USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 829 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 NoAdj-H: A 27 HIS HD1 : A 27 HIS ND1 : A 115 ZNZN :(H bumps) USER MOD Set 1.1: A 2 SER OG : rot -72:sc= 0.173 USER MOD Set 1.2: A 12 ASN : amide:sc= 0.94 K(o=1.1,f=-4.2!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.15 K(o=-0.15,f=-0.83) USER MOD Single : A 11 GLN : amide:sc= 0.948 K(o=0.95,f=-0.68) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -162:sc= 0.609 (180deg=0.302) USER MOD Single : A 24 GLN : amide:sc= -0.121 X(o=-0.12,f=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 50:sc= 1.06 USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 153:sc= 1.81 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -173:sc= 2.06 (180deg=1.89) USER MOD Single : A 54 LYS NZ :NH3+ 161:sc= -0.173 (180deg=-0.801) USER MOD Single : A 60 TYR OH : rot 49:sc= -3.06! USER MOD Single : A 66 SER OG : rot -85:sc= 0.741 USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 80:sc= 1.29 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -1.31! C(o=-1.3!,f=-2.7!) USER MOD Single : A 103 THR OG1 : rot -12:sc= 0.828 USER MOD Single : A 104 GLN : amide:sc= -0.969 K(o=-0.97,f=-1.7) USER MOD Single : A 109 ASN : amide:sc=-0.00969 K(o=-0.0097,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.563 -12.881 -8.642 1.00 0.00 N ATOM 2 CA GLY A 1 -13.567 -11.575 -7.944 1.00 0.00 C ATOM 3 C GLY A 1 -14.936 -10.934 -7.963 1.00 0.00 C ATOM 4 O GLY A 1 -15.360 -10.393 -8.986 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.607 -13.290 -8.608 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.232 -13.526 -8.175 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.847 -12.746 -9.633 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.244 -11.713 -6.912 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.846 -10.908 -8.417 1.00 0.00 H new ATOM 10 N SER A 2 -15.659 -11.053 -6.857 1.00 0.00 N ATOM 11 CA SER A 2 -17.011 -10.522 -6.761 1.00 0.00 C ATOM 12 C SER A 2 -17.007 -8.999 -6.823 1.00 0.00 C ATOM 13 O SER A 2 -17.899 -8.385 -7.411 1.00 0.00 O ATOM 14 CB SER A 2 -17.658 -10.991 -5.461 1.00 0.00 C ATOM 15 OG SER A 2 -16.740 -11.752 -4.690 1.00 0.00 O ATOM 0 H SER A 2 -15.329 -11.515 -6.010 1.00 0.00 H new ATOM 0 HA SER A 2 -17.588 -10.894 -7.608 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.997 -10.129 -4.886 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.540 -11.592 -5.684 1.00 0.00 H new ATOM 0 HG SER A 2 -16.603 -12.625 -5.113 1.00 0.00 H new ATOM 21 N LEU A 3 -15.981 -8.399 -6.247 1.00 0.00 N ATOM 22 CA LEU A 3 -15.836 -6.951 -6.256 1.00 0.00 C ATOM 23 C LEU A 3 -14.521 -6.563 -6.927 1.00 0.00 C ATOM 24 O LEU A 3 -14.366 -6.723 -8.136 1.00 0.00 O ATOM 25 CB LEU A 3 -15.899 -6.406 -4.824 1.00 0.00 C ATOM 26 CG LEU A 3 -17.194 -6.712 -4.070 1.00 0.00 C ATOM 27 CD1 LEU A 3 -16.926 -7.664 -2.915 1.00 0.00 C ATOM 28 CD2 LEU A 3 -17.833 -5.430 -3.563 1.00 0.00 C ATOM 0 H LEU A 3 -15.231 -8.894 -5.764 1.00 0.00 H new ATOM 0 HA LEU A 3 -16.656 -6.513 -6.825 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -15.062 -6.816 -4.259 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -15.763 -5.325 -4.857 1.00 0.00 H new ATOM 0 HG LEU A 3 -17.887 -7.193 -4.761 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -17.859 -7.871 -2.390 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -16.512 -8.596 -3.300 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -16.215 -7.209 -2.226 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -18.753 -5.668 -3.029 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -17.144 -4.922 -2.889 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -18.061 -4.779 -4.407 1.00 0.00 H new ATOM 40 N LEU A 4 -13.545 -6.161 -6.126 1.00 0.00 N ATOM 41 CA LEU A 4 -12.211 -5.853 -6.632 1.00 0.00 C ATOM 42 C LEU A 4 -11.297 -7.053 -6.437 1.00 0.00 C ATOM 43 O LEU A 4 -11.622 -7.966 -5.690 1.00 0.00 O ATOM 44 CB LEU A 4 -11.630 -4.642 -5.900 1.00 0.00 C ATOM 45 CG LEU A 4 -12.600 -3.481 -5.686 1.00 0.00 C ATOM 46 CD1 LEU A 4 -12.756 -3.185 -4.202 1.00 0.00 C ATOM 47 CD2 LEU A 4 -12.115 -2.250 -6.436 1.00 0.00 C ATOM 0 H LEU A 4 -13.650 -6.039 -5.119 1.00 0.00 H new ATOM 0 HA LEU A 4 -12.285 -5.621 -7.694 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -11.260 -4.969 -4.928 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -10.770 -4.277 -6.462 1.00 0.00 H new ATOM 0 HG LEU A 4 -13.577 -3.761 -6.079 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -13.450 -2.355 -4.067 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -13.143 -4.068 -3.694 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -11.787 -2.919 -3.780 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -12.813 -1.428 -6.277 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -11.129 -1.965 -6.068 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -12.054 -2.473 -7.501 1.00 0.00 H new ATOM 59 N THR A 5 -10.135 -7.033 -7.060 1.00 0.00 N ATOM 60 CA THR A 5 -9.166 -8.099 -6.877 1.00 0.00 C ATOM 61 C THR A 5 -7.785 -7.512 -6.645 1.00 0.00 C ATOM 62 O THR A 5 -7.385 -6.560 -7.314 1.00 0.00 O ATOM 63 CB THR A 5 -9.126 -9.049 -8.082 1.00 0.00 C ATOM 64 OG1 THR A 5 -9.736 -8.427 -9.221 1.00 0.00 O ATOM 65 CG2 THR A 5 -9.848 -10.344 -7.756 1.00 0.00 C ATOM 0 H THR A 5 -9.838 -6.293 -7.696 1.00 0.00 H new ATOM 0 HA THR A 5 -9.474 -8.676 -6.005 1.00 0.00 H new ATOM 0 HB THR A 5 -8.085 -9.273 -8.313 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.704 -9.040 -9.985 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.812 -11.008 -8.620 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.364 -10.826 -6.907 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.887 -10.129 -7.507 1.00 0.00 H new ATOM 73 N CYS A 6 -7.124 -8.001 -5.611 1.00 0.00 N ATOM 74 CA CYS A 6 -5.852 -7.462 -5.193 1.00 0.00 C ATOM 75 C CYS A 6 -4.705 -8.213 -5.861 1.00 0.00 C ATOM 76 O CYS A 6 -4.855 -9.368 -6.243 1.00 0.00 O ATOM 77 CB CYS A 6 -5.770 -7.538 -3.667 1.00 0.00 C ATOM 78 SG CYS A 6 -4.379 -8.500 -3.009 1.00 0.00 S ATOM 0 H CYS A 6 -7.456 -8.780 -5.042 1.00 0.00 H new ATOM 0 HA CYS A 6 -5.766 -6.420 -5.500 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -5.707 -6.524 -3.273 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -6.698 -7.969 -3.291 1.00 0.00 H new ATOM 83 N GLY A 7 -3.584 -7.537 -6.048 1.00 0.00 N ATOM 84 CA GLY A 7 -2.448 -8.151 -6.706 1.00 0.00 C ATOM 85 C GLY A 7 -1.559 -8.909 -5.741 1.00 0.00 C ATOM 86 O GLY A 7 -0.551 -9.495 -6.140 1.00 0.00 O ATOM 0 H GLY A 7 -3.438 -6.571 -5.755 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.804 -8.832 -7.479 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.862 -7.380 -7.206 1.00 0.00 H new ATOM 90 N GLY A 8 -1.925 -8.892 -4.469 1.00 0.00 N ATOM 91 CA GLY A 8 -1.149 -9.580 -3.458 1.00 0.00 C ATOM 92 C GLY A 8 -1.587 -11.018 -3.283 1.00 0.00 C ATOM 93 O GLY A 8 -0.757 -11.907 -3.094 1.00 0.00 O ATOM 0 H GLY A 8 -2.752 -8.410 -4.116 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -0.094 -9.554 -3.731 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.245 -9.054 -2.508 1.00 0.00 H new ATOM 97 N CYS A 9 -2.890 -11.253 -3.363 1.00 0.00 N ATOM 98 CA CYS A 9 -3.425 -12.601 -3.231 1.00 0.00 C ATOM 99 C CYS A 9 -4.312 -12.957 -4.419 1.00 0.00 C ATOM 100 O CYS A 9 -4.472 -14.132 -4.757 1.00 0.00 O ATOM 101 CB CYS A 9 -4.212 -12.732 -1.927 1.00 0.00 C ATOM 102 SG CYS A 9 -5.734 -11.730 -1.864 1.00 0.00 S ATOM 0 H CYS A 9 -3.593 -10.531 -3.518 1.00 0.00 H new ATOM 0 HA CYS A 9 -2.587 -13.298 -3.212 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -4.474 -13.779 -1.779 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -3.567 -12.444 -1.097 1.00 0.00 H new ATOM 107 N GLN A 10 -4.909 -11.929 -5.020 1.00 0.00 N ATOM 108 CA GLN A 10 -5.799 -12.086 -6.167 1.00 0.00 C ATOM 109 C GLN A 10 -7.031 -12.913 -5.814 1.00 0.00 C ATOM 110 O GLN A 10 -7.607 -13.574 -6.676 1.00 0.00 O ATOM 111 CB GLN A 10 -5.053 -12.720 -7.346 1.00 0.00 C ATOM 112 CG GLN A 10 -4.613 -11.718 -8.401 1.00 0.00 C ATOM 113 CD GLN A 10 -5.782 -11.030 -9.080 1.00 0.00 C ATOM 114 OE1 GLN A 10 -6.875 -11.591 -9.186 1.00 0.00 O ATOM 115 NE2 GLN A 10 -5.563 -9.816 -9.552 1.00 0.00 N ATOM 0 H GLN A 10 -4.788 -10.961 -4.723 1.00 0.00 H new ATOM 0 HA GLN A 10 -6.137 -11.091 -6.457 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.176 -13.246 -6.969 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -5.696 -13.466 -7.812 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.974 -10.966 -7.938 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.011 -12.229 -9.153 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -4.645 -9.385 -9.445 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -6.312 -9.309 -10.024 1.00 0.00 H new ATOM 124 N GLN A 11 -7.401 -12.924 -4.538 1.00 0.00 N ATOM 125 CA GLN A 11 -8.534 -13.725 -4.090 1.00 0.00 C ATOM 126 C GLN A 11 -9.858 -12.993 -4.309 1.00 0.00 C ATOM 127 O GLN A 11 -10.849 -13.636 -4.644 1.00 0.00 O ATOM 128 CB GLN A 11 -8.371 -14.124 -2.614 1.00 0.00 C ATOM 129 CG GLN A 11 -8.791 -13.049 -1.618 1.00 0.00 C ATOM 130 CD GLN A 11 -9.864 -13.521 -0.657 1.00 0.00 C ATOM 131 OE1 GLN A 11 -9.899 -14.688 -0.272 1.00 0.00 O ATOM 132 NE2 GLN A 11 -10.758 -12.623 -0.277 1.00 0.00 N ATOM 0 H GLN A 11 -6.937 -12.392 -3.801 1.00 0.00 H new ATOM 0 HA GLN A 11 -8.554 -14.633 -4.692 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -8.958 -15.024 -2.427 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -7.327 -14.381 -2.433 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -7.918 -12.726 -1.050 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -9.156 -12.179 -2.163 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -10.695 -11.664 -0.619 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -11.511 -12.890 0.358 1.00 0.00 H new ATOM 141 N ASN A 12 -9.828 -11.655 -4.110 1.00 0.00 N ATOM 142 CA ASN A 12 -10.993 -10.741 -4.210 1.00 0.00 C ATOM 143 C ASN A 12 -11.046 -9.852 -2.975 1.00 0.00 C ATOM 144 O ASN A 12 -10.989 -10.342 -1.848 1.00 0.00 O ATOM 145 CB ASN A 12 -12.345 -11.463 -4.344 1.00 0.00 C ATOM 146 CG ASN A 12 -13.535 -10.541 -4.134 1.00 0.00 C ATOM 147 OD1 ASN A 12 -13.800 -9.653 -4.942 1.00 0.00 O ATOM 148 ND2 ASN A 12 -14.269 -10.759 -3.056 1.00 0.00 N ATOM 0 H ASN A 12 -8.967 -11.165 -3.868 1.00 0.00 H new ATOM 0 HA ASN A 12 -10.845 -10.163 -5.122 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -12.413 -11.915 -5.334 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -12.390 -12.276 -3.619 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -15.088 -10.180 -2.871 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -14.016 -11.506 -2.409 1.00 0.00 H new ATOM 155 N ILE A 13 -11.160 -8.552 -3.187 1.00 0.00 N ATOM 156 CA ILE A 13 -11.273 -7.611 -2.090 1.00 0.00 C ATOM 157 C ILE A 13 -12.732 -7.356 -1.747 1.00 0.00 C ATOM 158 O ILE A 13 -13.444 -6.661 -2.475 1.00 0.00 O ATOM 159 CB ILE A 13 -10.593 -6.275 -2.413 1.00 0.00 C ATOM 160 CG1 ILE A 13 -9.221 -6.524 -3.029 1.00 0.00 C ATOM 161 CG2 ILE A 13 -10.475 -5.424 -1.160 1.00 0.00 C ATOM 162 CD1 ILE A 13 -8.772 -5.428 -3.960 1.00 0.00 C ATOM 0 H ILE A 13 -11.177 -8.125 -4.113 1.00 0.00 H new ATOM 0 HA ILE A 13 -10.768 -8.060 -1.235 1.00 0.00 H new ATOM 0 HB ILE A 13 -11.204 -5.733 -3.135 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -8.488 -6.634 -2.230 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -9.242 -7.467 -3.575 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -9.990 -4.479 -1.406 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.469 -5.228 -0.758 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -9.881 -5.953 -0.415 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.788 -5.672 -4.361 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -9.484 -5.332 -4.779 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.718 -4.486 -3.414 1.00 0.00 H new ATOM 174 N GLY A 14 -13.165 -7.921 -0.636 1.00 0.00 N ATOM 175 CA GLY A 14 -14.522 -7.732 -0.177 1.00 0.00 C ATOM 176 C GLY A 14 -14.563 -7.067 1.180 1.00 0.00 C ATOM 177 O GLY A 14 -15.603 -7.048 1.840 1.00 0.00 O ATOM 0 H GLY A 14 -12.593 -8.515 -0.036 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -15.069 -7.124 -0.897 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -15.027 -8.697 -0.126 1.00 0.00 H new ATOM 181 N ASP A 15 -13.416 -6.539 1.595 1.00 0.00 N ATOM 182 CA ASP A 15 -13.282 -5.877 2.890 1.00 0.00 C ATOM 183 C ASP A 15 -14.044 -4.556 2.901 1.00 0.00 C ATOM 184 O ASP A 15 -14.713 -4.195 1.932 1.00 0.00 O ATOM 185 CB ASP A 15 -11.809 -5.594 3.213 1.00 0.00 C ATOM 186 CG ASP A 15 -11.094 -6.752 3.886 1.00 0.00 C ATOM 187 OD1 ASP A 15 -10.613 -7.663 3.180 1.00 0.00 O ATOM 188 OD2 ASP A 15 -10.970 -6.734 5.129 1.00 0.00 O ATOM 0 H ASP A 15 -12.556 -6.557 1.047 1.00 0.00 H new ATOM 0 HA ASP A 15 -13.696 -6.549 3.642 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -11.286 -5.344 2.290 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -11.751 -4.718 3.860 1.00 0.00 H new ATOM 193 N ARG A 16 -13.880 -3.807 3.979 1.00 0.00 N ATOM 194 CA ARG A 16 -14.501 -2.494 4.094 1.00 0.00 C ATOM 195 C ARG A 16 -13.569 -1.416 3.555 1.00 0.00 C ATOM 196 O ARG A 16 -14.014 -0.400 3.016 1.00 0.00 O ATOM 197 CB ARG A 16 -14.864 -2.184 5.551 1.00 0.00 C ATOM 198 CG ARG A 16 -14.115 -3.025 6.573 1.00 0.00 C ATOM 199 CD ARG A 16 -13.045 -2.217 7.289 1.00 0.00 C ATOM 200 NE ARG A 16 -11.806 -2.974 7.454 1.00 0.00 N ATOM 201 CZ ARG A 16 -10.599 -2.416 7.576 1.00 0.00 C ATOM 202 NH1 ARG A 16 -10.462 -1.094 7.524 1.00 0.00 N ATOM 203 NH2 ARG A 16 -9.529 -3.177 7.749 1.00 0.00 N ATOM 0 H ARG A 16 -13.323 -4.084 4.787 1.00 0.00 H new ATOM 0 HA ARG A 16 -15.417 -2.504 3.503 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -14.664 -1.131 5.747 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -15.935 -2.336 5.687 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -14.819 -3.424 7.303 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -13.655 -3.878 6.075 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -12.841 -1.306 6.726 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -13.416 -1.911 8.267 1.00 0.00 H new ATOM 0 HE ARG A 16 -11.867 -3.992 7.477 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -11.281 -0.501 7.390 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -9.538 -0.673 7.618 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -9.626 -4.192 7.789 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -8.608 -2.749 7.842 1.00 0.00 H new ATOM 217 N TYR A 17 -12.274 -1.680 3.639 1.00 0.00 N ATOM 218 CA TYR A 17 -11.270 -0.757 3.137 1.00 0.00 C ATOM 219 C TYR A 17 -10.264 -1.525 2.297 1.00 0.00 C ATOM 220 O TYR A 17 -10.043 -2.715 2.533 1.00 0.00 O ATOM 221 CB TYR A 17 -10.555 -0.063 4.303 1.00 0.00 C ATOM 222 CG TYR A 17 -10.345 1.417 4.095 1.00 0.00 C ATOM 223 CD1 TYR A 17 -11.427 2.290 4.065 1.00 0.00 C ATOM 224 CD2 TYR A 17 -9.072 1.945 3.937 1.00 0.00 C ATOM 225 CE1 TYR A 17 -11.243 3.645 3.882 1.00 0.00 C ATOM 226 CE2 TYR A 17 -8.882 3.300 3.753 1.00 0.00 C ATOM 227 CZ TYR A 17 -9.969 4.143 3.726 1.00 0.00 C ATOM 228 OH TYR A 17 -9.785 5.492 3.546 1.00 0.00 O ATOM 0 H TYR A 17 -11.893 -2.531 4.053 1.00 0.00 H new ATOM 0 HA TYR A 17 -11.754 0.004 2.526 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -11.135 -0.214 5.214 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -9.587 -0.539 4.459 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -12.427 1.901 4.187 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -8.217 1.286 3.958 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -12.093 4.311 3.861 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -7.885 3.696 3.631 1.00 0.00 H new ATOM 0 HH TYR A 17 -8.828 5.682 3.453 1.00 0.00 H new ATOM 238 N PHE A 18 -9.650 -0.861 1.333 1.00 0.00 N ATOM 239 CA PHE A 18 -8.656 -1.508 0.491 1.00 0.00 C ATOM 240 C PHE A 18 -7.660 -0.501 -0.060 1.00 0.00 C ATOM 241 O PHE A 18 -7.765 0.700 0.185 1.00 0.00 O ATOM 242 CB PHE A 18 -9.321 -2.288 -0.649 1.00 0.00 C ATOM 243 CG PHE A 18 -9.872 -1.443 -1.764 1.00 0.00 C ATOM 244 CD1 PHE A 18 -10.910 -0.551 -1.542 1.00 0.00 C ATOM 245 CD2 PHE A 18 -9.360 -1.560 -3.046 1.00 0.00 C ATOM 246 CE1 PHE A 18 -11.423 0.204 -2.575 1.00 0.00 C ATOM 247 CE2 PHE A 18 -9.869 -0.805 -4.081 1.00 0.00 C ATOM 248 CZ PHE A 18 -10.903 0.079 -3.845 1.00 0.00 C ATOM 0 H PHE A 18 -9.820 0.121 1.114 1.00 0.00 H new ATOM 0 HA PHE A 18 -8.110 -2.216 1.115 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -8.592 -2.983 -1.067 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -10.131 -2.887 -0.234 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -11.321 -0.447 -0.549 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -8.552 -2.251 -3.237 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -12.233 0.894 -2.389 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -9.459 -0.905 -5.075 1.00 0.00 H new ATOM 0 HZ PHE A 18 -11.304 0.671 -4.654 1.00 0.00 H new ATOM 258 N LEU A 19 -6.675 -1.012 -0.776 1.00 0.00 N ATOM 259 CA LEU A 19 -5.613 -0.196 -1.323 1.00 0.00 C ATOM 260 C LEU A 19 -5.514 -0.401 -2.828 1.00 0.00 C ATOM 261 O LEU A 19 -5.984 -1.401 -3.347 1.00 0.00 O ATOM 262 CB LEU A 19 -4.283 -0.600 -0.680 1.00 0.00 C ATOM 263 CG LEU A 19 -4.003 -0.020 0.706 1.00 0.00 C ATOM 264 CD1 LEU A 19 -3.029 -0.910 1.464 1.00 0.00 C ATOM 265 CD2 LEU A 19 -3.454 1.389 0.584 1.00 0.00 C ATOM 0 H LEU A 19 -6.591 -2.005 -0.993 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.830 0.852 -1.115 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.252 -1.687 -0.610 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.474 -0.301 -1.347 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.938 0.021 1.265 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.839 -0.485 2.449 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.457 -1.906 1.575 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.092 -0.978 0.911 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.259 1.791 1.578 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.526 1.370 0.012 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.182 2.020 0.074 1.00 0.00 H new ATOM 277 N LYS A 20 -4.841 0.514 -3.508 1.00 0.00 N ATOM 278 CA LYS A 20 -4.493 0.355 -4.912 1.00 0.00 C ATOM 279 C LYS A 20 -3.297 1.248 -5.184 1.00 0.00 C ATOM 280 O LYS A 20 -3.080 2.195 -4.424 1.00 0.00 O ATOM 281 CB LYS A 20 -5.617 0.777 -5.863 1.00 0.00 C ATOM 282 CG LYS A 20 -6.995 0.896 -5.244 1.00 0.00 C ATOM 283 CD LYS A 20 -7.476 2.338 -5.258 1.00 0.00 C ATOM 284 CE LYS A 20 -8.948 2.439 -5.618 1.00 0.00 C ATOM 285 NZ LYS A 20 -9.202 2.175 -7.061 1.00 0.00 N ATOM 0 H LYS A 20 -4.519 1.392 -3.100 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.293 -0.701 -5.091 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.353 1.739 -6.303 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.667 0.056 -6.679 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.699 0.269 -5.791 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.970 0.527 -4.219 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.310 2.786 -4.278 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.887 2.911 -5.974 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.515 1.728 -5.017 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.313 3.434 -5.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.139 2.544 -7.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.473 2.646 -7.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.172 1.150 -7.237 1.00 0.00 H new ATOM 299 N ALA A 21 -2.610 1.050 -6.312 1.00 0.00 N ATOM 300 CA ALA A 21 -1.522 1.956 -6.696 1.00 0.00 C ATOM 301 C ALA A 21 -0.818 1.505 -7.966 1.00 0.00 C ATOM 302 O ALA A 21 -0.951 2.128 -9.017 1.00 0.00 O ATOM 303 CB ALA A 21 -0.492 2.077 -5.578 1.00 0.00 C ATOM 0 H ALA A 21 -2.782 0.286 -6.965 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.983 2.926 -6.882 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.304 2.754 -5.888 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.973 2.468 -4.681 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.070 1.095 -5.364 1.00 0.00 H new ATOM 309 N ILE A 22 0.082 0.547 -7.784 1.00 0.00 N ATOM 310 CA ILE A 22 1.017 0.107 -8.819 1.00 0.00 C ATOM 311 C ILE A 22 0.375 -0.053 -10.198 1.00 0.00 C ATOM 312 O ILE A 22 0.927 0.414 -11.198 1.00 0.00 O ATOM 313 CB ILE A 22 1.665 -1.227 -8.407 1.00 0.00 C ATOM 314 CG1 ILE A 22 2.178 -1.136 -6.965 1.00 0.00 C ATOM 315 CG2 ILE A 22 2.787 -1.595 -9.364 1.00 0.00 C ATOM 316 CD1 ILE A 22 2.992 -2.334 -6.531 1.00 0.00 C ATOM 0 H ILE A 22 0.187 0.045 -6.902 1.00 0.00 H new ATOM 0 HA ILE A 22 1.766 0.894 -8.906 1.00 0.00 H new ATOM 0 HB ILE A 22 0.914 -2.015 -8.457 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.787 -0.238 -6.862 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.327 -1.023 -6.293 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.232 -2.541 -9.056 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.387 -1.694 -10.373 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.548 -0.814 -9.350 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.320 -2.197 -5.501 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.381 -3.234 -6.601 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.863 -2.436 -7.178 1.00 0.00 H new ATOM 328 N ASP A 23 -0.766 -0.729 -10.244 1.00 0.00 N ATOM 329 CA ASP A 23 -1.465 -0.990 -11.504 1.00 0.00 C ATOM 330 C ASP A 23 -2.729 -1.782 -11.237 1.00 0.00 C ATOM 331 O ASP A 23 -3.649 -1.818 -12.050 1.00 0.00 O ATOM 332 CB ASP A 23 -0.572 -1.779 -12.474 1.00 0.00 C ATOM 333 CG ASP A 23 -1.257 -2.070 -13.796 1.00 0.00 C ATOM 334 OD1 ASP A 23 -1.387 -1.141 -14.620 1.00 0.00 O ATOM 335 OD2 ASP A 23 -1.668 -3.227 -14.017 1.00 0.00 O ATOM 0 H ASP A 23 -1.232 -1.110 -9.421 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.716 -0.031 -11.957 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.342 -1.215 -12.660 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.278 -2.719 -12.007 1.00 0.00 H new ATOM 340 N GLN A 24 -2.776 -2.384 -10.069 1.00 0.00 N ATOM 341 CA GLN A 24 -3.915 -3.179 -9.667 1.00 0.00 C ATOM 342 C GLN A 24 -4.388 -2.747 -8.297 1.00 0.00 C ATOM 343 O GLN A 24 -3.735 -1.937 -7.633 1.00 0.00 O ATOM 344 CB GLN A 24 -3.546 -4.665 -9.649 1.00 0.00 C ATOM 345 CG GLN A 24 -2.410 -4.996 -8.698 1.00 0.00 C ATOM 346 CD GLN A 24 -1.142 -5.395 -9.425 1.00 0.00 C ATOM 347 OE1 GLN A 24 -1.085 -6.453 -10.051 1.00 0.00 O ATOM 348 NE2 GLN A 24 -0.116 -4.559 -9.345 1.00 0.00 N ATOM 0 H GLN A 24 -2.030 -2.337 -9.375 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.720 -3.027 -10.386 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -4.425 -5.246 -9.369 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -3.268 -4.974 -10.656 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.206 -4.132 -8.066 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.717 -5.808 -8.038 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -0.205 -3.692 -8.816 1.00 0.00 H new ATOM 0 HE22 GLN A 24 0.762 -4.783 -9.813 1.00 0.00 H new ATOM 357 N TYR A 25 -5.445 -3.381 -7.834 1.00 0.00 N ATOM 358 CA TYR A 25 -5.938 -3.147 -6.498 1.00 0.00 C ATOM 359 C TYR A 25 -5.166 -4.010 -5.521 1.00 0.00 C ATOM 360 O TYR A 25 -4.464 -4.937 -5.922 1.00 0.00 O ATOM 361 CB TYR A 25 -7.435 -3.452 -6.414 1.00 0.00 C ATOM 362 CG TYR A 25 -8.256 -2.716 -7.447 1.00 0.00 C ATOM 363 CD1 TYR A 25 -8.078 -1.356 -7.650 1.00 0.00 C ATOM 364 CD2 TYR A 25 -9.195 -3.382 -8.228 1.00 0.00 C ATOM 365 CE1 TYR A 25 -8.811 -0.677 -8.601 1.00 0.00 C ATOM 366 CE2 TYR A 25 -9.930 -2.707 -9.185 1.00 0.00 C ATOM 367 CZ TYR A 25 -9.732 -1.354 -9.366 1.00 0.00 C ATOM 368 OH TYR A 25 -10.457 -0.672 -10.315 1.00 0.00 O ATOM 0 H TYR A 25 -5.980 -4.065 -8.368 1.00 0.00 H new ATOM 0 HA TYR A 25 -5.795 -2.097 -6.243 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -7.587 -4.524 -6.536 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.796 -3.190 -5.420 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.354 -0.820 -7.054 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -9.352 -4.441 -8.085 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -8.662 0.383 -8.744 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -10.654 -3.236 -9.787 1.00 0.00 H new ATOM 0 HH TYR A 25 -11.064 -1.292 -10.771 1.00 0.00 H new ATOM 378 N TRP A 26 -5.226 -3.645 -4.262 1.00 0.00 N ATOM 379 CA TRP A 26 -4.512 -4.349 -3.224 1.00 0.00 C ATOM 380 C TRP A 26 -5.401 -4.534 -2.006 1.00 0.00 C ATOM 381 O TRP A 26 -6.532 -4.043 -1.958 1.00 0.00 O ATOM 382 CB TRP A 26 -3.250 -3.586 -2.820 1.00 0.00 C ATOM 383 CG TRP A 26 -2.236 -3.469 -3.911 1.00 0.00 C ATOM 384 CD1 TRP A 26 -2.076 -2.421 -4.765 1.00 0.00 C ATOM 385 CD2 TRP A 26 -1.238 -4.430 -4.258 1.00 0.00 C ATOM 386 NE1 TRP A 26 -1.028 -2.667 -5.620 1.00 0.00 N ATOM 387 CE2 TRP A 26 -0.503 -3.900 -5.333 1.00 0.00 C ATOM 388 CE3 TRP A 26 -0.897 -5.692 -3.766 1.00 0.00 C ATOM 389 CZ2 TRP A 26 0.560 -4.585 -5.918 1.00 0.00 C ATOM 390 CZ3 TRP A 26 0.154 -6.371 -4.347 1.00 0.00 C ATOM 391 CH2 TRP A 26 0.870 -5.819 -5.416 1.00 0.00 C ATOM 0 H TRP A 26 -5.772 -2.851 -3.929 1.00 0.00 H new ATOM 0 HA TRP A 26 -4.225 -5.325 -3.615 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -3.532 -2.586 -2.491 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -2.793 -4.086 -1.966 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -2.683 -1.528 -4.770 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -0.696 -2.035 -6.349 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -1.446 -6.129 -2.945 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 1.119 -4.157 -6.738 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 0.429 -7.345 -3.971 1.00 0.00 H new ATOM 0 HH2 TRP A 26 1.684 -6.379 -5.853 1.00 0.00 H new ATOM 402 N HIS A 27 -4.837 -5.147 -0.992 1.00 0.00 N ATOM 403 CA HIS A 27 -5.523 -5.344 0.271 1.00 0.00 C ATOM 404 C HIS A 27 -4.806 -4.575 1.366 1.00 0.00 C ATOM 405 O HIS A 27 -3.580 -4.439 1.333 1.00 0.00 O ATOM 406 CB HIS A 27 -5.546 -6.826 0.642 1.00 0.00 C ATOM 407 CG HIS A 27 -6.795 -7.558 0.279 1.00 0.00 C ATOM 408 ND1 HIS A 27 -6.758 -8.725 -0.443 1.00 0.00 N ATOM 409 CD2 HIS A 27 -8.083 -7.286 0.604 1.00 0.00 C ATOM 410 CE1 HIS A 27 -8.005 -9.143 -0.538 1.00 0.00 C ATOM 411 NE2 HIS A 27 -8.853 -8.302 0.083 1.00 0.00 N ATOM 0 H HIS A 27 -3.890 -5.525 -1.016 1.00 0.00 H new ATOM 0 HA HIS A 27 -6.547 -4.984 0.168 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.703 -7.318 0.157 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.392 -6.916 1.717 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.438 -6.434 1.165 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -8.307 -10.045 -1.049 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -9.866 -8.398 0.154 1.00 0.00 H new ATOM 419 N GLU A 28 -5.555 -4.185 2.385 1.00 0.00 N ATOM 420 CA GLU A 28 -4.998 -3.531 3.552 1.00 0.00 C ATOM 421 C GLU A 28 -4.109 -4.501 4.326 1.00 0.00 C ATOM 422 O GLU A 28 -3.283 -4.103 5.147 1.00 0.00 O ATOM 423 CB GLU A 28 -6.143 -3.074 4.439 1.00 0.00 C ATOM 424 CG GLU A 28 -6.972 -1.950 3.840 1.00 0.00 C ATOM 425 CD GLU A 28 -6.560 -0.583 4.337 1.00 0.00 C ATOM 426 OE1 GLU A 28 -6.976 -0.199 5.452 1.00 0.00 O ATOM 427 OE2 GLU A 28 -5.834 0.121 3.610 1.00 0.00 O ATOM 0 H GLU A 28 -6.566 -4.314 2.424 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.395 -2.678 3.242 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.794 -3.924 4.643 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.739 -2.745 5.397 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.882 -1.978 2.754 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.023 -2.115 4.077 1.00 0.00 H new ATOM 434 N ASP A 29 -4.383 -5.777 4.117 1.00 0.00 N ATOM 435 CA ASP A 29 -3.705 -6.871 4.812 1.00 0.00 C ATOM 436 C ASP A 29 -2.860 -7.691 3.824 1.00 0.00 C ATOM 437 O ASP A 29 -2.428 -8.808 4.121 1.00 0.00 O ATOM 438 CB ASP A 29 -4.770 -7.754 5.486 1.00 0.00 C ATOM 439 CG ASP A 29 -4.202 -8.899 6.305 1.00 0.00 C ATOM 440 OD1 ASP A 29 -3.495 -8.638 7.296 1.00 0.00 O ATOM 441 OD2 ASP A 29 -4.490 -10.072 5.971 1.00 0.00 O ATOM 0 H ASP A 29 -5.090 -6.092 3.453 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.031 -6.471 5.569 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.386 -7.130 6.133 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.426 -8.162 4.718 1.00 0.00 H new ATOM 446 N CYS A 30 -2.605 -7.120 2.649 1.00 0.00 N ATOM 447 CA CYS A 30 -1.825 -7.806 1.624 1.00 0.00 C ATOM 448 C CYS A 30 -0.601 -7.003 1.200 1.00 0.00 C ATOM 449 O CYS A 30 0.415 -7.576 0.797 1.00 0.00 O ATOM 450 CB CYS A 30 -2.684 -8.076 0.405 1.00 0.00 C ATOM 451 SG CYS A 30 -3.469 -9.724 0.386 1.00 0.00 S ATOM 0 H CYS A 30 -2.926 -6.189 2.385 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.483 -8.745 2.060 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -3.463 -7.315 0.349 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -2.069 -7.970 -0.489 1.00 0.00 H new ATOM 456 N LEU A 31 -0.721 -5.690 1.200 1.00 0.00 N ATOM 457 CA LEU A 31 0.388 -4.843 0.780 1.00 0.00 C ATOM 458 C LEU A 31 1.290 -4.455 1.954 1.00 0.00 C ATOM 459 O LEU A 31 0.894 -3.673 2.824 1.00 0.00 O ATOM 460 CB LEU A 31 -0.093 -3.578 0.070 1.00 0.00 C ATOM 461 CG LEU A 31 1.017 -2.824 -0.671 1.00 0.00 C ATOM 462 CD1 LEU A 31 0.590 -2.478 -2.085 1.00 0.00 C ATOM 463 CD2 LEU A 31 1.419 -1.572 0.090 1.00 0.00 C ATOM 0 H LEU A 31 -1.563 -5.187 1.482 1.00 0.00 H new ATOM 0 HA LEU A 31 0.968 -5.439 0.076 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.874 -3.847 -0.641 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.545 -2.911 0.804 1.00 0.00 H new ATOM 0 HG LEU A 31 1.885 -3.480 -0.732 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.396 -1.944 -2.588 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.365 -3.394 -2.632 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.299 -1.848 -2.053 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.208 -1.053 -0.454 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.555 -0.915 0.192 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.783 -1.849 1.080 1.00 0.00 H new ATOM 475 N SER A 32 2.550 -4.883 1.875 1.00 0.00 N ATOM 476 CA SER A 32 3.581 -4.492 2.829 1.00 0.00 C ATOM 477 C SER A 32 4.938 -5.065 2.414 1.00 0.00 C ATOM 478 O SER A 32 5.132 -5.408 1.249 1.00 0.00 O ATOM 479 CB SER A 32 3.223 -4.938 4.247 1.00 0.00 C ATOM 480 OG SER A 32 2.550 -3.901 4.938 1.00 0.00 O ATOM 0 H SER A 32 2.883 -5.512 1.144 1.00 0.00 H new ATOM 0 HA SER A 32 3.645 -3.404 2.827 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.592 -5.826 4.207 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.128 -5.215 4.787 1.00 0.00 H new ATOM 0 HG SER A 32 1.815 -3.563 4.385 1.00 0.00 H new ATOM 486 N CYS A 33 5.881 -5.086 3.358 1.00 0.00 N ATOM 487 CA CYS A 33 7.248 -5.511 3.114 1.00 0.00 C ATOM 488 C CYS A 33 7.327 -6.819 2.322 1.00 0.00 C ATOM 489 O CYS A 33 6.938 -7.878 2.815 1.00 0.00 O ATOM 490 CB CYS A 33 7.943 -5.685 4.464 1.00 0.00 C ATOM 491 SG CYS A 33 8.666 -4.166 5.156 1.00 0.00 S ATOM 0 H CYS A 33 5.708 -4.804 4.323 1.00 0.00 H new ATOM 0 HA CYS A 33 7.739 -4.748 2.511 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.223 -6.085 5.178 1.00 0.00 H new ATOM 0 HB3 CYS A 33 8.732 -6.429 4.356 1.00 0.00 H new ATOM 496 N ASP A 34 7.953 -6.756 1.155 1.00 0.00 N ATOM 497 CA ASP A 34 8.223 -7.961 0.380 1.00 0.00 C ATOM 498 C ASP A 34 9.647 -8.413 0.645 1.00 0.00 C ATOM 499 O ASP A 34 9.931 -9.605 0.763 1.00 0.00 O ATOM 500 CB ASP A 34 8.026 -7.712 -1.116 1.00 0.00 C ATOM 501 CG ASP A 34 7.568 -8.958 -1.858 1.00 0.00 C ATOM 502 OD1 ASP A 34 8.182 -10.029 -1.674 1.00 0.00 O ATOM 503 OD2 ASP A 34 6.592 -8.879 -2.632 1.00 0.00 O ATOM 0 H ASP A 34 8.282 -5.891 0.726 1.00 0.00 H new ATOM 0 HA ASP A 34 7.522 -8.738 0.685 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.291 -6.919 -1.255 1.00 0.00 H new ATOM 0 HB3 ASP A 34 8.962 -7.359 -1.549 1.00 0.00 H new ATOM 508 N LEU A 35 10.528 -7.431 0.792 1.00 0.00 N ATOM 509 CA LEU A 35 11.930 -7.685 1.089 1.00 0.00 C ATOM 510 C LEU A 35 12.086 -8.273 2.491 1.00 0.00 C ATOM 511 O LEU A 35 12.654 -9.352 2.662 1.00 0.00 O ATOM 512 CB LEU A 35 12.735 -6.388 0.961 1.00 0.00 C ATOM 513 CG LEU A 35 14.173 -6.455 1.475 1.00 0.00 C ATOM 514 CD1 LEU A 35 15.129 -6.802 0.345 1.00 0.00 C ATOM 515 CD2 LEU A 35 14.562 -5.136 2.120 1.00 0.00 C ATOM 0 H LEU A 35 10.292 -6.442 0.709 1.00 0.00 H new ATOM 0 HA LEU A 35 12.313 -8.411 0.371 1.00 0.00 H new ATOM 0 HB2 LEU A 35 12.756 -6.095 -0.089 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.210 -5.600 1.501 1.00 0.00 H new ATOM 0 HG LEU A 35 14.237 -7.241 2.228 1.00 0.00 H new ATOM 0 HD11 LEU A 35 16.148 -6.845 0.730 1.00 0.00 H new ATOM 0 HD12 LEU A 35 14.859 -7.771 -0.076 1.00 0.00 H new ATOM 0 HD13 LEU A 35 15.067 -6.039 -0.431 1.00 0.00 H new ATOM 0 HD21 LEU A 35 15.588 -5.197 2.482 1.00 0.00 H new ATOM 0 HD22 LEU A 35 14.483 -4.335 1.385 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.894 -4.929 2.956 1.00 0.00 H new ATOM 527 N CYS A 36 11.552 -7.575 3.485 1.00 0.00 N ATOM 528 CA CYS A 36 11.619 -8.038 4.865 1.00 0.00 C ATOM 529 C CYS A 36 10.511 -9.041 5.162 1.00 0.00 C ATOM 530 O CYS A 36 10.749 -10.091 5.758 1.00 0.00 O ATOM 531 CB CYS A 36 11.512 -6.853 5.823 1.00 0.00 C ATOM 532 SG CYS A 36 12.361 -5.351 5.247 1.00 0.00 S ATOM 0 H CYS A 36 11.068 -6.686 3.361 1.00 0.00 H new ATOM 0 HA CYS A 36 12.579 -8.534 5.007 1.00 0.00 H new ATOM 0 HB2 CYS A 36 10.459 -6.623 5.983 1.00 0.00 H new ATOM 0 HB3 CYS A 36 11.925 -7.143 6.789 1.00 0.00 H new ATOM 537 N GLY A 37 9.294 -8.680 4.798 1.00 0.00 N ATOM 538 CA GLY A 37 8.156 -9.529 5.080 1.00 0.00 C ATOM 539 C GLY A 37 7.349 -9.020 6.256 1.00 0.00 C ATOM 540 O GLY A 37 6.404 -9.675 6.701 1.00 0.00 O ATOM 0 H GLY A 37 9.071 -7.812 4.311 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.517 -9.585 4.198 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.501 -10.542 5.288 1.00 0.00 H new ATOM 544 N CYS A 38 7.705 -7.838 6.743 1.00 0.00 N ATOM 545 CA CYS A 38 7.004 -7.222 7.847 1.00 0.00 C ATOM 546 C CYS A 38 5.853 -6.359 7.327 1.00 0.00 C ATOM 547 O CYS A 38 4.916 -6.872 6.716 1.00 0.00 O ATOM 548 CB CYS A 38 7.985 -6.390 8.678 1.00 0.00 C ATOM 549 SG CYS A 38 9.566 -7.214 8.991 1.00 0.00 S ATOM 0 H CYS A 38 8.484 -7.287 6.382 1.00 0.00 H new ATOM 0 HA CYS A 38 6.580 -7.997 8.485 1.00 0.00 H new ATOM 0 HB2 CYS A 38 8.173 -5.448 8.163 1.00 0.00 H new ATOM 0 HB3 CYS A 38 7.520 -6.144 9.633 1.00 0.00 H new ATOM 0 HG CYS A 38 10.329 -6.434 9.698 1.00 0.00 H new ATOM 555 N ARG A 39 5.950 -5.049 7.515 1.00 0.00 N ATOM 556 CA ARG A 39 4.927 -4.125 7.041 1.00 0.00 C ATOM 557 C ARG A 39 5.484 -2.714 6.887 1.00 0.00 C ATOM 558 O ARG A 39 6.400 -2.319 7.607 1.00 0.00 O ATOM 559 CB ARG A 39 3.714 -4.099 7.984 1.00 0.00 C ATOM 560 CG ARG A 39 3.940 -4.750 9.341 1.00 0.00 C ATOM 561 CD ARG A 39 2.618 -5.069 10.023 1.00 0.00 C ATOM 562 NE ARG A 39 2.248 -6.479 9.894 1.00 0.00 N ATOM 563 CZ ARG A 39 2.245 -7.340 10.914 1.00 0.00 C ATOM 564 NH1 ARG A 39 2.596 -6.937 12.130 1.00 0.00 N ATOM 565 NH2 ARG A 39 1.878 -8.600 10.719 1.00 0.00 N ATOM 0 H ARG A 39 6.731 -4.601 7.995 1.00 0.00 H new ATOM 0 HA ARG A 39 4.603 -4.485 6.064 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.417 -3.062 8.140 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.880 -4.599 7.492 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.519 -5.665 9.217 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.528 -4.085 9.974 1.00 0.00 H new ATOM 0 HD2 ARG A 39 2.686 -4.809 11.079 1.00 0.00 H new ATOM 0 HD3 ARG A 39 1.832 -4.449 9.592 1.00 0.00 H new ATOM 0 HE ARG A 39 1.977 -6.823 8.973 1.00 0.00 H new ATOM 0 HH11 ARG A 39 2.869 -5.967 12.287 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.592 -7.598 12.907 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.598 -8.911 9.789 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.876 -9.257 11.499 1.00 0.00 H new ATOM 579 N LEU A 40 4.885 -1.945 5.981 1.00 0.00 N ATOM 580 CA LEU A 40 5.293 -0.559 5.748 1.00 0.00 C ATOM 581 C LEU A 40 4.187 0.404 6.165 1.00 0.00 C ATOM 582 O LEU A 40 3.979 1.444 5.539 1.00 0.00 O ATOM 583 CB LEU A 40 5.638 -0.329 4.273 1.00 0.00 C ATOM 584 CG LEU A 40 5.490 -1.540 3.369 1.00 0.00 C ATOM 585 CD1 LEU A 40 4.603 -1.205 2.181 1.00 0.00 C ATOM 586 CD2 LEU A 40 6.858 -2.009 2.912 1.00 0.00 C ATOM 0 H LEU A 40 4.112 -2.258 5.393 1.00 0.00 H new ATOM 0 HA LEU A 40 6.181 -0.371 6.352 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.002 0.468 3.889 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.667 0.026 4.210 1.00 0.00 H new ATOM 0 HG LEU A 40 5.016 -2.348 3.925 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.505 -2.082 1.541 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.618 -0.903 2.536 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.049 -0.389 1.613 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.747 -2.878 2.264 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.353 -1.208 2.363 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.459 -2.279 3.780 1.00 0.00 H new ATOM 598 N GLY A 41 3.443 0.025 7.190 1.00 0.00 N ATOM 599 CA GLY A 41 2.334 0.835 7.648 1.00 0.00 C ATOM 600 C GLY A 41 1.140 -0.020 7.998 1.00 0.00 C ATOM 601 O GLY A 41 0.806 -0.181 9.169 1.00 0.00 O ATOM 0 H GLY A 41 3.588 -0.836 7.717 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.639 1.413 8.520 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.058 1.550 6.873 1.00 0.00 H new ATOM 605 N GLU A 42 0.567 -0.655 6.988 1.00 0.00 N ATOM 606 CA GLU A 42 -0.537 -1.580 7.192 1.00 0.00 C ATOM 607 C GLU A 42 0.000 -2.974 7.508 1.00 0.00 C ATOM 608 O GLU A 42 0.737 -3.161 8.471 1.00 0.00 O ATOM 609 CB GLU A 42 -1.435 -1.627 5.948 1.00 0.00 C ATOM 610 CG GLU A 42 -2.432 -0.481 5.844 1.00 0.00 C ATOM 611 CD GLU A 42 -2.762 0.138 7.185 1.00 0.00 C ATOM 612 OE1 GLU A 42 -3.384 -0.548 8.025 1.00 0.00 O ATOM 613 OE2 GLU A 42 -2.393 1.309 7.407 1.00 0.00 O ATOM 0 H GLU A 42 0.850 -0.546 6.014 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.133 -1.231 8.035 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.804 -1.624 5.060 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.983 -2.569 5.946 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.027 0.287 5.185 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.350 -0.846 5.382 1.00 0.00 H new ATOM 620 N VAL A 43 -0.334 -3.938 6.667 1.00 0.00 N ATOM 621 CA VAL A 43 0.129 -5.307 6.826 1.00 0.00 C ATOM 622 C VAL A 43 0.027 -6.011 5.475 1.00 0.00 C ATOM 623 O VAL A 43 -0.789 -5.620 4.643 1.00 0.00 O ATOM 624 CB VAL A 43 -0.696 -6.052 7.913 1.00 0.00 C ATOM 625 CG1 VAL A 43 -2.172 -5.700 7.819 1.00 0.00 C ATOM 626 CG2 VAL A 43 -0.504 -7.558 7.834 1.00 0.00 C ATOM 0 H VAL A 43 -0.934 -3.794 5.855 1.00 0.00 H new ATOM 0 HA VAL A 43 1.166 -5.309 7.160 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.322 -5.719 8.881 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.724 -6.236 8.591 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.300 -4.627 7.960 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.552 -5.985 6.838 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.097 -8.042 8.610 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.826 -7.915 6.856 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.549 -7.799 7.979 1.00 0.00 H new ATOM 636 N GLY A 44 0.933 -6.941 5.189 1.00 0.00 N ATOM 637 CA GLY A 44 0.930 -7.560 3.882 1.00 0.00 C ATOM 638 C GLY A 44 2.242 -8.222 3.514 1.00 0.00 C ATOM 639 O GLY A 44 3.087 -8.461 4.375 1.00 0.00 O ATOM 0 H GLY A 44 1.656 -7.271 5.828 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.135 -8.305 3.845 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.693 -6.804 3.133 1.00 0.00 H new ATOM 643 N ARG A 45 2.363 -8.594 2.242 1.00 0.00 N ATOM 644 CA ARG A 45 3.520 -9.338 1.759 1.00 0.00 C ATOM 645 C ARG A 45 4.107 -8.741 0.469 1.00 0.00 C ATOM 646 O ARG A 45 5.284 -8.930 0.189 1.00 0.00 O ATOM 647 CB ARG A 45 3.137 -10.809 1.545 1.00 0.00 C ATOM 648 CG ARG A 45 2.175 -11.043 0.387 1.00 0.00 C ATOM 649 CD ARG A 45 0.723 -11.080 0.844 1.00 0.00 C ATOM 650 NE ARG A 45 0.525 -11.955 1.999 1.00 0.00 N ATOM 651 CZ ARG A 45 -0.604 -12.012 2.710 1.00 0.00 C ATOM 652 NH1 ARG A 45 -1.661 -11.283 2.362 1.00 0.00 N ATOM 653 NH2 ARG A 45 -0.685 -12.817 3.758 1.00 0.00 N ATOM 0 H ARG A 45 1.668 -8.390 1.524 1.00 0.00 H new ATOM 0 HA ARG A 45 4.298 -9.268 2.520 1.00 0.00 H new ATOM 0 HB2 ARG A 45 4.044 -11.387 1.371 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.686 -11.192 2.460 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.301 -10.253 -0.353 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.423 -11.983 -0.105 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.398 -10.071 1.096 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.094 -11.421 0.021 1.00 0.00 H new ATOM 0 HE ARG A 45 1.297 -12.559 2.279 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.614 -10.673 1.546 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -2.519 -11.334 2.912 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.114 -13.393 4.022 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.547 -12.861 4.302 1.00 0.00 H new ATOM 667 N ARG A 46 3.299 -8.007 -0.302 1.00 0.00 N ATOM 668 CA ARG A 46 3.786 -7.363 -1.532 1.00 0.00 C ATOM 669 C ARG A 46 3.506 -5.866 -1.473 1.00 0.00 C ATOM 670 O ARG A 46 2.597 -5.450 -0.779 1.00 0.00 O ATOM 671 CB ARG A 46 3.116 -7.948 -2.785 1.00 0.00 C ATOM 672 CG ARG A 46 2.523 -9.335 -2.602 1.00 0.00 C ATOM 673 CD ARG A 46 2.957 -10.276 -3.714 1.00 0.00 C ATOM 674 NE ARG A 46 1.871 -10.567 -4.650 1.00 0.00 N ATOM 675 CZ ARG A 46 1.629 -11.777 -5.154 1.00 0.00 C ATOM 676 NH1 ARG A 46 2.406 -12.802 -4.832 1.00 0.00 N ATOM 677 NH2 ARG A 46 0.611 -11.955 -5.989 1.00 0.00 N ATOM 0 H ARG A 46 2.312 -7.843 -0.101 1.00 0.00 H new ATOM 0 HA ARG A 46 4.858 -7.548 -1.599 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.326 -7.270 -3.107 1.00 0.00 H new ATOM 0 HB3 ARG A 46 3.851 -7.986 -3.589 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.833 -9.740 -1.639 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.435 -9.268 -2.584 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.792 -9.833 -4.256 1.00 0.00 H new ATOM 0 HD3 ARG A 46 3.318 -11.208 -3.278 1.00 0.00 H new ATOM 0 HE ARG A 46 1.263 -9.799 -4.934 1.00 0.00 H new ATOM 0 HH11 ARG A 46 3.192 -12.666 -4.197 1.00 0.00 H new ATOM 0 HH12 ARG A 46 2.218 -13.726 -5.220 1.00 0.00 H new ATOM 0 HH21 ARG A 46 0.016 -11.166 -6.243 1.00 0.00 H new ATOM 0 HH22 ARG A 46 0.424 -12.880 -6.376 1.00 0.00 H new ATOM 691 N LEU A 47 4.309 -5.058 -2.154 1.00 0.00 N ATOM 692 CA LEU A 47 4.162 -3.606 -2.099 1.00 0.00 C ATOM 693 C LEU A 47 4.714 -2.959 -3.367 1.00 0.00 C ATOM 694 O LEU A 47 4.919 -3.641 -4.372 1.00 0.00 O ATOM 695 CB LEU A 47 4.787 -3.011 -0.815 1.00 0.00 C ATOM 696 CG LEU A 47 6.320 -3.081 -0.602 1.00 0.00 C ATOM 697 CD1 LEU A 47 7.036 -3.997 -1.591 1.00 0.00 C ATOM 698 CD2 LEU A 47 6.904 -1.674 -0.637 1.00 0.00 C ATOM 0 H LEU A 47 5.069 -5.382 -2.752 1.00 0.00 H new ATOM 0 HA LEU A 47 3.097 -3.378 -2.052 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.500 -1.960 -0.770 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.318 -3.506 0.035 1.00 0.00 H new ATOM 0 HG LEU A 47 6.486 -3.528 0.378 1.00 0.00 H new ATOM 0 HD11 LEU A 47 8.105 -3.995 -1.380 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.649 -5.011 -1.494 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.866 -3.640 -2.607 1.00 0.00 H new ATOM 0 HD21 LEU A 47 7.982 -1.724 -0.487 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.693 -1.216 -1.603 1.00 0.00 H new ATOM 0 HD23 LEU A 47 6.455 -1.074 0.154 1.00 0.00 H new ATOM 710 N TYR A 48 4.991 -1.661 -3.308 1.00 0.00 N ATOM 711 CA TYR A 48 5.560 -0.957 -4.449 1.00 0.00 C ATOM 712 C TYR A 48 6.975 -1.477 -4.661 1.00 0.00 C ATOM 713 O TYR A 48 7.598 -1.972 -3.728 1.00 0.00 O ATOM 714 CB TYR A 48 5.580 0.559 -4.172 1.00 0.00 C ATOM 715 CG TYR A 48 6.941 1.204 -4.345 1.00 0.00 C ATOM 716 CD1 TYR A 48 7.961 0.988 -3.423 1.00 0.00 C ATOM 717 CD2 TYR A 48 7.213 2.005 -5.443 1.00 0.00 C ATOM 718 CE1 TYR A 48 9.208 1.554 -3.595 1.00 0.00 C ATOM 719 CE2 TYR A 48 8.453 2.570 -5.620 1.00 0.00 C ATOM 720 CZ TYR A 48 9.448 2.346 -4.696 1.00 0.00 C ATOM 721 OH TYR A 48 10.688 2.913 -4.890 1.00 0.00 O ATOM 0 H TYR A 48 4.831 -1.078 -2.486 1.00 0.00 H new ATOM 0 HA TYR A 48 4.961 -1.129 -5.343 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.871 1.048 -4.840 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.233 0.736 -3.154 1.00 0.00 H new ATOM 0 HD1 TYR A 48 7.774 0.368 -2.559 1.00 0.00 H new ATOM 0 HD2 TYR A 48 6.437 2.188 -6.172 1.00 0.00 H new ATOM 0 HE1 TYR A 48 9.990 1.377 -2.871 1.00 0.00 H new ATOM 0 HE2 TYR A 48 8.647 3.189 -6.483 1.00 0.00 H new ATOM 0 HH TYR A 48 10.835 3.059 -5.848 1.00 0.00 H new ATOM 731 N TYR A 49 7.403 -1.570 -5.899 1.00 0.00 N ATOM 732 CA TYR A 49 8.639 -2.272 -6.165 1.00 0.00 C ATOM 733 C TYR A 49 9.538 -1.544 -7.143 1.00 0.00 C ATOM 734 O TYR A 49 9.104 -0.646 -7.868 1.00 0.00 O ATOM 735 CB TYR A 49 8.332 -3.689 -6.649 1.00 0.00 C ATOM 736 CG TYR A 49 7.699 -3.794 -8.024 1.00 0.00 C ATOM 737 CD1 TYR A 49 6.466 -3.213 -8.298 1.00 0.00 C ATOM 738 CD2 TYR A 49 8.330 -4.500 -9.041 1.00 0.00 C ATOM 739 CE1 TYR A 49 5.884 -3.328 -9.548 1.00 0.00 C ATOM 740 CE2 TYR A 49 7.754 -4.621 -10.292 1.00 0.00 C ATOM 741 CZ TYR A 49 6.532 -4.032 -10.540 1.00 0.00 C ATOM 742 OH TYR A 49 5.952 -4.155 -11.785 1.00 0.00 O ATOM 0 H TYR A 49 6.931 -1.182 -6.716 1.00 0.00 H new ATOM 0 HA TYR A 49 9.195 -2.319 -5.229 1.00 0.00 H new ATOM 0 HB2 TYR A 49 9.260 -4.261 -6.652 1.00 0.00 H new ATOM 0 HB3 TYR A 49 7.668 -4.164 -5.927 1.00 0.00 H new ATOM 0 HD1 TYR A 49 5.954 -2.663 -7.522 1.00 0.00 H new ATOM 0 HD2 TYR A 49 9.287 -4.962 -8.851 1.00 0.00 H new ATOM 0 HE1 TYR A 49 4.927 -2.868 -9.745 1.00 0.00 H new ATOM 0 HE2 TYR A 49 8.258 -5.174 -11.071 1.00 0.00 H new ATOM 0 HH TYR A 49 6.539 -4.680 -12.369 1.00 0.00 H new ATOM 752 N LYS A 50 10.788 -1.981 -7.178 1.00 0.00 N ATOM 753 CA LYS A 50 11.776 -1.441 -8.089 1.00 0.00 C ATOM 754 C LYS A 50 11.560 -2.022 -9.478 1.00 0.00 C ATOM 755 O LYS A 50 10.700 -2.877 -9.666 1.00 0.00 O ATOM 756 CB LYS A 50 13.191 -1.753 -7.586 1.00 0.00 C ATOM 757 CG LYS A 50 14.058 -0.520 -7.378 1.00 0.00 C ATOM 758 CD LYS A 50 15.410 -0.677 -8.058 1.00 0.00 C ATOM 759 CE LYS A 50 16.438 0.312 -7.527 1.00 0.00 C ATOM 760 NZ LYS A 50 17.820 -0.058 -7.939 1.00 0.00 N ATOM 0 H LYS A 50 11.143 -2.722 -6.573 1.00 0.00 H new ATOM 0 HA LYS A 50 11.665 -0.358 -8.138 1.00 0.00 H new ATOM 0 HB2 LYS A 50 13.119 -2.298 -6.645 1.00 0.00 H new ATOM 0 HB3 LYS A 50 13.682 -2.414 -8.300 1.00 0.00 H new ATOM 0 HG2 LYS A 50 13.548 0.358 -7.775 1.00 0.00 H new ATOM 0 HG3 LYS A 50 14.202 -0.349 -6.311 1.00 0.00 H new ATOM 0 HD2 LYS A 50 15.775 -1.693 -7.908 1.00 0.00 H new ATOM 0 HD3 LYS A 50 15.293 -0.536 -9.132 1.00 0.00 H new ATOM 0 HE2 LYS A 50 16.204 1.312 -7.893 1.00 0.00 H new ATOM 0 HE3 LYS A 50 16.380 0.349 -6.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.503 0.566 -7.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 18.009 -1.045 -7.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 17.915 0.046 -8.969 1.00 0.00 H new ATOM 774 N LEU A 51 12.267 -1.484 -10.459 1.00 0.00 N ATOM 775 CA LEU A 51 12.088 -1.872 -11.859 1.00 0.00 C ATOM 776 C LEU A 51 12.203 -3.385 -12.091 1.00 0.00 C ATOM 777 O LEU A 51 11.786 -3.884 -13.139 1.00 0.00 O ATOM 778 CB LEU A 51 13.085 -1.133 -12.783 1.00 0.00 C ATOM 779 CG LEU A 51 14.472 -0.759 -12.212 1.00 0.00 C ATOM 780 CD1 LEU A 51 14.402 0.529 -11.407 1.00 0.00 C ATOM 781 CD2 LEU A 51 15.074 -1.887 -11.379 1.00 0.00 C ATOM 0 H LEU A 51 12.979 -0.769 -10.314 1.00 0.00 H new ATOM 0 HA LEU A 51 11.069 -1.578 -12.111 1.00 0.00 H new ATOM 0 HB2 LEU A 51 13.244 -1.754 -13.665 1.00 0.00 H new ATOM 0 HB3 LEU A 51 12.606 -0.214 -13.122 1.00 0.00 H new ATOM 0 HG LEU A 51 15.134 -0.597 -13.063 1.00 0.00 H new ATOM 0 HD11 LEU A 51 15.391 0.769 -11.017 1.00 0.00 H new ATOM 0 HD12 LEU A 51 14.058 1.341 -12.048 1.00 0.00 H new ATOM 0 HD13 LEU A 51 13.706 0.402 -10.578 1.00 0.00 H new ATOM 0 HD21 LEU A 51 16.048 -1.579 -10.999 1.00 0.00 H new ATOM 0 HD22 LEU A 51 14.413 -2.114 -10.542 1.00 0.00 H new ATOM 0 HD23 LEU A 51 15.192 -2.775 -12.000 1.00 0.00 H new ATOM 793 N GLY A 52 12.827 -4.102 -11.165 1.00 0.00 N ATOM 794 CA GLY A 52 13.055 -5.514 -11.374 1.00 0.00 C ATOM 795 C GLY A 52 12.369 -6.409 -10.357 1.00 0.00 C ATOM 796 O GLY A 52 11.943 -7.512 -10.698 1.00 0.00 O ATOM 0 H GLY A 52 13.176 -3.733 -10.281 1.00 0.00 H new ATOM 0 HA2 GLY A 52 12.708 -5.783 -12.372 1.00 0.00 H new ATOM 0 HA3 GLY A 52 14.128 -5.706 -11.346 1.00 0.00 H new ATOM 800 N ARG A 53 12.316 -5.989 -9.096 1.00 0.00 N ATOM 801 CA ARG A 53 11.768 -6.854 -8.054 1.00 0.00 C ATOM 802 C ARG A 53 11.093 -6.062 -6.942 1.00 0.00 C ATOM 803 O ARG A 53 11.349 -4.869 -6.763 1.00 0.00 O ATOM 804 CB ARG A 53 12.866 -7.757 -7.473 1.00 0.00 C ATOM 805 CG ARG A 53 13.770 -7.073 -6.457 1.00 0.00 C ATOM 806 CD ARG A 53 14.131 -8.008 -5.316 1.00 0.00 C ATOM 807 NE ARG A 53 15.519 -7.843 -4.896 1.00 0.00 N ATOM 808 CZ ARG A 53 16.012 -8.276 -3.732 1.00 0.00 C ATOM 809 NH1 ARG A 53 15.224 -8.854 -2.832 1.00 0.00 N ATOM 810 NH2 ARG A 53 17.300 -8.116 -3.461 1.00 0.00 N ATOM 0 H ARG A 53 12.638 -5.076 -8.775 1.00 0.00 H new ATOM 0 HA ARG A 53 11.003 -7.474 -8.521 1.00 0.00 H new ATOM 0 HB2 ARG A 53 12.397 -8.621 -7.001 1.00 0.00 H new ATOM 0 HB3 ARG A 53 13.480 -8.135 -8.291 1.00 0.00 H new ATOM 0 HG2 ARG A 53 14.680 -6.731 -6.950 1.00 0.00 H new ATOM 0 HG3 ARG A 53 13.270 -6.189 -6.061 1.00 0.00 H new ATOM 0 HD2 ARG A 53 13.471 -7.820 -4.469 1.00 0.00 H new ATOM 0 HD3 ARG A 53 13.966 -9.040 -5.626 1.00 0.00 H new ATOM 0 HE ARG A 53 16.155 -7.365 -5.534 1.00 0.00 H new ATOM 0 HH11 ARG A 53 14.229 -8.972 -3.026 1.00 0.00 H new ATOM 0 HH12 ARG A 53 15.614 -9.180 -1.947 1.00 0.00 H new ATOM 0 HH21 ARG A 53 17.912 -7.663 -4.140 1.00 0.00 H new ATOM 0 HH22 ARG A 53 17.679 -8.446 -2.573 1.00 0.00 H new ATOM 824 N LYS A 54 10.213 -6.741 -6.216 1.00 0.00 N ATOM 825 CA LYS A 54 9.456 -6.125 -5.135 1.00 0.00 C ATOM 826 C LYS A 54 10.303 -5.970 -3.885 1.00 0.00 C ATOM 827 O LYS A 54 10.796 -6.951 -3.329 1.00 0.00 O ATOM 828 CB LYS A 54 8.207 -6.943 -4.817 1.00 0.00 C ATOM 829 CG LYS A 54 7.158 -6.902 -5.917 1.00 0.00 C ATOM 830 CD LYS A 54 5.815 -6.427 -5.387 1.00 0.00 C ATOM 831 CE LYS A 54 4.715 -6.576 -6.427 1.00 0.00 C ATOM 832 NZ LYS A 54 4.695 -7.937 -7.021 1.00 0.00 N ATOM 0 H LYS A 54 10.005 -7.729 -6.360 1.00 0.00 H new ATOM 0 HA LYS A 54 9.155 -5.132 -5.470 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.496 -7.979 -4.640 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.766 -6.573 -3.891 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.491 -6.238 -6.715 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.048 -7.895 -6.354 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.553 -6.998 -4.496 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.892 -5.382 -5.085 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.749 -6.367 -5.967 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.859 -5.838 -7.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.771 -8.108 -7.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.444 -8.014 -7.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.856 -8.644 -6.275 1.00 0.00 H new ATOM 846 N LEU A 55 10.438 -4.735 -3.436 1.00 0.00 N ATOM 847 CA LEU A 55 11.182 -4.431 -2.231 1.00 0.00 C ATOM 848 C LEU A 55 10.769 -3.057 -1.716 1.00 0.00 C ATOM 849 O LEU A 55 10.252 -2.237 -2.476 1.00 0.00 O ATOM 850 CB LEU A 55 12.690 -4.532 -2.505 1.00 0.00 C ATOM 851 CG LEU A 55 13.500 -3.250 -2.342 1.00 0.00 C ATOM 852 CD1 LEU A 55 14.833 -3.566 -1.683 1.00 0.00 C ATOM 853 CD2 LEU A 55 13.711 -2.581 -3.693 1.00 0.00 C ATOM 0 H LEU A 55 10.036 -3.918 -3.896 1.00 0.00 H new ATOM 0 HA LEU A 55 10.953 -5.157 -1.451 1.00 0.00 H new ATOM 0 HB2 LEU A 55 13.108 -5.286 -1.838 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.828 -4.895 -3.523 1.00 0.00 H new ATOM 0 HG LEU A 55 12.950 -2.558 -1.705 1.00 0.00 H new ATOM 0 HD11 LEU A 55 15.409 -2.648 -1.568 1.00 0.00 H new ATOM 0 HD12 LEU A 55 14.658 -4.010 -0.703 1.00 0.00 H new ATOM 0 HD13 LEU A 55 15.389 -4.268 -2.305 1.00 0.00 H new ATOM 0 HD21 LEU A 55 14.291 -1.667 -3.560 1.00 0.00 H new ATOM 0 HD22 LEU A 55 14.249 -3.259 -4.355 1.00 0.00 H new ATOM 0 HD23 LEU A 55 12.744 -2.336 -4.133 1.00 0.00 H new ATOM 865 N CYS A 56 10.802 -2.906 -0.404 1.00 0.00 N ATOM 866 CA CYS A 56 10.242 -1.747 0.267 1.00 0.00 C ATOM 867 C CYS A 56 10.993 -0.459 -0.053 1.00 0.00 C ATOM 868 O CYS A 56 12.214 -0.451 -0.166 1.00 0.00 O ATOM 869 CB CYS A 56 10.287 -2.036 1.751 1.00 0.00 C ATOM 870 SG CYS A 56 10.898 -3.718 2.092 1.00 0.00 S ATOM 0 H CYS A 56 11.220 -3.588 0.229 1.00 0.00 H new ATOM 0 HA CYS A 56 9.222 -1.584 -0.080 1.00 0.00 H new ATOM 0 HB2 CYS A 56 10.931 -1.308 2.244 1.00 0.00 H new ATOM 0 HB3 CYS A 56 9.290 -1.918 2.175 1.00 0.00 H new ATOM 875 N ARG A 57 10.247 0.636 -0.130 1.00 0.00 N ATOM 876 CA ARG A 57 10.816 1.948 -0.418 1.00 0.00 C ATOM 877 C ARG A 57 11.761 2.391 0.691 1.00 0.00 C ATOM 878 O ARG A 57 12.888 2.803 0.436 1.00 0.00 O ATOM 879 CB ARG A 57 9.694 2.981 -0.602 1.00 0.00 C ATOM 880 CG ARG A 57 10.187 4.395 -0.880 1.00 0.00 C ATOM 881 CD ARG A 57 10.863 4.505 -2.240 1.00 0.00 C ATOM 882 NE ARG A 57 11.814 5.609 -2.288 1.00 0.00 N ATOM 883 CZ ARG A 57 12.616 5.848 -3.320 1.00 0.00 C ATOM 884 NH1 ARG A 57 12.561 5.066 -4.391 1.00 0.00 N ATOM 885 NH2 ARG A 57 13.443 6.886 -3.296 1.00 0.00 N ATOM 0 H ARG A 57 9.236 0.641 0.004 1.00 0.00 H new ATOM 0 HA ARG A 57 11.389 1.875 -1.342 1.00 0.00 H new ATOM 0 HB2 ARG A 57 9.054 2.663 -1.425 1.00 0.00 H new ATOM 0 HB3 ARG A 57 9.076 2.994 0.296 1.00 0.00 H new ATOM 0 HG2 ARG A 57 9.346 5.088 -0.836 1.00 0.00 H new ATOM 0 HG3 ARG A 57 10.888 4.694 -0.101 1.00 0.00 H new ATOM 0 HD2 ARG A 57 11.379 3.572 -2.465 1.00 0.00 H new ATOM 0 HD3 ARG A 57 10.106 4.645 -3.011 1.00 0.00 H new ATOM 0 HE ARG A 57 11.867 6.234 -1.483 1.00 0.00 H new ATOM 0 HH11 ARG A 57 11.905 4.285 -4.419 1.00 0.00 H new ATOM 0 HH12 ARG A 57 13.175 5.246 -5.186 1.00 0.00 H new ATOM 0 HH21 ARG A 57 13.464 7.503 -2.484 1.00 0.00 H new ATOM 0 HH22 ARG A 57 14.058 7.067 -4.090 1.00 0.00 H new ATOM 899 N ARG A 58 11.271 2.389 1.914 1.00 0.00 N ATOM 900 CA ARG A 58 12.048 2.863 3.036 1.00 0.00 C ATOM 901 C ARG A 58 13.163 1.896 3.404 1.00 0.00 C ATOM 902 O ARG A 58 14.228 2.314 3.844 1.00 0.00 O ATOM 903 CB ARG A 58 11.131 3.110 4.224 1.00 0.00 C ATOM 904 CG ARG A 58 10.475 4.465 4.147 1.00 0.00 C ATOM 905 CD ARG A 58 9.113 4.394 3.495 1.00 0.00 C ATOM 906 NE ARG A 58 8.686 5.703 3.002 1.00 0.00 N ATOM 907 CZ ARG A 58 7.428 6.018 2.688 1.00 0.00 C ATOM 908 NH1 ARG A 58 6.465 5.108 2.761 1.00 0.00 N ATOM 909 NH2 ARG A 58 7.132 7.250 2.303 1.00 0.00 N ATOM 0 H ARG A 58 10.335 2.063 2.154 1.00 0.00 H new ATOM 0 HA ARG A 58 12.525 3.800 2.748 1.00 0.00 H new ATOM 0 HB2 ARG A 58 10.365 2.336 4.260 1.00 0.00 H new ATOM 0 HB3 ARG A 58 11.704 3.035 5.148 1.00 0.00 H new ATOM 0 HG2 ARG A 58 10.376 4.878 5.151 1.00 0.00 H new ATOM 0 HG3 ARG A 58 11.113 5.146 3.583 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.141 3.684 2.668 1.00 0.00 H new ATOM 0 HD3 ARG A 58 8.384 4.019 4.213 1.00 0.00 H new ATOM 0 HE ARG A 58 9.398 6.424 2.891 1.00 0.00 H new ATOM 0 HH11 ARG A 58 6.683 4.157 3.059 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.507 5.359 2.519 1.00 0.00 H new ATOM 0 HH21 ARG A 58 7.865 7.957 2.247 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.171 7.492 2.063 1.00 0.00 H new ATOM 923 N ASP A 59 12.932 0.606 3.201 1.00 0.00 N ATOM 924 CA ASP A 59 13.933 -0.394 3.544 1.00 0.00 C ATOM 925 C ASP A 59 15.051 -0.416 2.513 1.00 0.00 C ATOM 926 O ASP A 59 16.230 -0.406 2.867 1.00 0.00 O ATOM 927 CB ASP A 59 13.283 -1.770 3.690 1.00 0.00 C ATOM 928 CG ASP A 59 12.540 -1.897 5.007 1.00 0.00 C ATOM 929 OD1 ASP A 59 13.171 -1.649 6.066 1.00 0.00 O ATOM 930 OD2 ASP A 59 11.318 -2.182 4.993 1.00 0.00 O ATOM 0 H ASP A 59 12.070 0.231 2.805 1.00 0.00 H new ATOM 0 HA ASP A 59 14.376 -0.127 4.503 1.00 0.00 H new ATOM 0 HB2 ASP A 59 12.592 -1.937 2.864 1.00 0.00 H new ATOM 0 HB3 ASP A 59 14.048 -2.544 3.627 1.00 0.00 H new ATOM 935 N TYR A 60 14.684 -0.284 1.248 1.00 0.00 N ATOM 936 CA TYR A 60 15.666 -0.159 0.178 1.00 0.00 C ATOM 937 C TYR A 60 16.438 1.146 0.324 1.00 0.00 C ATOM 938 O TYR A 60 17.626 1.213 0.022 1.00 0.00 O ATOM 939 CB TYR A 60 14.964 -0.267 -1.174 1.00 0.00 C ATOM 940 CG TYR A 60 15.098 0.914 -2.101 1.00 0.00 C ATOM 941 CD1 TYR A 60 14.320 2.041 -1.923 1.00 0.00 C ATOM 942 CD2 TYR A 60 15.955 0.871 -3.188 1.00 0.00 C ATOM 943 CE1 TYR A 60 14.394 3.101 -2.790 1.00 0.00 C ATOM 944 CE2 TYR A 60 16.027 1.927 -4.074 1.00 0.00 C ATOM 945 CZ TYR A 60 15.241 3.042 -3.866 1.00 0.00 C ATOM 946 OH TYR A 60 15.292 4.097 -4.743 1.00 0.00 O ATOM 0 H TYR A 60 13.713 -0.260 0.935 1.00 0.00 H new ATOM 0 HA TYR A 60 16.392 -0.970 0.242 1.00 0.00 H new ATOM 0 HB2 TYR A 60 15.348 -1.148 -1.688 1.00 0.00 H new ATOM 0 HB3 TYR A 60 13.903 -0.440 -0.994 1.00 0.00 H new ATOM 0 HD1 TYR A 60 13.640 2.089 -1.085 1.00 0.00 H new ATOM 0 HD2 TYR A 60 16.575 0.000 -3.344 1.00 0.00 H new ATOM 0 HE1 TYR A 60 13.787 3.979 -2.626 1.00 0.00 H new ATOM 0 HE2 TYR A 60 16.693 1.881 -4.923 1.00 0.00 H new ATOM 0 HH TYR A 60 15.391 4.934 -4.243 1.00 0.00 H new ATOM 956 N LEU A 61 15.786 2.141 0.911 1.00 0.00 N ATOM 957 CA LEU A 61 16.431 3.417 1.187 1.00 0.00 C ATOM 958 C LEU A 61 17.309 3.336 2.433 1.00 0.00 C ATOM 959 O LEU A 61 17.961 4.309 2.802 1.00 0.00 O ATOM 960 CB LEU A 61 15.389 4.522 1.353 1.00 0.00 C ATOM 961 CG LEU A 61 15.581 5.743 0.449 1.00 0.00 C ATOM 962 CD1 LEU A 61 16.168 5.334 -0.897 1.00 0.00 C ATOM 963 CD2 LEU A 61 14.258 6.464 0.256 1.00 0.00 C ATOM 0 H LEU A 61 14.811 2.089 1.205 1.00 0.00 H new ATOM 0 HA LEU A 61 17.068 3.656 0.335 1.00 0.00 H new ATOM 0 HB2 LEU A 61 14.402 4.100 1.161 1.00 0.00 H new ATOM 0 HB3 LEU A 61 15.398 4.854 2.391 1.00 0.00 H new ATOM 0 HG LEU A 61 16.284 6.422 0.931 1.00 0.00 H new ATOM 0 HD11 LEU A 61 16.295 6.218 -1.522 1.00 0.00 H new ATOM 0 HD12 LEU A 61 17.136 4.857 -0.742 1.00 0.00 H new ATOM 0 HD13 LEU A 61 15.493 4.635 -1.391 1.00 0.00 H new ATOM 0 HD21 LEU A 61 14.406 7.330 -0.388 1.00 0.00 H new ATOM 0 HD22 LEU A 61 13.539 5.787 -0.206 1.00 0.00 H new ATOM 0 HD23 LEU A 61 13.878 6.792 1.223 1.00 0.00 H new ATOM 975 N ARG A 62 17.349 2.170 3.066 1.00 0.00 N ATOM 976 CA ARG A 62 18.195 1.976 4.231 1.00 0.00 C ATOM 977 C ARG A 62 19.417 1.140 3.879 1.00 0.00 C ATOM 978 O ARG A 62 20.545 1.502 4.209 1.00 0.00 O ATOM 979 CB ARG A 62 17.416 1.308 5.354 1.00 0.00 C ATOM 980 CG ARG A 62 17.131 2.241 6.514 1.00 0.00 C ATOM 981 CD ARG A 62 15.970 3.158 6.191 1.00 0.00 C ATOM 982 NE ARG A 62 16.397 4.406 5.566 1.00 0.00 N ATOM 983 CZ ARG A 62 15.559 5.376 5.204 1.00 0.00 C ATOM 984 NH1 ARG A 62 14.262 5.279 5.492 1.00 0.00 N ATOM 985 NH2 ARG A 62 16.019 6.448 4.572 1.00 0.00 N ATOM 0 H ARG A 62 16.808 1.350 2.792 1.00 0.00 H new ATOM 0 HA ARG A 62 18.529 2.957 4.569 1.00 0.00 H new ATOM 0 HB2 ARG A 62 16.473 0.929 4.959 1.00 0.00 H new ATOM 0 HB3 ARG A 62 17.978 0.447 5.717 1.00 0.00 H new ATOM 0 HG2 ARG A 62 16.904 1.659 7.407 1.00 0.00 H new ATOM 0 HG3 ARG A 62 18.018 2.834 6.737 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.278 2.641 5.526 1.00 0.00 H new ATOM 0 HD3 ARG A 62 15.424 3.383 7.107 1.00 0.00 H new ATOM 0 HE ARG A 62 17.393 4.543 5.397 1.00 0.00 H new ATOM 0 HH11 ARG A 62 13.910 4.461 5.990 1.00 0.00 H new ATOM 0 HH12 ARG A 62 13.621 6.022 5.214 1.00 0.00 H new ATOM 0 HH21 ARG A 62 17.014 6.529 4.363 1.00 0.00 H new ATOM 0 HH22 ARG A 62 15.377 7.191 4.295 1.00 0.00 H new ATOM 999 N LEU A 63 19.189 0.026 3.195 1.00 0.00 N ATOM 1000 CA LEU A 63 20.279 -0.867 2.807 1.00 0.00 C ATOM 1001 C LEU A 63 20.941 -0.374 1.533 1.00 0.00 C ATOM 1002 O LEU A 63 22.162 -0.420 1.400 1.00 0.00 O ATOM 1003 CB LEU A 63 19.783 -2.300 2.620 1.00 0.00 C ATOM 1004 CG LEU A 63 18.459 -2.448 1.880 1.00 0.00 C ATOM 1005 CD1 LEU A 63 18.679 -3.089 0.521 1.00 0.00 C ATOM 1006 CD2 LEU A 63 17.495 -3.269 2.710 1.00 0.00 C ATOM 0 H LEU A 63 18.263 -0.282 2.897 1.00 0.00 H new ATOM 0 HA LEU A 63 21.013 -0.865 3.613 1.00 0.00 H new ATOM 0 HB2 LEU A 63 20.545 -2.862 2.080 1.00 0.00 H new ATOM 0 HB3 LEU A 63 19.683 -2.762 3.602 1.00 0.00 H new ATOM 0 HG LEU A 63 18.029 -1.459 1.722 1.00 0.00 H new ATOM 0 HD11 LEU A 63 17.723 -3.187 0.006 1.00 0.00 H new ATOM 0 HD12 LEU A 63 19.348 -2.465 -0.072 1.00 0.00 H new ATOM 0 HD13 LEU A 63 19.124 -4.076 0.652 1.00 0.00 H new ATOM 0 HD21 LEU A 63 16.550 -3.371 2.176 1.00 0.00 H new ATOM 0 HD22 LEU A 63 17.919 -4.257 2.889 1.00 0.00 H new ATOM 0 HD23 LEU A 63 17.320 -2.771 3.664 1.00 0.00 H new ATOM 1018 N GLY A 64 20.133 0.183 0.643 1.00 0.00 N ATOM 1019 CA GLY A 64 20.660 0.800 -0.555 1.00 0.00 C ATOM 1020 C GLY A 64 20.860 2.278 -0.334 1.00 0.00 C ATOM 1021 O GLY A 64 21.711 2.907 -0.951 1.00 0.00 O ATOM 0 H GLY A 64 19.117 0.218 0.731 1.00 0.00 H new ATOM 0 HA2 GLY A 64 21.607 0.334 -0.826 1.00 0.00 H new ATOM 0 HA3 GLY A 64 19.975 0.639 -1.388 1.00 0.00 H new ATOM 1025 N GLY A 65 20.159 2.796 0.661 1.00 0.00 N ATOM 1026 CA GLY A 65 20.330 4.170 1.073 1.00 0.00 C ATOM 1027 C GLY A 65 21.425 4.301 2.116 1.00 0.00 C ATOM 1028 O GLY A 65 21.253 4.958 3.146 1.00 0.00 O ATOM 0 H GLY A 65 19.463 2.278 1.198 1.00 0.00 H new ATOM 0 HA2 GLY A 65 20.575 4.784 0.206 1.00 0.00 H new ATOM 0 HA3 GLY A 65 19.392 4.550 1.478 1.00 0.00 H new ATOM 1032 N SER A 66 22.501 3.563 1.886 1.00 0.00 N ATOM 1033 CA SER A 66 23.610 3.435 2.827 1.00 0.00 C ATOM 1034 C SER A 66 24.355 4.751 3.055 1.00 0.00 C ATOM 1035 O SER A 66 25.213 4.838 3.937 1.00 0.00 O ATOM 1036 CB SER A 66 24.577 2.390 2.288 1.00 0.00 C ATOM 1037 OG SER A 66 24.064 1.810 1.097 1.00 0.00 O ATOM 0 H SER A 66 22.633 3.027 1.028 1.00 0.00 H new ATOM 0 HA SER A 66 23.198 3.138 3.791 1.00 0.00 H new ATOM 0 HB2 SER A 66 25.545 2.849 2.089 1.00 0.00 H new ATOM 0 HB3 SER A 66 24.740 1.615 3.037 1.00 0.00 H new ATOM 0 HG SER A 66 23.460 1.073 1.326 1.00 0.00 H new ATOM 1043 N GLY A 67 24.073 5.751 2.232 1.00 0.00 N ATOM 1044 CA GLY A 67 24.763 7.018 2.343 1.00 0.00 C ATOM 1045 C GLY A 67 24.270 7.851 3.509 1.00 0.00 C ATOM 1046 O GLY A 67 24.996 8.703 4.021 1.00 0.00 O ATOM 0 H GLY A 67 23.377 5.706 1.488 1.00 0.00 H new ATOM 0 HA2 GLY A 67 25.832 6.836 2.457 1.00 0.00 H new ATOM 0 HA3 GLY A 67 24.632 7.581 1.419 1.00 0.00 H new ATOM 1050 N GLY A 68 23.033 7.612 3.928 1.00 0.00 N ATOM 1051 CA GLY A 68 22.465 8.358 5.039 1.00 0.00 C ATOM 1052 C GLY A 68 21.819 9.656 4.590 1.00 0.00 C ATOM 1053 O GLY A 68 21.008 10.247 5.305 1.00 0.00 O ATOM 0 H GLY A 68 22.411 6.915 3.519 1.00 0.00 H new ATOM 0 HA2 GLY A 68 21.723 7.742 5.546 1.00 0.00 H new ATOM 0 HA3 GLY A 68 23.248 8.576 5.765 1.00 0.00 H new ATOM 1057 N HIS A 69 22.160 10.080 3.384 1.00 0.00 N ATOM 1058 CA HIS A 69 21.589 11.281 2.798 1.00 0.00 C ATOM 1059 C HIS A 69 20.312 10.923 2.037 1.00 0.00 C ATOM 1060 O HIS A 69 19.504 10.133 2.531 1.00 0.00 O ATOM 1061 CB HIS A 69 22.618 11.947 1.881 1.00 0.00 C ATOM 1062 CG HIS A 69 22.761 13.417 2.113 1.00 0.00 C ATOM 1063 ND1 HIS A 69 23.756 13.918 2.915 1.00 0.00 N ATOM 1064 CD2 HIS A 69 22.020 14.441 1.633 1.00 0.00 C ATOM 1065 CE1 HIS A 69 23.600 15.230 2.903 1.00 0.00 C ATOM 1066 NE2 HIS A 69 22.562 15.594 2.140 1.00 0.00 N ATOM 0 H HIS A 69 22.836 9.604 2.787 1.00 0.00 H new ATOM 0 HA HIS A 69 21.328 11.990 3.584 1.00 0.00 H new ATOM 0 HB2 HIS A 69 23.586 11.468 2.027 1.00 0.00 H new ATOM 0 HB3 HIS A 69 22.332 11.777 0.843 1.00 0.00 H new ATOM 0 HD2 HIS A 69 21.166 14.365 0.977 1.00 0.00 H new ATOM 0 HE1 HIS A 69 24.231 15.922 3.441 1.00 0.00 H new ATOM 0 HE2 HIS A 69 22.237 16.546 1.969 1.00 0.00 H new ATOM 1074 N MET A 70 20.169 11.424 0.811 1.00 0.00 N ATOM 1075 CA MET A 70 19.026 11.072 -0.025 1.00 0.00 C ATOM 1076 C MET A 70 19.087 9.594 -0.385 1.00 0.00 C ATOM 1077 O MET A 70 18.061 8.928 -0.521 1.00 0.00 O ATOM 1078 CB MET A 70 19.009 11.911 -1.303 1.00 0.00 C ATOM 1079 CG MET A 70 18.506 13.326 -1.096 1.00 0.00 C ATOM 1080 SD MET A 70 17.071 13.712 -2.118 1.00 0.00 S ATOM 1081 CE MET A 70 16.101 14.688 -0.969 1.00 0.00 C ATOM 0 H MET A 70 20.827 12.071 0.378 1.00 0.00 H new ATOM 0 HA MET A 70 18.114 11.275 0.536 1.00 0.00 H new ATOM 0 HB2 MET A 70 20.017 11.950 -1.715 1.00 0.00 H new ATOM 0 HB3 MET A 70 18.381 11.416 -2.044 1.00 0.00 H new ATOM 0 HG2 MET A 70 18.247 13.465 -0.046 1.00 0.00 H new ATOM 0 HG3 MET A 70 19.308 14.029 -1.323 1.00 0.00 H new ATOM 0 HE1 MET A 70 15.176 15.005 -1.451 1.00 0.00 H new ATOM 0 HE2 MET A 70 15.865 14.087 -0.091 1.00 0.00 H new ATOM 0 HE3 MET A 70 16.671 15.566 -0.665 1.00 0.00 H new ATOM 1091 N GLY A 71 20.305 9.084 -0.471 1.00 0.00 N ATOM 1092 CA GLY A 71 20.520 7.681 -0.734 1.00 0.00 C ATOM 1093 C GLY A 71 21.995 7.358 -0.761 1.00 0.00 C ATOM 1094 O GLY A 71 22.507 6.714 0.151 1.00 0.00 O ATOM 0 H GLY A 71 21.160 9.629 -0.361 1.00 0.00 H new ATOM 0 HA2 GLY A 71 20.027 7.083 0.033 1.00 0.00 H new ATOM 0 HA3 GLY A 71 20.067 7.412 -1.688 1.00 0.00 H new ATOM 1098 N SER A 72 22.685 7.951 -1.738 1.00 0.00 N ATOM 1099 CA SER A 72 24.144 7.878 -1.864 1.00 0.00 C ATOM 1100 C SER A 72 24.709 6.484 -1.571 1.00 0.00 C ATOM 1101 O SER A 72 25.577 6.328 -0.712 1.00 0.00 O ATOM 1102 CB SER A 72 24.791 8.914 -0.936 1.00 0.00 C ATOM 1103 OG SER A 72 23.824 9.823 -0.429 1.00 0.00 O ATOM 0 H SER A 72 22.242 8.502 -2.473 1.00 0.00 H new ATOM 0 HA SER A 72 24.385 8.096 -2.904 1.00 0.00 H new ATOM 0 HB2 SER A 72 25.286 8.406 -0.108 1.00 0.00 H new ATOM 0 HB3 SER A 72 25.560 9.463 -1.479 1.00 0.00 H new ATOM 0 HG SER A 72 24.262 10.471 0.161 1.00 0.00 H new ATOM 1109 N GLY A 73 24.252 5.479 -2.312 1.00 0.00 N ATOM 1110 CA GLY A 73 24.762 4.136 -2.117 1.00 0.00 C ATOM 1111 C GLY A 73 23.980 3.104 -2.895 1.00 0.00 C ATOM 1112 O GLY A 73 23.236 3.443 -3.813 1.00 0.00 O ATOM 0 H GLY A 73 23.542 5.570 -3.039 1.00 0.00 H new ATOM 0 HA2 GLY A 73 25.808 4.100 -2.421 1.00 0.00 H new ATOM 0 HA3 GLY A 73 24.729 3.889 -1.056 1.00 0.00 H new ATOM 1116 N GLY A 74 24.130 1.846 -2.514 1.00 0.00 N ATOM 1117 CA GLY A 74 23.399 0.786 -3.167 1.00 0.00 C ATOM 1118 C GLY A 74 24.067 0.325 -4.443 1.00 0.00 C ATOM 1119 O GLY A 74 23.849 0.901 -5.512 1.00 0.00 O ATOM 0 H GLY A 74 24.747 1.541 -1.762 1.00 0.00 H new ATOM 0 HA2 GLY A 74 23.303 -0.059 -2.485 1.00 0.00 H new ATOM 0 HA3 GLY A 74 22.390 1.130 -3.393 1.00 0.00 H new ATOM 1123 N ASP A 75 24.833 -0.750 -4.345 1.00 0.00 N ATOM 1124 CA ASP A 75 25.464 -1.348 -5.511 1.00 0.00 C ATOM 1125 C ASP A 75 24.595 -2.488 -6.021 1.00 0.00 C ATOM 1126 O ASP A 75 24.502 -3.542 -5.386 1.00 0.00 O ATOM 1127 CB ASP A 75 26.866 -1.860 -5.162 1.00 0.00 C ATOM 1128 CG ASP A 75 27.521 -2.606 -6.307 1.00 0.00 C ATOM 1129 OD1 ASP A 75 28.054 -1.951 -7.227 1.00 0.00 O ATOM 1130 OD2 ASP A 75 27.521 -3.853 -6.286 1.00 0.00 O ATOM 0 H ASP A 75 25.033 -1.228 -3.466 1.00 0.00 H new ATOM 0 HA ASP A 75 25.565 -0.593 -6.291 1.00 0.00 H new ATOM 0 HB2 ASP A 75 27.495 -1.017 -4.877 1.00 0.00 H new ATOM 0 HB3 ASP A 75 26.802 -2.518 -4.295 1.00 0.00 H new ATOM 1135 N VAL A 76 23.854 -2.223 -7.082 1.00 0.00 N ATOM 1136 CA VAL A 76 22.897 -3.179 -7.601 1.00 0.00 C ATOM 1137 C VAL A 76 23.028 -3.296 -9.110 1.00 0.00 C ATOM 1138 O VAL A 76 23.656 -2.457 -9.750 1.00 0.00 O ATOM 1139 CB VAL A 76 21.447 -2.776 -7.259 1.00 0.00 C ATOM 1140 CG1 VAL A 76 20.834 -3.766 -6.282 1.00 0.00 C ATOM 1141 CG2 VAL A 76 21.378 -1.360 -6.701 1.00 0.00 C ATOM 0 H VAL A 76 23.899 -1.347 -7.603 1.00 0.00 H new ATOM 0 HA VAL A 76 23.116 -4.138 -7.131 1.00 0.00 H new ATOM 0 HB VAL A 76 20.870 -2.796 -8.184 1.00 0.00 H new ATOM 0 HG11 VAL A 76 19.812 -3.465 -6.053 1.00 0.00 H new ATOM 0 HG12 VAL A 76 20.828 -4.761 -6.727 1.00 0.00 H new ATOM 0 HG13 VAL A 76 21.422 -3.783 -5.364 1.00 0.00 H new ATOM 0 HG21 VAL A 76 20.342 -1.110 -6.471 1.00 0.00 H new ATOM 0 HG22 VAL A 76 21.977 -1.297 -5.792 1.00 0.00 H new ATOM 0 HG23 VAL A 76 21.766 -0.659 -7.440 1.00 0.00 H new ATOM 1151 N MET A 77 22.449 -4.346 -9.671 1.00 0.00 N ATOM 1152 CA MET A 77 22.502 -4.565 -11.107 1.00 0.00 C ATOM 1153 C MET A 77 21.790 -3.445 -11.856 1.00 0.00 C ATOM 1154 O MET A 77 20.821 -2.869 -11.360 1.00 0.00 O ATOM 1155 CB MET A 77 21.882 -5.909 -11.463 1.00 0.00 C ATOM 1156 CG MET A 77 22.656 -7.079 -10.899 1.00 0.00 C ATOM 1157 SD MET A 77 22.232 -8.644 -11.689 1.00 0.00 S ATOM 1158 CE MET A 77 22.230 -9.739 -10.272 1.00 0.00 C ATOM 0 H MET A 77 21.937 -5.060 -9.153 1.00 0.00 H new ATOM 0 HA MET A 77 23.549 -4.568 -11.409 1.00 0.00 H new ATOM 0 HB2 MET A 77 20.859 -5.942 -11.089 1.00 0.00 H new ATOM 0 HB3 MET A 77 21.829 -6.003 -12.548 1.00 0.00 H new ATOM 0 HG2 MET A 77 23.723 -6.894 -11.019 1.00 0.00 H new ATOM 0 HG3 MET A 77 22.464 -7.154 -9.829 1.00 0.00 H new ATOM 0 HE1 MET A 77 21.984 -10.751 -10.594 1.00 0.00 H new ATOM 0 HE2 MET A 77 23.216 -9.736 -9.808 1.00 0.00 H new ATOM 0 HE3 MET A 77 21.488 -9.398 -9.550 1.00 0.00 H new ATOM 1168 N VAL A 78 22.264 -3.156 -13.055 1.00 0.00 N ATOM 1169 CA VAL A 78 21.663 -2.125 -13.884 1.00 0.00 C ATOM 1170 C VAL A 78 20.423 -2.670 -14.579 1.00 0.00 C ATOM 1171 O VAL A 78 20.522 -3.446 -15.531 1.00 0.00 O ATOM 1172 CB VAL A 78 22.648 -1.595 -14.947 1.00 0.00 C ATOM 1173 CG1 VAL A 78 22.199 -0.234 -15.456 1.00 0.00 C ATOM 1174 CG2 VAL A 78 24.061 -1.523 -14.388 1.00 0.00 C ATOM 0 H VAL A 78 23.066 -3.623 -13.478 1.00 0.00 H new ATOM 0 HA VAL A 78 21.392 -1.298 -13.228 1.00 0.00 H new ATOM 0 HB VAL A 78 22.653 -2.291 -15.786 1.00 0.00 H new ATOM 0 HG11 VAL A 78 22.905 0.125 -16.205 1.00 0.00 H new ATOM 0 HG12 VAL A 78 21.209 -0.321 -15.903 1.00 0.00 H new ATOM 0 HG13 VAL A 78 22.161 0.471 -14.625 1.00 0.00 H new ATOM 0 HG21 VAL A 78 24.737 -1.147 -15.156 1.00 0.00 H new ATOM 0 HG22 VAL A 78 24.079 -0.853 -13.529 1.00 0.00 H new ATOM 0 HG23 VAL A 78 24.381 -2.518 -14.079 1.00 0.00 H new ATOM 1184 N VAL A 79 19.259 -2.303 -14.074 1.00 0.00 N ATOM 1185 CA VAL A 79 18.005 -2.778 -14.642 1.00 0.00 C ATOM 1186 C VAL A 79 17.260 -1.638 -15.323 1.00 0.00 C ATOM 1187 O VAL A 79 16.673 -1.815 -16.390 1.00 0.00 O ATOM 1188 CB VAL A 79 17.092 -3.412 -13.573 1.00 0.00 C ATOM 1189 CG1 VAL A 79 16.005 -4.252 -14.224 1.00 0.00 C ATOM 1190 CG2 VAL A 79 17.899 -4.251 -12.596 1.00 0.00 C ATOM 0 H VAL A 79 19.153 -1.679 -13.274 1.00 0.00 H new ATOM 0 HA VAL A 79 18.259 -3.543 -15.375 1.00 0.00 H new ATOM 0 HB VAL A 79 16.617 -2.605 -13.016 1.00 0.00 H new ATOM 0 HG11 VAL A 79 15.372 -4.690 -13.452 1.00 0.00 H new ATOM 0 HG12 VAL A 79 15.399 -3.622 -14.875 1.00 0.00 H new ATOM 0 HG13 VAL A 79 16.463 -5.047 -14.812 1.00 0.00 H new ATOM 0 HG21 VAL A 79 17.231 -4.687 -11.853 1.00 0.00 H new ATOM 0 HG22 VAL A 79 18.410 -5.048 -13.136 1.00 0.00 H new ATOM 0 HG23 VAL A 79 18.635 -3.621 -12.097 1.00 0.00 H new ATOM 1200 N GLY A 80 17.323 -0.459 -14.722 1.00 0.00 N ATOM 1201 CA GLY A 80 16.668 0.700 -15.294 1.00 0.00 C ATOM 1202 C GLY A 80 16.549 1.822 -14.291 1.00 0.00 C ATOM 1203 O GLY A 80 15.466 2.380 -14.099 1.00 0.00 O ATOM 0 H GLY A 80 17.817 -0.284 -13.847 1.00 0.00 H new ATOM 0 HA2 GLY A 80 17.230 1.045 -16.162 1.00 0.00 H new ATOM 0 HA3 GLY A 80 15.676 0.420 -15.648 1.00 0.00 H new ATOM 1207 N GLU A 81 17.642 2.063 -13.576 1.00 0.00 N ATOM 1208 CA GLU A 81 17.684 3.037 -12.493 1.00 0.00 C ATOM 1209 C GLU A 81 17.449 4.455 -13.009 1.00 0.00 C ATOM 1210 O GLU A 81 18.269 4.994 -13.752 1.00 0.00 O ATOM 1211 CB GLU A 81 19.043 2.963 -11.794 1.00 0.00 C ATOM 1212 CG GLU A 81 19.167 1.832 -10.782 1.00 0.00 C ATOM 1213 CD GLU A 81 18.702 0.489 -11.311 1.00 0.00 C ATOM 1214 OE1 GLU A 81 19.172 0.064 -12.391 1.00 0.00 O ATOM 1215 OE2 GLU A 81 17.873 -0.152 -10.636 1.00 0.00 O ATOM 0 H GLU A 81 18.529 1.585 -13.733 1.00 0.00 H new ATOM 0 HA GLU A 81 16.888 2.798 -11.788 1.00 0.00 H new ATOM 0 HB2 GLU A 81 19.821 2.846 -12.549 1.00 0.00 H new ATOM 0 HB3 GLU A 81 19.230 3.910 -11.288 1.00 0.00 H new ATOM 0 HG2 GLU A 81 20.208 1.749 -10.469 1.00 0.00 H new ATOM 0 HG3 GLU A 81 18.586 2.084 -9.895 1.00 0.00 H new ATOM 1222 N PRO A 82 16.306 5.059 -12.654 1.00 0.00 N ATOM 1223 CA PRO A 82 15.945 6.407 -13.086 1.00 0.00 C ATOM 1224 C PRO A 82 16.658 7.485 -12.270 1.00 0.00 C ATOM 1225 O PRO A 82 17.625 8.097 -12.731 1.00 0.00 O ATOM 1226 CB PRO A 82 14.424 6.474 -12.852 1.00 0.00 C ATOM 1227 CG PRO A 82 14.014 5.103 -12.419 1.00 0.00 C ATOM 1228 CD PRO A 82 15.244 4.463 -11.845 1.00 0.00 C ATOM 0 HA PRO A 82 16.234 6.590 -14.121 1.00 0.00 H new ATOM 0 HB2 PRO A 82 14.178 7.214 -12.090 1.00 0.00 H new ATOM 0 HB3 PRO A 82 13.902 6.768 -13.762 1.00 0.00 H new ATOM 0 HG2 PRO A 82 13.217 5.151 -11.677 1.00 0.00 H new ATOM 0 HG3 PRO A 82 13.631 4.526 -13.261 1.00 0.00 H new ATOM 0 HD2 PRO A 82 15.364 4.688 -10.785 1.00 0.00 H new ATOM 0 HD3 PRO A 82 15.220 3.377 -11.939 1.00 0.00 H new ATOM 1236 N THR A 83 16.133 7.754 -11.087 1.00 0.00 N ATOM 1237 CA THR A 83 16.653 8.800 -10.225 1.00 0.00 C ATOM 1238 C THR A 83 17.845 8.317 -9.398 1.00 0.00 C ATOM 1239 O THR A 83 17.680 7.639 -8.381 1.00 0.00 O ATOM 1240 CB THR A 83 15.546 9.302 -9.286 1.00 0.00 C ATOM 1241 OG1 THR A 83 14.331 8.580 -9.545 1.00 0.00 O ATOM 1242 CG2 THR A 83 15.305 10.786 -9.487 1.00 0.00 C ATOM 0 H THR A 83 15.334 7.253 -10.698 1.00 0.00 H new ATOM 0 HA THR A 83 16.996 9.613 -10.865 1.00 0.00 H new ATOM 0 HB THR A 83 15.862 9.136 -8.256 1.00 0.00 H new ATOM 0 HG1 THR A 83 14.367 7.708 -9.098 1.00 0.00 H new ATOM 0 HG21 THR A 83 14.517 11.121 -8.812 1.00 0.00 H new ATOM 0 HG22 THR A 83 16.222 11.336 -9.275 1.00 0.00 H new ATOM 0 HG23 THR A 83 15.002 10.969 -10.518 1.00 0.00 H new ATOM 1250 N LEU A 84 19.045 8.681 -9.831 1.00 0.00 N ATOM 1251 CA LEU A 84 20.260 8.320 -9.115 1.00 0.00 C ATOM 1252 C LEU A 84 20.635 9.417 -8.126 1.00 0.00 C ATOM 1253 O LEU A 84 20.852 10.568 -8.510 1.00 0.00 O ATOM 1254 CB LEU A 84 21.409 8.074 -10.096 1.00 0.00 C ATOM 1255 CG LEU A 84 21.069 7.153 -11.268 1.00 0.00 C ATOM 1256 CD1 LEU A 84 21.907 7.508 -12.482 1.00 0.00 C ATOM 1257 CD2 LEU A 84 21.274 5.698 -10.881 1.00 0.00 C ATOM 0 H LEU A 84 19.202 9.228 -10.678 1.00 0.00 H new ATOM 0 HA LEU A 84 20.075 7.399 -8.563 1.00 0.00 H new ATOM 0 HB2 LEU A 84 21.741 9.034 -10.492 1.00 0.00 H new ATOM 0 HB3 LEU A 84 22.249 7.647 -9.549 1.00 0.00 H new ATOM 0 HG LEU A 84 20.019 7.293 -11.523 1.00 0.00 H new ATOM 0 HD11 LEU A 84 21.652 6.843 -13.307 1.00 0.00 H new ATOM 0 HD12 LEU A 84 21.708 8.539 -12.773 1.00 0.00 H new ATOM 0 HD13 LEU A 84 22.964 7.397 -12.240 1.00 0.00 H new ATOM 0 HD21 LEU A 84 21.027 5.058 -11.728 1.00 0.00 H new ATOM 0 HD22 LEU A 84 22.315 5.540 -10.598 1.00 0.00 H new ATOM 0 HD23 LEU A 84 20.628 5.451 -10.039 1.00 0.00 H new ATOM 1269 N MET A 85 20.588 9.080 -6.847 1.00 0.00 N ATOM 1270 CA MET A 85 20.812 10.040 -5.781 1.00 0.00 C ATOM 1271 C MET A 85 22.183 9.826 -5.139 1.00 0.00 C ATOM 1272 O MET A 85 22.317 9.834 -3.915 1.00 0.00 O ATOM 1273 CB MET A 85 19.707 9.895 -4.741 1.00 0.00 C ATOM 1274 CG MET A 85 18.746 11.071 -4.692 1.00 0.00 C ATOM 1275 SD MET A 85 17.020 10.548 -4.750 1.00 0.00 S ATOM 1276 CE MET A 85 16.349 11.740 -5.908 1.00 0.00 C ATOM 0 H MET A 85 20.394 8.134 -6.520 1.00 0.00 H new ATOM 0 HA MET A 85 20.792 11.048 -6.195 1.00 0.00 H new ATOM 0 HB2 MET A 85 19.143 8.986 -4.950 1.00 0.00 H new ATOM 0 HB3 MET A 85 20.161 9.769 -3.758 1.00 0.00 H new ATOM 0 HG2 MET A 85 18.920 11.642 -3.780 1.00 0.00 H new ATOM 0 HG3 MET A 85 18.949 11.739 -5.529 1.00 0.00 H new ATOM 0 HE1 MET A 85 15.285 11.549 -6.051 1.00 0.00 H new ATOM 0 HE2 MET A 85 16.488 12.747 -5.515 1.00 0.00 H new ATOM 0 HE3 MET A 85 16.865 11.649 -6.864 1.00 0.00 H new ATOM 1286 N GLY A 86 23.159 9.459 -5.959 1.00 0.00 N ATOM 1287 CA GLY A 86 24.474 9.114 -5.447 1.00 0.00 C ATOM 1288 C GLY A 86 24.765 7.643 -5.639 1.00 0.00 C ATOM 1289 O GLY A 86 25.897 7.242 -5.905 1.00 0.00 O ATOM 0 H GLY A 86 23.065 9.393 -6.973 1.00 0.00 H new ATOM 0 HA2 GLY A 86 25.233 9.707 -5.957 1.00 0.00 H new ATOM 0 HA3 GLY A 86 24.532 9.364 -4.388 1.00 0.00 H new ATOM 1293 N GLY A 87 23.709 6.854 -5.601 1.00 0.00 N ATOM 1294 CA GLY A 87 23.816 5.438 -5.873 1.00 0.00 C ATOM 1295 C GLY A 87 22.792 5.003 -6.899 1.00 0.00 C ATOM 1296 O GLY A 87 22.263 5.839 -7.635 1.00 0.00 O ATOM 0 H GLY A 87 22.765 7.173 -5.383 1.00 0.00 H new ATOM 0 HA2 GLY A 87 24.818 5.208 -6.235 1.00 0.00 H new ATOM 0 HA3 GLY A 87 23.673 4.875 -4.951 1.00 0.00 H new ATOM 1300 N GLU A 88 22.524 3.708 -6.976 1.00 0.00 N ATOM 1301 CA GLU A 88 21.624 3.190 -7.989 1.00 0.00 C ATOM 1302 C GLU A 88 20.241 2.873 -7.419 1.00 0.00 C ATOM 1303 O GLU A 88 19.939 1.736 -7.049 1.00 0.00 O ATOM 1304 CB GLU A 88 22.254 1.960 -8.647 1.00 0.00 C ATOM 1305 CG GLU A 88 23.710 2.187 -9.024 1.00 0.00 C ATOM 1306 CD GLU A 88 24.430 0.924 -9.448 1.00 0.00 C ATOM 1307 OE1 GLU A 88 24.649 0.043 -8.593 1.00 0.00 O ATOM 1308 OE2 GLU A 88 24.822 0.831 -10.633 1.00 0.00 O ATOM 0 H GLU A 88 22.915 3.002 -6.352 1.00 0.00 H new ATOM 0 HA GLU A 88 21.474 3.961 -8.745 1.00 0.00 H new ATOM 0 HB2 GLU A 88 22.186 1.112 -7.966 1.00 0.00 H new ATOM 0 HB3 GLU A 88 21.687 1.698 -9.540 1.00 0.00 H new ATOM 0 HG2 GLU A 88 23.758 2.912 -9.836 1.00 0.00 H new ATOM 0 HG3 GLU A 88 24.233 2.625 -8.174 1.00 0.00 H new ATOM 1315 N PHE A 89 19.413 3.904 -7.338 1.00 0.00 N ATOM 1316 CA PHE A 89 18.073 3.787 -6.778 1.00 0.00 C ATOM 1317 C PHE A 89 17.008 3.744 -7.861 1.00 0.00 C ATOM 1318 O PHE A 89 17.311 3.688 -9.050 1.00 0.00 O ATOM 1319 CB PHE A 89 17.809 4.966 -5.852 1.00 0.00 C ATOM 1320 CG PHE A 89 18.972 5.256 -4.979 1.00 0.00 C ATOM 1321 CD1 PHE A 89 19.282 4.419 -3.925 1.00 0.00 C ATOM 1322 CD2 PHE A 89 19.788 6.331 -5.248 1.00 0.00 C ATOM 1323 CE1 PHE A 89 20.394 4.650 -3.157 1.00 0.00 C ATOM 1324 CE2 PHE A 89 20.893 6.576 -4.476 1.00 0.00 C ATOM 1325 CZ PHE A 89 21.200 5.731 -3.435 1.00 0.00 C ATOM 0 H PHE A 89 19.649 4.843 -7.657 1.00 0.00 H new ATOM 0 HA PHE A 89 18.022 2.850 -6.224 1.00 0.00 H new ATOM 0 HB2 PHE A 89 17.573 5.848 -6.447 1.00 0.00 H new ATOM 0 HB3 PHE A 89 16.936 4.754 -5.235 1.00 0.00 H new ATOM 0 HD1 PHE A 89 18.644 3.576 -3.704 1.00 0.00 H new ATOM 0 HD2 PHE A 89 19.556 6.987 -6.074 1.00 0.00 H new ATOM 0 HE1 PHE A 89 20.636 3.988 -2.339 1.00 0.00 H new ATOM 0 HE2 PHE A 89 21.521 7.430 -4.684 1.00 0.00 H new ATOM 0 HZ PHE A 89 22.077 5.916 -2.833 1.00 0.00 H new ATOM 1335 N GLY A 90 15.756 3.778 -7.437 1.00 0.00 N ATOM 1336 CA GLY A 90 14.658 3.760 -8.369 1.00 0.00 C ATOM 1337 C GLY A 90 13.993 5.110 -8.486 1.00 0.00 C ATOM 1338 O GLY A 90 14.449 5.972 -9.234 1.00 0.00 O ATOM 0 H GLY A 90 15.482 3.818 -6.455 1.00 0.00 H new ATOM 0 HA2 GLY A 90 15.019 3.448 -9.349 1.00 0.00 H new ATOM 0 HA3 GLY A 90 13.924 3.021 -8.050 1.00 0.00 H new ATOM 1342 N ASP A 91 12.872 5.269 -7.807 1.00 0.00 N ATOM 1343 CA ASP A 91 12.069 6.465 -7.925 1.00 0.00 C ATOM 1344 C ASP A 91 12.174 7.324 -6.671 1.00 0.00 C ATOM 1345 O ASP A 91 13.270 7.690 -6.240 1.00 0.00 O ATOM 1346 CB ASP A 91 10.614 6.057 -8.184 1.00 0.00 C ATOM 1347 CG ASP A 91 10.163 4.959 -7.249 1.00 0.00 C ATOM 1348 OD1 ASP A 91 10.544 3.787 -7.469 1.00 0.00 O ATOM 1349 OD2 ASP A 91 9.464 5.269 -6.273 1.00 0.00 O ATOM 0 H ASP A 91 12.496 4.574 -7.162 1.00 0.00 H new ATOM 0 HA ASP A 91 12.436 7.065 -8.758 1.00 0.00 H new ATOM 0 HB2 ASP A 91 9.966 6.925 -8.064 1.00 0.00 H new ATOM 0 HB3 ASP A 91 10.509 5.722 -9.216 1.00 0.00 H new ATOM 1354 N GLU A 92 11.029 7.551 -6.054 1.00 0.00 N ATOM 1355 CA GLU A 92 10.911 8.324 -4.826 1.00 0.00 C ATOM 1356 C GLU A 92 9.684 7.857 -4.057 1.00 0.00 C ATOM 1357 O GLU A 92 9.752 7.541 -2.868 1.00 0.00 O ATOM 1358 CB GLU A 92 10.768 9.815 -5.138 1.00 0.00 C ATOM 1359 CG GLU A 92 12.058 10.472 -5.578 1.00 0.00 C ATOM 1360 CD GLU A 92 12.609 11.425 -4.537 1.00 0.00 C ATOM 1361 OE1 GLU A 92 12.536 11.105 -3.331 1.00 0.00 O ATOM 1362 OE2 GLU A 92 13.111 12.503 -4.917 1.00 0.00 O ATOM 0 H GLU A 92 10.136 7.197 -6.397 1.00 0.00 H new ATOM 0 HA GLU A 92 11.811 8.174 -4.230 1.00 0.00 H new ATOM 0 HB2 GLU A 92 10.020 9.943 -5.921 1.00 0.00 H new ATOM 0 HB3 GLU A 92 10.393 10.328 -4.252 1.00 0.00 H new ATOM 0 HG2 GLU A 92 12.800 9.702 -5.790 1.00 0.00 H new ATOM 0 HG3 GLU A 92 11.887 11.014 -6.508 1.00 0.00 H new ATOM 1369 N ASP A 93 8.568 7.801 -4.766 1.00 0.00 N ATOM 1370 CA ASP A 93 7.316 7.317 -4.207 1.00 0.00 C ATOM 1371 C ASP A 93 6.538 6.514 -5.250 1.00 0.00 C ATOM 1372 O ASP A 93 5.806 5.588 -4.902 1.00 0.00 O ATOM 1373 CB ASP A 93 6.477 8.485 -3.657 1.00 0.00 C ATOM 1374 CG ASP A 93 5.369 8.946 -4.590 1.00 0.00 C ATOM 1375 OD1 ASP A 93 5.681 9.570 -5.629 1.00 0.00 O ATOM 1376 OD2 ASP A 93 4.181 8.735 -4.265 1.00 0.00 O ATOM 0 H ASP A 93 8.504 8.089 -5.742 1.00 0.00 H new ATOM 0 HA ASP A 93 7.542 6.652 -3.374 1.00 0.00 H new ATOM 0 HB2 ASP A 93 6.036 8.185 -2.706 1.00 0.00 H new ATOM 0 HB3 ASP A 93 7.137 9.327 -3.451 1.00 0.00 H new ATOM 1381 N GLU A 94 6.702 6.883 -6.527 1.00 0.00 N ATOM 1382 CA GLU A 94 5.994 6.234 -7.628 1.00 0.00 C ATOM 1383 C GLU A 94 4.487 6.376 -7.441 1.00 0.00 C ATOM 1384 O GLU A 94 3.929 7.457 -7.639 1.00 0.00 O ATOM 1385 CB GLU A 94 6.393 4.758 -7.749 1.00 0.00 C ATOM 1386 CG GLU A 94 7.079 4.423 -9.063 1.00 0.00 C ATOM 1387 CD GLU A 94 6.209 3.591 -9.982 1.00 0.00 C ATOM 1388 OE1 GLU A 94 5.395 2.786 -9.478 1.00 0.00 O ATOM 1389 OE2 GLU A 94 6.336 3.739 -11.220 1.00 0.00 O ATOM 0 H GLU A 94 7.326 7.635 -6.820 1.00 0.00 H new ATOM 0 HA GLU A 94 6.277 6.729 -8.557 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.058 4.501 -6.925 1.00 0.00 H new ATOM 0 HB3 GLU A 94 5.502 4.139 -7.645 1.00 0.00 H new ATOM 0 HG2 GLU A 94 7.355 5.348 -9.570 1.00 0.00 H new ATOM 0 HG3 GLU A 94 8.004 3.883 -8.858 1.00 0.00 H new ATOM 1396 N ARG A 95 3.845 5.310 -6.994 1.00 0.00 N ATOM 1397 CA ARG A 95 2.423 5.345 -6.706 1.00 0.00 C ATOM 1398 C ARG A 95 2.163 4.989 -5.248 1.00 0.00 C ATOM 1399 O ARG A 95 1.066 5.227 -4.737 1.00 0.00 O ATOM 1400 CB ARG A 95 1.673 4.381 -7.625 1.00 0.00 C ATOM 1401 CG ARG A 95 0.412 4.976 -8.223 1.00 0.00 C ATOM 1402 CD ARG A 95 0.674 5.554 -9.605 1.00 0.00 C ATOM 1403 NE ARG A 95 0.031 4.770 -10.659 1.00 0.00 N ATOM 1404 CZ ARG A 95 -1.216 4.970 -11.092 1.00 0.00 C ATOM 1405 NH1 ARG A 95 -1.983 5.902 -10.536 1.00 0.00 N ATOM 1406 NH2 ARG A 95 -1.697 4.219 -12.076 1.00 0.00 N ATOM 0 H ARG A 95 4.288 4.408 -6.823 1.00 0.00 H new ATOM 0 HA ARG A 95 2.060 6.357 -6.885 1.00 0.00 H new ATOM 0 HB2 ARG A 95 2.337 4.069 -8.432 1.00 0.00 H new ATOM 0 HB3 ARG A 95 1.412 3.484 -7.063 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -0.359 4.208 -8.288 1.00 0.00 H new ATOM 0 HG3 ARG A 95 0.029 5.757 -7.566 1.00 0.00 H new ATOM 0 HD2 ARG A 95 0.309 6.581 -9.643 1.00 0.00 H new ATOM 0 HD3 ARG A 95 1.748 5.590 -9.785 1.00 0.00 H new ATOM 0 HE ARG A 95 0.571 4.021 -11.092 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -1.620 6.472 -9.772 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -2.934 6.048 -10.874 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -1.115 3.495 -12.496 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -2.649 4.367 -12.412 1.00 0.00 H new ATOM 1420 N LEU A 96 3.185 4.432 -4.586 1.00 0.00 N ATOM 1421 CA LEU A 96 3.090 4.002 -3.188 1.00 0.00 C ATOM 1422 C LEU A 96 1.850 3.148 -2.967 1.00 0.00 C ATOM 1423 O LEU A 96 1.766 2.027 -3.465 1.00 0.00 O ATOM 1424 CB LEU A 96 3.086 5.201 -2.234 1.00 0.00 C ATOM 1425 CG LEU A 96 4.447 5.855 -1.998 1.00 0.00 C ATOM 1426 CD1 LEU A 96 4.315 7.015 -1.025 1.00 0.00 C ATOM 1427 CD2 LEU A 96 5.448 4.834 -1.478 1.00 0.00 C ATOM 0 H LEU A 96 4.100 4.267 -5.006 1.00 0.00 H new ATOM 0 HA LEU A 96 3.972 3.399 -2.970 1.00 0.00 H new ATOM 0 HB2 LEU A 96 2.403 5.954 -2.627 1.00 0.00 H new ATOM 0 HB3 LEU A 96 2.685 4.878 -1.273 1.00 0.00 H new ATOM 0 HG LEU A 96 4.814 6.241 -2.949 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.293 7.470 -0.867 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.631 7.758 -1.435 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.927 6.650 -0.074 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.411 5.318 -1.316 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.088 4.418 -0.537 1.00 0.00 H new ATOM 0 HD23 LEU A 96 5.563 4.033 -2.208 1.00 0.00 H new ATOM 1439 N ILE A 97 0.856 3.723 -2.298 1.00 0.00 N ATOM 1440 CA ILE A 97 -0.432 3.073 -2.111 1.00 0.00 C ATOM 1441 C ILE A 97 -1.499 4.096 -1.773 1.00 0.00 C ATOM 1442 O ILE A 97 -1.326 4.915 -0.873 1.00 0.00 O ATOM 1443 CB ILE A 97 -0.433 2.001 -1.001 1.00 0.00 C ATOM 1444 CG1 ILE A 97 0.871 2.017 -0.202 1.00 0.00 C ATOM 1445 CG2 ILE A 97 -0.682 0.632 -1.605 1.00 0.00 C ATOM 1446 CD1 ILE A 97 0.710 2.540 1.210 1.00 0.00 C ATOM 0 H ILE A 97 0.922 4.648 -1.873 1.00 0.00 H new ATOM 0 HA ILE A 97 -0.643 2.576 -3.058 1.00 0.00 H new ATOM 0 HB ILE A 97 -1.239 2.232 -0.305 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.275 1.006 -0.162 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.602 2.632 -0.727 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -0.681 -0.120 -0.816 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -1.648 0.627 -2.110 1.00 0.00 H new ATOM 0 HG23 ILE A 97 0.104 0.403 -2.324 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.675 2.522 1.717 1.00 0.00 H new ATOM 0 HD12 ILE A 97 0.335 3.563 1.179 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.004 1.911 1.753 1.00 0.00 H new ATOM 1458 N THR A 98 -2.625 3.995 -2.443 1.00 0.00 N ATOM 1459 CA THR A 98 -3.754 4.845 -2.170 1.00 0.00 C ATOM 1460 C THR A 98 -4.847 4.019 -1.487 1.00 0.00 C ATOM 1461 O THR A 98 -5.183 2.923 -1.945 1.00 0.00 O ATOM 1462 CB THR A 98 -4.260 5.493 -3.486 1.00 0.00 C ATOM 1463 OG1 THR A 98 -3.969 6.898 -3.491 1.00 0.00 O ATOM 1464 CG2 THR A 98 -5.747 5.280 -3.690 1.00 0.00 C ATOM 0 H THR A 98 -2.780 3.320 -3.192 1.00 0.00 H new ATOM 0 HA THR A 98 -3.464 5.653 -1.499 1.00 0.00 H new ATOM 0 HB THR A 98 -3.737 5.005 -4.308 1.00 0.00 H new ATOM 0 HG1 THR A 98 -4.291 7.296 -4.327 1.00 0.00 H new ATOM 0 HG21 THR A 98 -6.057 5.750 -4.623 1.00 0.00 H new ATOM 0 HG22 THR A 98 -5.959 4.212 -3.734 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.296 5.725 -2.860 1.00 0.00 H new ATOM 1472 N ARG A 99 -5.299 4.477 -0.326 1.00 0.00 N ATOM 1473 CA ARG A 99 -6.290 3.735 0.443 1.00 0.00 C ATOM 1474 C ARG A 99 -7.686 4.201 0.079 1.00 0.00 C ATOM 1475 O ARG A 99 -7.932 5.398 -0.058 1.00 0.00 O ATOM 1476 CB ARG A 99 -6.075 3.897 1.952 1.00 0.00 C ATOM 1477 CG ARG A 99 -4.641 4.197 2.353 1.00 0.00 C ATOM 1478 CD ARG A 99 -4.099 3.190 3.359 1.00 0.00 C ATOM 1479 NE ARG A 99 -5.143 2.576 4.182 1.00 0.00 N ATOM 1480 CZ ARG A 99 -5.621 3.095 5.308 1.00 0.00 C ATOM 1481 NH1 ARG A 99 -5.277 4.321 5.686 1.00 0.00 N ATOM 1482 NH2 ARG A 99 -6.465 2.387 6.044 1.00 0.00 N ATOM 0 H ARG A 99 -4.998 5.353 0.101 1.00 0.00 H new ATOM 0 HA ARG A 99 -6.175 2.680 0.195 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -6.716 4.701 2.314 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -6.396 2.983 2.453 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -4.010 4.195 1.464 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -4.587 5.198 2.780 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -3.559 2.408 2.825 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -3.379 3.687 4.009 1.00 0.00 H new ATOM 0 HE ARG A 99 -5.531 1.686 3.869 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -4.641 4.873 5.110 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -5.649 4.711 6.552 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -6.742 1.452 5.745 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -6.837 2.777 6.910 1.00 0.00 H new ATOM 1496 N LEU A 100 -8.587 3.256 -0.118 1.00 0.00 N ATOM 1497 CA LEU A 100 -9.948 3.578 -0.486 1.00 0.00 C ATOM 1498 C LEU A 100 -10.929 2.770 0.334 1.00 0.00 C ATOM 1499 O LEU A 100 -10.558 1.801 0.994 1.00 0.00 O ATOM 1500 CB LEU A 100 -10.178 3.285 -1.960 1.00 0.00 C ATOM 1501 CG LEU A 100 -10.992 4.335 -2.702 1.00 0.00 C ATOM 1502 CD1 LEU A 100 -10.065 5.406 -3.250 1.00 0.00 C ATOM 1503 CD2 LEU A 100 -11.800 3.693 -3.819 1.00 0.00 C ATOM 0 H LEU A 100 -8.397 2.258 -0.028 1.00 0.00 H new ATOM 0 HA LEU A 100 -10.106 4.639 -0.293 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -9.210 3.183 -2.451 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.684 2.324 -2.050 1.00 0.00 H new ATOM 0 HG LEU A 100 -11.693 4.800 -2.008 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -10.650 6.157 -3.781 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.529 5.879 -2.427 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -9.350 4.952 -3.936 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -12.376 4.459 -4.338 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -11.125 3.207 -4.523 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -12.479 2.952 -3.397 1.00 0.00 H new ATOM 1515 N GLU A 101 -12.193 3.095 0.171 1.00 0.00 N ATOM 1516 CA GLU A 101 -13.266 2.346 0.807 1.00 0.00 C ATOM 1517 C GLU A 101 -14.028 1.546 -0.238 1.00 0.00 C ATOM 1518 O GLU A 101 -14.244 2.020 -1.355 1.00 0.00 O ATOM 1519 CB GLU A 101 -14.228 3.281 1.551 1.00 0.00 C ATOM 1520 CG GLU A 101 -13.799 4.741 1.549 1.00 0.00 C ATOM 1521 CD GLU A 101 -14.901 5.671 1.088 1.00 0.00 C ATOM 1522 OE1 GLU A 101 -16.089 5.343 1.292 1.00 0.00 O ATOM 1523 OE2 GLU A 101 -14.587 6.733 0.516 1.00 0.00 O ATOM 0 H GLU A 101 -12.509 3.879 -0.400 1.00 0.00 H new ATOM 0 HA GLU A 101 -12.822 1.666 1.534 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -15.217 3.203 1.098 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -14.322 2.942 2.583 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -13.485 5.025 2.554 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -12.932 4.860 0.899 1.00 0.00 H new ATOM 1530 N ASN A 102 -14.424 0.333 0.126 1.00 0.00 N ATOM 1531 CA ASN A 102 -15.177 -0.528 -0.780 1.00 0.00 C ATOM 1532 C ASN A 102 -16.552 0.076 -1.037 1.00 0.00 C ATOM 1533 O ASN A 102 -16.901 0.402 -2.170 1.00 0.00 O ATOM 1534 CB ASN A 102 -15.309 -1.934 -0.187 1.00 0.00 C ATOM 1535 CG ASN A 102 -15.956 -2.923 -1.139 1.00 0.00 C ATOM 1536 OD1 ASN A 102 -16.041 -2.687 -2.345 1.00 0.00 O ATOM 1537 ND2 ASN A 102 -16.397 -4.049 -0.601 1.00 0.00 N ATOM 0 H ASN A 102 -14.237 -0.077 1.041 1.00 0.00 H new ATOM 0 HA ASN A 102 -14.644 -0.605 -1.727 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -14.320 -2.299 0.090 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -15.898 -1.882 0.729 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -16.827 -4.762 -1.191 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -16.307 -4.204 0.403 1.00 0.00 H new ATOM 1544 N THR A 103 -17.268 0.341 0.046 1.00 0.00 N ATOM 1545 CA THR A 103 -18.550 1.035 -0.005 1.00 0.00 C ATOM 1546 C THR A 103 -18.877 1.579 1.383 1.00 0.00 C ATOM 1547 O THR A 103 -18.896 2.792 1.604 1.00 0.00 O ATOM 1548 CB THR A 103 -19.698 0.111 -0.481 1.00 0.00 C ATOM 1549 OG1 THR A 103 -19.420 -0.397 -1.792 1.00 0.00 O ATOM 1550 CG2 THR A 103 -21.029 0.853 -0.496 1.00 0.00 C ATOM 0 H THR A 103 -16.977 0.081 0.988 1.00 0.00 H new ATOM 0 HA THR A 103 -18.463 1.847 -0.727 1.00 0.00 H new ATOM 0 HB THR A 103 -19.768 -0.719 0.222 1.00 0.00 H new ATOM 0 HG1 THR A 103 -18.671 0.099 -2.183 1.00 0.00 H new ATOM 0 HG21 THR A 103 -21.817 0.180 -0.834 1.00 0.00 H new ATOM 0 HG22 THR A 103 -21.260 1.206 0.509 1.00 0.00 H new ATOM 0 HG23 THR A 103 -20.963 1.704 -1.174 1.00 0.00 H new ATOM 1558 N GLN A 104 -19.007 0.672 2.337 1.00 0.00 N ATOM 1559 CA GLN A 104 -19.218 1.042 3.726 1.00 0.00 C ATOM 1560 C GLN A 104 -18.444 0.098 4.642 1.00 0.00 C ATOM 1561 O GLN A 104 -17.465 0.490 5.279 1.00 0.00 O ATOM 1562 CB GLN A 104 -20.716 1.022 4.076 1.00 0.00 C ATOM 1563 CG GLN A 104 -21.509 -0.078 3.379 1.00 0.00 C ATOM 1564 CD GLN A 104 -22.026 -1.129 4.348 1.00 0.00 C ATOM 1565 OE1 GLN A 104 -22.351 -0.826 5.497 1.00 0.00 O ATOM 1566 NE2 GLN A 104 -22.094 -2.371 3.895 1.00 0.00 N ATOM 0 H GLN A 104 -18.970 -0.334 2.172 1.00 0.00 H new ATOM 0 HA GLN A 104 -18.850 2.057 3.873 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -20.824 0.904 5.154 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -21.151 1.987 3.816 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -22.351 0.367 2.848 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -20.878 -0.558 2.631 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -21.815 -2.580 2.936 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -22.425 -3.119 4.505 1.00 0.00 H new ATOM 1575 N PHE A 105 -18.878 -1.152 4.681 1.00 0.00 N ATOM 1576 CA PHE A 105 -18.264 -2.165 5.498 1.00 0.00 C ATOM 1577 C PHE A 105 -18.306 -3.489 4.751 1.00 0.00 C ATOM 1578 O PHE A 105 -18.092 -3.531 3.541 1.00 0.00 O ATOM 1579 CB PHE A 105 -19.032 -2.275 6.813 1.00 0.00 C ATOM 1580 CG PHE A 105 -18.414 -1.503 7.932 1.00 0.00 C ATOM 1581 CD1 PHE A 105 -17.087 -1.691 8.258 1.00 0.00 C ATOM 1582 CD2 PHE A 105 -19.157 -0.581 8.646 1.00 0.00 C ATOM 1583 CE1 PHE A 105 -16.506 -0.972 9.280 1.00 0.00 C ATOM 1584 CE2 PHE A 105 -18.584 0.141 9.673 1.00 0.00 C ATOM 1585 CZ PHE A 105 -17.255 -0.055 9.989 1.00 0.00 C ATOM 0 H PHE A 105 -19.674 -1.486 4.138 1.00 0.00 H new ATOM 0 HA PHE A 105 -17.227 -1.906 5.712 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -20.052 -1.922 6.659 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -19.097 -3.325 7.099 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -16.498 -2.409 7.707 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -20.196 -0.424 8.397 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -15.466 -1.126 9.526 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -19.173 0.857 10.227 1.00 0.00 H new ATOM 0 HZ PHE A 105 -16.801 0.509 10.791 1.00 0.00 H new ATOM 1595 N ASP A 106 -18.798 -4.502 5.422 1.00 0.00 N ATOM 1596 CA ASP A 106 -19.140 -5.752 4.768 1.00 0.00 C ATOM 1597 C ASP A 106 -20.628 -5.956 4.890 1.00 0.00 C ATOM 1598 O ASP A 106 -21.381 -5.806 3.928 1.00 0.00 O ATOM 1599 CB ASP A 106 -18.430 -6.936 5.415 1.00 0.00 C ATOM 1600 CG ASP A 106 -18.587 -8.217 4.618 1.00 0.00 C ATOM 1601 OD1 ASP A 106 -18.820 -8.145 3.392 1.00 0.00 O ATOM 1602 OD2 ASP A 106 -18.486 -9.307 5.215 1.00 0.00 O ATOM 0 H ASP A 106 -18.973 -4.489 6.427 1.00 0.00 H new ATOM 0 HA ASP A 106 -18.828 -5.697 3.725 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -17.370 -6.706 5.520 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -18.825 -7.087 6.420 1.00 0.00 H new ATOM 1607 N ALA A 107 -21.042 -6.191 6.120 1.00 0.00 N ATOM 1608 CA ALA A 107 -22.454 -6.336 6.446 1.00 0.00 C ATOM 1609 C ALA A 107 -22.683 -6.195 7.946 1.00 0.00 C ATOM 1610 O ALA A 107 -23.645 -6.754 8.480 1.00 0.00 O ATOM 1611 CB ALA A 107 -22.975 -7.683 5.957 1.00 0.00 C ATOM 0 H ALA A 107 -20.416 -6.287 6.920 1.00 0.00 H new ATOM 0 HA ALA A 107 -23.003 -5.541 5.941 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -24.032 -7.777 6.208 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -22.851 -7.750 4.876 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -22.415 -8.486 6.437 1.00 0.00 H new ATOM 1617 N ALA A 108 -21.738 -5.532 8.625 1.00 0.00 N ATOM 1618 CA ALA A 108 -21.740 -5.396 10.086 1.00 0.00 C ATOM 1619 C ALA A 108 -21.447 -6.743 10.737 1.00 0.00 C ATOM 1620 O ALA A 108 -20.305 -7.037 11.089 1.00 0.00 O ATOM 1621 CB ALA A 108 -23.055 -4.809 10.597 1.00 0.00 C ATOM 0 H ALA A 108 -20.947 -5.073 8.173 1.00 0.00 H new ATOM 0 HA ALA A 108 -20.952 -4.696 10.363 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -23.018 -4.724 11.683 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -23.207 -3.822 10.161 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -23.880 -5.462 10.312 1.00 0.00 H new ATOM 1627 N ASN A 109 -22.425 -7.630 10.692 1.00 0.00 N ATOM 1628 CA ASN A 109 -22.227 -9.012 11.101 1.00 0.00 C ATOM 1629 C ASN A 109 -21.882 -9.862 9.882 1.00 0.00 C ATOM 1630 O ASN A 109 -22.475 -10.918 9.649 1.00 0.00 O ATOM 1631 CB ASN A 109 -23.481 -9.553 11.795 1.00 0.00 C ATOM 1632 CG ASN A 109 -23.194 -10.785 12.637 1.00 0.00 C ATOM 1633 OD1 ASN A 109 -22.109 -11.361 12.570 1.00 0.00 O ATOM 1634 ND2 ASN A 109 -24.160 -11.194 13.443 1.00 0.00 N ATOM 0 H ASN A 109 -23.371 -7.417 10.374 1.00 0.00 H new ATOM 0 HA ASN A 109 -21.402 -9.057 11.812 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -23.906 -8.775 12.429 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -24.232 -9.797 11.043 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -24.018 -12.012 14.035 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -25.047 -10.691 13.472 1.00 0.00 H new ATOM 1641 N GLY A 110 -20.983 -9.341 9.057 1.00 0.00 N ATOM 1642 CA GLY A 110 -20.615 -10.017 7.830 1.00 0.00 C ATOM 1643 C GLY A 110 -19.543 -11.065 8.044 1.00 0.00 C ATOM 1644 O GLY A 110 -19.523 -11.744 9.074 1.00 0.00 O ATOM 0 H GLY A 110 -20.500 -8.457 9.218 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -21.499 -10.488 7.400 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -20.261 -9.283 7.106 1.00 0.00 H new ATOM 1648 N ILE A 111 -18.645 -11.187 7.081 1.00 0.00 N ATOM 1649 CA ILE A 111 -17.553 -12.148 7.163 1.00 0.00 C ATOM 1650 C ILE A 111 -16.216 -11.457 6.915 1.00 0.00 C ATOM 1651 O ILE A 111 -15.190 -11.829 7.489 1.00 0.00 O ATOM 1652 CB ILE A 111 -17.730 -13.300 6.145 1.00 0.00 C ATOM 1653 CG1 ILE A 111 -19.141 -13.887 6.233 1.00 0.00 C ATOM 1654 CG2 ILE A 111 -16.693 -14.388 6.378 1.00 0.00 C ATOM 1655 CD1 ILE A 111 -19.864 -13.922 4.905 1.00 0.00 C ATOM 0 H ILE A 111 -18.650 -10.629 6.227 1.00 0.00 H new ATOM 0 HA ILE A 111 -17.568 -12.570 8.168 1.00 0.00 H new ATOM 0 HB ILE A 111 -17.585 -12.892 5.145 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -19.080 -14.900 6.631 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -19.726 -13.300 6.941 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -16.836 -15.188 5.652 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -15.693 -13.968 6.264 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -16.806 -14.788 7.386 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -20.857 -14.350 5.043 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -19.956 -12.909 4.514 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -19.300 -14.533 4.200 1.00 0.00 H new ATOM 1667 N ASP A 112 -16.245 -10.423 6.091 1.00 0.00 N ATOM 1668 CA ASP A 112 -15.046 -9.655 5.775 1.00 0.00 C ATOM 1669 C ASP A 112 -15.065 -8.314 6.488 1.00 0.00 C ATOM 1670 O ASP A 112 -14.249 -7.431 6.215 1.00 0.00 O ATOM 1671 CB ASP A 112 -14.928 -9.441 4.266 1.00 0.00 C ATOM 1672 CG ASP A 112 -13.625 -9.974 3.712 1.00 0.00 C ATOM 1673 OD1 ASP A 112 -12.737 -10.336 4.515 1.00 0.00 O ATOM 1674 OD2 ASP A 112 -13.486 -10.058 2.472 1.00 0.00 O ATOM 0 H ASP A 112 -17.090 -10.092 5.625 1.00 0.00 H new ATOM 0 HA ASP A 112 -14.181 -10.222 6.119 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -15.762 -9.933 3.765 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -15.006 -8.377 4.045 1.00 0.00 H new ATOM 1679 N ASP A 113 -15.994 -8.176 7.421 1.00 0.00 N ATOM 1680 CA ASP A 113 -16.114 -6.958 8.208 1.00 0.00 C ATOM 1681 C ASP A 113 -15.034 -6.921 9.282 1.00 0.00 C ATOM 1682 O ASP A 113 -14.362 -7.924 9.532 1.00 0.00 O ATOM 1683 CB ASP A 113 -17.500 -6.868 8.854 1.00 0.00 C ATOM 1684 CG ASP A 113 -18.066 -5.459 8.818 1.00 0.00 C ATOM 1685 OD1 ASP A 113 -17.494 -4.574 9.487 1.00 0.00 O ATOM 1686 OD2 ASP A 113 -19.082 -5.239 8.116 1.00 0.00 O ATOM 0 H ASP A 113 -16.679 -8.896 7.653 1.00 0.00 H new ATOM 0 HA ASP A 113 -15.985 -6.103 7.544 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -18.182 -7.544 8.339 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -17.438 -7.205 9.889 1.00 0.00 H new ATOM 1691 N GLU A 114 -14.905 -5.796 9.954 1.00 0.00 N ATOM 1692 CA GLU A 114 -13.935 -5.671 11.026 1.00 0.00 C ATOM 1693 C GLU A 114 -14.641 -5.313 12.324 1.00 0.00 C ATOM 1694 O GLU A 114 -14.713 -6.178 13.221 1.00 0.00 O ATOM 1695 CB GLU A 114 -12.881 -4.619 10.678 1.00 0.00 C ATOM 1696 CG GLU A 114 -11.572 -4.788 11.435 1.00 0.00 C ATOM 1697 CD GLU A 114 -11.245 -3.592 12.307 1.00 0.00 C ATOM 1698 OE1 GLU A 114 -11.877 -2.531 12.126 1.00 0.00 O ATOM 1699 OE2 GLU A 114 -10.354 -3.702 13.176 1.00 0.00 O ATOM 1700 OXT GLU A 114 -15.161 -4.182 12.429 1.00 0.00 O ATOM 0 H GLU A 114 -15.457 -4.956 9.779 1.00 0.00 H new ATOM 0 HA GLU A 114 -13.428 -6.627 11.155 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -12.679 -4.661 9.608 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -13.286 -3.629 10.888 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -11.629 -5.682 12.057 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -10.762 -4.946 10.723 1.00 0.00 H new TER 1707 GLU A 114 HETATM 1708 ZN ZN A 115 -5.140 -9.636 -1.197 1.00 0.00 ZN HETATM 1709 ZN ZN A 116 10.768 -4.017 4.304 1.00 0.00 ZN