 -4.371 4.882 0.581 1.00 0.73 H new ATOM 0 HG12 VAL A 26 -4.064 6.085 1.856 1.00 0.73 H new ATOM 0 HG13 VAL A 26 -5.177 4.730 2.160 1.00 0.73 H new ATOM 0 HG21 VAL A 26 -6.538 4.828 -0.585 1.00 0.70 H new ATOM 0 HG22 VAL A 26 -7.424 4.691 0.952 1.00 0.70 H new ATOM 0 HG23 VAL A 26 -7.812 6.004 -0.185 1.00 0.70 H new ATOM 372 N LYS A 27 -5.743 8.117 3.980 1.00 0.49 N ATOM 373 CA LYS A 27 -4.814 8.805 4.836 1.00 0.54 C ATOM 374 C LYS A 27 -4.025 7.746 5.584 1.00 0.47 C ATOM 375 O LYS A 27 -4.068 6.582 5.208 1.00 0.51 O ATOM 376 CB LYS A 27 -5.573 9.723 5.798 1.00 0.65 C ATOM 377 CG LYS A 27 -6.280 10.881 5.110 1.00 0.83 C ATOM 378 CD LYS A 27 -5.273 11.790 4.423 1.00 1.53 C ATOM 379 CE LYS A 27 -5.941 12.946 3.708 1.00 2.02 C ATOM 380 NZ LYS A 27 -4.946 13.840 3.089 1.00 2.83 N ATOM 0 H LYS A 27 -6.517 7.694 4.492 1.00 0.49 H new ATOM 0 HA LYS A 27 -4.135 9.435 4.261 1.00 0.54 H new ATOM 0 HB2 LYS A 27 -6.309 9.133 6.344 1.00 0.65 H new ATOM 0 HB3 LYS A 27 -4.874 10.121 6.533 1.00 0.65 H new ATOM 0 HG2 LYS A 27 -6.990 10.497 4.378 1.00 0.83 H new ATOM 0 HG3 LYS A 27 -6.853 11.451 5.842 1.00 0.83 H new ATOM 0 HD2 LYS A 27 -4.573 12.178 5.163 1.00 1.53 H new ATOM 0 HD3 LYS A 27 -4.691 11.209 3.707 1.00 1.53 H new ATOM 0 HE2 LYS A 27 -6.614 12.562 2.942 1.00 2.02 H new ATOM 0 HE3 LYS A 27 -6.550 13.510 4.414 1.00 2.02 H new ATOM 0 HZ1 LYS A 27 -5.434 14.622 2.607 1.00 2.83 H new ATOM 0 HZ2 LYS A 27 -4.319 14.224 3.825 1.00 2.83 H new ATOM 0 HZ3 LYS A 27 -4.382 13.306 2.398 1.00 2.83 H new ATOM 394 N LEU A 28 -3.354 8.125 6.636 1.00 0.49 N ATOM 395 CA LEU A 28 -2.470 7.218 7.358 1.00 0.47 C ATOM 396 C LEU A 28 -3.234 6.212 8.207 1.00 0.50 C ATOM 397 O LEU A 28 -2.795 5.069 8.389 1.00 0.56 O ATOM 398 CB LEU A 28 -1.498 8.032 8.187 1.00 0.54 C ATOM 399 CG LEU A 28 -0.573 8.915 7.359 1.00 0.53 C ATOM 400 CD1 LEU A 28 0.169 9.879 8.236 1.00 1.07 C ATOM 401 CD2 LEU A 28 0.399 8.060 6.578 1.00 0.99 C ATOM 0 H LEU A 28 -3.396 9.067 7.026 1.00 0.49 H new ATOM 0 HA LEU A 28 -1.914 6.624 6.632 1.00 0.47 H new ATOM 0 HB2 LEU A 28 -2.061 8.659 8.878 1.00 0.54 H new ATOM 0 HB3 LEU A 28 -0.894 7.355 8.791 1.00 0.54 H new ATOM 0 HG LEU A 28 -1.180 9.490 6.659 1.00 0.53 H new ATOM 0 HD11 LEU A 28 0.823 10.499 7.623 1.00 1.07 H new ATOM 0 HD12 LEU A 28 -0.543 10.514 8.763 1.00 1.07 H new ATOM 0 HD13 LEU A 28 0.767 9.326 8.960 1.00 1.07 H new ATOM 0 HD21 LEU A 28 1.056 8.701 5.989 1.00 0.99 H new ATOM 0 HD22 LEU A 28 0.996 7.465 7.269 1.00 0.99 H new ATOM 0 HD23 LEU A 28 -0.153 7.397 5.912 1.00 0.99 H new ATOM 413 N ASP A 29 -4.379 6.606 8.696 1.00 0.56 N ATOM 414 CA ASP A 29 -5.209 5.715 9.492 1.00 0.65 C ATOM 415 C ASP A 29 -6.134 4.927 8.604 1.00 0.61 C ATOM 416 O ASP A 29 -7.356 5.073 8.642 1.00 1.03 O ATOM 417 CB ASP A 29 -5.989 6.451 10.585 1.00 0.87 C ATOM 418 CG ASP A 29 -5.083 7.107 11.578 1.00 1.73 C ATOM 419 OD1 ASP A 29 -4.549 6.395 12.466 1.00 2.34 O ATOM 420 OD2 ASP A 29 -4.917 8.354 11.526 1.00 2.47 O ATOM 0 H ASP A 29 -4.767 7.540 8.562 1.00 0.56 H new ATOM 0 HA ASP A 29 -4.539 5.025 10.005 1.00 0.65 H new ATOM 0 HB2 ASP A 29 -6.630 7.204 10.127 1.00 0.87 H new ATOM 0 HB3 ASP A 29 -6.642 5.747 11.101 1.00 0.87 H new ATOM 425 N LYS A 30 -5.534 4.162 7.744 1.00 0.43 N ATOM 426 CA LYS A 30 -6.216 3.301 6.817 1.00 0.39 C ATOM 427 C LYS A 30 -5.490 1.992 6.783 1.00 0.38 C ATOM 428 O LYS A 30 -4.299 1.934 7.097 1.00 0.57 O ATOM 429 CB LYS A 30 -6.249 3.923 5.413 1.00 0.44 C ATOM 430 CG LYS A 30 -7.030 5.217 5.341 1.00 0.51 C ATOM 431 CD LYS A 30 -8.528 4.991 5.481 1.00 0.75 C ATOM 432 CE LYS A 30 -9.247 6.306 5.688 1.00 0.98 C ATOM 433 NZ LYS A 30 -10.703 6.192 5.507 1.00 1.06 N ATOM 0 H LYS A 30 -4.518 4.116 7.663 1.00 0.43 H new ATOM 0 HA LYS A 30 -7.248 3.158 7.138 1.00 0.39 H new ATOM 0 HB2 LYS A 30 -5.227 4.107 5.082 1.00 0.44 H new ATOM 0 HB3 LYS A 30 -6.685 3.206 4.717 1.00 0.44 H new ATOM 0 HG2 LYS A 30 -6.690 5.889 6.129 1.00 0.51 H new ATOM 0 HG3 LYS A 30 -6.826 5.711 4.391 1.00 0.51 H new ATOM 0 HD2 LYS A 30 -8.912 4.497 4.588 1.00 0.75 H new ATOM 0 HD3 LYS A 30 -8.724 4.327 6.322 1.00 0.75 H new ATOM 0 HE2 LYS A 30 -9.038 6.676 6.692 1.00 0.98 H new ATOM 0 HE3 LYS A 30 -8.855 7.044 4.988 1.00 0.98 H new ATOM 0 HZ1 LYS A 30 -11.134 7.137 5.559 1.00 1.06 H new ATOM 0 HZ2 LYS A 30 -10.905 5.770 4.578 1.00 1.06 H new ATOM 0 HZ3 LYS A 30 -11.100 5.588 6.255 1.00 1.06 H new ATOM 447 N SER A 31 -6.172 0.971 6.401 1.00 0.46 N ATOM 448 CA SER A 31 -5.645 -0.347 6.366 1.00 0.44 C ATOM 449 C SER A 31 -6.179 -1.024 5.131 1.00 0.45 C ATOM 450 O SER A 31 -7.156 -0.558 4.568 1.00 0.57 O ATOM 451 CB SER A 31 -6.051 -1.063 7.632 1.00 0.49 C ATOM 452 OG SER A 31 -7.438 -0.892 7.874 1.00 1.31 O ATOM 0 H SER A 31 -7.143 1.032 6.094 1.00 0.46 H new ATOM 0 HA SER A 31 -4.556 -0.352 6.319 1.00 0.44 H new ATOM 0 HB2 SER A 31 -5.818 -2.125 7.547 1.00 0.49 H new ATOM 0 HB3 SER A 31 -5.478 -0.677 8.475 1.00 0.49 H new ATOM 0 HG SER A 31 -7.575 -0.597 8.798 1.00 1.31 H new ATOM 458 N PHE A 32 -5.607 -2.132 4.754 1.00 0.41 N ATOM 459 CA PHE A 32 -5.881 -2.741 3.463 1.00 0.46 C ATOM 460 C PHE A 32 -7.052 -3.705 3.487 1.00 0.55 C ATOM 461 O PHE A 32 -7.171 -4.566 2.628 1.00 1.03 O ATOM 462 CB PHE A 32 -4.607 -3.395 2.959 1.00 0.51 C ATOM 463 CG PHE A 32 -3.492 -2.399 2.747 1.00 0.50 C ATOM 464 CD1 PHE A 32 -3.354 -1.731 1.538 1.00 0.55 C ATOM 465 CD2 PHE A 32 -2.574 -2.145 3.755 1.00 0.52 C ATOM 466 CE1 PHE A 32 -2.326 -0.834 1.343 1.00 0.59 C ATOM 467 CE2 PHE A 32 -1.545 -1.249 3.565 1.00 0.58 C ATOM 468 CZ PHE A 32 -1.462 -0.547 2.357 1.00 0.60 C ATOM 0 H PHE A 32 -4.936 -2.646 5.325 1.00 0.41 H new ATOM 0 HA PHE A 32 -6.190 -1.958 2.771 1.00 0.46 H new ATOM 0 HB2 PHE A 32 -4.283 -4.152 3.674 1.00 0.51 H new ATOM 0 HB3 PHE A 32 -4.813 -3.910 2.021 1.00 0.51 H new ATOM 0 HD1 PHE A 32 -4.060 -1.916 0.742 1.00 0.55 H new ATOM 0 HD2 PHE A 32 -2.667 -2.656 4.702 1.00 0.52 H new ATOM 0 HE1 PHE A 32 -2.205 -0.356 0.382 1.00 0.59 H new ATOM 0 HE2 PHE A 32 -0.810 -1.090 4.340 1.00 0.58 H new ATOM 0 HZ PHE A 32 -0.714 0.221 2.229 1.00 0.60 H new ATOM 478 N THR A 33 -7.920 -3.522 4.449 1.00 0.47 N ATOM 479 CA THR A 33 -9.146 -4.268 4.534 1.00 0.50 C ATOM 480 C THR A 33 -10.116 -3.617 5.532 1.00 0.60 C ATOM 481 O THR A 33 -11.245 -3.294 5.165 1.00 1.13 O ATOM 482 CB THR A 33 -8.936 -5.828 4.772 1.00 0.65 C ATOM 483 OG1 THR A 33 -10.166 -6.488 5.121 1.00 1.37 O ATOM 484 CG2 THR A 33 -7.867 -6.144 5.812 1.00 1.21 C ATOM 0 H THR A 33 -7.793 -2.845 5.201 1.00 0.47 H new ATOM 0 HA THR A 33 -9.615 -4.218 3.551 1.00 0.50 H new ATOM 0 HB THR A 33 -8.584 -6.215 3.816 1.00 0.65 H new ATOM 0 HG1 THR A 33 -9.997 -7.444 5.258 1.00 1.37 H new ATOM 0 HG21 THR A 33 -7.776 -7.224 5.924 1.00 1.21 H new ATOM 0 HG22 THR A 33 -6.911 -5.731 5.489 1.00 1.21 H new ATOM 0 HG23 THR A 33 -8.148 -5.703 6.768 1.00 1.21 H new ATOM 492 N ASP A 34 -9.676 -3.382 6.769 1.00 0.55 N ATOM 493 CA ASP A 34 -10.569 -2.794 7.788 1.00 0.60 C ATOM 494 C ASP A 34 -11.029 -1.383 7.420 1.00 0.58 C ATOM 495 O ASP A 34 -12.214 -1.094 7.441 1.00 0.75 O ATOM 496 CB ASP A 34 -9.930 -2.812 9.184 1.00 0.72 C ATOM 497 CG ASP A 34 -10.816 -2.200 10.265 1.00 1.46 C ATOM 498 OD1 ASP A 34 -11.881 -2.769 10.577 1.00 1.58 O ATOM 499 OD2 ASP A 34 -10.476 -1.128 10.792 1.00 2.31 O ATOM 0 H ASP A 34 -8.729 -3.582 7.092 1.00 0.55 H new ATOM 0 HA ASP A 34 -11.456 -3.426 7.814 1.00 0.60 H new ATOM 0 HB2 ASP A 34 -9.697 -3.842 9.456 1.00 0.72 H new ATOM 0 HB3 ASP A 34 -8.985 -2.270 9.150 1.00 0.72 H new ATOM 504 N ASP A 35 -10.102 -0.520 7.057 1.00 0.48 N ATOM 505 CA ASP A 35 -10.456 0.868 6.705 1.00 0.50 C ATOM 506 C ASP A 35 -10.585 1.104 5.213 1.00 0.56 C ATOM 507 O ASP A 35 -10.826 2.238 4.785 1.00 0.86 O ATOM 508 CB ASP A 35 -9.478 1.901 7.288 1.00 0.47 C ATOM 509 CG ASP A 35 -9.703 2.230 8.735 1.00 0.99 C ATOM 510 OD1 ASP A 35 -10.739 2.824 9.069 1.00 1.67 O ATOM 511 OD2 ASP A 35 -8.864 1.835 9.588 1.00 1.47 O ATOM 0 H ASP A 35 -9.107 -0.737 6.994 1.00 0.48 H new ATOM 0 HA ASP A 35 -11.437 1.009 7.159 1.00 0.50 H new ATOM 0 HB2 ASP A 35 -8.461 1.527 7.168 1.00 0.47 H new ATOM 0 HB3 ASP A 35 -9.550 2.819 6.705 1.00 0.47 H new ATOM 516 N LEU A 36 -10.425 0.082 4.411 1.00 0.44 N ATOM 517 CA LEU A 36 -10.538 0.259 2.969 1.00 0.49 C ATOM 518 C LEU A 36 -11.552 -0.667 2.340 1.00 0.53 C ATOM 519 O LEU A 36 -12.023 -1.620 2.962 1.00 0.64 O ATOM 520 CB LEU A 36 -9.184 0.168 2.242 1.00 0.51 C ATOM 521 CG LEU A 36 -8.210 1.329 2.472 1.00 0.59 C ATOM 522 CD1 LEU A 36 -6.912 1.099 1.711 1.00 0.65 C ATOM 523 CD2 LEU A 36 -8.842 2.638 2.047 1.00 0.69 C ATOM 0 H LEU A 36 -10.219 -0.869 4.716 1.00 0.44 H new ATOM 0 HA LEU A 36 -10.905 1.277 2.840 1.00 0.49 H new ATOM 0 HB2 LEU A 36 -8.693 -0.756 2.548 1.00 0.51 H new ATOM 0 HB3 LEU A 36 -9.375 0.089 1.172 1.00 0.51 H new ATOM 0 HG LEU A 36 -7.981 1.380 3.537 1.00 0.59 H new ATOM 0 HD11 LEU A 36 -6.234 1.934 1.887 1.00 0.65 H new ATOM 0 HD12 LEU A 36 -6.447 0.175 2.055 1.00 0.65 H new ATOM 0 HD13 LEU A 36 -7.124 1.023 0.645 1.00 0.65 H new ATOM 0 HD21 LEU A 36 -8.139 3.453 2.216 1.00 0.69 H new ATOM 0 HD22 LEU A 36 -9.097 2.592 0.988 1.00 0.69 H new ATOM 0 HD23 LEU A 36 -9.746 2.812 2.630 1.00 0.69 H new ATOM 535 N ASP A 37 -11.852 -0.385 1.089 1.00 0.63 N ATOM 536 CA ASP A 37 -12.875 -1.113 0.305 1.00 0.76 C ATOM 537 C ASP A 37 -12.260 -2.378 -0.261 1.00 0.78 C ATOM 538 O ASP A 37 -12.947 -3.287 -0.711 1.00 1.33 O ATOM 539 CB ASP A 37 -13.371 -0.211 -0.850 1.00 1.14 C ATOM 540 CG ASP A 37 -14.584 -0.745 -1.630 1.00 1.49 C ATOM 541 OD1 ASP A 37 -14.390 -1.659 -2.476 1.00 1.96 O ATOM 542 OD2 ASP A 37 -15.742 -0.328 -1.374 1.00 2.15 O ATOM 0 H ASP A 37 -11.396 0.363 0.566 1.00 0.63 H new ATOM 0 HA ASP A 37 -13.717 -1.374 0.946 1.00 0.76 H new ATOM 0 HB2 ASP A 37 -13.625 0.767 -0.441 1.00 1.14 H new ATOM 0 HB3 ASP A 37 -12.549 -0.060 -1.549 1.00 1.14 H new ATOM 547 N VAL A 38 -10.946 -2.437 -0.198 1.00 0.65 N ATOM 548 CA VAL A 38 -10.221 -3.538 -0.712 1.00 0.96 C ATOM 549 C VAL A 38 -10.323 -4.712 0.194 1.00 0.89 C ATOM 550 O VAL A 38 -10.152 -4.607 1.416 1.00 1.43 O ATOM 551 CB VAL A 38 -8.727 -3.218 -0.988 1.00 1.60 C ATOM 552 CG1 VAL A 38 -8.581 -2.408 -2.241 1.00 2.23 C ATOM 553 CG2 VAL A 38 -8.074 -2.490 0.178 1.00 2.14 C ATOM 0 H VAL A 38 -10.365 -1.709 0.217 1.00 0.65 H new ATOM 0 HA VAL A 38 -10.681 -3.773 -1.672 1.00 0.96 H new ATOM 0 HB VAL A 38 -8.215 -4.172 -1.115 1.00 1.60 H new ATOM 0 HG11 VAL A 38 -7.526 -2.195 -2.416 1.00 2.23 H new ATOM 0 HG12 VAL A 38 -8.983 -2.968 -3.085 1.00 2.23 H new ATOM 0 HG13 VAL A 38 -9.128 -1.471 -2.134 1.00 2.23 H new ATOM 0 HG21 VAL A 38 -7.030 -2.287 -0.059 1.00 2.14 H new ATOM 0 HG22 VAL A 38 -8.595 -1.550 0.358 1.00 2.14 H new ATOM 0 HG23 VAL A 38 -8.129 -3.112 1.072 1.00 2.14 H new ATOM 563 N ASP A 39 -10.720 -5.787 -0.382 1.00 0.82 N ATOM 564 CA ASP A 39 -10.709 -7.044 0.280 1.00 1.15 C ATOM 565 C ASP A 39 -9.267 -7.468 0.354 1.00 1.18 C ATOM 566 O ASP A 39 -8.459 -7.025 -0.472 1.00 2.04 O ATOM 567 CB ASP A 39 -11.530 -8.055 -0.506 1.00 1.60 C ATOM 568 CG ASP A 39 -13.007 -7.747 -0.503 1.00 2.37 C ATOM 569 OD1 ASP A 39 -13.722 -8.115 0.453 1.00 2.78 O ATOM 570 OD2 ASP A 39 -13.482 -7.106 -1.446 1.00 2.96 O ATOM 0 H ASP A 39 -11.067 -5.822 -1.340 1.00 0.82 H new ATOM 0 HA ASP A 39 -11.147 -6.978 1.276 1.00 1.15 H new ATOM 0 HB2 ASP A 39 -11.173 -8.083 -1.535 1.00 1.60 H new ATOM 0 HB3 ASP A 39 -11.371 -9.048 -0.086 1.00 1.60 H new ATOM 575 N SER A 40 -8.929 -8.304 1.284 1.00 0.85 N ATOM 576 CA SER A 40 -7.550 -8.670 1.486 1.00 0.86 C ATOM 577 C SER A 40 -6.998 -9.416 0.270 1.00 0.74 C ATOM 578 O SER A 40 -5.974 -9.025 -0.296 1.00 0.81 O ATOM 579 CB SER A 40 -7.422 -9.474 2.750 1.00 1.19 C ATOM 580 OG SER A 40 -8.248 -10.664 2.656 1.00 1.18 O ATOM 0 H SER A 40 -9.587 -8.752 1.922 1.00 0.85 H new ATOM 0 HA SER A 40 -6.950 -7.767 1.597 1.00 0.86 H new ATOM 0 HB2 SER A 40 -6.381 -9.754 2.911 1.00 1.19 H new ATOM 0 HB3 SER A 40 -7.727 -8.874 3.607 1.00 1.19 H new ATOM 0 HG SER A 40 -8.162 -11.188 3.480 1.00 1.18 H new ATOM 585 N LEU A 41 -7.735 -10.416 -0.200 1.00 0.71 N ATOM 586 CA LEU A 41 -7.310 -11.179 -1.366 1.00 0.70 C ATOM 587 C LEU A 41 -7.218 -10.282 -2.612 1.00 0.65 C ATOM 588 O LEU A 41 -6.473 -10.570 -3.552 1.00 0.71 O ATOM 589 CB LEU A 41 -8.216 -12.403 -1.644 1.00 0.83 C ATOM 590 CG LEU A 41 -8.033 -13.640 -0.735 1.00 1.01 C ATOM 591 CD1 LEU A 41 -8.446 -13.377 0.697 1.00 1.29 C ATOM 592 CD2 LEU A 41 -8.784 -14.830 -1.297 1.00 1.34 C ATOM 0 H LEU A 41 -8.622 -10.715 0.205 1.00 0.71 H new ATOM 0 HA LEU A 41 -6.316 -11.564 -1.136 1.00 0.70 H new ATOM 0 HB2 LEU A 41 -9.254 -12.079 -1.568 1.00 0.83 H new ATOM 0 HB3 LEU A 41 -8.054 -12.715 -2.676 1.00 0.83 H new ATOM 0 HG LEU A 41 -6.967 -13.867 -0.720 1.00 1.01 H new ATOM 0 HD11 LEU A 41 -8.297 -14.279 1.290 1.00 1.29 H new ATOM 0 HD12 LEU A 41 -7.841 -12.568 1.107 1.00 1.29 H new ATOM 0 HD13 LEU A 41 -9.498 -13.094 0.726 1.00 1.29 H new ATOM 0 HD21 LEU A 41 -8.643 -15.691 -0.643 1.00 1.34 H new ATOM 0 HD22 LEU A 41 -9.846 -14.593 -1.361 1.00 1.34 H new ATOM 0 HD23 LEU A 41 -8.404 -15.063 -2.292 1.00 1.34 H new ATOM 604 N SER A 42 -7.947 -9.183 -2.584 1.00 0.65 N ATOM 605 CA SER A 42 -7.963 -8.217 -3.650 1.00 0.66 C ATOM 606 C SER A 42 -6.744 -7.273 -3.536 1.00 0.50 C ATOM 607 O SER A 42 -6.170 -6.846 -4.544 1.00 0.47 O ATOM 608 CB SER A 42 -9.253 -7.424 -3.555 1.00 0.84 C ATOM 609 OG SER A 42 -10.382 -8.301 -3.547 1.00 1.26 O ATOM 0 H SER A 42 -8.554 -8.938 -1.802 1.00 0.65 H new ATOM 0 HA SER A 42 -7.907 -8.724 -4.613 1.00 0.66 H new ATOM 0 HB2 SER A 42 -9.249 -6.819 -2.648 1.00 0.84 H new ATOM 0 HB3 SER A 42 -9.326 -6.736 -4.397 1.00 0.84 H new ATOM 0 HG SER A 42 -11.204 -7.777 -3.645 1.00 1.26 H new ATOM 615 N MET A 43 -6.334 -6.987 -2.295 1.00 0.45 N ATOM 616 CA MET A 43 -5.201 -6.107 -1.998 1.00 0.35 C ATOM 617 C MET A 43 -3.920 -6.674 -2.589 1.00 0.30 C ATOM 618 O MET A 43 -3.013 -5.940 -2.954 1.00 0.27 O ATOM 619 CB MET A 43 -5.077 -5.917 -0.473 1.00 0.39 C ATOM 620 CG MET A 43 -4.080 -4.851 -0.010 1.00 0.47 C ATOM 621 SD MET A 43 -2.323 -5.278 -0.171 1.00 0.97 S ATOM 622 CE MET A 43 -2.202 -6.710 0.894 1.00 0.54 C ATOM 0 H MET A 43 -6.785 -7.364 -1.461 1.00 0.45 H new ATOM 0 HA MET A 43 -5.373 -5.132 -2.454 1.00 0.35 H new ATOM 0 HB2 MET A 43 -6.060 -5.663 -0.077 1.00 0.39 H new ATOM 0 HB3 MET A 43 -4.791 -6.871 -0.030 1.00 0.39 H new ATOM 0 HG2 MET A 43 -4.265 -3.939 -0.577 1.00 0.47 H new ATOM 0 HG3 MET A 43 -4.283 -4.622 1.036 1.00 0.47 H new ATOM 0 HE1 MET A 43 -1.157 -6.887 1.149 1.00 0.54 H new ATOM 0 HE2 MET A 43 -2.773 -6.535 1.806 1.00 0.54 H new ATOM 0 HE3 MET A 43 -2.602 -7.583 0.377 1.00 0.54 H new ATOM 632 N VAL A 44 -3.883 -7.971 -2.752 1.00 0.36 N ATOM 633 CA VAL A 44 -2.732 -8.651 -3.329 1.00 0.39 C ATOM 634 C VAL A 44 -2.392 -8.087 -4.745 1.00 0.37 C ATOM 635 O VAL A 44 -1.242 -8.126 -5.183 1.00 0.42 O ATOM 636 CB VAL A 44 -2.945 -10.191 -3.363 1.00 0.54 C ATOM 637 CG1 VAL A 44 -1.685 -10.927 -3.802 1.00 0.65 C ATOM 638 CG2 VAL A 44 -3.407 -10.690 -1.999 1.00 0.57 C ATOM 0 H VAL A 44 -4.647 -8.595 -2.491 1.00 0.36 H new ATOM 0 HA VAL A 44 -1.874 -8.455 -2.686 1.00 0.39 H new ATOM 0 HB VAL A 44 -3.720 -10.402 -4.100 1.00 0.54 H new ATOM 0 HG11 VAL A 44 -1.876 -12.000 -3.813 1.00 0.65 H new ATOM 0 HG12 VAL A 44 -1.402 -10.599 -4.802 1.00 0.65 H new ATOM 0 HG13 VAL A 44 -0.875 -10.709 -3.106 1.00 0.65 H new ATOM 0 HG21 VAL A 44 -3.552 -11.770 -2.037 1.00 0.57 H new ATOM 0 HG22 VAL A 44 -2.652 -10.451 -1.250 1.00 0.57 H new ATOM 0 HG23 VAL A 44 -4.347 -10.206 -1.734 1.00 0.57 H new ATOM 648 N GLU A 45 -3.380 -7.494 -5.407 1.00 0.37 N ATOM 649 CA GLU A 45 -3.171 -6.895 -6.712 1.00 0.38 C ATOM 650 C GLU A 45 -2.584 -5.474 -6.598 1.00 0.31 C ATOM 651 O GLU A 45 -1.868 -5.022 -7.490 1.00 0.37 O ATOM 652 CB GLU A 45 -4.466 -6.884 -7.520 1.00 0.46 C ATOM 653 CG GLU A 45 -5.033 -8.267 -7.787 1.00 0.64 C ATOM 654 CD GLU A 45 -4.089 -9.144 -8.576 1.00 1.21 C ATOM 655 OE1 GLU A 45 -3.202 -9.780 -7.977 1.00 2.06 O ATOM 656 OE2 GLU A 45 -4.209 -9.211 -9.817 1.00 1.31 O ATOM 0 H GLU A 45 -4.335 -7.417 -5.056 1.00 0.37 H new ATOM 0 HA GLU A 45 -2.443 -7.510 -7.241 1.00 0.38 H new ATOM 0 HB2 GLU A 45 -5.211 -6.293 -6.987 1.00 0.46 H new ATOM 0 HB3 GLU A 45 -4.285 -6.386 -8.472 1.00 0.46 H new ATOM 0 HG2 GLU A 45 -5.263 -8.750 -6.837 1.00 0.64 H new ATOM 0 HG3 GLU A 45 -5.973 -8.171 -8.331 1.00 0.64 H new ATOM 663 N VAL A 46 -2.867 -4.773 -5.501 1.00 0.30 N ATOM 664 CA VAL A 46 -2.321 -3.438 -5.324 1.00 0.30 C ATOM 665 C VAL A 46 -0.912 -3.497 -4.749 1.00 0.29 C ATOM 666 O VAL A 46 -0.045 -2.726 -5.154 1.00 0.39 O ATOM 667 CB VAL A 46 -3.257 -2.471 -4.489 1.00 0.51 C ATOM 668 CG1 VAL A 46 -3.562 -2.990 -3.108 1.00 0.91 C ATOM 669 CG2 VAL A 46 -2.675 -1.070 -4.390 1.00 1.43 C ATOM 0 H VAL A 46 -3.459 -5.102 -4.739 1.00 0.30 H new ATOM 0 HA VAL A 46 -2.268 -2.997 -6.319 1.00 0.30 H new ATOM 0 HB VAL A 46 -4.195 -2.430 -5.042 1.00 0.51 H new ATOM 0 HG11 VAL A 46 -4.207 -2.282 -2.588 1.00 0.91 H new ATOM 0 HG12 VAL A 46 -4.067 -3.953 -3.185 1.00 0.91 H new ATOM 0 HG13 VAL A 46 -2.633 -3.111 -2.551 1.00 0.91 H new ATOM 0 HG21 VAL A 46 -3.347 -0.437 -3.810 1.00 1.43 H new ATOM 0 HG22 VAL A 46 -1.703 -1.114 -3.899 1.00 1.43 H new ATOM 0 HG23 VAL A 46 -2.558 -0.653 -5.390 1.00 1.43 H new ATOM 679 N VAL A 47 -0.665 -4.454 -3.856 1.00 0.28 N ATOM 680 CA VAL A 47 0.657 -4.585 -3.241 1.00 0.33 C ATOM 681 C VAL A 47 1.748 -4.888 -4.293 1.00 0.31 C ATOM 682 O VAL A 47 2.818 -4.275 -4.282 1.00 0.35 O ATOM 683 CB VAL A 47 0.678 -5.625 -2.065 1.00 0.41 C ATOM 684 CG1 VAL A 47 0.328 -7.032 -2.511 1.00 0.39 C ATOM 685 CG2 VAL A 47 2.009 -5.610 -1.343 1.00 0.53 C ATOM 0 H VAL A 47 -1.351 -5.142 -3.545 1.00 0.28 H new ATOM 0 HA VAL A 47 0.889 -3.616 -2.798 1.00 0.33 H new ATOM 0 HB VAL A 47 -0.101 -5.312 -1.370 1.00 0.41 H new ATOM 0 HG11 VAL A 47 0.360 -7.704 -1.653 1.00 0.39 H new ATOM 0 HG12 VAL A 47 -0.674 -7.039 -2.941 1.00 0.39 H new ATOM 0 HG13 VAL A 47 1.046 -7.366 -3.260 1.00 0.39 H new ATOM 0 HG21 VAL A 47 1.992 -6.341 -0.534 1.00 0.53 H new ATOM 0 HG22 VAL A 47 2.806 -5.862 -2.043 1.00 0.53 H new ATOM 0 HG23 VAL A 47 2.188 -4.617 -0.931 1.00 0.53 H new ATOM 695 N VAL A 48 1.439 -5.773 -5.236 1.00 0.29 N ATOM 696 CA VAL A 48 2.391 -6.149 -6.274 1.00 0.31 C ATOM 697 C VAL A 48 2.627 -4.974 -7.251 1.00 0.29 C ATOM 698 O VAL A 48 3.723 -4.800 -7.792 1.00 0.35 O ATOM 699 CB VAL A 48 1.931 -7.442 -7.037 1.00 0.37 C ATOM 700 CG1 VAL A 48 0.648 -7.227 -7.826 1.00 0.61 C ATOM 701 CG2 VAL A 48 3.033 -7.998 -7.925 1.00 0.65 C ATOM 0 H VAL A 48 0.536 -6.243 -5.302 1.00 0.29 H new ATOM 0 HA VAL A 48 3.339 -6.381 -5.789 1.00 0.31 H new ATOM 0 HB VAL A 48 1.714 -8.186 -6.271 1.00 0.37 H new ATOM 0 HG11 VAL A 48 0.374 -8.151 -8.334 1.00 0.61 H new ATOM 0 HG12 VAL A 48 -0.153 -6.936 -7.146 1.00 0.61 H new ATOM 0 HG13 VAL A 48 0.802 -6.439 -8.563 1.00 0.61 H new ATOM 0 HG21 VAL A 48 2.673 -8.892 -8.435 1.00 0.65 H new ATOM 0 HG22 VAL A 48 3.318 -7.249 -8.664 1.00 0.65 H new ATOM 0 HG23 VAL A 48 3.899 -8.252 -7.314 1.00 0.65 H new ATOM 711 N ALA A 49 1.620 -4.134 -7.405 1.00 0.28 N ATOM 712 CA ALA A 49 1.703 -2.997 -8.302 1.00 0.28 C ATOM 713 C ALA A 49 2.451 -1.850 -7.639 1.00 0.27 C ATOM 714 O ALA A 49 3.116 -1.061 -8.296 1.00 0.32 O ATOM 715 CB ALA A 49 0.313 -2.551 -8.720 1.00 0.32 C ATOM 0 H ALA A 49 0.729 -4.219 -6.916 1.00 0.28 H new ATOM 0 HA ALA A 49 2.253 -3.299 -9.193 1.00 0.28 H new ATOM 0 HB1 ALA A 49 0.392 -1.697 -9.393 1.00 0.32 H new ATOM 0 HB2 ALA A 49 -0.194 -3.370 -9.231 1.00 0.32 H new ATOM 0 HB3 ALA A 49 -0.258 -2.265 -7.837 1.00 0.32 H new ATOM 721 N ALA A 50 2.355 -1.778 -6.332 1.00 0.27 N ATOM 722 CA ALA A 50 3.003 -0.731 -5.572 1.00 0.30 C ATOM 723 C ALA A 50 4.521 -0.826 -5.669 1.00 0.29 C ATOM 724 O ALA A 50 5.209 0.193 -5.643 1.00 0.32 O ATOM 725 CB ALA A 50 2.545 -0.757 -4.123 1.00 0.36 C ATOM 0 H ALA A 50 1.827 -2.441 -5.765 1.00 0.27 H new ATOM 0 HA ALA A 50 2.709 0.225 -6.006 1.00 0.30 H new ATOM 0 HB1 ALA A 50 3.044 0.038 -3.569 1.00 0.36 H new ATOM 0 HB2 ALA A 50 1.466 -0.607 -4.080 1.00 0.36 H new ATOM 0 HB3 ALA A 50 2.796 -1.721 -3.679 1.00 0.36 H new ATOM 731 N GLU A 51 5.033 -2.043 -5.827 1.00 0.32 N ATOM 732 CA GLU A 51 6.471 -2.266 -5.938 1.00 0.39 C ATOM 733 C GLU A 51 7.077 -1.435 -7.072 1.00 0.39 C ATOM 734 O GLU A 51 7.964 -0.616 -6.844 1.00 0.47 O ATOM 735 CB GLU A 51 6.790 -3.738 -6.158 1.00 0.49 C ATOM 736 CG GLU A 51 6.314 -4.652 -5.055 1.00 0.36 C ATOM 737 CD GLU A 51 6.854 -6.041 -5.220 1.00 0.44 C ATOM 738 OE1 GLU A 51 7.958 -6.330 -4.720 1.00 0.78 O ATOM 739 OE2 GLU A 51 6.158 -6.880 -5.825 1.00 0.70 O ATOM 0 H GLU A 51 4.471 -2.893 -5.881 1.00 0.32 H new ATOM 0 HA GLU A 51 6.914 -1.949 -4.994 1.00 0.39 H new ATOM 0 HB2 GLU A 51 6.340 -4.058 -7.098 1.00 0.49 H new ATOM 0 HB3 GLU A 51 7.869 -3.851 -6.266 1.00 0.49 H new ATOM 0 HG2 GLU A 51 6.625 -4.252 -4.090 1.00 0.36 H new ATOM 0 HG3 GLU A 51 5.224 -4.682 -5.051 1.00 0.36 H new ATOM 746 N GLU A 52 6.549 -1.603 -8.271 1.00 0.36 N ATOM 747 CA GLU A 52 7.066 -0.894 -9.436 1.00 0.41 C ATOM 748 C GLU A 52 6.808 0.608 -9.329 1.00 0.38 C ATOM 749 O GLU A 52 7.646 1.418 -9.699 1.00 0.47 O ATOM 750 CB GLU A 52 6.417 -1.402 -10.727 1.00 0.49 C ATOM 751 CG GLU A 52 4.904 -1.276 -10.727 1.00 0.53 C ATOM 752 CD GLU A 52 4.306 -1.295 -12.090 1.00 0.73 C ATOM 753 OE1 GLU A 52 4.239 -0.222 -12.720 1.00 0.94 O ATOM 754 OE2 GLU A 52 3.884 -2.353 -12.553 1.00 0.96 O ATOM 0 H GLU A 52 5.763 -2.223 -8.467 1.00 0.36 H new ATOM 0 HA GLU A 52 8.139 -1.081 -9.465 1.00 0.41 H new ATOM 0 HB2 GLU A 52 6.821 -0.845 -11.572 1.00 0.49 H new ATOM 0 HB3 GLU A 52 6.688 -2.447 -10.875 1.00 0.49 H new ATOM 0 HG2 GLU A 52 4.480 -2.091 -10.141 1.00 0.53 H new ATOM 0 HG3 GLU A 52 4.625 -0.347 -10.229 1.00 0.53 H new ATOM 761 N ARG A 53 5.656 0.960 -8.784 1.00 0.32 N ATOM 762 CA ARG A 53 5.212 2.333 -8.761 1.00 0.36 C ATOM 763 C ARG A 53 5.990 3.183 -7.770 1.00 0.35 C ATOM 764 O ARG A 53 6.217 4.374 -7.992 1.00 0.48 O ATOM 765 CB ARG A 53 3.704 2.419 -8.499 1.00 0.46 C ATOM 766 CG ARG A 53 2.806 1.787 -9.585 1.00 1.11 C ATOM 767 CD ARG A 53 2.888 2.502 -10.946 1.00 1.21 C ATOM 768 NE ARG A 53 4.159 2.297 -11.668 1.00 2.17 N ATOM 769 CZ ARG A 53 5.040 3.275 -11.978 1.00 2.78 C ATOM 770 NH1 ARG A 53 4.867 4.516 -11.499 1.00 2.79 N ATOM 771 NH2 ARG A 53 6.093 2.998 -12.750 1.00 3.85 N ATOM 0 H ARG A 53 5.009 0.302 -8.349 1.00 0.32 H new ATOM 0 HA ARG A 53 5.413 2.745 -9.750 1.00 0.36 H new ATOM 0 HB2 ARG A 53 3.490 1.934 -7.547 1.00 0.46 H new ATOM 0 HB3 ARG A 53 3.430 3.469 -8.391 1.00 0.46 H new ATOM 0 HG2 ARG A 53 3.088 0.742 -9.715 1.00 1.11 H new ATOM 0 HG3 ARG A 53 1.772 1.797 -9.241 1.00 1.11 H new ATOM 0 HD2 ARG A 53 2.068 2.156 -11.574 1.00 1.21 H new ATOM 0 HD3 ARG A 53 2.741 3.571 -10.790 1.00 1.21 H new ATOM 0 HE ARG A 53 4.390 1.346 -11.955 1.00 2.17 H new ATOM 0 HH11 ARG A 53 4.069 4.724 -10.899 1.00 2.79 H new ATOM 0 HH12 ARG A 53 5.534 5.251 -11.735 1.00 2.79 H new ATOM 0 HH21 ARG A 53 6.231 2.051 -13.104 1.00 3.85 H new ATOM 0 HH22 ARG A 53 6.760 3.733 -12.986 1.00 3.85 H new ATOM 785 N PHE A 54 6.406 2.579 -6.687 1.00 0.29 N ATOM 786 CA PHE A 54 7.149 3.294 -5.676 1.00 0.30 C ATOM 787 C PHE A 54 8.617 2.996 -5.738 1.00 0.33 C ATOM 788 O PHE A 54 9.371 3.445 -4.886 1.00 0.40 O ATOM 789 CB PHE A 54 6.592 3.014 -4.295 1.00 0.31 C ATOM 790 CG PHE A 54 5.227 3.554 -4.149 1.00 0.30 C ATOM 791 CD1 PHE A 54 5.040 4.895 -3.916 1.00 0.35 C ATOM 792 CD2 PHE A 54 4.129 2.739 -4.286 1.00 0.35 C ATOM 793 CE1 PHE A 54 3.785 5.411 -3.818 1.00 0.39 C ATOM 794 CE2 PHE A 54 2.872 3.250 -4.196 1.00 0.38 C ATOM 795 CZ PHE A 54 2.702 4.585 -3.959 1.00 0.37 C ATOM 0 H PHE A 54 6.244 1.593 -6.480 1.00 0.29 H new ATOM 0 HA PHE A 54 7.031 4.358 -5.882 1.00 0.30 H new ATOM 0 HB2 PHE A 54 6.581 1.939 -4.116 1.00 0.31 H new ATOM 0 HB3 PHE A 54 7.243 3.456 -3.541 1.00 0.31 H new ATOM 0 HD1 PHE A 54 5.896 5.545 -3.810 1.00 0.35 H new ATOM 0 HD2 PHE A 54 4.266 1.683 -4.467 1.00 0.35 H new ATOM 0 HE1 PHE A 54 3.644 6.465 -3.630 1.00 0.39 H new ATOM 0 HE2 PHE A 54 2.014 2.605 -4.311 1.00 0.38 H new ATOM 0 HZ PHE A 54 1.705 4.992 -3.882 1.00 0.37 H new ATOM 805 N ASP A 55 9.015 2.216 -6.757 1.00 0.36 N ATOM 806 CA ASP A 55 10.434 1.882 -7.009 1.00 0.44 C ATOM 807 C ASP A 55 11.004 1.072 -5.818 1.00 0.46 C ATOM 808 O ASP A 55 12.201 1.085 -5.507 1.00 0.77 O ATOM 809 CB ASP A 55 11.216 3.201 -7.253 1.00 0.53 C ATOM 810 CG ASP A 55 12.653 3.007 -7.656 1.00 1.14 C ATOM 811 OD1 ASP A 55 12.920 2.364 -8.702 1.00 1.23 O ATOM 812 OD2 ASP A 55 13.558 3.488 -6.936 1.00 1.95 O ATOM 0 H ASP A 55 8.369 1.800 -7.428 1.00 0.36 H new ATOM 0 HA ASP A 55 10.533 1.256 -7.896 1.00 0.44 H new ATOM 0 HB2 ASP A 55 10.708 3.772 -8.030 1.00 0.53 H new ATOM 0 HB3 ASP A 55 11.184 3.801 -6.344 1.00 0.53 H new ATOM 817 N VAL A 56 10.138 0.281 -5.233 1.00 0.35 N ATOM 818 CA VAL A 56 10.446 -0.428 -4.022 1.00 0.40 C ATOM 819 C VAL A 56 10.153 -1.939 -4.209 1.00 0.52 C ATOM 820 O VAL A 56 9.685 -2.354 -5.267 1.00 1.14 O ATOM 821 CB VAL A 56 9.596 0.175 -2.842 1.00 0.55 C ATOM 822 CG1 VAL A 56 8.110 -0.148 -2.972 1.00 1.00 C ATOM 823 CG2 VAL A 56 10.132 -0.187 -1.474 1.00 1.37 C ATOM 0 H VAL A 56 9.197 0.112 -5.588 1.00 0.35 H new ATOM 0 HA VAL A 56 11.504 -0.318 -3.782 1.00 0.40 H new ATOM 0 HB VAL A 56 9.699 1.256 -2.932 1.00 0.55 H new ATOM 0 HG11 VAL A 56 7.568 0.290 -2.134 1.00 1.00 H new ATOM 0 HG12 VAL A 56 7.729 0.264 -3.906 1.00 1.00 H new ATOM 0 HG13 VAL A 56 7.971 -1.229 -2.969 1.00 1.00 H new ATOM 0 HG21 VAL A 56 9.501 0.260 -0.706 1.00 1.37 H new ATOM 0 HG22 VAL A 56 10.132 -1.271 -1.358 1.00 1.37 H new ATOM 0 HG23 VAL A 56 11.150 0.189 -1.371 1.00 1.37 H new ATOM 833 N LYS A 57 10.425 -2.734 -3.211 1.00 0.41 N ATOM 834 CA LYS A 57 10.101 -4.140 -3.220 1.00 0.40 C ATOM 835 C LYS A 57 9.215 -4.423 -2.053 1.00 0.45 C ATOM 836 O LYS A 57 9.411 -3.853 -0.978 1.00 0.67 O ATOM 837 CB LYS A 57 11.343 -4.999 -3.070 1.00 0.57 C ATOM 838 CG LYS A 57 12.269 -5.062 -4.260 1.00 1.30 C ATOM 839 CD LYS A 57 13.503 -5.879 -3.910 1.00 1.77 C ATOM 840 CE LYS A 57 13.133 -7.249 -3.334 1.00 2.45 C ATOM 841 NZ LYS A 57 14.319 -7.998 -2.888 1.00 3.34 N ATOM 0 H LYS A 57 10.884 -2.422 -2.355 1.00 0.41 H new ATOM 0 HA LYS A 57 9.620 -4.374 -4.170 1.00 0.40 H new ATOM 0 HB2 LYS A 57 11.911 -4.631 -2.216 1.00 0.57 H new ATOM 0 HB3 LYS A 57 11.028 -6.014 -2.829 1.00 0.57 H new ATOM 0 HG2 LYS A 57 11.754 -5.510 -5.110 1.00 1.30 H new ATOM 0 HG3 LYS A 57 12.561 -4.055 -4.559 1.00 1.30 H new ATOM 0 HD2 LYS A 57 14.115 -6.013 -4.802 1.00 1.77 H new ATOM 0 HD3 LYS A 57 14.108 -5.332 -3.187 1.00 1.77 H new ATOM 0 HE2 LYS A 57 12.451 -7.117 -2.494 1.00 2.45 H new ATOM 0 HE3 LYS A 57 12.601 -7.828 -4.089 1.00 2.45 H new ATOM 0 HZ1 LYS A 57 14.024 -8.919 -2.505 1.00 3.34 H new ATOM 0 HZ2 LYS A 57 14.959 -8.147 -3.694 1.00 3.34 H new ATOM 0 HZ3 LYS A 57 14.813 -7.458 -2.149 1.00 3.34 H new ATOM 855 N ILE A 58 8.256 -5.264 -2.233 1.00 0.36 N ATOM 856 CA ILE A 58 7.406 -5.652 -1.149 1.00 0.42 C ATOM 857 C ILE A 58 7.269 -7.172 -1.164 1.00 0.46 C ATOM 858 O ILE A 58 6.404 -7.733 -1.858 1.00 0.52 O ATOM 859 CB ILE A 58 6.006 -4.970 -1.186 1.00 0.47 C ATOM 860 CG1 ILE A 58 6.160 -3.445 -1.335 1.00 0.48 C ATOM 861 CG2 ILE A 58 5.260 -5.282 0.112 1.00 0.55 C ATOM 862 CD1 ILE A 58 4.859 -2.697 -1.505 1.00 0.57 C ATOM 0 H ILE A 58 8.035 -5.702 -3.127 1.00 0.36 H new ATOM 0 HA ILE A 58 7.869 -5.315 -0.221 1.00 0.42 H new ATOM 0 HB ILE A 58 5.445 -5.353 -2.038 1.00 0.47 H new ATOM 0 HG12 ILE A 58 6.675 -3.057 -0.456 1.00 0.48 H new ATOM 0 HG13 ILE A 58 6.798 -3.239 -2.195 1.00 0.48 H new ATOM 0 HG21 ILE A 58 4.279 -4.807 0.091 1.00 0.55 H new ATOM 0 HG22 ILE A 58 5.139 -6.361 0.212 1.00 0.55 H new ATOM 0 HG23 ILE A 58 5.830 -4.901 0.960 1.00 0.55 H new ATOM 0 HD11 ILE A 58 5.062 -1.631 -1.602 1.00 0.57 H new ATOM 0 HD12 ILE A 58 4.349 -3.052 -2.400 1.00 0.57 H new ATOM 0 HD13 ILE A 58 4.225 -2.867 -0.635 1.00 0.57 H new ATOM 874 N PRO A 59 8.197 -7.857 -0.477 1.00 0.47 N ATOM 875 CA PRO A 59 8.214 -9.315 -0.381 1.00 0.53 C ATOM 876 C PRO A 59 7.001 -9.837 0.370 1.00 0.53 C ATOM 877 O PRO A 59 6.478 -9.152 1.259 1.00 0.46 O ATOM 878 CB PRO A 59 9.501 -9.607 0.411 1.00 0.59 C ATOM 879 CG PRO A 59 10.310 -8.368 0.290 1.00 0.63 C ATOM 880 CD PRO A 59 9.323 -7.257 0.255 1.00 0.50 C ATOM 0 HA PRO A 59 8.187 -9.796 -1.359 1.00 0.53 H new ATOM 0 HB2 PRO A 59 9.281 -9.835 1.454 1.00 0.59 H new ATOM 0 HB3 PRO A 59 10.031 -10.467 0.002 1.00 0.59 H new ATOM 0 HG2 PRO A 59 10.993 -8.261 1.132 1.00 0.63 H new ATOM 0 HG3 PRO A 59 10.918 -8.382 -0.614 1.00 0.63 H new ATOM 0 HD2 PRO A 59 9.033 -6.940 1.257 1.00 0.50 H new ATOM 0 HD3 PRO A 59 9.718 -6.379 -0.256 1.00 0.50 H new ATOM 888 N ASP A 60 6.591 -11.055 0.033 1.00 0.68 N ATOM 889 CA ASP A 60 5.396 -11.720 0.597 1.00 0.77 C ATOM 890 C ASP A 60 5.393 -11.688 2.118 1.00 0.70 C ATOM 891 O ASP A 60 4.360 -11.393 2.742 1.00 0.69 O ATOM 892 CB ASP A 60 5.299 -13.186 0.127 1.00 1.08 C ATOM 893 CG ASP A 60 5.029 -13.359 -1.356 1.00 1.50 C ATOM 894 OD1 ASP A 60 5.989 -13.311 -2.166 1.00 1.84 O ATOM 895 OD2 ASP A 60 3.877 -13.605 -1.732 1.00 2.30 O ATOM 0 H ASP A 60 7.082 -11.629 -0.653 1.00 0.68 H new ATOM 0 HA ASP A 60 4.533 -11.163 0.232 1.00 0.77 H new ATOM 0 HB2 ASP A 60 6.230 -13.695 0.375 1.00 1.08 H new ATOM 0 HB3 ASP A 60 4.506 -13.681 0.687 1.00 1.08 H new ATOM 900 N ASP A 61 6.552 -11.953 2.710 1.00 0.75 N ATOM 901 CA ASP A 61 6.694 -11.962 4.169 1.00 0.85 C ATOM 902 C ASP A 61 6.486 -10.567 4.735 1.00 0.71 C ATOM 903 O ASP A 61 5.788 -10.385 5.737 1.00 0.79 O ATOM 904 CB ASP A 61 8.067 -12.494 4.587 1.00 1.13 C ATOM 905 CG ASP A 61 8.245 -12.547 6.095 1.00 1.80 C ATOM 906 OD1 ASP A 61 8.710 -11.543 6.686 1.00 2.38 O ATOM 907 OD2 ASP A 61 7.910 -13.571 6.712 1.00 2.31 O ATOM 0 H ASP A 61 7.412 -12.166 2.204 1.00 0.75 H new ATOM 0 HA ASP A 61 5.930 -12.626 4.572 1.00 0.85 H new ATOM 0 HB2 ASP A 61 8.205 -13.493 4.174 1.00 1.13 H new ATOM 0 HB3 ASP A 61 8.843 -11.861 4.156 1.00 1.13 H new ATOM 912 N ASP A 62 7.044 -9.574 4.055 1.00 0.60 N ATOM 913 CA ASP A 62 6.924 -8.186 4.495 1.00 0.62 C ATOM 914 C ASP A 62 5.528 -7.662 4.346 1.00 0.51 C ATOM 915 O ASP A 62 5.123 -6.791 5.109 1.00 0.61 O ATOM 916 CB ASP A 62 7.927 -7.242 3.832 1.00 0.74 C ATOM 917 CG ASP A 62 9.270 -7.258 4.513 1.00 0.82 C ATOM 918 OD1 ASP A 62 9.344 -7.063 5.738 1.00 1.17 O ATOM 919 OD2 ASP A 62 10.281 -7.522 3.824 1.00 1.52 O ATOM 0 H ASP A 62 7.583 -9.701 3.199 1.00 0.60 H new ATOM 0 HA ASP A 62 7.170 -8.208 5.557 1.00 0.62 H new ATOM 0 HB2 ASP A 62 8.050 -7.524 2.786 1.00 0.74 H new ATOM 0 HB3 ASP A 62 7.529 -6.227 3.844 1.00 0.74 H new ATOM 924 N VAL A 63 4.798 -8.183 3.362 1.00 0.43 N ATOM 925 CA VAL A 63 3.387 -7.848 3.170 1.00 0.46 C ATOM 926 C VAL A 63 2.629 -8.218 4.440 1.00 0.46 C ATOM 927 O VAL A 63 2.097 -7.367 5.119 1.00 0.55 O ATOM 928 CB VAL A 63 2.762 -8.648 1.978 1.00 0.53 C ATOM 929 CG1 VAL A 63 1.287 -8.306 1.803 1.00 0.79 C ATOM 930 CG2 VAL A 63 3.503 -8.384 0.685 1.00 0.73 C ATOM 0 H VAL A 63 5.164 -8.846 2.678 1.00 0.43 H new ATOM 0 HA VAL A 63 3.313 -6.783 2.950 1.00 0.46 H new ATOM 0 HB VAL A 63 2.854 -9.707 2.220 1.00 0.53 H new ATOM 0 HG11 VAL A 63 0.878 -8.876 0.968 1.00 0.79 H new ATOM 0 HG12 VAL A 63 0.745 -8.557 2.714 1.00 0.79 H new ATOM 0 HG13 VAL A 63 1.182 -7.240 1.601 1.00 0.79 H new ATOM 0 HG21 VAL A 63 3.043 -8.955 -0.121 1.00 0.73 H new ATOM 0 HG22 VAL A 63 3.456 -7.321 0.449 1.00 0.73 H new ATOM 0 HG23 VAL A 63 4.545 -8.686 0.794 1.00 0.73 H new ATOM 940 N LYS A 64 2.673 -9.497 4.772 1.00 0.46 N ATOM 941 CA LYS A 64 1.945 -10.089 5.915 1.00 0.55 C ATOM 942 C LYS A 64 2.392 -9.500 7.266 1.00 0.54 C ATOM 943 O LYS A 64 1.729 -9.676 8.284 1.00 0.63 O ATOM 944 CB LYS A 64 2.166 -11.596 5.885 1.00 0.68 C ATOM 945 CG LYS A 64 1.690 -12.223 4.588 1.00 0.77 C ATOM 946 CD LYS A 64 2.213 -13.631 4.408 1.00 0.99 C ATOM 947 CE LYS A 64 1.778 -14.185 3.065 1.00 1.17 C ATOM 948 NZ LYS A 64 2.399 -15.485 2.771 1.00 1.24 N ATOM 0 H LYS A 64 3.224 -10.180 4.252 1.00 0.46 H new ATOM 0 HA LYS A 64 0.885 -9.853 5.818 1.00 0.55 H new ATOM 0 HB2 LYS A 64 3.227 -11.808 6.020 1.00 0.68 H new ATOM 0 HB3 LYS A 64 1.640 -12.055 6.722 1.00 0.68 H new ATOM 0 HG2 LYS A 64 0.600 -12.237 4.572 1.00 0.77 H new ATOM 0 HG3 LYS A 64 2.013 -11.607 3.749 1.00 0.77 H new ATOM 0 HD2 LYS A 64 3.301 -13.634 4.475 1.00 0.99 H new ATOM 0 HD3 LYS A 64 1.842 -14.269 5.210 1.00 0.99 H new ATOM 0 HE2 LYS A 64 0.693 -14.292 3.052 1.00 1.17 H new ATOM 0 HE3 LYS A 64 2.038 -13.475 2.280 1.00 1.17 H new ATOM 0 HZ1 LYS A 64 2.072 -15.824 1.844 1.00 1.24 H new ATOM 0 HZ2 LYS A 64 3.434 -15.380 2.756 1.00 1.24 H new ATOM 0 HZ3 LYS A 64 2.131 -16.172 3.505 1.00 1.24 H new ATOM 962 N ASN A 65 3.503 -8.801 7.252 1.00 0.50 N ATOM 963 CA ASN A 65 4.048 -8.162 8.439 1.00 0.56 C ATOM 964 C ASN A 65 3.420 -6.769 8.654 1.00 0.52 C ATOM 965 O ASN A 65 3.497 -6.181 9.746 1.00 0.65 O ATOM 966 CB ASN A 65 5.590 -8.094 8.317 1.00 0.64 C ATOM 967 CG ASN A 65 6.278 -7.389 9.471 1.00 1.32 C ATOM 968 OD1 ASN A 65 6.509 -7.987 10.522 1.00 1.95 O ATOM 969 ND2 ASN A 65 6.699 -6.168 9.257 1.00 2.07 N ATOM 0 H ASN A 65 4.063 -8.655 6.412 1.00 0.50 H new ATOM 0 HA ASN A 65 3.798 -8.753 9.320 1.00 0.56 H new ATOM 0 HB2 ASN A 65 5.982 -9.108 8.241 1.00 0.64 H new ATOM 0 HB3 ASN A 65 5.847 -7.583 7.389 1.00 0.64 H new ATOM 0 HD21 ASN A 65 7.237 -5.681 9.974 1.00 2.07 H new ATOM 0 HD22 ASN A 65 6.489 -5.703 8.374 1.00 2.07 H new ATOM 976 N LEU A 66 2.753 -6.263 7.638 1.00 0.43 N ATOM 977 CA LEU A 66 2.149 -4.956 7.723 1.00 0.43 C ATOM 978 C LEU A 66 0.681 -5.112 8.104 1.00 0.43 C ATOM 979 O LEU A 66 0.229 -6.229 8.383 1.00 0.47 O ATOM 980 CB LEU A 66 2.278 -4.235 6.380 1.00 0.44 C ATOM 981 CG LEU A 66 3.694 -4.121 5.808 1.00 0.50 C ATOM 982 CD1 LEU A 66 3.655 -3.459 4.459 1.00 0.57 C ATOM 983 CD2 LEU A 66 4.610 -3.352 6.742 1.00 0.60 C ATOM 0 H LEU A 66 2.617 -6.738 6.746 1.00 0.43 H new ATOM 0 HA LEU A 66 2.657 -4.362 8.483 1.00 0.43 H new ATOM 0 HB2 LEU A 66 1.655 -4.753 5.651 1.00 0.44 H new ATOM 0 HB3 LEU A 66 1.871 -3.230 6.490 1.00 0.44 H new ATOM 0 HG LEU A 66 4.095 -5.129 5.702 1.00 0.50 H new ATOM 0 HD11 LEU A 66 4.667 -3.383 4.062 1.00 0.57 H new ATOM 0 HD12 LEU A 66 3.042 -4.052 3.780 1.00 0.57 H new ATOM 0 HD13 LEU A 66 3.227 -2.461 4.556 1.00 0.57 H new ATOM 0 HD21 LEU A 66 5.607 -3.290 6.305 1.00 0.60 H new ATOM 0 HD22 LEU A 66 4.216 -2.347 6.891 1.00 0.60 H new ATOM 0 HD23 LEU A 66 4.666 -3.866 7.702 1.00 0.60 H new ATOM 995 N LYS A 67 -0.063 -4.013 8.121 1.00 0.45 N ATOM 996 CA LYS A 67 -1.487 -4.050 8.455 1.00 0.50 C ATOM 997 C LYS A 67 -2.189 -2.766 8.020 1.00 0.43 C ATOM 998 O LYS A 67 -3.168 -2.808 7.270 1.00 0.52 O ATOM 999 CB LYS A 67 -1.698 -4.385 9.955 1.00 0.64 C ATOM 1000 CG LYS A 67 -0.994 -3.456 10.923 1.00 0.85 C ATOM 1001 CD LYS A 67 -0.726 -4.126 12.256 1.00 0.88 C ATOM 1002 CE LYS A 67 0.257 -5.280 12.090 1.00 1.86 C ATOM 1003 NZ LYS A 67 1.620 -4.829 11.671 1.00 2.69 N ATOM 0 H LYS A 67 0.294 -3.082 7.907 1.00 0.45 H new ATOM 0 HA LYS A 67 -1.955 -4.857 7.892 1.00 0.50 H new ATOM 0 HB2 LYS A 67 -2.767 -4.367 10.169 1.00 0.64 H new ATOM 0 HB3 LYS A 67 -1.354 -5.403 10.136 1.00 0.64 H new ATOM 0 HG2 LYS A 67 -0.051 -3.124 10.487 1.00 0.85 H new ATOM 0 HG3 LYS A 67 -1.603 -2.566 11.080 1.00 0.85 H new ATOM 0 HD2 LYS A 67 -0.324 -3.398 12.961 1.00 0.88 H new ATOM 0 HD3 LYS A 67 -1.661 -4.495 12.678 1.00 0.88 H new ATOM 0 HE2 LYS A 67 0.333 -5.824 13.032 1.00 1.86 H new ATOM 0 HE3 LYS A 67 -0.132 -5.979 11.349 1.00 1.86 H new ATOM 0 HZ1 LYS A 67 1.844 -5.224 10.735 1.00 2.69 H new ATOM 0 HZ2 LYS A 67 1.642 -3.790 11.623 1.00 2.69 H new ATOM 0 HZ3 LYS A 67 2.323 -5.159 12.363 1.00 2.69 H new ATOM 1017 N THR A 68 -1.685 -1.630 8.446 1.00 0.37 N ATOM 1018 CA THR A 68 -2.255 -0.392 8.022 1.00 0.35 C ATOM 1019 C THR A 68 -1.337 0.230 6.980 1.00 0.32 C ATOM 1020 O THR A 68 -0.276 -0.342 6.660 1.00 0.33 O ATOM 1021 CB THR A 68 -2.482 0.606 9.209 1.00 0.38 C ATOM 1022 OG1 THR A 68 -1.225 1.022 9.788 1.00 0.36 O ATOM 1023 CG2 THR A 68 -3.343 -0.025 10.294 1.00 0.46 C ATOM 0 H THR A 68 -0.890 -1.547 9.079 1.00 0.37 H new ATOM 0 HA THR A 68 -3.238 -0.596 7.598 1.00 0.35 H new ATOM 0 HB THR A 68 -2.995 1.478 8.802 1.00 0.38 H new ATOM 0 HG1 THR A 68 -0.576 0.291 9.721 1.00 0.36 H new ATOM 0 HG21 THR A 68 -3.485 0.688 11.106 1.00 0.46 H new ATOM 0 HG22 THR A 68 -4.312 -0.298 9.877 1.00 0.46 H new ATOM 0 HG23 THR A 68 -2.849 -0.918 10.677 1.00 0.46 H new ATOM 1031 N VAL A 69 -1.678 1.394 6.486 1.00 0.33 N ATOM 1032 CA VAL A 69 -0.805 2.074 5.559 1.00 0.33 C ATOM 1033 C VAL A 69 0.313 2.760 6.328 1.00 0.34 C ATOM 1034 O VAL A 69 1.337 3.129 5.766 1.00 0.36 O ATOM 1035 CB VAL A 69 -1.529 3.077 4.618 1.00 0.39 C ATOM 1036 CG1 VAL A 69 -2.610 2.385 3.808 1.00 0.66 C ATOM 1037 CG2 VAL A 69 -2.115 4.220 5.393 1.00 0.56 C ATOM 0 H VAL A 69 -2.543 1.887 6.706 1.00 0.33 H new ATOM 0 HA VAL A 69 -0.396 1.311 4.897 1.00 0.33 H new ATOM 0 HB VAL A 69 -0.783 3.474 3.929 1.00 0.39 H new ATOM 0 HG11 VAL A 69 -3.099 3.111 3.159 1.00 0.66 H new ATOM 0 HG12 VAL A 69 -2.162 1.599 3.200 1.00 0.66 H new ATOM 0 HG13 VAL A 69 -3.346 1.947 4.482 1.00 0.66 H new ATOM 0 HG21 VAL A 69 -2.615 4.905 4.709 1.00 0.56 H new ATOM 0 HG22 VAL A 69 -2.836 3.838 6.115 1.00 0.56 H new ATOM 0 HG23 VAL A 69 -1.320 4.748 5.919 1.00 0.56 H new ATOM 1047 N GLY A 70 0.123 2.853 7.646 1.00 0.36 N ATOM 1048 CA GLY A 70 1.121 3.408 8.531 1.00 0.38 C ATOM 1049 C GLY A 70 2.251 2.430 8.728 1.00 0.39 C ATOM 1050 O GLY A 70 3.329 2.792 9.157 1.00 0.46 O ATOM 0 H GLY A 70 -0.727 2.544 8.118 1.00 0.36 H new ATOM 0 HA2 GLY A 70 1.506 4.340 8.116 1.00 0.38 H new ATOM 0 HA3 GLY A 70 0.669 3.650 9.493 1.00 0.38 H new ATOM 1054 N ASP A 71 1.979 1.176 8.431 1.00 0.42 N ATOM 1055 CA ASP A 71 2.997 0.126 8.468 1.00 0.50 C ATOM 1056 C ASP A 71 3.756 0.146 7.163 1.00 0.49 C ATOM 1057 O ASP A 71 4.994 0.137 7.127 1.00 0.58 O ATOM 1058 CB ASP A 71 2.356 -1.266 8.584 1.00 0.62 C ATOM 1059 CG ASP A 71 1.568 -1.512 9.825 1.00 0.82 C ATOM 1060 OD1 ASP A 71 0.476 -0.923 9.971 1.00 1.62 O ATOM 1061 OD2 ASP A 71 1.958 -2.367 10.621 1.00 1.00 O ATOM 0 H ASP A 71 1.053 0.849 8.157 1.00 0.42 H new ATOM 0 HA ASP A 71 3.641 0.311 9.328 1.00 0.50 H new ATOM 0 HB2 ASP A 71 1.703 -1.418 7.725 1.00 0.62 H new ATOM 0 HB3 ASP A 71 3.145 -2.016 8.522 1.00 0.62 H new ATOM 1066 N ALA A 72 2.978 0.208 6.087 1.00 0.43 N ATOM 1067 CA ALA A 72 3.467 0.101 4.726 1.00 0.48 C ATOM 1068 C ALA A 72 4.407 1.224 4.373 1.00 0.44 C ATOM 1069 O ALA A 72 5.509 0.975 3.892 1.00 0.47 O ATOM 1070 CB ALA A 72 2.298 0.061 3.753 1.00 0.51 C ATOM 0 H ALA A 72 1.968 0.337 6.144 1.00 0.43 H new ATOM 0 HA ALA A 72 4.031 -0.828 4.650 1.00 0.48 H new ATOM 0 HB1 ALA A 72 2.676 -0.019 2.734 1.00 0.51 H new ATOM 0 HB2 ALA A 72 1.669 -0.801 3.976 1.00 0.51 H new ATOM 0 HB3 ALA A 72 1.711 0.974 3.852 1.00 0.51 H new ATOM 1076 N THR A 73 3.977 2.443 4.658 1.00 0.40 N ATOM 1077 CA THR A 73 4.712 3.654 4.336 1.00 0.39 C ATOM 1078 C THR A 73 6.162 3.584 4.758 1.00 0.39 C ATOM 1079 O THR A 73 7.052 3.731 3.924 1.00 0.41 O ATOM 1080 CB THR A 73 4.055 4.844 5.030 1.00 0.37 C ATOM 1081 OG1 THR A 73 3.607 4.450 6.339 1.00 0.36 O ATOM 1082 CG2 THR A 73 2.910 5.391 4.211 1.00 0.46 C ATOM 0 H THR A 73 3.090 2.621 5.129 1.00 0.40 H new ATOM 0 HA THR A 73 4.686 3.768 3.252 1.00 0.39 H new ATOM 0 HB THR A 73 4.792 5.641 5.130 1.00 0.37 H new ATOM 0 HG1 THR A 73 2.665 4.184 6.296 1.00 0.36 H new ATOM 0 HG21 THR A 73 2.462 6.238 4.731 1.00 0.46 H new ATOM 0 HG22 THR A 73 3.281 5.717 3.239 1.00 0.46 H new ATOM 0 HG23 THR A 73 2.159 4.613 4.070 1.00 0.46 H new ATOM 1090 N LYS A 74 6.373 3.321 6.039 1.00 0.47 N ATOM 1091 CA LYS A 74 7.698 3.320 6.662 1.00 0.53 C ATOM 1092 C LYS A 74 8.660 2.387 5.920 1.00 0.48 C ATOM 1093 O LYS A 74 9.821 2.720 5.716 1.00 0.55 O ATOM 1094 CB LYS A 74 7.615 2.880 8.137 1.00 0.65 C ATOM 1095 CG LYS A 74 6.443 3.456 8.939 1.00 1.26 C ATOM 1096 CD LYS A 74 6.341 4.981 8.894 1.00 1.88 C ATOM 1097 CE LYS A 74 5.114 5.429 9.681 1.00 2.66 C ATOM 1098 NZ LYS A 74 4.893 6.884 9.665 1.00 3.54 N ATOM 0 H LYS A 74 5.620 3.098 6.689 1.00 0.47 H new ATOM 0 HA LYS A 74 8.076 4.341 6.608 1.00 0.53 H new ATOM 0 HB2 LYS A 74 7.553 1.792 8.169 1.00 0.65 H new ATOM 0 HB3 LYS A 74 8.544 3.161 8.633 1.00 0.65 H new ATOM 0 HG2 LYS A 74 5.514 3.030 8.560 1.00 1.26 H new ATOM 0 HG3 LYS A 74 6.538 3.140 9.978 1.00 1.26 H new ATOM 0 HD2 LYS A 74 7.241 5.429 9.315 1.00 1.88 H new ATOM 0 HD3 LYS A 74 6.269 5.322 7.861 1.00 1.88 H new ATOM 0 HE2 LYS A 74 4.233 4.933 9.274 1.00 2.66 H new ATOM 0 HE3 LYS A 74 5.217 5.098 10.715 1.00 2.66 H new ATOM 0 HZ1 LYS A 74 4.472 7.181 10.568 1.00 3.54 H new ATOM 0 HZ2 LYS A 74 5.802 7.372 9.530 1.00 3.54 H new ATOM 0 HZ3 LYS A 74 4.249 7.129 8.886 1.00 3.54 H new ATOM 1112 N TYR A 75 8.155 1.244 5.498 1.00 0.45 N ATOM 1113 CA TYR A 75 8.965 0.259 4.799 1.00 0.44 C ATOM 1114 C TYR A 75 9.231 0.711 3.358 1.00 0.40 C ATOM 1115 O TYR A 75 10.376 0.683 2.881 1.00 0.48 O ATOM 1116 CB TYR A 75 8.258 -1.108 4.820 1.00 0.49 C ATOM 1117 CG TYR A 75 9.022 -2.229 4.145 1.00 0.50 C ATOM 1118 CD1 TYR A 75 10.020 -2.918 4.820 1.00 0.68 C ATOM 1119 CD2 TYR A 75 8.737 -2.605 2.836 1.00 0.52 C ATOM 1120 CE1 TYR A 75 10.712 -3.947 4.213 1.00 0.77 C ATOM 1121 CE2 TYR A 75 9.423 -3.628 2.222 1.00 0.61 C ATOM 1122 CZ TYR A 75 10.410 -4.300 2.915 1.00 0.69 C ATOM 1123 OH TYR A 75 11.099 -5.331 2.310 1.00 0.83 O ATOM 0 H TYR A 75 7.181 0.971 5.627 1.00 0.45 H new ATOM 0 HA TYR A 75 9.925 0.163 5.306 1.00 0.44 H new ATOM 0 HB2 TYR A 75 8.070 -1.388 5.856 1.00 0.49 H new ATOM 0 HB3 TYR A 75 7.287 -1.006 4.336 1.00 0.49 H new ATOM 0 HD1 TYR A 75 10.259 -2.645 5.837 1.00 0.68 H new ATOM 0 HD2 TYR A 75 7.963 -2.084 2.292 1.00 0.52 H new ATOM 0 HE1 TYR A 75 11.486 -4.473 4.752 1.00 0.77 H new ATOM 0 HE2 TYR A 75 9.191 -3.903 1.204 1.00 0.61 H new ATOM 0 HH TYR A 75 10.891 -6.174 2.764 1.00 0.83 H new ATOM 1133 N ILE A 76 8.171 1.146 2.688 1.00 0.37 N ATOM 1134 CA ILE A 76 8.236 1.589 1.297 1.00 0.43 C ATOM 1135 C ILE A 76 9.209 2.746 1.143 1.00 0.52 C ATOM 1136 O ILE A 76 10.241 2.606 0.488 1.00 0.65 O ATOM 1137 CB ILE A 76 6.845 2.045 0.789 1.00 0.45 C ATOM 1138 CG1 ILE A 76 5.854 0.890 0.840 1.00 0.48 C ATOM 1139 CG2 ILE A 76 6.944 2.587 -0.640 1.00 0.59 C ATOM 1140 CD1 ILE A 76 4.450 1.310 0.506 1.00 0.55 C ATOM 0 H ILE A 76 7.237 1.202 3.094 1.00 0.37 H new ATOM 0 HA ILE A 76 8.577 0.739 0.706 1.00 0.43 H new ATOM 0 HB ILE A 76 6.489 2.843 1.441 1.00 0.45 H new ATOM 0 HG12 ILE A 76 6.171 0.114 0.143 1.00 0.48 H new ATOM 0 HG13 ILE A 76 5.869 0.449 1.837 1.00 0.48 H new ATOM 0 HG21 ILE A 76 5.957 2.902 -0.979 1.00 0.59 H new ATOM 0 HG22 ILE A 76 7.624 3.439 -0.660 1.00 0.59 H new ATOM 0 HG23 ILE A 76 7.322 1.806 -1.300 1.00 0.59 H new ATOM 0 HD11 ILE A 76 3.789 0.445 0.559 1.00 0.55 H new ATOM 0 HD12 ILE A 76 4.117 2.065 1.218 1.00 0.55 H new ATOM 0 HD13 ILE A 76 4.424 1.725 -0.501 1.00 0.55 H new ATOM 1152 N LEU A 77 8.902 3.872 1.790 1.00 0.52 N ATOM 1153 CA LEU A 77 9.674 5.099 1.629 1.00 0.71 C ATOM 1154 C LEU A 77 11.145 4.949 2.000 1.00 0.78 C ATOM 1155 O LEU A 77 12.000 5.705 1.525 1.00 0.96 O ATOM 1156 CB LEU A 77 9.004 6.327 2.319 1.00 0.86 C ATOM 1157 CG LEU A 77 8.639 6.233 3.822 1.00 0.88 C ATOM 1158 CD1 LEU A 77 9.857 6.182 4.733 1.00 1.74 C ATOM 1159 CD2 LEU A 77 7.731 7.378 4.216 1.00 0.99 C ATOM 0 H LEU A 77 8.116 3.956 2.435 1.00 0.52 H new ATOM 0 HA LEU A 77 9.666 5.304 0.558 1.00 0.71 H new ATOM 0 HB2 LEU A 77 9.671 7.180 2.194 1.00 0.86 H new ATOM 0 HB3 LEU A 77 8.090 6.555 1.771 1.00 0.86 H new ATOM 0 HG LEU A 77 8.113 5.288 3.956 1.00 0.88 H new ATOM 0 HD11 LEU A 77 9.532 6.117 5.771 1.00 1.74 H new ATOM 0 HD12 LEU A 77 10.460 5.308 4.486 1.00 1.74 H new ATOM 0 HD13 LEU A 77 10.453 7.084 4.595 1.00 1.74 H new ATOM 0 HD21 LEU A 77 7.483 7.298 5.274 1.00 0.99 H new ATOM 0 HD22 LEU A 77 8.239 8.325 4.032 1.00 0.99 H new ATOM 0 HD23 LEU A 77 6.816 7.337 3.625 1.00 0.99 H new ATOM 1171 N ASP A 78 11.435 3.965 2.808 1.00 0.71 N ATOM 1172 CA ASP A 78 12.793 3.749 3.286 1.00 0.84 C ATOM 1173 C ASP A 78 13.627 2.963 2.266 1.00 0.94 C ATOM 1174 O ASP A 78 14.847 3.110 2.192 1.00 1.09 O ATOM 1175 CB ASP A 78 12.768 3.041 4.642 1.00 0.91 C ATOM 1176 CG ASP A 78 14.131 2.900 5.269 1.00 1.15 C ATOM 1177 OD1 ASP A 78 14.769 3.931 5.578 1.00 1.32 O ATOM 1178 OD2 ASP A 78 14.593 1.759 5.478 1.00 1.26 O ATOM 0 H ASP A 78 10.752 3.292 3.156 1.00 0.71 H new ATOM 0 HA ASP A 78 13.270 4.721 3.412 1.00 0.84 H new ATOM 0 HB2 ASP A 78 12.120 3.595 5.321 1.00 0.91 H new ATOM 0 HB3 ASP A 78 12.329 2.051 4.519 1.00 0.91 H new