USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 621 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 41 SER OG : rot 180:sc= 0.12 USER MOD Set 1.2: A 65 LYS NZ :NH3+ -148:sc= 0.0759 (180deg=-0.322) USER MOD Single : A 1 MET CE :methyl -157:sc= -0.262 (180deg=-1.38!) USER MOD Single : A 1 MET N :NH3+ -164:sc= -0.0535 (180deg=-0.359) USER MOD Single : A 4 THR OG1 : rot 78:sc= 1.05 USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 17 ASN : amide:sc= -0.606 K(o=-0.61,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 148:sc= 1.19 (180deg=-0.435) USER MOD Single : A 31 LYS NZ :NH3+ 143:sc= 0.168 (180deg=-2.92!) USER MOD Single : A 32 SER OG : rot 180:sc= -0.452 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.00836 USER MOD Single : A 43 SER OG : rot -176:sc= -0.692 USER MOD Single : A 44 MET CE :methyl -145:sc= -0.846 (180deg=-3.27!) USER MOD Single : A 58 LYS NZ :NH3+ -167:sc=-0.00791 (180deg=-0.155) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ -169:sc= 1.3 (180deg=1.04) USER MOD Single : A 69 THR OG1 : rot 121:sc= -2.15! USER MOD Single : A 74 THR OG1 : rot 91:sc= 1.35 USER MOD Single : A 75 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0205) USER MOD Single : A 76 TYR OH : rot 76:sc= 1.01 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 GLN : amide:sc= -2.26! C(o=-2.3!,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.083 6.262 1.213 1.00 0.00 N ATOM 2 CA MET A 1 -17.797 6.815 1.695 1.00 0.00 C ATOM 3 C MET A 1 -16.637 6.028 1.105 1.00 0.00 C ATOM 4 O MET A 1 -16.342 4.918 1.547 1.00 0.00 O ATOM 5 CB MET A 1 -17.724 6.754 3.222 1.00 0.00 C ATOM 6 CG MET A 1 -18.823 7.526 3.923 1.00 0.00 C ATOM 7 SD MET A 1 -18.789 7.286 5.712 1.00 0.00 S ATOM 8 CE MET A 1 -18.936 5.503 5.809 1.00 0.00 C ATOM 0 H1 MET A 1 -19.844 6.948 1.390 1.00 0.00 H new ATOM 0 H2 MET A 1 -19.018 6.072 0.193 1.00 0.00 H new ATOM 0 H3 MET A 1 -19.291 5.377 1.718 1.00 0.00 H new ATOM 0 HA MET A 1 -17.732 7.856 1.377 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.769 5.711 3.536 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.758 7.143 3.545 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.719 8.588 3.698 1.00 0.00 H new ATOM 0 HG3 MET A 1 -19.791 7.211 3.534 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.333 5.223 6.785 1.00 0.00 H new ATOM 0 HE2 MET A 1 -19.610 5.150 5.028 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.954 5.049 5.673 1.00 0.00 H new ATOM 20 N ALA A 2 -16.003 6.586 0.088 1.00 0.00 N ATOM 21 CA ALA A 2 -14.870 5.942 -0.553 1.00 0.00 C ATOM 22 C ALA A 2 -13.618 6.781 -0.382 1.00 0.00 C ATOM 23 O ALA A 2 -13.681 8.010 -0.372 1.00 0.00 O ATOM 24 CB ALA A 2 -15.157 5.715 -2.029 1.00 0.00 C ATOM 0 H ALA A 2 -16.256 7.489 -0.313 1.00 0.00 H new ATOM 0 HA ALA A 2 -14.706 4.975 -0.078 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.299 5.232 -2.496 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -16.035 5.078 -2.135 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -15.343 6.673 -2.515 1.00 0.00 H new ATOM 30 N ALA A 3 -12.482 6.120 -0.237 1.00 0.00 N ATOM 31 CA ALA A 3 -11.222 6.819 -0.128 1.00 0.00 C ATOM 32 C ALA A 3 -10.518 6.781 -1.464 1.00 0.00 C ATOM 33 O ALA A 3 -10.282 5.706 -2.016 1.00 0.00 O ATOM 34 CB ALA A 3 -10.342 6.211 0.949 1.00 0.00 C ATOM 0 H ALA A 3 -12.411 5.103 -0.193 1.00 0.00 H new ATOM 0 HA ALA A 3 -11.420 7.853 0.156 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -9.402 6.761 1.004 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -10.852 6.267 1.910 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -10.138 5.168 0.707 1.00 0.00 H new ATOM 40 N THR A 4 -10.211 7.948 -1.987 1.00 0.00 N ATOM 41 CA THR A 4 -9.566 8.053 -3.276 1.00 0.00 C ATOM 42 C THR A 4 -8.051 7.918 -3.113 1.00 0.00 C ATOM 43 O THR A 4 -7.570 7.428 -2.087 1.00 0.00 O ATOM 44 CB THR A 4 -9.921 9.395 -3.952 1.00 0.00 C ATOM 45 OG1 THR A 4 -11.192 9.858 -3.466 1.00 0.00 O ATOM 46 CG2 THR A 4 -9.990 9.233 -5.468 1.00 0.00 C ATOM 0 H THR A 4 -10.400 8.843 -1.535 1.00 0.00 H new ATOM 0 HA THR A 4 -9.924 7.246 -3.915 1.00 0.00 H new ATOM 0 HB THR A 4 -9.144 10.120 -3.711 1.00 0.00 H new ATOM 0 HG1 THR A 4 -11.079 10.247 -2.574 1.00 0.00 H new ATOM 0 HG21 THR A 4 -10.241 10.190 -5.925 1.00 0.00 H new ATOM 0 HG22 THR A 4 -9.024 8.895 -5.842 1.00 0.00 H new ATOM 0 HG23 THR A 4 -10.754 8.498 -5.721 1.00 0.00 H new ATOM 54 N GLN A 5 -7.311 8.359 -4.119 1.00 0.00 N ATOM 55 CA GLN A 5 -5.878 8.175 -4.171 1.00 0.00 C ATOM 56 C GLN A 5 -5.166 8.829 -2.986 1.00 0.00 C ATOM 57 O GLN A 5 -4.461 8.159 -2.240 1.00 0.00 O ATOM 58 CB GLN A 5 -5.372 8.745 -5.493 1.00 0.00 C ATOM 59 CG GLN A 5 -3.867 8.738 -5.644 1.00 0.00 C ATOM 60 CD GLN A 5 -3.424 9.312 -6.972 1.00 0.00 C ATOM 61 OE1 GLN A 5 -4.108 9.177 -7.985 1.00 0.00 O ATOM 62 NE2 GLN A 5 -2.294 9.983 -6.960 1.00 0.00 N ATOM 0 H GLN A 5 -7.694 8.856 -4.923 1.00 0.00 H new ATOM 0 HA GLN A 5 -5.655 7.110 -4.107 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -5.809 8.173 -6.312 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -5.730 9.770 -5.593 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -3.419 9.314 -4.834 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -3.499 7.716 -5.551 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -1.761 10.068 -6.095 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -1.951 10.419 -7.816 1.00 0.00 H new ATOM 71 N GLU A 6 -5.383 10.121 -2.790 1.00 0.00 N ATOM 72 CA GLU A 6 -4.616 10.877 -1.802 1.00 0.00 C ATOM 73 C GLU A 6 -4.910 10.417 -0.370 1.00 0.00 C ATOM 74 O GLU A 6 -3.998 10.313 0.452 1.00 0.00 O ATOM 75 CB GLU A 6 -4.880 12.378 -1.951 1.00 0.00 C ATOM 76 CG GLU A 6 -6.345 12.755 -1.831 1.00 0.00 C ATOM 77 CD GLU A 6 -6.581 14.235 -2.024 1.00 0.00 C ATOM 78 OE1 GLU A 6 -6.400 15.007 -1.060 1.00 0.00 O ATOM 79 OE2 GLU A 6 -6.949 14.637 -3.142 1.00 0.00 O ATOM 0 H GLU A 6 -6.079 10.668 -3.297 1.00 0.00 H new ATOM 0 HA GLU A 6 -3.560 10.684 -1.993 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -4.312 12.915 -1.191 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -4.507 12.709 -2.920 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -6.921 12.199 -2.571 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -6.714 12.457 -0.850 1.00 0.00 H new ATOM 86 N GLU A 7 -6.173 10.127 -0.081 1.00 0.00 N ATOM 87 CA GLU A 7 -6.573 9.713 1.259 1.00 0.00 C ATOM 88 C GLU A 7 -5.911 8.391 1.630 1.00 0.00 C ATOM 89 O GLU A 7 -5.239 8.274 2.661 1.00 0.00 O ATOM 90 CB GLU A 7 -8.091 9.557 1.345 1.00 0.00 C ATOM 91 CG GLU A 7 -8.874 10.754 0.828 1.00 0.00 C ATOM 92 CD GLU A 7 -9.296 10.586 -0.619 1.00 0.00 C ATOM 93 OE1 GLU A 7 -8.420 10.596 -1.506 1.00 0.00 O ATOM 94 OE2 GLU A 7 -10.507 10.405 -0.871 1.00 0.00 O ATOM 0 H GLU A 7 -6.937 10.171 -0.755 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.252 10.486 1.957 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.386 8.673 0.780 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.368 9.378 2.384 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.759 10.901 1.447 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.265 11.653 0.924 1.00 0.00 H new ATOM 101 N ILE A 8 -6.088 7.404 0.766 1.00 0.00 N ATOM 102 CA ILE A 8 -5.568 6.071 1.014 1.00 0.00 C ATOM 103 C ILE A 8 -4.038 6.083 0.950 1.00 0.00 C ATOM 104 O ILE A 8 -3.375 5.321 1.649 1.00 0.00 O ATOM 105 CB ILE A 8 -6.169 5.062 0.002 1.00 0.00 C ATOM 106 CG1 ILE A 8 -6.121 3.617 0.531 1.00 0.00 C ATOM 107 CG2 ILE A 8 -5.465 5.172 -1.340 1.00 0.00 C ATOM 108 CD1 ILE A 8 -4.769 2.938 0.433 1.00 0.00 C ATOM 0 H ILE A 8 -6.590 7.503 -0.116 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.861 5.753 2.015 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.220 5.319 -0.133 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -6.434 3.619 1.575 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.850 3.021 -0.019 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -5.899 4.457 -2.038 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -5.586 6.182 -1.733 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -4.404 4.957 -1.213 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -4.841 1.926 0.831 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -4.458 2.896 -0.611 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.036 3.503 1.008 1.00 0.00 H new ATOM 120 N VAL A 9 -3.486 6.979 0.134 1.00 0.00 N ATOM 121 CA VAL A 9 -2.041 7.136 0.030 1.00 0.00 C ATOM 122 C VAL A 9 -1.448 7.574 1.363 1.00 0.00 C ATOM 123 O VAL A 9 -0.393 7.092 1.755 1.00 0.00 O ATOM 124 CB VAL A 9 -1.655 8.127 -1.100 1.00 0.00 C ATOM 125 CG1 VAL A 9 -0.327 8.824 -0.815 1.00 0.00 C ATOM 126 CG2 VAL A 9 -1.574 7.393 -2.430 1.00 0.00 C ATOM 0 H VAL A 9 -4.021 7.608 -0.465 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.621 6.164 -0.229 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.431 8.891 -1.147 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.093 9.509 -1.630 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.402 9.382 0.118 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.464 8.079 -0.729 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.303 8.096 -3.218 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.819 6.609 -2.368 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.542 6.947 -2.659 1.00 0.00 H new ATOM 136 N ALA A 10 -2.136 8.464 2.074 1.00 0.00 N ATOM 137 CA ALA A 10 -1.690 8.867 3.406 1.00 0.00 C ATOM 138 C ALA A 10 -1.705 7.672 4.347 1.00 0.00 C ATOM 139 O ALA A 10 -0.798 7.495 5.163 1.00 0.00 O ATOM 140 CB ALA A 10 -2.559 9.982 3.962 1.00 0.00 C ATOM 0 H ALA A 10 -2.994 8.915 1.756 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.670 9.243 3.322 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.203 10.261 4.954 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.507 10.848 3.301 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.591 9.639 4.030 1.00 0.00 H new ATOM 146 N GLY A 11 -2.742 6.853 4.223 1.00 0.00 N ATOM 147 CA GLY A 11 -2.827 5.638 5.007 1.00 0.00 C ATOM 148 C GLY A 11 -1.722 4.659 4.659 1.00 0.00 C ATOM 149 O GLY A 11 -1.061 4.120 5.543 1.00 0.00 O ATOM 0 H GLY A 11 -3.527 7.010 3.591 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.771 5.886 6.067 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.795 5.166 4.840 1.00 0.00 H new ATOM 153 N LEU A 12 -1.522 4.442 3.364 1.00 0.00 N ATOM 154 CA LEU A 12 -0.466 3.563 2.873 1.00 0.00 C ATOM 155 C LEU A 12 0.899 4.106 3.297 1.00 0.00 C ATOM 156 O LEU A 12 1.793 3.351 3.669 1.00 0.00 O ATOM 157 CB LEU A 12 -0.548 3.456 1.339 1.00 0.00 C ATOM 158 CG LEU A 12 -0.444 2.040 0.757 1.00 0.00 C ATOM 159 CD1 LEU A 12 0.859 1.380 1.157 1.00 0.00 C ATOM 160 CD2 LEU A 12 -1.623 1.193 1.201 1.00 0.00 C ATOM 0 H LEU A 12 -2.084 4.868 2.627 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.596 2.569 3.301 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.493 3.892 1.014 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.248 4.063 0.909 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.463 2.122 -0.330 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.905 0.378 0.731 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.696 1.972 0.785 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.915 1.315 2.244 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.532 0.192 0.778 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.635 1.128 2.289 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.550 1.650 0.855 1.00 0.00 H new ATOM 172 N ALA A 13 1.036 5.425 3.245 1.00 0.00 N ATOM 173 CA ALA A 13 2.255 6.107 3.664 1.00 0.00 C ATOM 174 C ALA A 13 2.590 5.794 5.112 1.00 0.00 C ATOM 175 O ALA A 13 3.687 5.324 5.415 1.00 0.00 O ATOM 176 CB ALA A 13 2.084 7.600 3.492 1.00 0.00 C ATOM 0 H ALA A 13 0.305 6.053 2.911 1.00 0.00 H new ATOM 0 HA ALA A 13 3.077 5.754 3.041 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.995 8.109 3.805 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.885 7.825 2.444 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.249 7.943 4.102 1.00 0.00 H new ATOM 182 N GLU A 14 1.629 6.064 5.993 1.00 0.00 N ATOM 183 CA GLU A 14 1.760 5.776 7.421 1.00 0.00 C ATOM 184 C GLU A 14 2.210 4.336 7.618 1.00 0.00 C ATOM 185 O GLU A 14 3.066 4.029 8.449 1.00 0.00 O ATOM 186 CB GLU A 14 0.404 5.979 8.098 1.00 0.00 C ATOM 187 CG GLU A 14 0.453 5.876 9.614 1.00 0.00 C ATOM 188 CD GLU A 14 -0.908 5.611 10.228 1.00 0.00 C ATOM 189 OE1 GLU A 14 -1.860 6.360 9.930 1.00 0.00 O ATOM 190 OE2 GLU A 14 -1.037 4.640 11.009 1.00 0.00 O ATOM 0 H GLU A 14 0.737 6.489 5.738 1.00 0.00 H new ATOM 0 HA GLU A 14 2.499 6.446 7.860 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.014 6.959 7.822 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.297 5.237 7.715 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.137 5.076 9.898 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.858 6.801 10.024 1.00 0.00 H new ATOM 197 N ILE A 15 1.625 3.477 6.810 1.00 0.00 N ATOM 198 CA ILE A 15 1.882 2.056 6.840 1.00 0.00 C ATOM 199 C ILE A 15 3.321 1.714 6.471 1.00 0.00 C ATOM 200 O ILE A 15 4.032 1.091 7.255 1.00 0.00 O ATOM 201 CB ILE A 15 0.905 1.346 5.887 1.00 0.00 C ATOM 202 CG1 ILE A 15 -0.480 1.248 6.533 1.00 0.00 C ATOM 203 CG2 ILE A 15 1.423 -0.017 5.466 1.00 0.00 C ATOM 204 CD1 ILE A 15 -0.494 0.540 7.871 1.00 0.00 C ATOM 0 H ILE A 15 0.945 3.754 6.102 1.00 0.00 H new ATOM 0 HA ILE A 15 1.730 1.711 7.863 1.00 0.00 H new ATOM 0 HB ILE A 15 0.819 1.942 4.978 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.879 2.254 6.663 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.150 0.725 5.851 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.705 -0.487 4.793 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.378 0.099 4.954 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.558 -0.643 6.348 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.512 0.514 8.258 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.127 -0.479 7.747 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.148 1.074 8.572 1.00 0.00 H new ATOM 216 N VAL A 16 3.755 2.120 5.288 1.00 0.00 N ATOM 217 CA VAL A 16 5.078 1.744 4.812 1.00 0.00 C ATOM 218 C VAL A 16 6.155 2.496 5.584 1.00 0.00 C ATOM 219 O VAL A 16 7.299 2.046 5.680 1.00 0.00 O ATOM 220 CB VAL A 16 5.251 1.990 3.300 1.00 0.00 C ATOM 221 CG1 VAL A 16 6.475 1.243 2.787 1.00 0.00 C ATOM 222 CG2 VAL A 16 4.000 1.571 2.537 1.00 0.00 C ATOM 0 H VAL A 16 3.218 2.703 4.646 1.00 0.00 H new ATOM 0 HA VAL A 16 5.184 0.673 4.985 1.00 0.00 H new ATOM 0 HB VAL A 16 5.400 3.057 3.135 1.00 0.00 H new ATOM 0 HG11 VAL A 16 6.589 1.423 1.718 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.363 1.596 3.311 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.350 0.175 2.964 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.145 1.754 1.472 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.812 0.510 2.701 1.00 0.00 H new ATOM 0 HG23 VAL A 16 3.147 2.149 2.891 1.00 0.00 H new ATOM 232 N ASN A 17 5.780 3.641 6.140 1.00 0.00 N ATOM 233 CA ASN A 17 6.668 4.405 7.012 1.00 0.00 C ATOM 234 C ASN A 17 7.068 3.550 8.212 1.00 0.00 C ATOM 235 O ASN A 17 8.165 3.687 8.752 1.00 0.00 O ATOM 236 CB ASN A 17 5.975 5.683 7.500 1.00 0.00 C ATOM 237 CG ASN A 17 6.922 6.644 8.201 1.00 0.00 C ATOM 238 OD1 ASN A 17 6.580 7.226 9.229 1.00 0.00 O ATOM 239 ND2 ASN A 17 8.099 6.856 7.627 1.00 0.00 N ATOM 0 H ASN A 17 4.862 4.064 6.003 1.00 0.00 H new ATOM 0 HA ASN A 17 7.557 4.683 6.447 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.518 6.189 6.650 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.169 5.414 8.182 1.00 0.00 H new ATOM 0 HD21 ASN A 17 8.755 7.520 8.038 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.348 6.355 6.774 1.00 0.00 H new ATOM 246 N GLU A 18 6.166 2.651 8.606 1.00 0.00 N ATOM 247 CA GLU A 18 6.412 1.735 9.713 1.00 0.00 C ATOM 248 C GLU A 18 7.296 0.577 9.259 1.00 0.00 C ATOM 249 O GLU A 18 7.950 -0.081 10.070 1.00 0.00 O ATOM 250 CB GLU A 18 5.078 1.201 10.261 1.00 0.00 C ATOM 251 CG GLU A 18 5.205 0.490 11.599 1.00 0.00 C ATOM 252 CD GLU A 18 3.905 0.470 12.380 1.00 0.00 C ATOM 253 OE1 GLU A 18 2.932 -0.163 11.919 1.00 0.00 O ATOM 254 OE2 GLU A 18 3.856 1.080 13.471 1.00 0.00 O ATOM 0 H GLU A 18 5.251 2.540 8.169 1.00 0.00 H new ATOM 0 HA GLU A 18 6.929 2.276 10.506 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.381 2.032 10.366 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.647 0.513 9.534 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.538 -0.534 11.431 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.974 0.982 12.195 1.00 0.00 H new ATOM 261 N ILE A 19 7.328 0.353 7.952 1.00 0.00 N ATOM 262 CA ILE A 19 8.055 -0.772 7.387 1.00 0.00 C ATOM 263 C ILE A 19 9.498 -0.405 7.045 1.00 0.00 C ATOM 264 O ILE A 19 10.435 -1.063 7.499 1.00 0.00 O ATOM 265 CB ILE A 19 7.372 -1.288 6.103 1.00 0.00 C ATOM 266 CG1 ILE A 19 5.912 -1.652 6.373 1.00 0.00 C ATOM 267 CG2 ILE A 19 8.126 -2.486 5.557 1.00 0.00 C ATOM 268 CD1 ILE A 19 5.180 -2.206 5.165 1.00 0.00 C ATOM 0 H ILE A 19 6.857 0.939 7.263 1.00 0.00 H new ATOM 0 HA ILE A 19 8.053 -1.550 8.151 1.00 0.00 H new ATOM 0 HB ILE A 19 7.390 -0.492 5.358 1.00 0.00 H new ATOM 0 HG12 ILE A 19 5.874 -2.388 7.176 1.00 0.00 H new ATOM 0 HG13 ILE A 19 5.387 -0.765 6.728 1.00 0.00 H new ATOM 0 HG21 ILE A 19 7.636 -2.842 4.651 1.00 0.00 H new ATOM 0 HG22 ILE A 19 9.151 -2.196 5.325 1.00 0.00 H new ATOM 0 HG23 ILE A 19 8.134 -3.281 6.302 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.151 -2.440 5.439 1.00 0.00 H new ATOM 0 HD12 ILE A 19 5.184 -1.465 4.366 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.679 -3.112 4.821 1.00 0.00 H new ATOM 280 N ALA A 20 9.678 0.649 6.256 1.00 0.00 N ATOM 281 CA ALA A 20 10.998 0.983 5.749 1.00 0.00 C ATOM 282 C ALA A 20 11.332 2.460 5.959 1.00 0.00 C ATOM 283 O ALA A 20 11.815 2.840 7.027 1.00 0.00 O ATOM 284 CB ALA A 20 11.106 0.592 4.284 1.00 0.00 C ATOM 0 H ALA A 20 8.933 1.279 5.958 1.00 0.00 H new ATOM 0 HA ALA A 20 11.734 0.413 6.317 1.00 0.00 H new ATOM 0 HB1 ALA A 20 12.099 0.846 3.912 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.943 -0.481 4.181 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.354 1.130 3.707 1.00 0.00 H new ATOM 290 N GLY A 21 11.067 3.304 4.960 1.00 0.00 N ATOM 291 CA GLY A 21 11.385 4.711 5.119 1.00 0.00 C ATOM 292 C GLY A 21 11.053 5.596 3.926 1.00 0.00 C ATOM 293 O GLY A 21 11.825 6.497 3.601 1.00 0.00 O ATOM 0 H GLY A 21 10.649 3.045 4.067 1.00 0.00 H new ATOM 0 HA2 GLY A 21 10.851 5.090 5.990 1.00 0.00 H new ATOM 0 HA3 GLY A 21 12.450 4.803 5.333 1.00 0.00 H new ATOM 297 N ILE A 22 9.925 5.359 3.265 1.00 0.00 N ATOM 298 CA ILE A 22 9.414 6.346 2.314 1.00 0.00 C ATOM 299 C ILE A 22 8.556 7.355 3.073 1.00 0.00 C ATOM 300 O ILE A 22 7.626 6.966 3.786 1.00 0.00 O ATOM 301 CB ILE A 22 8.571 5.723 1.162 1.00 0.00 C ATOM 302 CG1 ILE A 22 9.455 4.968 0.157 1.00 0.00 C ATOM 303 CG2 ILE A 22 7.761 6.797 0.440 1.00 0.00 C ATOM 304 CD1 ILE A 22 10.529 5.817 -0.487 1.00 0.00 C ATOM 0 H ILE A 22 9.358 4.517 3.364 1.00 0.00 H new ATOM 0 HA ILE A 22 10.277 6.820 1.847 1.00 0.00 H new ATOM 0 HB ILE A 22 7.885 5.007 1.615 1.00 0.00 H new ATOM 0 HG12 ILE A 22 9.928 4.128 0.666 1.00 0.00 H new ATOM 0 HG13 ILE A 22 8.821 4.550 -0.625 1.00 0.00 H new ATOM 0 HG21 ILE A 22 7.180 6.338 -0.360 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.086 7.280 1.147 1.00 0.00 H new ATOM 0 HG23 ILE A 22 8.437 7.540 0.018 1.00 0.00 H new ATOM 0 HD11 ILE A 22 11.107 5.207 -1.182 1.00 0.00 H new ATOM 0 HD12 ILE A 22 10.065 6.642 -1.027 1.00 0.00 H new ATOM 0 HD13 ILE A 22 11.190 6.214 0.284 1.00 0.00 H new ATOM 316 N PRO A 23 8.882 8.658 2.967 1.00 0.00 N ATOM 317 CA PRO A 23 8.114 9.724 3.621 1.00 0.00 C ATOM 318 C PRO A 23 6.659 9.747 3.160 1.00 0.00 C ATOM 319 O PRO A 23 6.347 9.311 2.052 1.00 0.00 O ATOM 320 CB PRO A 23 8.832 11.010 3.195 1.00 0.00 C ATOM 321 CG PRO A 23 10.193 10.573 2.769 1.00 0.00 C ATOM 322 CD PRO A 23 10.026 9.192 2.208 1.00 0.00 C ATOM 0 HA PRO A 23 8.074 9.590 4.702 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.304 11.505 2.380 1.00 0.00 H new ATOM 0 HB3 PRO A 23 8.886 11.722 4.018 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.604 11.251 2.021 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.884 10.571 3.612 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.824 9.214 1.137 1.00 0.00 H new ATOM 0 HD3 PRO A 23 10.922 8.588 2.351 1.00 0.00 H new ATOM 330 N VAL A 24 5.781 10.285 4.003 1.00 0.00 N ATOM 331 CA VAL A 24 4.343 10.250 3.748 1.00 0.00 C ATOM 332 C VAL A 24 3.988 10.905 2.413 1.00 0.00 C ATOM 333 O VAL A 24 3.158 10.400 1.662 1.00 0.00 O ATOM 334 CB VAL A 24 3.549 10.935 4.892 1.00 0.00 C ATOM 335 CG1 VAL A 24 2.062 10.998 4.572 1.00 0.00 C ATOM 336 CG2 VAL A 24 3.776 10.210 6.213 1.00 0.00 C ATOM 0 H VAL A 24 6.041 10.752 4.872 1.00 0.00 H new ATOM 0 HA VAL A 24 4.060 9.198 3.703 1.00 0.00 H new ATOM 0 HB VAL A 24 3.918 11.956 4.986 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.533 11.483 5.393 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.911 11.568 3.655 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.675 9.988 4.439 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.211 10.706 7.002 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.443 9.176 6.123 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.837 10.229 6.461 1.00 0.00 H new ATOM 346 N GLU A 25 4.638 12.014 2.117 1.00 0.00 N ATOM 347 CA GLU A 25 4.339 12.770 0.912 1.00 0.00 C ATOM 348 C GLU A 25 5.026 12.174 -0.321 1.00 0.00 C ATOM 349 O GLU A 25 4.653 12.481 -1.453 1.00 0.00 O ATOM 350 CB GLU A 25 4.718 14.237 1.106 1.00 0.00 C ATOM 351 CG GLU A 25 4.038 14.861 2.321 1.00 0.00 C ATOM 352 CD GLU A 25 4.151 16.368 2.360 1.00 0.00 C ATOM 353 OE1 GLU A 25 3.317 17.044 1.726 1.00 0.00 O ATOM 354 OE2 GLU A 25 5.060 16.886 3.042 1.00 0.00 O ATOM 0 H GLU A 25 5.378 12.414 2.694 1.00 0.00 H new ATOM 0 HA GLU A 25 3.266 12.709 0.732 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.799 14.318 1.218 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.447 14.800 0.213 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.984 14.582 2.322 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.478 14.447 3.228 1.00 0.00 H new ATOM 361 N ASP A 26 6.025 11.318 -0.103 1.00 0.00 N ATOM 362 CA ASP A 26 6.783 10.730 -1.213 1.00 0.00 C ATOM 363 C ASP A 26 6.024 9.559 -1.824 1.00 0.00 C ATOM 364 O ASP A 26 6.348 9.097 -2.921 1.00 0.00 O ATOM 365 CB ASP A 26 8.157 10.233 -0.749 1.00 0.00 C ATOM 366 CG ASP A 26 9.105 9.967 -1.908 1.00 0.00 C ATOM 367 OD1 ASP A 26 9.434 10.916 -2.655 1.00 0.00 O ATOM 368 OD2 ASP A 26 9.543 8.810 -2.069 1.00 0.00 O ATOM 0 H ASP A 26 6.328 11.017 0.823 1.00 0.00 H new ATOM 0 HA ASP A 26 6.917 11.514 -1.958 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.601 10.973 -0.084 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.032 9.318 -0.170 1.00 0.00 H new ATOM 373 N VAL A 27 5.025 9.068 -1.101 1.00 0.00 N ATOM 374 CA VAL A 27 4.253 7.919 -1.550 1.00 0.00 C ATOM 375 C VAL A 27 3.479 8.257 -2.816 1.00 0.00 C ATOM 376 O VAL A 27 2.668 9.180 -2.851 1.00 0.00 O ATOM 377 CB VAL A 27 3.296 7.404 -0.454 1.00 0.00 C ATOM 378 CG1 VAL A 27 2.530 6.175 -0.925 1.00 0.00 C ATOM 379 CG2 VAL A 27 4.076 7.080 0.806 1.00 0.00 C ATOM 0 H VAL A 27 4.731 9.448 -0.201 1.00 0.00 H new ATOM 0 HA VAL A 27 4.959 7.119 -1.770 1.00 0.00 H new ATOM 0 HB VAL A 27 2.573 8.191 -0.238 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.864 5.835 -0.132 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.943 6.428 -1.808 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.234 5.381 -1.173 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.393 6.717 1.574 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.817 6.311 0.588 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.579 7.978 1.163 1.00 0.00 H new ATOM 389 N LYS A 28 3.750 7.487 -3.854 1.00 0.00 N ATOM 390 CA LYS A 28 3.228 7.748 -5.181 1.00 0.00 C ATOM 391 C LYS A 28 2.825 6.432 -5.818 1.00 0.00 C ATOM 392 O LYS A 28 3.458 5.406 -5.568 1.00 0.00 O ATOM 393 CB LYS A 28 4.291 8.451 -6.040 1.00 0.00 C ATOM 394 CG LYS A 28 4.553 9.891 -5.631 1.00 0.00 C ATOM 395 CD LYS A 28 5.926 10.376 -6.084 1.00 0.00 C ATOM 396 CE LYS A 28 6.116 10.285 -7.591 1.00 0.00 C ATOM 397 NZ LYS A 28 4.959 10.832 -8.346 1.00 0.00 N ATOM 0 H LYS A 28 4.342 6.658 -3.799 1.00 0.00 H new ATOM 0 HA LYS A 28 2.358 8.401 -5.111 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.224 7.890 -5.979 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.974 8.431 -7.083 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.783 10.534 -6.057 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.478 9.979 -4.547 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.064 11.410 -5.767 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.697 9.785 -5.589 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.019 10.827 -7.873 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.269 9.243 -7.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.293 11.248 -9.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.285 10.067 -8.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.488 11.564 -7.777 1.00 0.00 H new ATOM 411 N LEU A 29 1.785 6.449 -6.639 1.00 0.00 N ATOM 412 CA LEU A 29 1.323 5.226 -7.286 1.00 0.00 C ATOM 413 C LEU A 29 2.323 4.783 -8.350 1.00 0.00 C ATOM 414 O LEU A 29 2.208 3.698 -8.924 1.00 0.00 O ATOM 415 CB LEU A 29 -0.064 5.417 -7.920 1.00 0.00 C ATOM 416 CG LEU A 29 -1.153 5.967 -6.993 1.00 0.00 C ATOM 417 CD1 LEU A 29 -2.498 5.971 -7.703 1.00 0.00 C ATOM 418 CD2 LEU A 29 -1.236 5.153 -5.711 1.00 0.00 C ATOM 0 H LEU A 29 1.249 7.285 -6.872 1.00 0.00 H new ATOM 0 HA LEU A 29 1.243 4.454 -6.521 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.036 6.091 -8.771 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.398 4.456 -8.312 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.891 6.992 -6.730 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.262 6.364 -7.033 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.438 6.598 -8.592 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.759 4.953 -7.994 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.016 5.563 -5.070 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.472 4.117 -5.953 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.279 5.195 -5.191 1.00 0.00 H new ATOM 430 N ASP A 30 3.310 5.629 -8.596 1.00 0.00 N ATOM 431 CA ASP A 30 4.305 5.371 -9.621 1.00 0.00 C ATOM 432 C ASP A 30 5.666 5.013 -9.020 1.00 0.00 C ATOM 433 O ASP A 30 6.654 4.922 -9.742 1.00 0.00 O ATOM 434 CB ASP A 30 4.434 6.587 -10.545 1.00 0.00 C ATOM 435 CG ASP A 30 4.783 7.859 -9.794 1.00 0.00 C ATOM 436 OD1 ASP A 30 3.867 8.488 -9.213 1.00 0.00 O ATOM 437 OD2 ASP A 30 5.970 8.236 -9.771 1.00 0.00 O ATOM 0 H ASP A 30 3.443 6.507 -8.094 1.00 0.00 H new ATOM 0 HA ASP A 30 3.969 4.511 -10.200 1.00 0.00 H new ATOM 0 HB2 ASP A 30 5.201 6.390 -11.293 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.496 6.732 -11.081 1.00 0.00 H new ATOM 442 N LYS A 31 5.728 4.803 -7.703 1.00 0.00 N ATOM 443 CA LYS A 31 6.961 4.333 -7.091 1.00 0.00 C ATOM 444 C LYS A 31 6.799 2.859 -6.719 1.00 0.00 C ATOM 445 O LYS A 31 5.703 2.414 -6.372 1.00 0.00 O ATOM 446 CB LYS A 31 7.338 5.203 -5.887 1.00 0.00 C ATOM 447 CG LYS A 31 6.794 4.742 -4.547 1.00 0.00 C ATOM 448 CD LYS A 31 6.641 5.898 -3.581 1.00 0.00 C ATOM 449 CE LYS A 31 7.979 6.410 -3.064 1.00 0.00 C ATOM 450 NZ LYS A 31 8.775 7.129 -4.096 1.00 0.00 N ATOM 0 H LYS A 31 4.953 4.949 -7.056 1.00 0.00 H new ATOM 0 HA LYS A 31 7.785 4.418 -7.799 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.425 5.249 -5.821 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.987 6.218 -6.071 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.828 4.258 -4.693 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.463 3.995 -4.119 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.111 6.712 -4.075 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.026 5.583 -2.738 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.803 7.078 -2.221 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.561 5.569 -2.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.274 7.928 -3.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.468 6.477 -4.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.140 7.485 -4.839 1.00 0.00 H new ATOM 464 N SER A 32 7.871 2.098 -6.815 1.00 0.00 N ATOM 465 CA SER A 32 7.781 0.652 -6.675 1.00 0.00 C ATOM 466 C SER A 32 8.090 0.202 -5.248 1.00 0.00 C ATOM 467 O SER A 32 9.015 0.705 -4.627 1.00 0.00 O ATOM 468 CB SER A 32 8.737 -0.009 -7.662 1.00 0.00 C ATOM 469 OG SER A 32 8.544 0.503 -8.970 1.00 0.00 O ATOM 0 H SER A 32 8.812 2.451 -6.989 1.00 0.00 H new ATOM 0 HA SER A 32 6.758 0.347 -6.894 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.767 0.162 -7.348 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.579 -1.087 -7.662 1.00 0.00 H new ATOM 0 HG SER A 32 9.168 0.067 -9.587 1.00 0.00 H new ATOM 475 N PHE A 33 7.311 -0.752 -4.735 1.00 0.00 N ATOM 476 CA PHE A 33 7.531 -1.297 -3.394 1.00 0.00 C ATOM 477 C PHE A 33 8.931 -1.885 -3.288 1.00 0.00 C ATOM 478 O PHE A 33 9.662 -1.632 -2.330 1.00 0.00 O ATOM 479 CB PHE A 33 6.506 -2.392 -3.067 1.00 0.00 C ATOM 480 CG PHE A 33 5.329 -1.931 -2.253 1.00 0.00 C ATOM 481 CD1 PHE A 33 5.517 -1.234 -1.069 1.00 0.00 C ATOM 482 CD2 PHE A 33 4.038 -2.228 -2.652 1.00 0.00 C ATOM 483 CE1 PHE A 33 4.438 -0.835 -0.304 1.00 0.00 C ATOM 484 CE2 PHE A 33 2.954 -1.828 -1.892 1.00 0.00 C ATOM 485 CZ PHE A 33 3.155 -1.134 -0.716 1.00 0.00 C ATOM 0 H PHE A 33 6.520 -1.164 -5.230 1.00 0.00 H new ATOM 0 HA PHE A 33 7.417 -0.479 -2.682 1.00 0.00 H new ATOM 0 HB2 PHE A 33 6.139 -2.818 -4.001 1.00 0.00 H new ATOM 0 HB3 PHE A 33 7.011 -3.194 -2.528 1.00 0.00 H new ATOM 0 HD1 PHE A 33 6.519 -1.000 -0.741 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.875 -2.778 -3.567 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.598 -0.290 0.615 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.951 -2.059 -2.219 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.310 -0.825 -0.119 1.00 0.00 H new ATOM 495 N THR A 34 9.294 -2.656 -4.294 1.00 0.00 N ATOM 496 CA THR A 34 10.567 -3.346 -4.315 1.00 0.00 C ATOM 497 C THR A 34 11.715 -2.404 -4.677 1.00 0.00 C ATOM 498 O THR A 34 12.849 -2.594 -4.239 1.00 0.00 O ATOM 499 CB THR A 34 10.513 -4.497 -5.335 1.00 0.00 C ATOM 500 OG1 THR A 34 10.060 -3.991 -6.598 1.00 0.00 O ATOM 501 CG2 THR A 34 9.569 -5.599 -4.870 1.00 0.00 C ATOM 0 H THR A 34 8.716 -2.821 -5.118 1.00 0.00 H new ATOM 0 HA THR A 34 10.751 -3.736 -3.314 1.00 0.00 H new ATOM 0 HB THR A 34 11.514 -4.917 -5.432 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.026 -4.722 -7.250 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.551 -6.399 -5.610 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.915 -5.996 -3.915 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.565 -5.192 -4.751 1.00 0.00 H new ATOM 509 N ASP A 35 11.412 -1.398 -5.485 1.00 0.00 N ATOM 510 CA ASP A 35 12.437 -0.507 -6.015 1.00 0.00 C ATOM 511 C ASP A 35 12.633 0.730 -5.128 1.00 0.00 C ATOM 512 O ASP A 35 13.756 1.066 -4.753 1.00 0.00 O ATOM 513 CB ASP A 35 12.053 -0.088 -7.431 1.00 0.00 C ATOM 514 CG ASP A 35 13.250 0.109 -8.333 1.00 0.00 C ATOM 515 OD1 ASP A 35 13.918 1.155 -8.231 1.00 0.00 O ATOM 516 OD2 ASP A 35 13.530 -0.794 -9.153 1.00 0.00 O ATOM 0 H ASP A 35 10.464 -1.177 -5.789 1.00 0.00 H new ATOM 0 HA ASP A 35 13.385 -1.045 -6.030 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.400 -0.846 -7.864 1.00 0.00 H new ATOM 0 HB3 ASP A 35 11.481 0.839 -7.387 1.00 0.00 H new ATOM 521 N ASP A 36 11.524 1.396 -4.796 1.00 0.00 N ATOM 522 CA ASP A 36 11.546 2.645 -4.026 1.00 0.00 C ATOM 523 C ASP A 36 11.352 2.394 -2.539 1.00 0.00 C ATOM 524 O ASP A 36 12.130 2.863 -1.715 1.00 0.00 O ATOM 525 CB ASP A 36 10.417 3.584 -4.467 1.00 0.00 C ATOM 526 CG ASP A 36 10.594 4.169 -5.847 1.00 0.00 C ATOM 527 OD1 ASP A 36 10.219 3.491 -6.827 1.00 0.00 O ATOM 528 OD2 ASP A 36 11.046 5.331 -5.943 1.00 0.00 O ATOM 0 H ASP A 36 10.587 1.086 -5.052 1.00 0.00 H new ATOM 0 HA ASP A 36 12.522 3.094 -4.210 1.00 0.00 H new ATOM 0 HB2 ASP A 36 9.474 3.038 -4.436 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.337 4.399 -3.748 1.00 0.00 H new ATOM 533 N LEU A 37 10.289 1.660 -2.211 1.00 0.00 N ATOM 534 CA LEU A 37 9.829 1.528 -0.826 1.00 0.00 C ATOM 535 C LEU A 37 10.824 0.744 0.028 1.00 0.00 C ATOM 536 O LEU A 37 10.699 0.724 1.253 1.00 0.00 O ATOM 537 CB LEU A 37 8.442 0.845 -0.757 1.00 0.00 C ATOM 538 CG LEU A 37 7.214 1.679 -1.198 1.00 0.00 C ATOM 539 CD1 LEU A 37 6.972 2.848 -0.271 1.00 0.00 C ATOM 540 CD2 LEU A 37 7.368 2.196 -2.610 1.00 0.00 C ATOM 0 H LEU A 37 9.727 1.145 -2.888 1.00 0.00 H new ATOM 0 HA LEU A 37 9.748 2.539 -0.427 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.478 -0.053 -1.373 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.277 0.520 0.270 1.00 0.00 H new ATOM 0 HG LEU A 37 6.357 1.006 -1.156 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.102 3.409 -0.613 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.792 2.480 0.739 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.846 3.499 -0.270 1.00 0.00 H new ATOM 0 HD21 LEU A 37 6.487 2.776 -2.883 1.00 0.00 H new ATOM 0 HD22 LEU A 37 8.253 2.830 -2.671 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.476 1.355 -3.296 1.00 0.00 H new ATOM 552 N ASP A 38 11.802 0.108 -0.625 1.00 0.00 N ATOM 553 CA ASP A 38 12.799 -0.722 0.065 1.00 0.00 C ATOM 554 C ASP A 38 12.116 -1.836 0.851 1.00 0.00 C ATOM 555 O ASP A 38 12.578 -2.234 1.922 1.00 0.00 O ATOM 556 CB ASP A 38 13.665 0.122 1.013 1.00 0.00 C ATOM 557 CG ASP A 38 14.924 0.660 0.358 1.00 0.00 C ATOM 558 OD1 ASP A 38 15.949 -0.058 0.350 1.00 0.00 O ATOM 559 OD2 ASP A 38 14.911 1.815 -0.121 1.00 0.00 O ATOM 0 H ASP A 38 11.926 0.152 -1.636 1.00 0.00 H new ATOM 0 HA ASP A 38 13.445 -1.162 -0.695 1.00 0.00 H new ATOM 0 HB2 ASP A 38 13.073 0.957 1.387 1.00 0.00 H new ATOM 0 HB3 ASP A 38 13.943 -0.484 1.876 1.00 0.00 H new ATOM 564 N VAL A 39 11.029 -2.363 0.300 1.00 0.00 N ATOM 565 CA VAL A 39 10.201 -3.307 1.027 1.00 0.00 C ATOM 566 C VAL A 39 10.514 -4.751 0.624 1.00 0.00 C ATOM 567 O VAL A 39 10.910 -5.017 -0.514 1.00 0.00 O ATOM 568 CB VAL A 39 8.697 -2.994 0.814 1.00 0.00 C ATOM 569 CG1 VAL A 39 8.076 -3.873 -0.263 1.00 0.00 C ATOM 570 CG2 VAL A 39 7.942 -3.114 2.125 1.00 0.00 C ATOM 0 H VAL A 39 10.705 -2.152 -0.644 1.00 0.00 H new ATOM 0 HA VAL A 39 10.430 -3.201 2.087 1.00 0.00 H new ATOM 0 HB VAL A 39 8.620 -1.965 0.462 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.022 -3.618 -0.378 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.593 -3.710 -1.208 1.00 0.00 H new ATOM 0 HG13 VAL A 39 8.167 -4.920 0.025 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.888 -2.891 1.959 1.00 0.00 H new ATOM 0 HG22 VAL A 39 8.042 -4.128 2.511 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.353 -2.408 2.847 1.00 0.00 H new ATOM 580 N ASP A 40 10.354 -5.670 1.572 1.00 0.00 N ATOM 581 CA ASP A 40 10.546 -7.096 1.314 1.00 0.00 C ATOM 582 C ASP A 40 9.204 -7.816 1.316 1.00 0.00 C ATOM 583 O ASP A 40 8.181 -7.217 1.654 1.00 0.00 O ATOM 584 CB ASP A 40 11.457 -7.728 2.369 1.00 0.00 C ATOM 585 CG ASP A 40 12.896 -7.283 2.253 1.00 0.00 C ATOM 586 OD1 ASP A 40 13.253 -6.258 2.859 1.00 0.00 O ATOM 587 OD2 ASP A 40 13.685 -7.974 1.572 1.00 0.00 O ATOM 0 H ASP A 40 10.090 -5.451 2.533 1.00 0.00 H new ATOM 0 HA ASP A 40 11.017 -7.197 0.336 1.00 0.00 H new ATOM 0 HB2 ASP A 40 11.084 -7.475 3.361 1.00 0.00 H new ATOM 0 HB3 ASP A 40 11.410 -8.813 2.278 1.00 0.00 H new ATOM 592 N SER A 41 9.227 -9.108 0.978 1.00 0.00 N ATOM 593 CA SER A 41 8.013 -9.921 0.868 1.00 0.00 C ATOM 594 C SER A 41 7.138 -9.819 2.117 1.00 0.00 C ATOM 595 O SER A 41 5.981 -9.399 2.047 1.00 0.00 O ATOM 596 CB SER A 41 8.391 -11.386 0.620 1.00 0.00 C ATOM 597 OG SER A 41 9.195 -11.519 -0.543 1.00 0.00 O ATOM 0 H SER A 41 10.086 -9.619 0.773 1.00 0.00 H new ATOM 0 HA SER A 41 7.435 -9.537 0.028 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.929 -11.777 1.484 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.486 -11.984 0.510 1.00 0.00 H new ATOM 0 HG SER A 41 9.423 -12.463 -0.677 1.00 0.00 H new ATOM 603 N LEU A 42 7.688 -10.195 3.261 1.00 0.00 N ATOM 604 CA LEU A 42 6.919 -10.172 4.493 1.00 0.00 C ATOM 605 C LEU A 42 6.621 -8.743 4.922 1.00 0.00 C ATOM 606 O LEU A 42 5.516 -8.442 5.356 1.00 0.00 O ATOM 607 CB LEU A 42 7.648 -10.917 5.612 1.00 0.00 C ATOM 608 CG LEU A 42 6.963 -10.849 6.980 1.00 0.00 C ATOM 609 CD1 LEU A 42 5.494 -11.227 6.857 1.00 0.00 C ATOM 610 CD2 LEU A 42 7.675 -11.754 7.976 1.00 0.00 C ATOM 0 H LEU A 42 8.651 -10.516 3.361 1.00 0.00 H new ATOM 0 HA LEU A 42 5.974 -10.681 4.300 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.752 -11.963 5.325 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.655 -10.510 5.705 1.00 0.00 H new ATOM 0 HG LEU A 42 7.021 -9.825 7.349 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.021 -11.174 7.838 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.996 -10.536 6.176 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.411 -12.242 6.469 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.176 -11.694 8.943 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.648 -12.783 7.617 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.711 -11.434 8.082 1.00 0.00 H new ATOM 622 N SER A 43 7.606 -7.873 4.780 1.00 0.00 N ATOM 623 CA SER A 43 7.470 -6.480 5.174 1.00 0.00 C ATOM 624 C SER A 43 6.199 -5.865 4.585 1.00 0.00 C ATOM 625 O SER A 43 5.317 -5.384 5.318 1.00 0.00 O ATOM 626 CB SER A 43 8.699 -5.721 4.685 1.00 0.00 C ATOM 627 OG SER A 43 9.886 -6.431 5.002 1.00 0.00 O ATOM 0 H SER A 43 8.518 -8.110 4.390 1.00 0.00 H new ATOM 0 HA SER A 43 7.394 -6.415 6.259 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.635 -5.572 3.607 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.728 -4.732 5.142 1.00 0.00 H new ATOM 0 HG SER A 43 10.666 -5.900 4.736 1.00 0.00 H new ATOM 633 N MET A 44 6.096 -5.933 3.261 1.00 0.00 N ATOM 634 CA MET A 44 4.978 -5.344 2.543 1.00 0.00 C ATOM 635 C MET A 44 3.668 -6.003 2.944 1.00 0.00 C ATOM 636 O MET A 44 2.706 -5.328 3.262 1.00 0.00 O ATOM 637 CB MET A 44 5.200 -5.443 1.027 1.00 0.00 C ATOM 638 CG MET A 44 5.350 -6.863 0.501 1.00 0.00 C ATOM 639 SD MET A 44 6.161 -6.935 -1.111 1.00 0.00 S ATOM 640 CE MET A 44 5.170 -5.785 -2.065 1.00 0.00 C ATOM 0 H MET A 44 6.781 -6.395 2.663 1.00 0.00 H new ATOM 0 HA MET A 44 4.917 -4.289 2.811 1.00 0.00 H new ATOM 0 HB2 MET A 44 4.361 -4.968 0.518 1.00 0.00 H new ATOM 0 HB3 MET A 44 6.094 -4.876 0.766 1.00 0.00 H new ATOM 0 HG2 MET A 44 5.924 -7.451 1.217 1.00 0.00 H new ATOM 0 HG3 MET A 44 4.365 -7.323 0.427 1.00 0.00 H new ATOM 0 HE1 MET A 44 5.093 -6.137 -3.094 1.00 0.00 H new ATOM 0 HE2 MET A 44 4.173 -5.716 -1.630 1.00 0.00 H new ATOM 0 HE3 MET A 44 5.641 -4.802 -2.053 1.00 0.00 H new ATOM 650 N VAL A 45 3.638 -7.318 2.981 1.00 0.00 N ATOM 651 CA VAL A 45 2.400 -8.013 3.276 1.00 0.00 C ATOM 652 C VAL A 45 1.972 -7.780 4.729 1.00 0.00 C ATOM 653 O VAL A 45 0.791 -7.800 5.044 1.00 0.00 O ATOM 654 CB VAL A 45 2.523 -9.521 2.953 1.00 0.00 C ATOM 655 CG1 VAL A 45 1.276 -10.291 3.372 1.00 0.00 C ATOM 656 CG2 VAL A 45 2.780 -9.698 1.460 1.00 0.00 C ATOM 0 H VAL A 45 4.443 -7.922 2.813 1.00 0.00 H new ATOM 0 HA VAL A 45 1.619 -7.603 2.636 1.00 0.00 H new ATOM 0 HB VAL A 45 3.360 -9.927 3.521 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.401 -11.346 3.129 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.125 -10.182 4.446 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.409 -9.896 2.841 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.867 -10.760 1.229 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.952 -9.271 0.895 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.705 -9.190 1.187 1.00 0.00 H new ATOM 666 N GLU A 46 2.919 -7.469 5.597 1.00 0.00 N ATOM 667 CA GLU A 46 2.612 -7.336 7.014 1.00 0.00 C ATOM 668 C GLU A 46 1.883 -6.027 7.308 1.00 0.00 C ATOM 669 O GLU A 46 0.685 -6.025 7.637 1.00 0.00 O ATOM 670 CB GLU A 46 3.901 -7.416 7.839 1.00 0.00 C ATOM 671 CG GLU A 46 3.689 -7.273 9.340 1.00 0.00 C ATOM 672 CD GLU A 46 2.943 -8.445 9.947 1.00 0.00 C ATOM 673 OE1 GLU A 46 1.707 -8.510 9.799 1.00 0.00 O ATOM 674 OE2 GLU A 46 3.591 -9.291 10.600 1.00 0.00 O ATOM 0 H GLU A 46 3.896 -7.305 5.352 1.00 0.00 H new ATOM 0 HA GLU A 46 1.951 -8.157 7.293 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.387 -8.371 7.641 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.583 -6.635 7.503 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.657 -7.173 9.830 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.135 -6.355 9.537 1.00 0.00 H new ATOM 681 N VAL A 47 2.555 -4.898 7.122 1.00 0.00 N ATOM 682 CA VAL A 47 1.955 -3.649 7.525 1.00 0.00 C ATOM 683 C VAL A 47 1.033 -3.121 6.430 1.00 0.00 C ATOM 684 O VAL A 47 0.079 -2.401 6.709 1.00 0.00 O ATOM 685 CB VAL A 47 3.024 -2.606 7.913 1.00 0.00 C ATOM 686 CG1 VAL A 47 2.396 -1.424 8.635 1.00 0.00 C ATOM 687 CG2 VAL A 47 4.093 -3.248 8.789 1.00 0.00 C ATOM 0 H VAL A 47 3.485 -4.827 6.708 1.00 0.00 H new ATOM 0 HA VAL A 47 1.353 -3.836 8.415 1.00 0.00 H new ATOM 0 HB VAL A 47 3.488 -2.239 6.997 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.171 -0.704 8.897 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.663 -0.947 7.984 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.903 -1.772 9.542 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.841 -2.502 9.056 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.633 -3.641 9.696 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.571 -4.061 8.243 1.00 0.00 H new ATOM 697 N VAL A 48 1.276 -3.517 5.184 1.00 0.00 N ATOM 698 CA VAL A 48 0.427 -3.057 4.088 1.00 0.00 C ATOM 699 C VAL A 48 -0.898 -3.831 4.076 1.00 0.00 C ATOM 700 O VAL A 48 -1.891 -3.362 3.526 1.00 0.00 O ATOM 701 CB VAL A 48 1.138 -3.129 2.712 1.00 0.00 C ATOM 702 CG1 VAL A 48 0.286 -2.538 1.592 1.00 0.00 C ATOM 703 CG2 VAL A 48 2.472 -2.407 2.781 1.00 0.00 C ATOM 0 H VAL A 48 2.035 -4.141 4.911 1.00 0.00 H new ATOM 0 HA VAL A 48 0.212 -2.003 4.264 1.00 0.00 H new ATOM 0 HB VAL A 48 1.298 -4.182 2.481 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.825 -2.611 0.648 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.651 -3.090 1.518 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.075 -1.491 1.809 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.966 -2.462 1.811 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.307 -1.363 3.046 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.102 -2.878 3.536 1.00 0.00 H new ATOM 713 N VAL A 49 -0.930 -5.007 4.712 1.00 0.00 N ATOM 714 CA VAL A 49 -2.206 -5.673 4.980 1.00 0.00 C ATOM 715 C VAL A 49 -2.915 -4.955 6.122 1.00 0.00 C ATOM 716 O VAL A 49 -4.135 -4.842 6.148 1.00 0.00 O ATOM 717 CB VAL A 49 -2.034 -7.179 5.292 1.00 0.00 C ATOM 718 CG1 VAL A 49 -3.179 -7.726 6.136 1.00 0.00 C ATOM 719 CG2 VAL A 49 -1.931 -7.959 3.992 1.00 0.00 C ATOM 0 H VAL A 49 -0.105 -5.507 5.044 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.814 -5.618 4.077 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.118 -7.295 5.872 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.014 -8.786 6.329 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.223 -7.187 7.082 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.120 -7.597 5.601 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.810 -9.020 4.213 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -2.838 -7.812 3.406 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.071 -7.606 3.423 1.00 0.00 H new ATOM 729 N ALA A 50 -2.141 -4.428 7.055 1.00 0.00 N ATOM 730 CA ALA A 50 -2.704 -3.541 8.062 1.00 0.00 C ATOM 731 C ALA A 50 -3.245 -2.261 7.406 1.00 0.00 C ATOM 732 O ALA A 50 -4.035 -1.528 8.004 1.00 0.00 O ATOM 733 CB ALA A 50 -1.666 -3.214 9.123 1.00 0.00 C ATOM 0 H ALA A 50 -1.138 -4.594 7.138 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.536 -4.049 8.550 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.104 -2.550 9.868 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.337 -4.134 9.606 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.812 -2.723 8.657 1.00 0.00 H new ATOM 739 N ALA A 51 -2.797 -1.990 6.177 1.00 0.00 N ATOM 740 CA ALA A 51 -3.288 -0.849 5.403 1.00 0.00 C ATOM 741 C ALA A 51 -4.599 -1.163 4.703 1.00 0.00 C ATOM 742 O ALA A 51 -5.478 -0.308 4.619 1.00 0.00 O ATOM 743 CB ALA A 51 -2.263 -0.410 4.370 1.00 0.00 C ATOM 0 H ALA A 51 -2.092 -2.549 5.696 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.458 -0.039 6.113 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.653 0.439 3.809 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.341 -0.120 4.873 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.059 -1.234 3.686 1.00 0.00 H new ATOM 749 N GLU A 52 -4.735 -2.380 4.197 1.00 0.00 N ATOM 750 CA GLU A 52 -5.921 -2.737 3.446 1.00 0.00 C ATOM 751 C GLU A 52 -7.142 -2.741 4.362 1.00 0.00 C ATOM 752 O GLU A 52 -8.173 -2.139 4.056 1.00 0.00 O ATOM 753 CB GLU A 52 -5.728 -4.089 2.745 1.00 0.00 C ATOM 754 CG GLU A 52 -5.469 -5.256 3.676 1.00 0.00 C ATOM 755 CD GLU A 52 -6.624 -6.240 3.732 1.00 0.00 C ATOM 756 OE1 GLU A 52 -6.911 -6.887 2.703 1.00 0.00 O ATOM 757 OE2 GLU A 52 -7.253 -6.354 4.805 1.00 0.00 O ATOM 0 H GLU A 52 -4.046 -3.126 4.293 1.00 0.00 H new ATOM 0 HA GLU A 52 -6.091 -1.990 2.670 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.617 -4.305 2.153 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.893 -4.006 2.049 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.569 -5.779 3.352 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.274 -4.877 4.679 1.00 0.00 H new ATOM 764 N GLU A 53 -6.988 -3.351 5.521 1.00 0.00 N ATOM 765 CA GLU A 53 -8.090 -3.541 6.439 1.00 0.00 C ATOM 766 C GLU A 53 -8.580 -2.223 7.038 1.00 0.00 C ATOM 767 O GLU A 53 -9.749 -2.099 7.406 1.00 0.00 O ATOM 768 CB GLU A 53 -7.657 -4.485 7.548 1.00 0.00 C ATOM 769 CG GLU A 53 -6.659 -3.866 8.514 1.00 0.00 C ATOM 770 CD GLU A 53 -6.347 -4.761 9.694 1.00 0.00 C ATOM 771 OE1 GLU A 53 -7.171 -4.825 10.634 1.00 0.00 O ATOM 772 OE2 GLU A 53 -5.273 -5.394 9.694 1.00 0.00 O ATOM 0 H GLU A 53 -6.099 -3.727 5.850 1.00 0.00 H new ATOM 0 HA GLU A 53 -8.923 -3.968 5.880 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -8.537 -4.808 8.104 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -7.216 -5.377 7.104 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.735 -3.642 7.980 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -7.054 -2.918 8.878 1.00 0.00 H new ATOM 779 N ARG A 54 -7.694 -1.233 7.129 1.00 0.00 N ATOM 780 CA ARG A 54 -8.042 0.028 7.776 1.00 0.00 C ATOM 781 C ARG A 54 -8.859 0.922 6.849 1.00 0.00 C ATOM 782 O ARG A 54 -9.357 1.968 7.263 1.00 0.00 O ATOM 783 CB ARG A 54 -6.793 0.761 8.275 1.00 0.00 C ATOM 784 CG ARG A 54 -5.826 1.181 7.185 1.00 0.00 C ATOM 785 CD ARG A 54 -4.648 1.948 7.763 1.00 0.00 C ATOM 786 NE ARG A 54 -3.949 1.181 8.791 1.00 0.00 N ATOM 787 CZ ARG A 54 -3.145 1.722 9.703 1.00 0.00 C ATOM 788 NH1 ARG A 54 -2.879 3.025 9.675 1.00 0.00 N ATOM 789 NH2 ARG A 54 -2.588 0.954 10.634 1.00 0.00 N ATOM 0 H ARG A 54 -6.741 -1.279 6.767 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.660 -0.211 8.641 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.105 1.648 8.826 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.267 0.116 8.979 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.465 0.299 6.656 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -6.344 1.802 6.454 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.952 2.201 6.963 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.000 2.888 8.188 1.00 0.00 H new ATOM 0 HE ARG A 54 -4.085 0.170 8.811 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.292 3.614 8.952 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.262 3.435 10.376 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.777 -0.048 10.649 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.971 1.367 11.334 1.00 0.00 H new ATOM 803 N PHE A 55 -8.995 0.505 5.600 1.00 0.00 N ATOM 804 CA PHE A 55 -9.859 1.197 4.653 1.00 0.00 C ATOM 805 C PHE A 55 -10.995 0.275 4.231 1.00 0.00 C ATOM 806 O PHE A 55 -11.686 0.533 3.247 1.00 0.00 O ATOM 807 CB PHE A 55 -9.067 1.669 3.430 1.00 0.00 C ATOM 808 CG PHE A 55 -8.108 2.789 3.734 1.00 0.00 C ATOM 809 CD1 PHE A 55 -8.549 4.103 3.796 1.00 0.00 C ATOM 810 CD2 PHE A 55 -6.768 2.528 3.970 1.00 0.00 C ATOM 811 CE1 PHE A 55 -7.673 5.133 4.086 1.00 0.00 C ATOM 812 CE2 PHE A 55 -5.887 3.554 4.259 1.00 0.00 C ATOM 813 CZ PHE A 55 -6.341 4.858 4.320 1.00 0.00 C ATOM 0 H PHE A 55 -8.518 -0.311 5.217 1.00 0.00 H new ATOM 0 HA PHE A 55 -10.275 2.079 5.139 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -8.511 0.826 3.019 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.764 1.997 2.659 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -9.591 4.324 3.615 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -6.407 1.511 3.928 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -8.031 6.151 4.129 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -4.844 3.336 4.437 1.00 0.00 H new ATOM 0 HZ PHE A 55 -5.655 5.660 4.550 1.00 0.00 H new ATOM 823 N ASP A 56 -11.169 -0.792 5.013 1.00 0.00 N ATOM 824 CA ASP A 56 -12.201 -1.806 4.787 1.00 0.00 C ATOM 825 C ASP A 56 -12.120 -2.389 3.385 1.00 0.00 C ATOM 826 O ASP A 56 -12.949 -2.109 2.522 1.00 0.00 O ATOM 827 CB ASP A 56 -13.605 -1.262 5.043 1.00 0.00 C ATOM 828 CG ASP A 56 -14.589 -2.370 5.375 1.00 0.00 C ATOM 829 OD1 ASP A 56 -14.952 -3.163 4.476 1.00 0.00 O ATOM 830 OD2 ASP A 56 -14.990 -2.469 6.554 1.00 0.00 O ATOM 0 H ASP A 56 -10.590 -0.979 5.832 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.008 -2.603 5.506 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -13.573 -0.546 5.865 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -13.951 -0.721 4.162 1.00 0.00 H new ATOM 835 N VAL A 57 -11.087 -3.169 3.149 1.00 0.00 N ATOM 836 CA VAL A 57 -10.979 -3.935 1.925 1.00 0.00 C ATOM 837 C VAL A 57 -10.438 -5.312 2.272 1.00 0.00 C ATOM 838 O VAL A 57 -9.968 -5.523 3.386 1.00 0.00 O ATOM 839 CB VAL A 57 -10.058 -3.237 0.900 1.00 0.00 C ATOM 840 CG1 VAL A 57 -8.624 -3.281 1.374 1.00 0.00 C ATOM 841 CG2 VAL A 57 -10.180 -3.858 -0.483 1.00 0.00 C ATOM 0 H VAL A 57 -10.305 -3.290 3.793 1.00 0.00 H new ATOM 0 HA VAL A 57 -11.964 -4.019 1.465 1.00 0.00 H new ATOM 0 HB VAL A 57 -10.377 -2.198 0.821 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.984 -2.786 0.644 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.542 -2.770 2.333 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -8.310 -4.319 1.487 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.517 -3.339 -1.175 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.902 -4.911 -0.435 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -11.209 -3.770 -0.832 1.00 0.00 H new ATOM 851 N LYS A 58 -10.534 -6.248 1.349 1.00 0.00 N ATOM 852 CA LYS A 58 -10.006 -7.580 1.569 1.00 0.00 C ATOM 853 C LYS A 58 -9.211 -8.037 0.354 1.00 0.00 C ATOM 854 O LYS A 58 -9.771 -8.277 -0.717 1.00 0.00 O ATOM 855 CB LYS A 58 -11.156 -8.548 1.872 1.00 0.00 C ATOM 856 CG LYS A 58 -12.406 -8.266 1.052 1.00 0.00 C ATOM 857 CD LYS A 58 -13.563 -9.171 1.438 1.00 0.00 C ATOM 858 CE LYS A 58 -14.837 -8.773 0.706 1.00 0.00 C ATOM 859 NZ LYS A 58 -15.372 -7.466 1.180 1.00 0.00 N ATOM 0 H LYS A 58 -10.973 -6.111 0.439 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.332 -7.566 2.426 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.825 -9.568 1.679 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -11.403 -8.489 2.932 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -12.700 -7.225 1.188 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.181 -8.398 -0.006 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -13.313 -10.206 1.204 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -13.727 -9.118 2.514 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -14.637 -8.715 -0.364 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -15.592 -9.546 0.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -16.340 -7.337 0.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -15.381 -7.451 2.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -14.768 -6.696 0.828 1.00 0.00 H new ATOM 873 N ILE A 59 -7.902 -8.133 0.522 1.00 0.00 N ATOM 874 CA ILE A 59 -7.028 -8.592 -0.543 1.00 0.00 C ATOM 875 C ILE A 59 -6.244 -9.821 -0.097 1.00 0.00 C ATOM 876 O ILE A 59 -6.056 -10.049 1.096 1.00 0.00 O ATOM 877 CB ILE A 59 -6.029 -7.495 -0.997 1.00 0.00 C ATOM 878 CG1 ILE A 59 -5.036 -7.140 0.119 1.00 0.00 C ATOM 879 CG2 ILE A 59 -6.761 -6.247 -1.466 1.00 0.00 C ATOM 880 CD1 ILE A 59 -4.024 -6.091 -0.299 1.00 0.00 C ATOM 0 H ILE A 59 -7.421 -7.898 1.390 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.669 -8.842 -1.388 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.465 -7.902 -1.836 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.588 -6.779 0.987 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.509 -8.042 0.429 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.036 -5.495 -1.778 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.407 -6.499 -2.307 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -7.365 -5.851 -0.650 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.351 -5.883 0.533 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -3.449 -6.459 -1.149 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.544 -5.176 -0.582 1.00 0.00 H new ATOM 892 N PRO A 60 -5.818 -10.653 -1.053 1.00 0.00 N ATOM 893 CA PRO A 60 -4.946 -11.794 -0.777 1.00 0.00 C ATOM 894 C PRO A 60 -3.581 -11.356 -0.260 1.00 0.00 C ATOM 895 O PRO A 60 -3.026 -10.354 -0.719 1.00 0.00 O ATOM 896 CB PRO A 60 -4.789 -12.476 -2.141 1.00 0.00 C ATOM 897 CG PRO A 60 -5.909 -11.953 -2.971 1.00 0.00 C ATOM 898 CD PRO A 60 -6.164 -10.561 -2.476 1.00 0.00 C ATOM 0 HA PRO A 60 -5.364 -12.443 -0.007 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.824 -12.241 -2.590 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -4.842 -13.561 -2.047 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.645 -11.950 -4.028 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -6.798 -12.575 -2.866 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -5.547 -9.828 -2.996 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -7.203 -10.264 -2.621 1.00 0.00 H new ATOM 906 N ASP A 61 -3.047 -12.112 0.695 1.00 0.00 N ATOM 907 CA ASP A 61 -1.726 -11.840 1.258 1.00 0.00 C ATOM 908 C ASP A 61 -0.696 -11.796 0.139 1.00 0.00 C ATOM 909 O ASP A 61 0.062 -10.835 0.001 1.00 0.00 O ATOM 910 CB ASP A 61 -1.314 -12.936 2.252 1.00 0.00 C ATOM 911 CG ASP A 61 -2.462 -13.463 3.084 1.00 0.00 C ATOM 912 OD1 ASP A 61 -3.321 -14.176 2.515 1.00 0.00 O ATOM 913 OD2 ASP A 61 -2.487 -13.214 4.308 1.00 0.00 O ATOM 0 H ASP A 61 -3.513 -12.925 1.099 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.771 -10.883 1.778 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.865 -13.763 1.702 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.546 -12.541 2.917 1.00 0.00 H new ATOM 918 N ASP A 62 -0.708 -12.845 -0.678 1.00 0.00 N ATOM 919 CA ASP A 62 0.259 -13.007 -1.758 1.00 0.00 C ATOM 920 C ASP A 62 0.125 -11.923 -2.815 1.00 0.00 C ATOM 921 O ASP A 62 1.094 -11.608 -3.501 1.00 0.00 O ATOM 922 CB ASP A 62 0.098 -14.376 -2.418 1.00 0.00 C ATOM 923 CG ASP A 62 0.602 -15.500 -1.539 1.00 0.00 C ATOM 924 OD1 ASP A 62 -0.177 -16.005 -0.704 1.00 0.00 O ATOM 925 OD2 ASP A 62 1.790 -15.871 -1.677 1.00 0.00 O ATOM 0 H ASP A 62 -1.386 -13.604 -0.610 1.00 0.00 H new ATOM 0 HA ASP A 62 1.249 -12.924 -1.311 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.954 -14.543 -2.651 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.639 -14.387 -3.364 1.00 0.00 H new ATOM 930 N ASP A 63 -1.069 -11.354 -2.937 1.00 0.00 N ATOM 931 CA ASP A 63 -1.327 -10.339 -3.952 1.00 0.00 C ATOM 932 C ASP A 63 -0.516 -9.081 -3.682 1.00 0.00 C ATOM 933 O ASP A 63 -0.056 -8.433 -4.615 1.00 0.00 O ATOM 934 CB ASP A 63 -2.816 -10.004 -4.033 1.00 0.00 C ATOM 935 CG ASP A 63 -3.438 -10.496 -5.325 1.00 0.00 C ATOM 936 OD1 ASP A 63 -3.574 -11.725 -5.490 1.00 0.00 O ATOM 937 OD2 ASP A 63 -3.803 -9.660 -6.175 1.00 0.00 O ATOM 0 H ASP A 63 -1.871 -11.577 -2.348 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.018 -10.749 -4.913 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.335 -10.453 -3.186 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.950 -8.925 -3.954 1.00 0.00 H new ATOM 942 N VAL A 64 -0.319 -8.753 -2.404 1.00 0.00 N ATOM 943 CA VAL A 64 0.490 -7.592 -2.037 1.00 0.00 C ATOM 944 C VAL A 64 1.921 -7.770 -2.540 1.00 0.00 C ATOM 945 O VAL A 64 2.540 -6.831 -3.021 1.00 0.00 O ATOM 946 CB VAL A 64 0.513 -7.347 -0.507 1.00 0.00 C ATOM 947 CG1 VAL A 64 1.278 -6.075 -0.172 1.00 0.00 C ATOM 948 CG2 VAL A 64 -0.899 -7.278 0.059 1.00 0.00 C ATOM 0 H VAL A 64 -0.705 -9.270 -1.614 1.00 0.00 H new ATOM 0 HA VAL A 64 0.030 -6.723 -2.507 1.00 0.00 H new ATOM 0 HB VAL A 64 1.026 -8.191 -0.045 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.280 -5.925 0.908 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.304 -6.163 -0.528 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.798 -5.224 -0.656 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.852 -7.105 1.134 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.442 -6.461 -0.416 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.415 -8.218 -0.135 1.00 0.00 H new ATOM 958 N LYS A 65 2.429 -8.992 -2.444 1.00 0.00 N ATOM 959 CA LYS A 65 3.780 -9.299 -2.896 1.00 0.00 C ATOM 960 C LYS A 65 3.812 -9.478 -4.416 1.00 0.00 C ATOM 961 O LYS A 65 4.870 -9.417 -5.041 1.00 0.00 O ATOM 962 CB LYS A 65 4.280 -10.572 -2.208 1.00 0.00 C ATOM 963 CG LYS A 65 5.711 -10.480 -1.700 1.00 0.00 C ATOM 964 CD LYS A 65 6.712 -10.336 -2.836 1.00 0.00 C ATOM 965 CE LYS A 65 6.811 -11.607 -3.670 1.00 0.00 C ATOM 966 NZ LYS A 65 7.310 -12.759 -2.875 1.00 0.00 N ATOM 0 H LYS A 65 1.924 -9.789 -2.056 1.00 0.00 H new ATOM 0 HA LYS A 65 4.433 -8.467 -2.633 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.622 -10.802 -1.370 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.207 -11.404 -2.908 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.802 -9.628 -1.026 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.947 -11.372 -1.120 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.418 -9.504 -3.476 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.693 -10.093 -2.427 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.831 -11.848 -4.081 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.477 -11.435 -4.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.860 -13.393 -3.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.916 -12.412 -2.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.504 -13.279 -2.474 1.00 0.00 H new ATOM 980 N ASN A 66 2.645 -9.705 -5.003 1.00 0.00 N ATOM 981 CA ASN A 66 2.537 -9.910 -6.444 1.00 0.00 C ATOM 982 C ASN A 66 2.707 -8.582 -7.171 1.00 0.00 C ATOM 983 O ASN A 66 3.115 -8.539 -8.335 1.00 0.00 O ATOM 984 CB ASN A 66 1.182 -10.550 -6.788 1.00 0.00 C ATOM 985 CG ASN A 66 1.112 -11.066 -8.214 1.00 0.00 C ATOM 986 OD1 ASN A 66 0.703 -10.355 -9.130 1.00 0.00 O ATOM 987 ND2 ASN A 66 1.506 -12.316 -8.408 1.00 0.00 N ATOM 0 H ASN A 66 1.757 -9.752 -4.504 1.00 0.00 H new ATOM 0 HA ASN A 66 3.327 -10.587 -6.769 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.991 -11.374 -6.100 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.391 -9.816 -6.634 1.00 0.00 H new ATOM 0 HD21 ASN A 66 1.476 -12.721 -9.344 1.00 0.00 H new ATOM 0 HD22 ASN A 66 1.839 -12.874 -7.622 1.00 0.00 H new ATOM 994 N LEU A 67 2.420 -7.499 -6.467 1.00 0.00 N ATOM 995 CA LEU A 67 2.584 -6.168 -7.017 1.00 0.00 C ATOM 996 C LEU A 67 3.909 -5.570 -6.573 1.00 0.00 C ATOM 997 O LEU A 67 4.253 -5.583 -5.394 1.00 0.00 O ATOM 998 CB LEU A 67 1.401 -5.274 -6.623 1.00 0.00 C ATOM 999 CG LEU A 67 1.017 -5.294 -5.137 1.00 0.00 C ATOM 1000 CD1 LEU A 67 1.504 -4.043 -4.422 1.00 0.00 C ATOM 1001 CD2 LEU A 67 -0.490 -5.436 -4.980 1.00 0.00 C ATOM 0 H LEU A 67 2.071 -7.519 -5.509 1.00 0.00 H new ATOM 0 HA LEU A 67 2.599 -6.236 -8.105 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.636 -4.248 -6.905 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.532 -5.574 -7.208 1.00 0.00 H new ATOM 0 HG LEU A 67 1.504 -6.155 -4.679 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.216 -4.089 -3.372 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.590 -3.980 -4.498 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.056 -3.163 -4.883 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.746 -5.449 -3.921 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.987 -4.595 -5.463 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.818 -6.366 -5.444 1.00 0.00 H new ATOM 1013 N LYS A 68 4.659 -5.056 -7.534 1.00 0.00 N ATOM 1014 CA LYS A 68 5.995 -4.553 -7.267 1.00 0.00 C ATOM 1015 C LYS A 68 5.991 -3.047 -7.043 1.00 0.00 C ATOM 1016 O LYS A 68 7.030 -2.456 -6.778 1.00 0.00 O ATOM 1017 CB LYS A 68 6.944 -4.907 -8.417 1.00 0.00 C ATOM 1018 CG LYS A 68 7.565 -6.297 -8.320 1.00 0.00 C ATOM 1019 CD LYS A 68 6.541 -7.411 -8.499 1.00 0.00 C ATOM 1020 CE LYS A 68 5.967 -7.437 -9.908 1.00 0.00 C ATOM 1021 NZ LYS A 68 5.121 -8.637 -10.133 1.00 0.00 N ATOM 0 H LYS A 68 4.364 -4.976 -8.507 1.00 0.00 H new ATOM 0 HA LYS A 68 6.347 -5.031 -6.353 1.00 0.00 H new ATOM 0 HB2 LYS A 68 6.399 -4.831 -9.358 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.744 -4.167 -8.452 1.00 0.00 H new ATOM 0 HG2 LYS A 68 8.342 -6.397 -9.078 1.00 0.00 H new ATOM 0 HG3 LYS A 68 8.050 -6.407 -7.350 1.00 0.00 H new ATOM 0 HD2 LYS A 68 7.008 -8.371 -8.280 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.732 -7.279 -7.780 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.375 -6.537 -10.077 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.781 -7.424 -10.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.900 -8.721 -11.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.632 -9.486 -9.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.237 -8.545 -9.593 1.00 0.00 H new ATOM 1035 N THR A 69 4.825 -2.427 -7.151 1.00 0.00 N ATOM 1036 CA THR A 69 4.700 -0.992 -6.932 1.00 0.00 C ATOM 1037 C THR A 69 3.690 -0.721 -5.826 1.00 0.00 C ATOM 1038 O THR A 69 2.721 -1.464 -5.682 1.00 0.00 O ATOM 1039 CB THR A 69 4.254 -0.263 -8.217 1.00 0.00 C ATOM 1040 OG1 THR A 69 3.024 -0.819 -8.693 1.00 0.00 O ATOM 1041 CG2 THR A 69 5.314 -0.378 -9.298 1.00 0.00 C ATOM 0 H THR A 69 3.951 -2.895 -7.389 1.00 0.00 H new ATOM 0 HA THR A 69 5.680 -0.614 -6.642 1.00 0.00 H new ATOM 0 HB THR A 69 4.110 0.791 -7.979 1.00 0.00 H new ATOM 0 HG1 THR A 69 2.340 -0.118 -8.728 1.00 0.00 H new ATOM 0 HG21 THR A 69 4.978 0.143 -10.194 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.243 0.069 -8.945 1.00 0.00 H new ATOM 0 HG23 THR A 69 5.483 -1.429 -9.532 1.00 0.00 H new ATOM 1049 N VAL A 70 3.905 0.330 -5.038 1.00 0.00 N ATOM 1050 CA VAL A 70 2.949 0.674 -3.993 1.00 0.00 C ATOM 1051 C VAL A 70 1.633 1.105 -4.619 1.00 0.00 C ATOM 1052 O VAL A 70 0.559 0.798 -4.107 1.00 0.00 O ATOM 1053 CB VAL A 70 3.484 1.774 -3.041 1.00 0.00 C ATOM 1054 CG1 VAL A 70 4.113 2.910 -3.819 1.00 0.00 C ATOM 1055 CG2 VAL A 70 2.380 2.308 -2.137 1.00 0.00 C ATOM 0 H VAL A 70 4.716 0.946 -5.101 1.00 0.00 H new ATOM 0 HA VAL A 70 2.790 -0.218 -3.387 1.00 0.00 H new ATOM 0 HB VAL A 70 4.250 1.316 -2.415 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.479 3.667 -3.125 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.944 2.528 -4.412 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.369 3.354 -4.480 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.787 3.078 -1.481 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.584 2.735 -2.748 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.978 1.494 -1.534 1.00 0.00 H new ATOM 1065 N GLY A 71 1.734 1.769 -5.760 1.00 0.00 N ATOM 1066 CA GLY A 71 0.561 2.256 -6.441 1.00 0.00 C ATOM 1067 C GLY A 71 -0.366 1.147 -6.881 1.00 0.00 C ATOM 1068 O GLY A 71 -1.580 1.341 -6.937 1.00 0.00 O ATOM 0 H GLY A 71 2.616 1.979 -6.227 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.020 2.935 -5.782 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.867 2.834 -7.313 1.00 0.00 H new ATOM 1072 N ASP A 72 0.202 -0.018 -7.177 1.00 0.00 N ATOM 1073 CA ASP A 72 -0.586 -1.145 -7.655 1.00 0.00 C ATOM 1074 C ASP A 72 -1.491 -1.660 -6.545 1.00 0.00 C ATOM 1075 O ASP A 72 -2.692 -1.827 -6.747 1.00 0.00 O ATOM 1076 CB ASP A 72 0.321 -2.262 -8.163 1.00 0.00 C ATOM 1077 CG ASP A 72 -0.350 -3.112 -9.222 1.00 0.00 C ATOM 1078 OD1 ASP A 72 -0.334 -2.702 -10.405 1.00 0.00 O ATOM 1079 OD2 ASP A 72 -0.873 -4.193 -8.893 1.00 0.00 O ATOM 0 H ASP A 72 1.201 -0.204 -7.094 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.206 -0.806 -8.485 1.00 0.00 H new ATOM 0 HB2 ASP A 72 1.233 -1.828 -8.573 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.617 -2.895 -7.326 1.00 0.00 H new ATOM 1084 N ALA A 73 -0.913 -1.881 -5.360 1.00 0.00 N ATOM 1085 CA ALA A 73 -1.694 -2.282 -4.185 1.00 0.00 C ATOM 1086 C ALA A 73 -2.740 -1.249 -3.884 1.00 0.00 C ATOM 1087 O ALA A 73 -3.895 -1.563 -3.619 1.00 0.00 O ATOM 1088 CB ALA A 73 -0.819 -2.423 -2.955 1.00 0.00 C ATOM 0 H ALA A 73 0.088 -1.790 -5.189 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.151 -3.244 -4.418 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.432 -2.721 -2.105 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.056 -3.181 -3.136 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.338 -1.469 -2.739 1.00 0.00 H new ATOM 1094 N THR A 74 -2.309 -0.009 -3.917 1.00 0.00 N ATOM 1095 CA THR A 74 -3.169 1.094 -3.592 1.00 0.00 C ATOM 1096 C THR A 74 -4.373 1.133 -4.532 1.00 0.00 C ATOM 1097 O THR A 74 -5.512 1.143 -4.080 1.00 0.00 O ATOM 1098 CB THR A 74 -2.395 2.416 -3.654 1.00 0.00 C ATOM 1099 OG1 THR A 74 -1.165 2.302 -2.928 1.00 0.00 O ATOM 1100 CG2 THR A 74 -3.207 3.522 -3.042 1.00 0.00 C ATOM 0 H THR A 74 -1.357 0.258 -4.169 1.00 0.00 H new ATOM 0 HA THR A 74 -3.533 0.956 -2.574 1.00 0.00 H new ATOM 0 HB THR A 74 -2.190 2.641 -4.701 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.454 2.004 -3.533 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.646 4.455 -3.092 1.00 0.00 H new ATOM 0 HG22 THR A 74 -4.144 3.631 -3.589 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.421 3.283 -2.000 1.00 0.00 H new ATOM 1108 N LYS A 75 -4.118 1.096 -5.834 1.00 0.00 N ATOM 1109 CA LYS A 75 -5.188 1.122 -6.826 1.00 0.00 C ATOM 1110 C LYS A 75 -6.027 -0.155 -6.732 1.00 0.00 C ATOM 1111 O LYS A 75 -7.224 -0.148 -7.008 1.00 0.00 O ATOM 1112 CB LYS A 75 -4.590 1.280 -8.229 1.00 0.00 C ATOM 1113 CG LYS A 75 -5.583 1.728 -9.293 1.00 0.00 C ATOM 1114 CD LYS A 75 -6.269 3.032 -8.910 1.00 0.00 C ATOM 1115 CE LYS A 75 -6.834 3.749 -10.125 1.00 0.00 C ATOM 1116 NZ LYS A 75 -7.810 2.911 -10.878 1.00 0.00 N ATOM 0 H LYS A 75 -3.179 1.048 -6.229 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.841 1.972 -6.629 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.775 2.003 -8.183 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -4.155 0.328 -8.534 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.065 1.855 -10.244 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -6.334 0.951 -9.440 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.073 2.826 -8.203 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.557 3.682 -8.403 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.321 4.670 -9.806 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.017 4.034 -10.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.254 3.482 -11.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -7.315 2.103 -11.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.542 2.562 -10.227 1.00 0.00 H new ATOM 1130 N TYR A 76 -5.378 -1.240 -6.328 1.00 0.00 N ATOM 1131 CA TYR A 76 -6.040 -2.519 -6.082 1.00 0.00 C ATOM 1132 C TYR A 76 -7.038 -2.377 -4.926 1.00 0.00 C ATOM 1133 O TYR A 76 -8.186 -2.824 -5.016 1.00 0.00 O ATOM 1134 CB TYR A 76 -4.967 -3.558 -5.745 1.00 0.00 C ATOM 1135 CG TYR A 76 -5.402 -5.002 -5.825 1.00 0.00 C ATOM 1136 CD1 TYR A 76 -5.458 -5.664 -7.046 1.00 0.00 C ATOM 1137 CD2 TYR A 76 -5.706 -5.719 -4.676 1.00 0.00 C ATOM 1138 CE1 TYR A 76 -5.824 -6.994 -7.119 1.00 0.00 C ATOM 1139 CE2 TYR A 76 -6.063 -7.052 -4.739 1.00 0.00 C ATOM 1140 CZ TYR A 76 -6.119 -7.684 -5.960 1.00 0.00 C ATOM 1141 OH TYR A 76 -6.453 -9.016 -6.020 1.00 0.00 O ATOM 0 H TYR A 76 -4.372 -1.259 -6.160 1.00 0.00 H new ATOM 0 HA TYR A 76 -6.592 -2.837 -6.966 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -4.124 -3.414 -6.421 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -4.604 -3.363 -4.736 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -5.211 -5.130 -7.952 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -5.663 -5.226 -3.716 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -5.879 -7.491 -8.076 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -6.297 -7.595 -3.835 1.00 0.00 H new ATOM 0 HH TYR A 76 -5.644 -9.550 -6.168 1.00 0.00 H new ATOM 1151 N ILE A 77 -6.584 -1.743 -3.847 1.00 0.00 N ATOM 1152 CA ILE A 77 -7.431 -1.430 -2.701 1.00 0.00 C ATOM 1153 C ILE A 77 -8.536 -0.465 -3.111 1.00 0.00 C ATOM 1154 O ILE A 77 -9.691 -0.609 -2.717 1.00 0.00 O ATOM 1155 CB ILE A 77 -6.604 -0.799 -1.553 1.00 0.00 C ATOM 1156 CG1 ILE A 77 -5.592 -1.812 -1.005 1.00 0.00 C ATOM 1157 CG2 ILE A 77 -7.515 -0.298 -0.440 1.00 0.00 C ATOM 1158 CD1 ILE A 77 -4.651 -1.241 0.037 1.00 0.00 C ATOM 0 H ILE A 77 -5.618 -1.432 -3.744 1.00 0.00 H new ATOM 0 HA ILE A 77 -7.870 -2.363 -2.347 1.00 0.00 H new ATOM 0 HB ILE A 77 -6.059 0.055 -1.954 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -6.133 -2.652 -0.569 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -5.004 -2.207 -1.833 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.911 0.141 0.355 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -8.195 0.456 -0.838 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -8.092 -1.131 -0.039 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -3.967 -2.019 0.375 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -4.081 -0.420 -0.398 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -5.228 -0.872 0.885 1.00 0.00 H new ATOM 1170 N LEU A 78 -8.161 0.500 -3.929 1.00 0.00 N ATOM 1171 CA LEU A 78 -9.071 1.539 -4.383 1.00 0.00 C ATOM 1172 C LEU A 78 -10.168 0.980 -5.276 1.00 0.00 C ATOM 1173 O LEU A 78 -11.258 1.541 -5.362 1.00 0.00 O ATOM 1174 CB LEU A 78 -8.284 2.603 -5.142 1.00 0.00 C ATOM 1175 CG LEU A 78 -7.257 3.361 -4.301 1.00 0.00 C ATOM 1176 CD1 LEU A 78 -6.506 4.374 -5.154 1.00 0.00 C ATOM 1177 CD2 LEU A 78 -7.961 4.048 -3.147 1.00 0.00 C ATOM 0 H LEU A 78 -7.215 0.587 -4.299 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.549 1.976 -3.506 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.770 2.128 -5.977 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -8.986 3.321 -5.567 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.528 2.655 -3.905 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.780 4.903 -4.536 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.987 3.857 -5.961 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.212 5.089 -5.576 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.231 4.589 -2.546 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.700 4.748 -3.537 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.459 3.301 -2.528 1.00 0.00 H new ATOM 1189 N ASP A 79 -9.871 -0.125 -5.938 1.00 0.00 N ATOM 1190 CA ASP A 79 -10.790 -0.704 -6.905 1.00 0.00 C ATOM 1191 C ASP A 79 -11.800 -1.629 -6.230 1.00 0.00 C ATOM 1192 O ASP A 79 -12.957 -1.701 -6.641 1.00 0.00 O ATOM 1193 CB ASP A 79 -10.008 -1.482 -7.967 1.00 0.00 C ATOM 1194 CG ASP A 79 -10.875 -1.925 -9.130 1.00 0.00 C ATOM 1195 OD1 ASP A 79 -11.206 -1.074 -9.983 1.00 0.00 O ATOM 1196 OD2 ASP A 79 -11.214 -3.127 -9.204 1.00 0.00 O ATOM 0 H ASP A 79 -8.999 -0.641 -5.824 1.00 0.00 H new ATOM 0 HA ASP A 79 -11.338 0.112 -7.376 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.196 -0.859 -8.342 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -9.551 -2.358 -7.506 1.00 0.00 H new ATOM 1201 N HIS A 80 -11.373 -2.320 -5.176 1.00 0.00 N ATOM 1202 CA HIS A 80 -12.214 -3.345 -4.553 1.00 0.00 C ATOM 1203 C HIS A 80 -12.524 -3.044 -3.092 1.00 0.00 C ATOM 1204 O HIS A 80 -12.888 -3.948 -2.341 1.00 0.00 O ATOM 1205 CB HIS A 80 -11.540 -4.716 -4.648 1.00 0.00 C ATOM 1206 CG HIS A 80 -11.574 -5.307 -6.019 1.00 0.00 C ATOM 1207 ND1 HIS A 80 -12.686 -5.922 -6.546 1.00 0.00 N ATOM 1208 CD2 HIS A 80 -10.621 -5.373 -6.974 1.00 0.00 C ATOM 1209 CE1 HIS A 80 -12.414 -6.339 -7.766 1.00 0.00 C ATOM 1210 NE2 HIS A 80 -11.166 -6.020 -8.053 1.00 0.00 N ATOM 0 H HIS A 80 -10.461 -2.193 -4.738 1.00 0.00 H new ATOM 0 HA HIS A 80 -13.156 -3.347 -5.101 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -10.502 -4.624 -4.327 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -12.029 -5.400 -3.955 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -9.615 -4.987 -6.901 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -13.099 -6.856 -8.422 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -10.687 -6.221 -8.931 1.00 0.00 H new ATOM 1219 N GLN A 81 -12.397 -1.788 -2.691 1.00 0.00 N ATOM 1220 CA GLN A 81 -12.661 -1.414 -1.304 1.00 0.00 C ATOM 1221 C GLN A 81 -14.147 -1.556 -0.979 1.00 0.00 C ATOM 1222 O GLN A 81 -14.998 -1.365 -1.851 1.00 0.00 O ATOM 1223 CB GLN A 81 -12.178 0.013 -1.018 1.00 0.00 C ATOM 1224 CG GLN A 81 -12.887 1.088 -1.824 1.00 0.00 C ATOM 1225 CD GLN A 81 -12.245 2.454 -1.668 1.00 0.00 C ATOM 1226 OE1 GLN A 81 -12.922 3.477 -1.705 1.00 0.00 O ATOM 1227 NE2 GLN A 81 -10.931 2.485 -1.507 1.00 0.00 N ATOM 0 H GLN A 81 -12.116 -1.016 -3.296 1.00 0.00 H new ATOM 0 HA GLN A 81 -12.103 -2.094 -0.660 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -12.312 0.223 0.043 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -11.109 0.069 -1.221 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -12.885 0.808 -2.877 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -13.930 1.143 -1.511 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -10.400 1.615 -1.481 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -10.450 3.379 -1.409 1.00 0.00 H new ATOM 1236 N ALA A 82 -14.435 -1.895 0.278 1.00 0.00 N ATOM 1237 CA ALA A 82 -15.796 -2.137 0.752 1.00 0.00 C ATOM 1238 C ALA A 82 -16.419 -3.335 0.041 1.00 0.00 C ATOM 1239 O ALA A 82 -16.003 -4.476 0.337 1.00 0.00 O ATOM 1240 CB ALA A 82 -16.666 -0.895 0.597 1.00 0.00 C ATOM 1241 OXT ALA A 82 -17.344 -3.144 -0.783 1.00 0.00 O ATOM 0 H ALA A 82 -13.724 -2.010 1.000 1.00 0.00 H new ATOM 0 HA ALA A 82 -15.739 -2.370 1.815 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -17.672 -1.108 0.959 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -16.238 -0.076 1.176 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -16.711 -0.611 -0.454 1.00 0.00 H new TER 1247 ALA A 82