USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 600 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 LYS NZ :NH3+ -140:sc= 1.84 (180deg=-2.42!) USER MOD Set 1.2: A 43 ASN : amide:sc= 1.07 K(o=2.9,f=-10!) USER MOD Set 2.1: A 30 HIS : no HE2:sc= 0.441 K(o=-0.17,f=-3.1!) USER MOD Set 2.2: A 63 THR OG1 : rot 180:sc= -0.615 USER MOD Set 3.1: A 12 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 52 LYS NZ :NH3+ -149:sc= -0.994! (180deg=-2.5!) USER MOD Set 4.1: A 1 MET N :NH3+ 173:sc= 2.32 (180deg=0.666) USER MOD Set 4.2: A 4 GLN : amide:sc= 1.27 K(o=3.6,f=-7.1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 150:sc= -0.897 (180deg=-3.79!) USER MOD Single : A 16 THR OG1 : rot 47:sc= 0.491 USER MOD Single : A 19 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 21 MET CE :methyl -147:sc= -0.203 (180deg=-0.738) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 1.22 (180deg=1.22) USER MOD Single : A 28 ASN : amide:sc= -0.929 K(o=-0.93,f=-4.5!) USER MOD Single : A 35 HIS : +bothHN:sc= 0.156 K(o=0.16,f=-5.2!) USER MOD Single : A 37 SER OG : rot 180:sc= 0.0214 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot -37:sc= 1.24 USER MOD Single : A 57 MET CE :methyl -129:sc= -2.99! (180deg=-3.63!) USER MOD Single : A 58 SER OG : rot 46:sc= 0.175 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 159:sc= 1.32 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 154:sc= -0.125! (180deg=-2.34!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.424 -18.417 10.772 1.00 0.00 N ATOM 2 CA MET A 1 9.570 -19.324 11.560 1.00 0.00 C ATOM 3 C MET A 1 8.128 -18.967 11.325 1.00 0.00 C ATOM 4 O MET A 1 7.389 -19.736 10.752 1.00 0.00 O ATOM 5 CB MET A 1 9.909 -19.262 13.067 1.00 0.00 C ATOM 6 CG MET A 1 11.287 -19.810 13.446 1.00 0.00 C ATOM 7 SD MET A 1 12.651 -18.936 12.639 1.00 0.00 S ATOM 8 CE MET A 1 14.068 -19.801 13.333 1.00 0.00 C ATOM 0 H1 MET A 1 11.421 -18.578 11.018 1.00 0.00 H new ATOM 0 H2 MET A 1 10.284 -18.602 9.758 1.00 0.00 H new ATOM 0 H3 MET A 1 10.170 -17.431 10.983 1.00 0.00 H new ATOM 0 HA MET A 1 9.754 -20.348 11.234 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.845 -18.225 13.396 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.150 -19.818 13.617 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.412 -19.745 14.527 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.335 -20.867 13.183 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.987 -19.375 12.930 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.064 -19.695 14.418 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.013 -20.858 13.072 1.00 0.00 H new ATOM 20 N ALA A 2 7.745 -17.783 11.744 1.00 0.00 N ATOM 21 CA ALA A 2 6.410 -17.290 11.503 1.00 0.00 C ATOM 22 C ALA A 2 6.485 -16.356 10.310 1.00 0.00 C ATOM 23 O ALA A 2 7.532 -16.309 9.640 1.00 0.00 O ATOM 24 CB ALA A 2 5.897 -16.555 12.736 1.00 0.00 C ATOM 0 H ALA A 2 8.346 -17.139 12.258 1.00 0.00 H new ATOM 0 HA ALA A 2 5.720 -18.108 11.298 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.889 -16.186 12.546 1.00 0.00 H new ATOM 0 HB2 ALA A 2 5.880 -17.238 13.586 1.00 0.00 H new ATOM 0 HB3 ALA A 2 6.555 -15.715 12.959 1.00 0.00 H new ATOM 30 N LYS A 3 5.424 -15.623 10.034 1.00 0.00 N ATOM 31 CA LYS A 3 5.446 -14.664 8.945 1.00 0.00 C ATOM 32 C LYS A 3 6.183 -13.418 9.414 1.00 0.00 C ATOM 33 O LYS A 3 5.594 -12.502 9.974 1.00 0.00 O ATOM 34 CB LYS A 3 4.026 -14.321 8.443 1.00 0.00 C ATOM 35 CG LYS A 3 3.205 -15.536 7.975 1.00 0.00 C ATOM 36 CD LYS A 3 3.837 -16.304 6.785 1.00 0.00 C ATOM 37 CE LYS A 3 3.660 -15.617 5.409 1.00 0.00 C ATOM 38 NZ LYS A 3 4.307 -14.298 5.311 1.00 0.00 N ATOM 0 H LYS A 3 4.542 -15.672 10.544 1.00 0.00 H new ATOM 0 HA LYS A 3 5.967 -15.104 8.095 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.483 -13.818 9.243 1.00 0.00 H new ATOM 0 HB3 LYS A 3 4.107 -13.613 7.618 1.00 0.00 H new ATOM 0 HG2 LYS A 3 3.082 -16.222 8.813 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.208 -15.200 7.689 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.902 -16.434 6.978 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.398 -17.301 6.738 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.066 -16.268 4.635 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.595 -15.504 5.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.599 -14.127 4.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.637 -13.560 5.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.143 -14.275 5.929 1.00 0.00 H new ATOM 52 N GLN A 4 7.477 -13.460 9.247 1.00 0.00 N ATOM 53 CA GLN A 4 8.400 -12.423 9.694 1.00 0.00 C ATOM 54 C GLN A 4 8.964 -11.716 8.476 1.00 0.00 C ATOM 55 O GLN A 4 9.878 -10.901 8.560 1.00 0.00 O ATOM 56 CB GLN A 4 9.526 -13.104 10.482 1.00 0.00 C ATOM 57 CG GLN A 4 9.040 -13.836 11.730 1.00 0.00 C ATOM 58 CD GLN A 4 10.079 -14.767 12.317 1.00 0.00 C ATOM 59 OE1 GLN A 4 10.135 -15.966 11.971 1.00 0.00 O ATOM 60 NE2 GLN A 4 10.904 -14.256 13.192 1.00 0.00 N ATOM 0 H GLN A 4 7.945 -14.238 8.782 1.00 0.00 H new ATOM 0 HA GLN A 4 7.898 -11.691 10.327 1.00 0.00 H new ATOM 0 HB2 GLN A 4 10.037 -13.813 9.831 1.00 0.00 H new ATOM 0 HB3 GLN A 4 10.260 -12.353 10.774 1.00 0.00 H new ATOM 0 HG2 GLN A 4 8.751 -13.104 12.484 1.00 0.00 H new ATOM 0 HG3 GLN A 4 8.146 -14.409 11.483 1.00 0.00 H new ATOM 0 HE21 GLN A 4 10.828 -13.272 13.450 1.00 0.00 H new ATOM 0 HE22 GLN A 4 11.624 -14.841 13.617 1.00 0.00 H new ATOM 69 N ASP A 5 8.399 -12.063 7.366 1.00 0.00 N ATOM 70 CA ASP A 5 8.774 -11.577 6.068 1.00 0.00 C ATOM 71 C ASP A 5 7.963 -10.355 5.696 1.00 0.00 C ATOM 72 O ASP A 5 6.869 -10.116 6.235 1.00 0.00 O ATOM 73 CB ASP A 5 8.540 -12.687 5.031 1.00 0.00 C ATOM 74 CG ASP A 5 7.116 -13.225 5.074 1.00 0.00 C ATOM 75 OD1 ASP A 5 6.759 -13.944 6.063 1.00 0.00 O ATOM 76 OD2 ASP A 5 6.304 -12.943 4.170 1.00 0.00 O ATOM 0 H ASP A 5 7.624 -12.726 7.333 1.00 0.00 H new ATOM 0 HA ASP A 5 9.827 -11.296 6.086 1.00 0.00 H new ATOM 0 HB2 ASP A 5 8.750 -12.300 4.034 1.00 0.00 H new ATOM 0 HB3 ASP A 5 9.240 -13.503 5.211 1.00 0.00 H new ATOM 81 N VAL A 6 8.506 -9.582 4.793 1.00 0.00 N ATOM 82 CA VAL A 6 7.865 -8.410 4.263 1.00 0.00 C ATOM 83 C VAL A 6 7.877 -8.576 2.756 1.00 0.00 C ATOM 84 O VAL A 6 8.853 -9.085 2.205 1.00 0.00 O ATOM 85 CB VAL A 6 8.648 -7.107 4.661 1.00 0.00 C ATOM 86 CG1 VAL A 6 7.985 -5.854 4.096 1.00 0.00 C ATOM 87 CG2 VAL A 6 8.781 -6.988 6.176 1.00 0.00 C ATOM 0 H VAL A 6 9.430 -9.755 4.396 1.00 0.00 H new ATOM 0 HA VAL A 6 6.854 -8.308 4.658 1.00 0.00 H new ATOM 0 HB VAL A 6 9.644 -7.189 4.226 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.556 -4.975 4.393 1.00 0.00 H new ATOM 0 HG12 VAL A 6 7.956 -5.917 3.008 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.969 -5.774 4.482 1.00 0.00 H new ATOM 0 HG21 VAL A 6 9.327 -6.077 6.423 1.00 0.00 H new ATOM 0 HG22 VAL A 6 7.789 -6.950 6.626 1.00 0.00 H new ATOM 0 HG23 VAL A 6 9.322 -7.852 6.563 1.00 0.00 H new ATOM 97 N ILE A 7 6.828 -8.163 2.100 1.00 0.00 N ATOM 98 CA ILE A 7 6.708 -8.326 0.668 1.00 0.00 C ATOM 99 C ILE A 7 6.229 -7.010 0.073 1.00 0.00 C ATOM 100 O ILE A 7 5.513 -6.252 0.744 1.00 0.00 O ATOM 101 CB ILE A 7 5.695 -9.488 0.306 1.00 0.00 C ATOM 102 CG1 ILE A 7 6.142 -10.822 0.945 1.00 0.00 C ATOM 103 CG2 ILE A 7 5.560 -9.660 -1.214 1.00 0.00 C ATOM 104 CD1 ILE A 7 5.210 -11.993 0.678 1.00 0.00 C ATOM 0 H ILE A 7 6.030 -7.703 2.538 1.00 0.00 H new ATOM 0 HA ILE A 7 7.679 -8.598 0.255 1.00 0.00 H new ATOM 0 HB ILE A 7 4.721 -9.208 0.708 1.00 0.00 H new ATOM 0 HG12 ILE A 7 7.136 -11.073 0.574 1.00 0.00 H new ATOM 0 HG13 ILE A 7 6.230 -10.683 2.022 1.00 0.00 H new ATOM 0 HG21 ILE A 7 4.857 -10.465 -1.428 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.194 -8.732 -1.654 1.00 0.00 H new ATOM 0 HG23 ILE A 7 6.533 -9.904 -1.640 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.601 -12.887 1.163 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.220 -11.768 1.075 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.140 -12.165 -0.396 1.00 0.00 H new ATOM 116 N GLU A 8 6.634 -6.722 -1.143 1.00 0.00 N ATOM 117 CA GLU A 8 6.198 -5.533 -1.811 1.00 0.00 C ATOM 118 C GLU A 8 5.107 -5.896 -2.787 1.00 0.00 C ATOM 119 O GLU A 8 5.241 -6.823 -3.590 1.00 0.00 O ATOM 120 CB GLU A 8 7.342 -4.824 -2.526 1.00 0.00 C ATOM 121 CG GLU A 8 8.414 -4.284 -1.599 1.00 0.00 C ATOM 122 CD GLU A 8 9.475 -3.516 -2.348 1.00 0.00 C ATOM 123 OE1 GLU A 8 9.298 -2.290 -2.543 1.00 0.00 O ATOM 124 OE2 GLU A 8 10.475 -4.133 -2.753 1.00 0.00 O ATOM 0 H GLU A 8 7.270 -7.305 -1.687 1.00 0.00 H new ATOM 0 HA GLU A 8 5.817 -4.837 -1.064 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.802 -5.518 -3.230 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.935 -4.000 -3.111 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.955 -3.635 -0.853 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.877 -5.111 -1.060 1.00 0.00 H new ATOM 131 N LEU A 9 4.025 -5.198 -2.672 1.00 0.00 N ATOM 132 CA LEU A 9 2.838 -5.434 -3.439 1.00 0.00 C ATOM 133 C LEU A 9 2.482 -4.190 -4.208 1.00 0.00 C ATOM 134 O LEU A 9 2.945 -3.109 -3.885 1.00 0.00 O ATOM 135 CB LEU A 9 1.658 -5.821 -2.533 1.00 0.00 C ATOM 136 CG LEU A 9 1.822 -7.067 -1.652 1.00 0.00 C ATOM 137 CD1 LEU A 9 0.539 -7.336 -0.903 1.00 0.00 C ATOM 138 CD2 LEU A 9 2.210 -8.280 -2.486 1.00 0.00 C ATOM 0 H LEU A 9 3.936 -4.419 -2.019 1.00 0.00 H new ATOM 0 HA LEU A 9 3.034 -6.259 -4.124 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.442 -4.974 -1.882 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.782 -5.969 -3.165 1.00 0.00 H new ATOM 0 HG LEU A 9 2.624 -6.881 -0.937 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.661 -8.221 -0.279 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.298 -6.479 -0.274 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.270 -7.502 -1.615 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.319 -9.148 -1.836 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.434 -8.476 -3.226 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.155 -8.085 -2.994 1.00 0.00 H new ATOM 150 N GLU A 10 1.660 -4.347 -5.191 1.00 0.00 N ATOM 151 CA GLU A 10 1.212 -3.253 -6.003 1.00 0.00 C ATOM 152 C GLU A 10 -0.223 -2.946 -5.660 1.00 0.00 C ATOM 153 O GLU A 10 -0.993 -3.844 -5.256 1.00 0.00 O ATOM 154 CB GLU A 10 1.313 -3.624 -7.484 1.00 0.00 C ATOM 155 CG GLU A 10 2.549 -3.105 -8.194 1.00 0.00 C ATOM 156 CD GLU A 10 2.510 -1.601 -8.343 1.00 0.00 C ATOM 157 OE1 GLU A 10 1.531 -1.095 -8.962 1.00 0.00 O ATOM 158 OE2 GLU A 10 3.443 -0.922 -7.870 1.00 0.00 O ATOM 0 H GLU A 10 1.272 -5.251 -5.461 1.00 0.00 H new ATOM 0 HA GLU A 10 1.837 -2.380 -5.813 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.291 -4.710 -7.573 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.431 -3.244 -7.999 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.439 -3.394 -7.635 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.626 -3.568 -9.178 1.00 0.00 H new ATOM 165 N GLY A 11 -0.556 -1.702 -5.748 1.00 0.00 N ATOM 166 CA GLY A 11 -1.887 -1.265 -5.501 1.00 0.00 C ATOM 167 C GLY A 11 -2.161 -0.021 -6.266 1.00 0.00 C ATOM 168 O GLY A 11 -1.258 0.533 -6.875 1.00 0.00 O ATOM 0 H GLY A 11 0.093 -0.955 -5.995 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.594 -2.043 -5.790 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -2.028 -1.085 -4.435 1.00 0.00 H new ATOM 172 N THR A 12 -3.367 0.419 -6.235 1.00 0.00 N ATOM 173 CA THR A 12 -3.778 1.599 -6.930 1.00 0.00 C ATOM 174 C THR A 12 -4.455 2.563 -5.941 1.00 0.00 C ATOM 175 O THR A 12 -5.359 2.177 -5.212 1.00 0.00 O ATOM 176 CB THR A 12 -4.750 1.213 -8.052 1.00 0.00 C ATOM 177 OG1 THR A 12 -4.146 0.170 -8.860 1.00 0.00 O ATOM 178 CG2 THR A 12 -5.055 2.417 -8.935 1.00 0.00 C ATOM 0 H THR A 12 -4.117 -0.037 -5.716 1.00 0.00 H new ATOM 0 HA THR A 12 -2.912 2.095 -7.368 1.00 0.00 H new ATOM 0 HB THR A 12 -5.681 0.859 -7.609 1.00 0.00 H new ATOM 0 HG1 THR A 12 -4.761 -0.084 -9.579 1.00 0.00 H new ATOM 0 HG21 THR A 12 -5.746 2.123 -9.725 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.507 3.205 -8.332 1.00 0.00 H new ATOM 0 HG23 THR A 12 -4.131 2.785 -9.380 1.00 0.00 H new ATOM 186 N VAL A 13 -4.002 3.793 -5.910 1.00 0.00 N ATOM 187 CA VAL A 13 -4.527 4.782 -4.973 1.00 0.00 C ATOM 188 C VAL A 13 -5.726 5.523 -5.527 1.00 0.00 C ATOM 189 O VAL A 13 -5.715 5.980 -6.678 1.00 0.00 O ATOM 190 CB VAL A 13 -3.423 5.757 -4.429 1.00 0.00 C ATOM 191 CG1 VAL A 13 -2.540 6.264 -5.522 1.00 0.00 C ATOM 192 CG2 VAL A 13 -4.017 6.926 -3.649 1.00 0.00 C ATOM 0 H VAL A 13 -3.266 4.144 -6.523 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.881 4.217 -4.110 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.815 5.169 -3.741 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.790 6.935 -5.102 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.044 5.424 -6.008 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.141 6.804 -6.254 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.214 7.572 -3.293 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.681 7.497 -4.298 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.581 6.546 -2.797 1.00 0.00 H new ATOM 202 N LEU A 14 -6.757 5.617 -4.718 1.00 0.00 N ATOM 203 CA LEU A 14 -7.975 6.277 -5.113 1.00 0.00 C ATOM 204 C LEU A 14 -8.032 7.694 -4.566 1.00 0.00 C ATOM 205 O LEU A 14 -8.429 8.617 -5.272 1.00 0.00 O ATOM 206 CB LEU A 14 -9.201 5.479 -4.656 1.00 0.00 C ATOM 207 CG LEU A 14 -9.328 4.050 -5.210 1.00 0.00 C ATOM 208 CD1 LEU A 14 -10.579 3.382 -4.670 1.00 0.00 C ATOM 209 CD2 LEU A 14 -9.347 4.053 -6.736 1.00 0.00 C ATOM 0 H LEU A 14 -6.772 5.238 -3.771 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.984 6.331 -6.202 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -9.187 5.424 -3.567 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.095 6.035 -4.936 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.457 3.483 -4.882 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -10.654 2.371 -5.072 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -10.527 3.337 -3.582 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -11.456 3.957 -4.968 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.438 3.030 -7.101 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -10.195 4.640 -7.088 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.422 4.491 -7.111 1.00 0.00 H new ATOM 221 N ASP A 15 -7.613 7.874 -3.331 1.00 0.00 N ATOM 222 CA ASP A 15 -7.680 9.166 -2.694 1.00 0.00 C ATOM 223 C ASP A 15 -6.424 9.467 -1.896 1.00 0.00 C ATOM 224 O ASP A 15 -5.658 8.562 -1.518 1.00 0.00 O ATOM 225 CB ASP A 15 -8.928 9.292 -1.827 1.00 0.00 C ATOM 226 CG ASP A 15 -8.966 8.322 -0.674 1.00 0.00 C ATOM 227 OD1 ASP A 15 -8.403 8.631 0.384 1.00 0.00 O ATOM 228 OD2 ASP A 15 -9.569 7.246 -0.832 1.00 0.00 O ATOM 0 H ASP A 15 -7.221 7.135 -2.748 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.747 9.912 -3.486 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.988 10.308 -1.437 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.809 9.137 -2.450 1.00 0.00 H new ATOM 233 N THR A 16 -6.202 10.731 -1.676 1.00 0.00 N ATOM 234 CA THR A 16 -5.029 11.214 -1.020 1.00 0.00 C ATOM 235 C THR A 16 -5.334 11.540 0.443 1.00 0.00 C ATOM 236 O THR A 16 -6.181 12.400 0.730 1.00 0.00 O ATOM 237 CB THR A 16 -4.542 12.481 -1.755 1.00 0.00 C ATOM 238 OG1 THR A 16 -5.641 13.407 -1.849 1.00 0.00 O ATOM 239 CG2 THR A 16 -4.069 12.140 -3.165 1.00 0.00 C ATOM 0 H THR A 16 -6.849 11.469 -1.956 1.00 0.00 H new ATOM 0 HA THR A 16 -4.253 10.449 -1.043 1.00 0.00 H new ATOM 0 HB THR A 16 -3.711 12.915 -1.200 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.086 13.475 -0.979 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.730 13.048 -3.665 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.246 11.427 -3.110 1.00 0.00 H new ATOM 0 HG23 THR A 16 -4.892 11.701 -3.729 1.00 0.00 H new ATOM 247 N LEU A 17 -4.644 10.884 1.349 1.00 0.00 N ATOM 248 CA LEU A 17 -4.888 11.065 2.758 1.00 0.00 C ATOM 249 C LEU A 17 -3.921 12.100 3.367 1.00 0.00 C ATOM 250 O LEU A 17 -2.797 12.290 2.882 1.00 0.00 O ATOM 251 CB LEU A 17 -4.760 9.731 3.525 1.00 0.00 C ATOM 252 CG LEU A 17 -5.733 8.591 3.178 1.00 0.00 C ATOM 253 CD1 LEU A 17 -5.486 7.420 4.104 1.00 0.00 C ATOM 254 CD2 LEU A 17 -7.177 9.054 3.289 1.00 0.00 C ATOM 0 H LEU A 17 -3.905 10.216 1.130 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.909 11.434 2.858 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.746 9.359 3.377 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.868 9.948 4.588 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.559 8.283 2.147 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.175 6.611 3.860 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.460 7.072 3.984 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.645 7.732 5.136 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.844 8.229 3.038 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.376 9.385 4.308 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.348 9.881 2.600 1.00 0.00 H new ATOM 266 N PRO A 18 -4.364 12.818 4.409 1.00 0.00 N ATOM 267 CA PRO A 18 -3.518 13.750 5.153 1.00 0.00 C ATOM 268 C PRO A 18 -2.342 13.036 5.848 1.00 0.00 C ATOM 269 O PRO A 18 -2.409 11.831 6.121 1.00 0.00 O ATOM 270 CB PRO A 18 -4.462 14.351 6.207 1.00 0.00 C ATOM 271 CG PRO A 18 -5.831 14.092 5.694 1.00 0.00 C ATOM 272 CD PRO A 18 -5.746 12.806 4.933 1.00 0.00 C ATOM 0 HA PRO A 18 -3.068 14.494 4.495 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -4.312 13.886 7.181 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -4.284 15.419 6.333 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.547 14.015 6.512 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.168 14.905 5.051 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.926 11.944 5.576 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.481 12.763 4.130 1.00 0.00 H new ATOM 280 N ASN A 19 -1.258 13.785 6.078 1.00 0.00 N ATOM 281 CA ASN A 19 -0.054 13.310 6.811 1.00 0.00 C ATOM 282 C ASN A 19 0.805 12.358 5.999 1.00 0.00 C ATOM 283 O ASN A 19 1.553 11.540 6.572 1.00 0.00 O ATOM 284 CB ASN A 19 -0.411 12.676 8.183 1.00 0.00 C ATOM 285 CG ASN A 19 -1.036 13.662 9.152 1.00 0.00 C ATOM 286 OD1 ASN A 19 -0.760 14.851 9.108 1.00 0.00 O ATOM 287 ND2 ASN A 19 -1.881 13.177 10.029 1.00 0.00 N ATOM 0 H ASN A 19 -1.180 14.751 5.761 1.00 0.00 H new ATOM 0 HA ASN A 19 0.539 14.207 6.992 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -1.100 11.846 8.024 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.492 12.260 8.630 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -2.330 13.798 10.702 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -2.089 12.179 10.038 1.00 0.00 H new ATOM 294 N ALA A 20 0.746 12.506 4.667 1.00 0.00 N ATOM 295 CA ALA A 20 1.568 11.721 3.722 1.00 0.00 C ATOM 296 C ALA A 20 1.163 10.243 3.743 1.00 0.00 C ATOM 297 O ALA A 20 2.001 9.333 3.569 1.00 0.00 O ATOM 298 CB ALA A 20 3.066 11.906 4.031 1.00 0.00 C ATOM 0 H ALA A 20 0.126 13.174 4.209 1.00 0.00 H new ATOM 0 HA ALA A 20 1.388 12.091 2.713 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.658 11.322 3.326 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.329 12.960 3.939 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.273 11.568 5.046 1.00 0.00 H new ATOM 304 N MET A 21 -0.119 10.018 3.952 1.00 0.00 N ATOM 305 CA MET A 21 -0.703 8.692 3.941 1.00 0.00 C ATOM 306 C MET A 21 -1.558 8.652 2.692 1.00 0.00 C ATOM 307 O MET A 21 -1.907 9.698 2.163 1.00 0.00 O ATOM 308 CB MET A 21 -1.627 8.504 5.152 1.00 0.00 C ATOM 309 CG MET A 21 -1.814 7.075 5.644 1.00 0.00 C ATOM 310 SD MET A 21 -0.328 6.389 6.393 1.00 0.00 S ATOM 311 CE MET A 21 -0.919 4.787 6.928 1.00 0.00 C ATOM 0 H MET A 21 -0.793 10.761 4.137 1.00 0.00 H new ATOM 0 HA MET A 21 0.066 7.920 3.969 1.00 0.00 H new ATOM 0 HB2 MET A 21 -1.236 9.101 5.976 1.00 0.00 H new ATOM 0 HB3 MET A 21 -2.607 8.910 4.901 1.00 0.00 H new ATOM 0 HG2 MET A 21 -2.625 7.050 6.371 1.00 0.00 H new ATOM 0 HG3 MET A 21 -2.117 6.445 4.807 1.00 0.00 H new ATOM 0 HE1 MET A 21 -0.406 4.497 7.845 1.00 0.00 H new ATOM 0 HE2 MET A 21 -1.992 4.838 7.113 1.00 0.00 H new ATOM 0 HE3 MET A 21 -0.720 4.048 6.152 1.00 0.00 H new ATOM 321 N PHE A 22 -1.876 7.509 2.219 1.00 0.00 N ATOM 322 CA PHE A 22 -2.710 7.373 1.041 1.00 0.00 C ATOM 323 C PHE A 22 -3.601 6.174 1.188 1.00 0.00 C ATOM 324 O PHE A 22 -3.207 5.178 1.832 1.00 0.00 O ATOM 325 CB PHE A 22 -1.863 7.247 -0.254 1.00 0.00 C ATOM 326 CG PHE A 22 -1.098 8.496 -0.627 1.00 0.00 C ATOM 327 CD1 PHE A 22 -1.690 9.476 -1.401 1.00 0.00 C ATOM 328 CD2 PHE A 22 0.201 8.695 -0.188 1.00 0.00 C ATOM 329 CE1 PHE A 22 -1.002 10.629 -1.729 1.00 0.00 C ATOM 330 CE2 PHE A 22 0.888 9.846 -0.518 1.00 0.00 C ATOM 331 CZ PHE A 22 0.285 10.813 -1.287 1.00 0.00 C ATOM 0 H PHE A 22 -1.575 6.623 2.624 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.315 8.275 0.953 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.156 6.426 -0.132 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.522 6.980 -1.080 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -2.702 9.339 -1.754 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.681 7.942 0.419 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -1.478 11.387 -2.334 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.901 9.987 -0.171 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.822 11.715 -1.543 1.00 0.00 H new ATOM 341 N LYS A 23 -4.797 6.266 0.649 1.00 0.00 N ATOM 342 CA LYS A 23 -5.691 5.147 0.632 1.00 0.00 C ATOM 343 C LYS A 23 -5.510 4.434 -0.670 1.00 0.00 C ATOM 344 O LYS A 23 -5.886 4.924 -1.757 1.00 0.00 O ATOM 345 CB LYS A 23 -7.151 5.536 0.880 1.00 0.00 C ATOM 346 CG LYS A 23 -8.132 4.401 0.603 1.00 0.00 C ATOM 347 CD LYS A 23 -9.543 4.743 1.034 1.00 0.00 C ATOM 348 CE LYS A 23 -10.555 3.837 0.348 1.00 0.00 C ATOM 349 NZ LYS A 23 -10.262 2.403 0.531 1.00 0.00 N ATOM 0 H LYS A 23 -5.167 7.112 0.216 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.443 4.483 1.460 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.263 5.860 1.915 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.405 6.389 0.250 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.126 4.170 -0.462 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.802 3.503 1.126 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.632 4.641 2.116 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.759 5.784 0.793 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.550 4.052 0.738 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.575 4.065 -0.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.984 1.836 0.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.325 2.187 0.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.270 2.174 1.545 1.00 0.00 H new ATOM 363 N VAL A 24 -4.861 3.335 -0.576 1.00 0.00 N ATOM 364 CA VAL A 24 -4.517 2.575 -1.739 1.00 0.00 C ATOM 365 C VAL A 24 -5.253 1.252 -1.729 1.00 0.00 C ATOM 366 O VAL A 24 -5.340 0.605 -0.707 1.00 0.00 O ATOM 367 CB VAL A 24 -2.979 2.315 -1.794 1.00 0.00 C ATOM 368 CG1 VAL A 24 -2.548 1.694 -3.101 1.00 0.00 C ATOM 369 CG2 VAL A 24 -2.171 3.570 -1.477 1.00 0.00 C ATOM 0 H VAL A 24 -4.548 2.928 0.305 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.808 3.147 -2.620 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.765 1.588 -1.011 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.470 1.533 -3.089 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.056 0.739 -3.235 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.806 2.361 -3.923 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.107 3.340 -1.527 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.409 4.349 -2.202 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.420 3.919 -0.475 1.00 0.00 H new ATOM 379 N GLU A 25 -5.806 0.876 -2.834 1.00 0.00 N ATOM 380 CA GLU A 25 -6.399 -0.416 -2.948 1.00 0.00 C ATOM 381 C GLU A 25 -5.468 -1.327 -3.690 1.00 0.00 C ATOM 382 O GLU A 25 -5.081 -1.041 -4.814 1.00 0.00 O ATOM 383 CB GLU A 25 -7.777 -0.398 -3.621 1.00 0.00 C ATOM 384 CG GLU A 25 -8.951 -0.447 -2.649 1.00 0.00 C ATOM 385 CD GLU A 25 -9.194 0.837 -1.862 1.00 0.00 C ATOM 386 OE1 GLU A 25 -8.352 1.235 -1.033 1.00 0.00 O ATOM 387 OE2 GLU A 25 -10.280 1.428 -2.004 1.00 0.00 O ATOM 0 H GLU A 25 -5.860 1.449 -3.676 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.563 -0.784 -1.935 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.860 0.504 -4.228 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.848 -1.247 -4.301 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.855 -0.689 -3.208 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.785 -1.261 -1.944 1.00 0.00 H new ATOM 394 N LEU A 26 -5.063 -2.388 -3.039 1.00 0.00 N ATOM 395 CA LEU A 26 -4.202 -3.397 -3.643 1.00 0.00 C ATOM 396 C LEU A 26 -4.892 -4.043 -4.828 1.00 0.00 C ATOM 397 O LEU A 26 -6.124 -4.049 -4.904 1.00 0.00 O ATOM 398 CB LEU A 26 -3.864 -4.504 -2.633 1.00 0.00 C ATOM 399 CG LEU A 26 -2.946 -4.142 -1.473 1.00 0.00 C ATOM 400 CD1 LEU A 26 -2.816 -5.322 -0.521 1.00 0.00 C ATOM 401 CD2 LEU A 26 -1.576 -3.751 -1.994 1.00 0.00 C ATOM 0 H LEU A 26 -5.317 -2.585 -2.071 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.289 -2.895 -3.964 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.800 -4.877 -2.217 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.407 -5.329 -3.179 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.378 -3.297 -0.937 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.158 -5.052 0.305 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.799 -5.584 -0.130 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.398 -6.176 -1.055 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.928 -3.494 -1.156 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.144 -4.587 -2.544 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.671 -2.891 -2.657 1.00 0.00 H new ATOM 413 N GLU A 27 -4.101 -4.652 -5.705 1.00 0.00 N ATOM 414 CA GLU A 27 -4.614 -5.402 -6.882 1.00 0.00 C ATOM 415 C GLU A 27 -5.526 -6.555 -6.389 1.00 0.00 C ATOM 416 O GLU A 27 -6.341 -7.097 -7.120 1.00 0.00 O ATOM 417 CB GLU A 27 -3.439 -6.021 -7.654 1.00 0.00 C ATOM 418 CG GLU A 27 -2.222 -5.116 -7.837 1.00 0.00 C ATOM 419 CD GLU A 27 -2.478 -3.835 -8.610 1.00 0.00 C ATOM 420 OE1 GLU A 27 -2.950 -2.842 -8.019 1.00 0.00 O ATOM 421 OE2 GLU A 27 -2.116 -3.768 -9.785 1.00 0.00 O ATOM 0 H GLU A 27 -3.083 -4.649 -5.634 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.168 -4.720 -7.527 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.122 -6.926 -7.135 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.794 -6.326 -8.638 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.832 -4.856 -6.853 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.443 -5.681 -8.349 1.00 0.00 H new ATOM 428 N ASN A 28 -5.341 -6.896 -5.123 1.00 0.00 N ATOM 429 CA ASN A 28 -6.080 -7.934 -4.416 1.00 0.00 C ATOM 430 C ASN A 28 -7.490 -7.453 -3.996 1.00 0.00 C ATOM 431 O ASN A 28 -8.314 -8.241 -3.561 1.00 0.00 O ATOM 432 CB ASN A 28 -5.224 -8.372 -3.187 1.00 0.00 C ATOM 433 CG ASN A 28 -5.944 -9.225 -2.141 1.00 0.00 C ATOM 434 OD1 ASN A 28 -6.460 -8.703 -1.151 1.00 0.00 O ATOM 435 ND2 ASN A 28 -5.974 -10.522 -2.341 1.00 0.00 N ATOM 0 H ASN A 28 -4.644 -6.439 -4.535 1.00 0.00 H new ATOM 0 HA ASN A 28 -6.246 -8.786 -5.075 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -4.361 -8.929 -3.550 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -4.842 -7.476 -2.697 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -6.435 -11.132 -1.666 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -5.536 -10.920 -3.172 1.00 0.00 H new ATOM 442 N GLY A 29 -7.770 -6.167 -4.179 1.00 0.00 N ATOM 443 CA GLY A 29 -9.075 -5.639 -3.804 1.00 0.00 C ATOM 444 C GLY A 29 -9.131 -5.260 -2.339 1.00 0.00 C ATOM 445 O GLY A 29 -10.189 -4.993 -1.788 1.00 0.00 O ATOM 0 H GLY A 29 -7.125 -5.484 -4.576 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.302 -4.765 -4.414 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.842 -6.383 -4.016 1.00 0.00 H new ATOM 449 N HIS A 30 -7.986 -5.258 -1.709 1.00 0.00 N ATOM 450 CA HIS A 30 -7.886 -4.941 -0.313 1.00 0.00 C ATOM 451 C HIS A 30 -7.561 -3.484 -0.219 1.00 0.00 C ATOM 452 O HIS A 30 -6.723 -3.000 -0.966 1.00 0.00 O ATOM 453 CB HIS A 30 -6.723 -5.699 0.300 1.00 0.00 C ATOM 454 CG HIS A 30 -6.769 -5.886 1.802 1.00 0.00 C ATOM 455 ND1 HIS A 30 -6.738 -4.850 2.722 1.00 0.00 N ATOM 456 CD2 HIS A 30 -6.833 -7.021 2.540 1.00 0.00 C ATOM 457 CE1 HIS A 30 -6.778 -5.342 3.938 1.00 0.00 C ATOM 458 NE2 HIS A 30 -6.836 -6.654 3.864 1.00 0.00 N ATOM 0 H HIS A 30 -7.094 -5.477 -2.153 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.813 -5.198 0.200 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -6.670 -6.682 -0.167 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -5.801 -5.176 0.047 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -6.691 -3.858 2.490 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.874 -8.030 2.157 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -6.765 -4.764 4.850 1.00 0.00 H new ATOM 467 N GLU A 31 -8.129 -2.822 0.714 1.00 0.00 N ATOM 468 CA GLU A 31 -7.851 -1.442 0.897 1.00 0.00 C ATOM 469 C GLU A 31 -6.807 -1.354 1.950 1.00 0.00 C ATOM 470 O GLU A 31 -6.822 -2.137 2.918 1.00 0.00 O ATOM 471 CB GLU A 31 -9.105 -0.640 1.267 1.00 0.00 C ATOM 472 CG GLU A 31 -9.755 -0.948 2.599 1.00 0.00 C ATOM 473 CD GLU A 31 -10.930 -0.029 2.836 1.00 0.00 C ATOM 474 OE1 GLU A 31 -10.719 1.218 2.850 1.00 0.00 O ATOM 475 OE2 GLU A 31 -12.049 -0.518 2.979 1.00 0.00 O ATOM 0 H GLU A 31 -8.799 -3.215 1.374 1.00 0.00 H new ATOM 0 HA GLU A 31 -7.499 -0.999 -0.035 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -8.845 0.418 1.255 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -9.848 -0.795 0.485 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.087 -1.986 2.617 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.027 -0.832 3.402 1.00 0.00 H new ATOM 482 N ILE A 32 -5.852 -0.542 1.729 1.00 0.00 N ATOM 483 CA ILE A 32 -4.753 -0.420 2.624 1.00 0.00 C ATOM 484 C ILE A 32 -4.454 1.033 2.868 1.00 0.00 C ATOM 485 O ILE A 32 -4.669 1.887 1.993 1.00 0.00 O ATOM 486 CB ILE A 32 -3.462 -1.115 2.061 1.00 0.00 C ATOM 487 CG1 ILE A 32 -3.079 -0.525 0.723 1.00 0.00 C ATOM 488 CG2 ILE A 32 -3.674 -2.609 1.907 1.00 0.00 C ATOM 489 CD1 ILE A 32 -1.729 -0.950 0.211 1.00 0.00 C ATOM 0 H ILE A 32 -5.801 0.069 0.914 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.033 -0.914 3.554 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.657 -0.942 2.775 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -3.835 -0.803 -0.011 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.097 0.562 0.802 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.766 -3.067 1.516 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.911 -3.045 2.878 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.498 -2.790 1.217 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.540 -0.478 -0.753 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.959 -0.647 0.920 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.709 -2.034 0.094 1.00 0.00 H new ATOM 501 N LEU A 33 -3.988 1.334 4.037 1.00 0.00 N ATOM 502 CA LEU A 33 -3.551 2.656 4.293 1.00 0.00 C ATOM 503 C LEU A 33 -2.072 2.581 4.218 1.00 0.00 C ATOM 504 O LEU A 33 -1.445 1.796 4.929 1.00 0.00 O ATOM 505 CB LEU A 33 -4.015 3.082 5.680 1.00 0.00 C ATOM 506 CG LEU A 33 -5.531 3.028 5.900 1.00 0.00 C ATOM 507 CD1 LEU A 33 -5.878 3.340 7.344 1.00 0.00 C ATOM 508 CD2 LEU A 33 -6.249 3.996 4.970 1.00 0.00 C ATOM 0 H LEU A 33 -3.903 0.685 4.819 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.949 3.387 3.589 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.532 2.444 6.420 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.672 4.100 5.865 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.864 2.016 5.672 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.959 3.296 7.476 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.402 2.610 7.998 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.522 4.339 7.596 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.323 3.939 5.145 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.903 5.011 5.164 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.036 3.731 3.934 1.00 0.00 H new ATOM 520 N ALA A 34 -1.504 3.357 3.385 1.00 0.00 N ATOM 521 CA ALA A 34 -0.094 3.266 3.187 1.00 0.00 C ATOM 522 C ALA A 34 0.547 4.605 3.333 1.00 0.00 C ATOM 523 O ALA A 34 -0.055 5.620 3.004 1.00 0.00 O ATOM 524 CB ALA A 34 0.200 2.639 1.838 1.00 0.00 C ATOM 0 H ALA A 34 -1.980 4.064 2.825 1.00 0.00 H new ATOM 0 HA ALA A 34 0.335 2.622 3.955 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.279 2.573 1.695 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.233 1.639 1.799 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.234 3.253 1.049 1.00 0.00 H new ATOM 530 N HIS A 35 1.745 4.625 3.848 1.00 0.00 N ATOM 531 CA HIS A 35 2.436 5.870 4.069 1.00 0.00 C ATOM 532 C HIS A 35 3.616 5.940 3.134 1.00 0.00 C ATOM 533 O HIS A 35 4.220 4.927 2.826 1.00 0.00 O ATOM 534 CB HIS A 35 2.935 5.956 5.519 1.00 0.00 C ATOM 535 CG HIS A 35 3.214 7.358 5.990 1.00 0.00 C ATOM 536 ND1 HIS A 35 4.382 8.050 5.730 1.00 0.00 N ATOM 537 CD2 HIS A 35 2.442 8.203 6.706 1.00 0.00 C ATOM 538 CE1 HIS A 35 4.302 9.246 6.268 1.00 0.00 C ATOM 539 NE2 HIS A 35 3.135 9.367 6.863 1.00 0.00 N ATOM 0 H HIS A 35 2.266 3.793 4.124 1.00 0.00 H new ATOM 0 HA HIS A 35 1.752 6.699 3.884 1.00 0.00 H new ATOM 0 HB2 HIS A 35 2.191 5.505 6.175 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.845 5.364 5.615 1.00 0.00 H new ATOM 0 HD1 HIS A 35 5.179 7.690 5.205 1.00 0.00 H new ATOM 0 HD2 HIS A 35 1.453 7.995 7.086 1.00 0.00 H new ATOM 0 HE1 HIS A 35 5.069 10.005 6.228 1.00 0.00 H new ATOM 0 HE2 HIS A 35 2.804 10.194 7.359 1.00 0.00 H new ATOM 548 N VAL A 36 3.954 7.110 2.700 1.00 0.00 N ATOM 549 CA VAL A 36 5.105 7.288 1.837 1.00 0.00 C ATOM 550 C VAL A 36 6.387 7.356 2.635 1.00 0.00 C ATOM 551 O VAL A 36 6.373 7.744 3.827 1.00 0.00 O ATOM 552 CB VAL A 36 4.994 8.487 0.875 1.00 0.00 C ATOM 553 CG1 VAL A 36 3.890 8.254 -0.132 1.00 0.00 C ATOM 554 CG2 VAL A 36 4.766 9.784 1.630 1.00 0.00 C ATOM 0 H VAL A 36 3.454 7.970 2.924 1.00 0.00 H new ATOM 0 HA VAL A 36 5.128 6.401 1.204 1.00 0.00 H new ATOM 0 HB VAL A 36 5.940 8.578 0.341 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.824 9.110 -0.804 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.108 7.355 -0.709 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.941 8.129 0.390 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.692 10.609 0.922 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.841 9.714 2.203 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.600 9.962 2.308 1.00 0.00 H new ATOM 564 N SER A 37 7.464 6.885 2.028 1.00 0.00 N ATOM 565 CA SER A 37 8.763 6.849 2.657 1.00 0.00 C ATOM 566 C SER A 37 9.233 8.270 2.950 1.00 0.00 C ATOM 567 O SER A 37 8.725 9.249 2.363 1.00 0.00 O ATOM 568 CB SER A 37 9.796 6.175 1.728 1.00 0.00 C ATOM 569 OG SER A 37 10.101 7.014 0.612 1.00 0.00 O ATOM 0 H SER A 37 7.455 6.515 1.077 1.00 0.00 H new ATOM 0 HA SER A 37 8.678 6.279 3.582 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.707 5.960 2.286 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.405 5.221 1.375 1.00 0.00 H new ATOM 0 HG SER A 37 10.758 6.568 0.038 1.00 0.00 H new ATOM 575 N GLY A 38 10.183 8.385 3.857 1.00 0.00 N ATOM 576 CA GLY A 38 10.738 9.665 4.198 1.00 0.00 C ATOM 577 C GLY A 38 11.350 10.368 3.001 1.00 0.00 C ATOM 578 O GLY A 38 11.332 11.587 2.937 1.00 0.00 O ATOM 0 H GLY A 38 10.583 7.599 4.369 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.957 10.294 4.625 1.00 0.00 H new ATOM 0 HA3 GLY A 38 11.499 9.535 4.967 1.00 0.00 H new ATOM 582 N LYS A 39 11.800 9.592 2.003 1.00 0.00 N ATOM 583 CA LYS A 39 12.468 10.178 0.862 1.00 0.00 C ATOM 584 C LYS A 39 11.435 10.779 -0.078 1.00 0.00 C ATOM 585 O LYS A 39 11.702 11.784 -0.758 1.00 0.00 O ATOM 586 CB LYS A 39 13.402 9.138 0.156 1.00 0.00 C ATOM 587 CG LYS A 39 14.225 9.691 -1.029 1.00 0.00 C ATOM 588 CD LYS A 39 13.418 9.754 -2.328 1.00 0.00 C ATOM 589 CE LYS A 39 13.957 10.811 -3.279 1.00 0.00 C ATOM 590 NZ LYS A 39 13.864 12.174 -2.674 1.00 0.00 N ATOM 0 H LYS A 39 11.710 8.576 1.974 1.00 0.00 H new ATOM 0 HA LYS A 39 13.120 10.985 1.197 1.00 0.00 H new ATOM 0 HB2 LYS A 39 14.090 8.730 0.896 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.791 8.309 -0.202 1.00 0.00 H new ATOM 0 HG2 LYS A 39 14.586 10.689 -0.781 1.00 0.00 H new ATOM 0 HG3 LYS A 39 15.103 9.063 -1.181 1.00 0.00 H new ATOM 0 HD2 LYS A 39 13.440 8.780 -2.817 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.375 9.971 -2.097 1.00 0.00 H new ATOM 0 HE2 LYS A 39 14.995 10.589 -3.525 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.396 10.785 -4.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.570 12.857 -3.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.165 12.165 -1.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 14.792 12.450 -2.295 1.00 0.00 H new ATOM 604 N ILE A 40 10.278 10.170 -0.117 1.00 0.00 N ATOM 605 CA ILE A 40 9.193 10.650 -0.929 1.00 0.00 C ATOM 606 C ILE A 40 8.474 11.824 -0.269 1.00 0.00 C ATOM 607 O ILE A 40 8.106 12.759 -0.943 1.00 0.00 O ATOM 608 CB ILE A 40 8.237 9.491 -1.362 1.00 0.00 C ATOM 609 CG1 ILE A 40 8.851 8.757 -2.564 1.00 0.00 C ATOM 610 CG2 ILE A 40 6.834 9.984 -1.685 1.00 0.00 C ATOM 611 CD1 ILE A 40 8.104 7.508 -2.988 1.00 0.00 C ATOM 0 H ILE A 40 10.063 9.326 0.414 1.00 0.00 H new ATOM 0 HA ILE A 40 9.614 11.043 -1.854 1.00 0.00 H new ATOM 0 HB ILE A 40 8.133 8.804 -0.522 1.00 0.00 H new ATOM 0 HG12 ILE A 40 8.894 9.444 -3.409 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.878 8.486 -2.321 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.211 9.140 -1.980 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.405 10.462 -0.805 1.00 0.00 H new ATOM 0 HG23 ILE A 40 6.880 10.704 -2.502 1.00 0.00 H new ATOM 0 HD11 ILE A 40 8.607 7.055 -3.842 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.083 6.798 -2.161 1.00 0.00 H new ATOM 0 HD13 ILE A 40 7.083 7.771 -3.266 1.00 0.00 H new ATOM 623 N ARG A 41 8.350 11.791 1.059 1.00 0.00 N ATOM 624 CA ARG A 41 7.731 12.903 1.805 1.00 0.00 C ATOM 625 C ARG A 41 8.554 14.198 1.614 1.00 0.00 C ATOM 626 O ARG A 41 8.015 15.288 1.549 1.00 0.00 O ATOM 627 CB ARG A 41 7.665 12.571 3.307 1.00 0.00 C ATOM 628 CG ARG A 41 6.975 13.651 4.139 1.00 0.00 C ATOM 629 CD ARG A 41 7.002 13.345 5.631 1.00 0.00 C ATOM 630 NE ARG A 41 8.375 13.322 6.188 1.00 0.00 N ATOM 631 CZ ARG A 41 8.680 13.483 7.500 1.00 0.00 C ATOM 632 NH1 ARG A 41 7.709 13.721 8.394 1.00 0.00 N ATOM 633 NH2 ARG A 41 9.957 13.423 7.908 1.00 0.00 N ATOM 0 H ARG A 41 8.665 11.016 1.642 1.00 0.00 H new ATOM 0 HA ARG A 41 6.722 13.049 1.420 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.136 11.627 3.440 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.677 12.424 3.684 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.462 14.610 3.959 1.00 0.00 H new ATOM 0 HG3 ARG A 41 5.940 13.752 3.811 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.412 14.093 6.161 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.527 12.380 5.808 1.00 0.00 H new ATOM 0 HE ARG A 41 9.147 13.174 5.538 1.00 0.00 H new ATOM 0 HH11 ARG A 41 6.738 13.781 8.088 1.00 0.00 H new ATOM 0 HH12 ARG A 41 7.942 13.842 9.380 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.701 13.256 7.231 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.183 13.544 8.895 1.00 0.00 H new ATOM 647 N MET A 42 9.872 14.037 1.569 1.00 0.00 N ATOM 648 CA MET A 42 10.814 15.152 1.360 1.00 0.00 C ATOM 649 C MET A 42 10.832 15.609 -0.090 1.00 0.00 C ATOM 650 O MET A 42 11.316 16.690 -0.408 1.00 0.00 O ATOM 651 CB MET A 42 12.239 14.749 1.755 1.00 0.00 C ATOM 652 CG MET A 42 12.457 14.494 3.231 1.00 0.00 C ATOM 653 SD MET A 42 14.124 13.892 3.570 1.00 0.00 S ATOM 654 CE MET A 42 14.078 13.721 5.348 1.00 0.00 C ATOM 0 H MET A 42 10.327 13.131 1.676 1.00 0.00 H new ATOM 0 HA MET A 42 10.469 15.971 1.992 1.00 0.00 H new ATOM 0 HB2 MET A 42 12.509 13.848 1.204 1.00 0.00 H new ATOM 0 HB3 MET A 42 12.923 15.535 1.435 1.00 0.00 H new ATOM 0 HG2 MET A 42 12.283 15.415 3.788 1.00 0.00 H new ATOM 0 HG3 MET A 42 11.728 13.765 3.585 1.00 0.00 H new ATOM 0 HE1 MET A 42 15.042 13.356 5.703 1.00 0.00 H new ATOM 0 HE2 MET A 42 13.867 14.690 5.801 1.00 0.00 H new ATOM 0 HE3 MET A 42 13.297 13.013 5.625 1.00 0.00 H new ATOM 664 N ASN A 43 10.349 14.775 -0.965 1.00 0.00 N ATOM 665 CA ASN A 43 10.477 15.020 -2.374 1.00 0.00 C ATOM 666 C ASN A 43 9.208 15.614 -2.898 1.00 0.00 C ATOM 667 O ASN A 43 8.129 15.310 -2.415 1.00 0.00 O ATOM 668 CB ASN A 43 10.714 13.706 -3.105 1.00 0.00 C ATOM 669 CG ASN A 43 11.385 13.860 -4.454 1.00 0.00 C ATOM 670 OD1 ASN A 43 12.613 13.820 -4.540 1.00 0.00 O ATOM 671 ND2 ASN A 43 10.618 14.006 -5.502 1.00 0.00 N ATOM 0 H ASN A 43 9.859 13.913 -0.726 1.00 0.00 H new ATOM 0 HA ASN A 43 11.313 15.701 -2.535 1.00 0.00 H new ATOM 0 HB2 ASN A 43 11.328 13.060 -2.478 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.758 13.202 -3.243 1.00 0.00 H new ATOM 0 HD21 ASN A 43 11.033 14.091 -6.430 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.604 14.035 -5.392 1.00 0.00 H new ATOM 678 N TYR A 44 9.326 16.437 -3.890 1.00 0.00 N ATOM 679 CA TYR A 44 8.170 16.964 -4.545 1.00 0.00 C ATOM 680 C TYR A 44 7.605 15.908 -5.486 1.00 0.00 C ATOM 681 O TYR A 44 7.970 15.827 -6.675 1.00 0.00 O ATOM 682 CB TYR A 44 8.502 18.243 -5.291 1.00 0.00 C ATOM 683 CG TYR A 44 8.933 19.376 -4.383 1.00 0.00 C ATOM 684 CD1 TYR A 44 7.991 20.132 -3.696 1.00 0.00 C ATOM 685 CD2 TYR A 44 10.276 19.689 -4.210 1.00 0.00 C ATOM 686 CE1 TYR A 44 8.374 21.164 -2.863 1.00 0.00 C ATOM 687 CE2 TYR A 44 10.667 20.720 -3.378 1.00 0.00 C ATOM 688 CZ TYR A 44 9.711 21.454 -2.707 1.00 0.00 C ATOM 689 OH TYR A 44 10.095 22.480 -1.879 1.00 0.00 O ATOM 0 H TYR A 44 10.217 16.761 -4.267 1.00 0.00 H new ATOM 0 HA TYR A 44 7.417 17.215 -3.798 1.00 0.00 H new ATOM 0 HB2 TYR A 44 9.297 18.040 -6.008 1.00 0.00 H new ATOM 0 HB3 TYR A 44 7.629 18.558 -5.863 1.00 0.00 H new ATOM 0 HD1 TYR A 44 6.941 19.908 -3.816 1.00 0.00 H new ATOM 0 HD2 TYR A 44 11.026 19.117 -4.735 1.00 0.00 H new ATOM 0 HE1 TYR A 44 7.629 21.741 -2.336 1.00 0.00 H new ATOM 0 HE2 TYR A 44 11.715 20.950 -3.254 1.00 0.00 H new ATOM 0 HH TYR A 44 11.072 22.552 -1.879 1.00 0.00 H new ATOM 699 N ILE A 45 6.822 15.035 -4.928 1.00 0.00 N ATOM 700 CA ILE A 45 6.204 13.978 -5.663 1.00 0.00 C ATOM 701 C ILE A 45 4.892 14.401 -6.283 1.00 0.00 C ATOM 702 O ILE A 45 4.370 15.466 -5.993 1.00 0.00 O ATOM 703 CB ILE A 45 6.024 12.675 -4.824 1.00 0.00 C ATOM 704 CG1 ILE A 45 5.488 12.940 -3.377 1.00 0.00 C ATOM 705 CG2 ILE A 45 7.325 11.891 -4.798 1.00 0.00 C ATOM 706 CD1 ILE A 45 4.073 13.485 -3.274 1.00 0.00 C ATOM 0 H ILE A 45 6.592 15.039 -3.934 1.00 0.00 H new ATOM 0 HA ILE A 45 6.897 13.745 -6.471 1.00 0.00 H new ATOM 0 HB ILE A 45 5.256 12.079 -5.317 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.537 12.006 -2.817 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.162 13.642 -2.885 1.00 0.00 H new ATOM 0 HG21 ILE A 45 7.191 10.983 -4.210 1.00 0.00 H new ATOM 0 HG22 ILE A 45 7.610 11.626 -5.816 1.00 0.00 H new ATOM 0 HG23 ILE A 45 8.109 12.501 -4.349 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.814 13.628 -2.225 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.012 14.440 -3.796 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.377 12.779 -3.727 1.00 0.00 H new ATOM 718 N ARG A 46 4.422 13.608 -7.183 1.00 0.00 N ATOM 719 CA ARG A 46 3.134 13.786 -7.776 1.00 0.00 C ATOM 720 C ARG A 46 2.396 12.484 -7.716 1.00 0.00 C ATOM 721 O ARG A 46 2.853 11.492 -8.286 1.00 0.00 O ATOM 722 CB ARG A 46 3.233 14.320 -9.211 1.00 0.00 C ATOM 723 CG ARG A 46 3.405 15.836 -9.301 1.00 0.00 C ATOM 724 CD ARG A 46 4.596 16.232 -10.158 1.00 0.00 C ATOM 725 NE ARG A 46 5.880 15.943 -9.491 1.00 0.00 N ATOM 726 CZ ARG A 46 7.058 15.766 -10.113 1.00 0.00 C ATOM 727 NH1 ARG A 46 7.117 15.730 -11.452 1.00 0.00 N ATOM 728 NH2 ARG A 46 8.173 15.622 -9.392 1.00 0.00 N ATOM 0 H ARG A 46 4.931 12.798 -7.538 1.00 0.00 H new ATOM 0 HA ARG A 46 2.582 14.540 -7.215 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.075 13.839 -9.709 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.334 14.034 -9.757 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.499 16.278 -9.716 1.00 0.00 H new ATOM 0 HG3 ARG A 46 3.530 16.245 -8.298 1.00 0.00 H new ATOM 0 HD2 ARG A 46 4.553 15.698 -11.107 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.539 17.296 -10.388 1.00 0.00 H new ATOM 0 HE ARG A 46 5.873 15.872 -8.474 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.265 15.837 -12.003 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.013 15.595 -11.920 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.128 15.647 -8.373 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.069 15.487 -9.860 1.00 0.00 H new ATOM 742 N ILE A 47 1.350 12.456 -6.939 1.00 0.00 N ATOM 743 CA ILE A 47 0.495 11.304 -6.836 1.00 0.00 C ATOM 744 C ILE A 47 -0.872 11.708 -7.319 1.00 0.00 C ATOM 745 O ILE A 47 -1.458 12.666 -6.803 1.00 0.00 O ATOM 746 CB ILE A 47 0.379 10.777 -5.375 1.00 0.00 C ATOM 747 CG1 ILE A 47 1.759 10.377 -4.808 1.00 0.00 C ATOM 748 CG2 ILE A 47 -0.602 9.600 -5.301 1.00 0.00 C ATOM 749 CD1 ILE A 47 2.445 9.235 -5.539 1.00 0.00 C ATOM 0 H ILE A 47 1.063 13.240 -6.353 1.00 0.00 H new ATOM 0 HA ILE A 47 0.922 10.500 -7.436 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.008 11.588 -4.759 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.412 11.249 -4.833 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.638 10.099 -3.761 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.669 9.246 -4.272 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.586 9.925 -5.638 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.249 8.791 -5.940 1.00 0.00 H new ATOM 0 HD11 ILE A 47 3.406 9.027 -5.069 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.818 8.345 -5.493 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.604 9.513 -6.581 1.00 0.00 H new ATOM 761 N LEU A 48 -1.341 11.040 -8.303 1.00 0.00 N ATOM 762 CA LEU A 48 -2.630 11.293 -8.851 1.00 0.00 C ATOM 763 C LEU A 48 -3.519 10.099 -8.530 1.00 0.00 C ATOM 764 O LEU A 48 -3.037 8.973 -8.537 1.00 0.00 O ATOM 765 CB LEU A 48 -2.506 11.445 -10.374 1.00 0.00 C ATOM 766 CG LEU A 48 -3.786 11.801 -11.129 1.00 0.00 C ATOM 767 CD1 LEU A 48 -4.217 13.234 -10.837 1.00 0.00 C ATOM 768 CD2 LEU A 48 -3.616 11.573 -12.620 1.00 0.00 C ATOM 0 H LEU A 48 -0.834 10.285 -8.764 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.056 12.205 -8.432 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.762 12.215 -10.581 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.119 10.510 -10.780 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.578 11.140 -10.777 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.130 13.459 -11.388 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.400 13.348 -9.769 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.429 13.921 -11.145 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.540 11.833 -13.136 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.804 12.197 -12.993 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.381 10.524 -12.803 1.00 0.00 H new ATOM 780 N PRO A 49 -4.785 10.309 -8.133 1.00 0.00 N ATOM 781 CA PRO A 49 -5.738 9.206 -8.004 1.00 0.00 C ATOM 782 C PRO A 49 -5.743 8.397 -9.303 1.00 0.00 C ATOM 783 O PRO A 49 -5.924 8.951 -10.395 1.00 0.00 O ATOM 784 CB PRO A 49 -7.063 9.933 -7.808 1.00 0.00 C ATOM 785 CG PRO A 49 -6.673 11.173 -7.097 1.00 0.00 C ATOM 786 CD PRO A 49 -5.380 11.595 -7.732 1.00 0.00 C ATOM 0 HA PRO A 49 -5.517 8.506 -7.198 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.546 10.151 -8.760 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -7.765 9.338 -7.223 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.435 11.945 -7.203 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -6.548 10.993 -6.029 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -5.543 12.250 -8.587 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.743 12.136 -7.033 1.00 0.00 H new ATOM 794 N GLY A 50 -5.527 7.114 -9.190 1.00 0.00 N ATOM 795 CA GLY A 50 -5.350 6.309 -10.365 1.00 0.00 C ATOM 796 C GLY A 50 -3.897 5.894 -10.528 1.00 0.00 C ATOM 797 O GLY A 50 -3.532 5.200 -11.489 1.00 0.00 O ATOM 0 H GLY A 50 -5.470 6.609 -8.305 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.980 5.422 -10.301 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.673 6.866 -11.244 1.00 0.00 H new ATOM 801 N ASP A 51 -3.044 6.382 -9.640 1.00 0.00 N ATOM 802 CA ASP A 51 -1.649 5.970 -9.624 1.00 0.00 C ATOM 803 C ASP A 51 -1.493 4.686 -8.901 1.00 0.00 C ATOM 804 O ASP A 51 -2.322 4.329 -8.056 1.00 0.00 O ATOM 805 CB ASP A 51 -0.698 7.014 -9.023 1.00 0.00 C ATOM 806 CG ASP A 51 -0.205 8.014 -10.028 1.00 0.00 C ATOM 807 OD1 ASP A 51 -0.052 7.639 -11.224 1.00 0.00 O ATOM 808 OD2 ASP A 51 0.131 9.156 -9.646 1.00 0.00 O ATOM 0 H ASP A 51 -3.293 7.063 -8.922 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.367 5.853 -10.670 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.210 7.541 -8.217 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.157 6.504 -8.578 1.00 0.00 H new ATOM 813 N LYS A 52 -0.460 3.989 -9.213 1.00 0.00 N ATOM 814 CA LYS A 52 -0.204 2.743 -8.599 1.00 0.00 C ATOM 815 C LYS A 52 1.020 2.886 -7.747 1.00 0.00 C ATOM 816 O LYS A 52 1.905 3.675 -8.061 1.00 0.00 O ATOM 817 CB LYS A 52 -0.018 1.660 -9.651 1.00 0.00 C ATOM 818 CG LYS A 52 -1.173 1.567 -10.648 1.00 0.00 C ATOM 819 CD LYS A 52 -1.055 0.354 -11.559 1.00 0.00 C ATOM 820 CE LYS A 52 -1.618 -0.923 -10.927 1.00 0.00 C ATOM 821 NZ LYS A 52 -1.031 -1.272 -9.614 1.00 0.00 N ATOM 0 H LYS A 52 0.233 4.271 -9.906 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.049 2.447 -7.977 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.906 1.850 -10.196 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.098 0.698 -9.152 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.116 1.519 -10.104 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.200 2.472 -11.254 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.581 0.554 -12.492 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.007 0.196 -11.812 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.696 -0.810 -10.810 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.458 -1.754 -11.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.029 -2.306 -9.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.055 -0.916 -9.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.596 -0.840 -8.855 1.00 0.00 H new ATOM 835 N VAL A 53 1.074 2.195 -6.668 1.00 0.00 N ATOM 836 CA VAL A 53 2.212 2.302 -5.805 1.00 0.00 C ATOM 837 C VAL A 53 2.672 0.952 -5.373 1.00 0.00 C ATOM 838 O VAL A 53 1.861 0.014 -5.222 1.00 0.00 O ATOM 839 CB VAL A 53 1.981 3.197 -4.539 1.00 0.00 C ATOM 840 CG1 VAL A 53 1.643 4.639 -4.907 1.00 0.00 C ATOM 841 CG2 VAL A 53 0.912 2.619 -3.627 1.00 0.00 C ATOM 0 H VAL A 53 0.350 1.548 -6.354 1.00 0.00 H new ATOM 0 HA VAL A 53 2.977 2.797 -6.403 1.00 0.00 H new ATOM 0 HB VAL A 53 2.925 3.205 -3.994 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.492 5.221 -3.998 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.463 5.070 -5.481 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.732 4.658 -5.506 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.782 3.269 -2.761 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.030 2.546 -4.171 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.216 1.627 -3.293 1.00 0.00 H new ATOM 851 N THR A 54 3.937 0.862 -5.160 1.00 0.00 N ATOM 852 CA THR A 54 4.543 -0.315 -4.695 1.00 0.00 C ATOM 853 C THR A 54 4.648 -0.163 -3.184 1.00 0.00 C ATOM 854 O THR A 54 5.259 0.804 -2.671 1.00 0.00 O ATOM 855 CB THR A 54 5.931 -0.453 -5.325 1.00 0.00 C ATOM 856 OG1 THR A 54 5.819 -0.194 -6.747 1.00 0.00 O ATOM 857 CG2 THR A 54 6.484 -1.856 -5.112 1.00 0.00 C ATOM 0 H THR A 54 4.589 1.632 -5.311 1.00 0.00 H new ATOM 0 HA THR A 54 3.972 -1.206 -4.957 1.00 0.00 H new ATOM 0 HB THR A 54 6.609 0.260 -4.856 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.972 -0.558 -7.080 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.471 -1.931 -5.568 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.561 -2.058 -4.044 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.816 -2.584 -5.572 1.00 0.00 H new ATOM 865 N VAL A 55 3.982 -1.036 -2.490 1.00 0.00 N ATOM 866 CA VAL A 55 3.891 -0.965 -1.072 1.00 0.00 C ATOM 867 C VAL A 55 4.649 -2.115 -0.419 1.00 0.00 C ATOM 868 O VAL A 55 4.494 -3.267 -0.805 1.00 0.00 O ATOM 869 CB VAL A 55 2.380 -0.946 -0.599 1.00 0.00 C ATOM 870 CG1 VAL A 55 1.625 -2.246 -0.920 1.00 0.00 C ATOM 871 CG2 VAL A 55 2.268 -0.622 0.868 1.00 0.00 C ATOM 0 H VAL A 55 3.483 -1.824 -2.902 1.00 0.00 H new ATOM 0 HA VAL A 55 4.354 -0.031 -0.754 1.00 0.00 H new ATOM 0 HB VAL A 55 1.901 -0.154 -1.174 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.596 -2.165 -0.569 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.629 -2.413 -1.997 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.114 -3.083 -0.422 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.218 -0.617 1.160 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.803 -1.374 1.449 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.702 0.360 1.058 1.00 0.00 H new ATOM 881 N GLU A 56 5.446 -1.798 0.557 1.00 0.00 N ATOM 882 CA GLU A 56 6.129 -2.794 1.325 1.00 0.00 C ATOM 883 C GLU A 56 5.243 -3.053 2.523 1.00 0.00 C ATOM 884 O GLU A 56 4.788 -2.114 3.190 1.00 0.00 O ATOM 885 CB GLU A 56 7.530 -2.295 1.782 1.00 0.00 C ATOM 886 CG GLU A 56 7.483 -1.060 2.678 1.00 0.00 C ATOM 887 CD GLU A 56 8.815 -0.596 3.195 1.00 0.00 C ATOM 888 OE1 GLU A 56 9.357 -1.209 4.134 1.00 0.00 O ATOM 889 OE2 GLU A 56 9.282 0.467 2.767 1.00 0.00 O ATOM 0 H GLU A 56 5.641 -0.839 0.843 1.00 0.00 H new ATOM 0 HA GLU A 56 6.303 -3.696 0.739 1.00 0.00 H new ATOM 0 HB2 GLU A 56 8.036 -3.100 2.315 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.130 -2.070 0.901 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.023 -0.244 2.121 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.835 -1.272 3.528 1.00 0.00 H new ATOM 896 N MET A 57 4.900 -4.275 2.736 1.00 0.00 N ATOM 897 CA MET A 57 4.033 -4.604 3.826 1.00 0.00 C ATOM 898 C MET A 57 4.258 -5.975 4.329 1.00 0.00 C ATOM 899 O MET A 57 4.758 -6.854 3.613 1.00 0.00 O ATOM 900 CB MET A 57 2.553 -4.429 3.483 1.00 0.00 C ATOM 901 CG MET A 57 2.112 -5.062 2.194 1.00 0.00 C ATOM 902 SD MET A 57 0.322 -5.265 2.107 1.00 0.00 S ATOM 903 CE MET A 57 -0.238 -3.654 2.618 1.00 0.00 C ATOM 0 H MET A 57 5.204 -5.069 2.172 1.00 0.00 H new ATOM 0 HA MET A 57 4.288 -3.893 4.612 1.00 0.00 H new ATOM 0 HB2 MET A 57 1.957 -4.846 4.295 1.00 0.00 H new ATOM 0 HB3 MET A 57 2.331 -3.363 3.439 1.00 0.00 H new ATOM 0 HG2 MET A 57 2.447 -4.448 1.358 1.00 0.00 H new ATOM 0 HG3 MET A 57 2.591 -6.035 2.087 1.00 0.00 H new ATOM 0 HE1 MET A 57 -0.975 -3.761 3.414 1.00 0.00 H new ATOM 0 HE2 MET A 57 0.609 -3.073 2.984 1.00 0.00 H new ATOM 0 HE3 MET A 57 -0.691 -3.140 1.770 1.00 0.00 H new ATOM 913 N SER A 58 3.922 -6.154 5.557 1.00 0.00 N ATOM 914 CA SER A 58 3.971 -7.389 6.182 1.00 0.00 C ATOM 915 C SER A 58 2.681 -8.145 5.840 1.00 0.00 C ATOM 916 O SER A 58 1.579 -7.631 6.060 1.00 0.00 O ATOM 917 CB SER A 58 4.101 -7.113 7.669 1.00 0.00 C ATOM 918 OG SER A 58 3.224 -6.048 8.040 1.00 0.00 O ATOM 0 H SER A 58 3.595 -5.401 6.162 1.00 0.00 H new ATOM 0 HA SER A 58 4.810 -8.005 5.858 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.859 -8.011 8.238 1.00 0.00 H new ATOM 0 HB3 SER A 58 5.131 -6.850 7.911 1.00 0.00 H new ATOM 0 HG SER A 58 2.344 -6.192 7.633 1.00 0.00 H new ATOM 924 N PRO A 59 2.794 -9.359 5.264 1.00 0.00 N ATOM 925 CA PRO A 59 1.632 -10.200 4.891 1.00 0.00 C ATOM 926 C PRO A 59 0.764 -10.566 6.094 1.00 0.00 C ATOM 927 O PRO A 59 -0.318 -11.098 5.944 1.00 0.00 O ATOM 928 CB PRO A 59 2.275 -11.460 4.304 1.00 0.00 C ATOM 929 CG PRO A 59 3.628 -11.026 3.880 1.00 0.00 C ATOM 930 CD PRO A 59 4.062 -10.003 4.878 1.00 0.00 C ATOM 0 HA PRO A 59 0.965 -9.681 4.203 1.00 0.00 H new ATOM 0 HB2 PRO A 59 2.328 -12.259 5.043 1.00 0.00 H new ATOM 0 HB3 PRO A 59 1.699 -11.843 3.461 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.319 -11.868 3.858 1.00 0.00 H new ATOM 0 HG3 PRO A 59 3.606 -10.606 2.874 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.560 -10.459 5.734 1.00 0.00 H new ATOM 0 HD3 PRO A 59 4.762 -9.289 4.445 1.00 0.00 H new ATOM 938 N TYR A 60 1.289 -10.318 7.279 1.00 0.00 N ATOM 939 CA TYR A 60 0.575 -10.583 8.505 1.00 0.00 C ATOM 940 C TYR A 60 -0.428 -9.442 8.788 1.00 0.00 C ATOM 941 O TYR A 60 -1.341 -9.600 9.587 1.00 0.00 O ATOM 942 CB TYR A 60 1.582 -10.748 9.664 1.00 0.00 C ATOM 943 CG TYR A 60 0.971 -11.198 10.980 1.00 0.00 C ATOM 944 CD1 TYR A 60 0.632 -12.529 11.185 1.00 0.00 C ATOM 945 CD2 TYR A 60 0.731 -10.294 12.012 1.00 0.00 C ATOM 946 CE1 TYR A 60 0.072 -12.948 12.376 1.00 0.00 C ATOM 947 CE2 TYR A 60 0.170 -10.706 13.205 1.00 0.00 C ATOM 948 CZ TYR A 60 -0.157 -12.034 13.381 1.00 0.00 C ATOM 949 OH TYR A 60 -0.717 -12.450 14.569 1.00 0.00 O ATOM 0 H TYR A 60 2.222 -9.928 7.414 1.00 0.00 H new ATOM 0 HA TYR A 60 0.009 -11.510 8.409 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.342 -11.471 9.366 1.00 0.00 H new ATOM 0 HB3 TYR A 60 2.091 -9.797 9.822 1.00 0.00 H new ATOM 0 HD1 TYR A 60 0.809 -13.249 10.400 1.00 0.00 H new ATOM 0 HD2 TYR A 60 0.988 -9.254 11.877 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -0.185 -13.987 12.519 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.011 -9.992 13.995 1.00 0.00 H new ATOM 0 HH TYR A 60 -0.811 -11.684 15.172 1.00 0.00 H new ATOM 959 N ASP A 61 -0.254 -8.303 8.118 1.00 0.00 N ATOM 960 CA ASP A 61 -1.194 -7.194 8.282 1.00 0.00 C ATOM 961 C ASP A 61 -2.017 -7.094 7.028 1.00 0.00 C ATOM 962 O ASP A 61 -3.232 -7.321 7.020 1.00 0.00 O ATOM 963 CB ASP A 61 -0.484 -5.836 8.507 1.00 0.00 C ATOM 964 CG ASP A 61 -1.450 -4.834 8.992 1.00 0.00 C ATOM 965 OD1 ASP A 61 -2.053 -4.184 8.150 1.00 0.00 O ATOM 966 OD2 ASP A 61 -1.587 -4.642 10.223 1.00 0.00 O ATOM 0 H ASP A 61 0.513 -8.125 7.469 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.803 -7.398 9.163 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.323 -5.954 9.230 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.031 -5.495 7.576 1.00 0.00 H new ATOM 971 N LEU A 62 -1.312 -6.751 5.957 1.00 0.00 N ATOM 972 CA LEU A 62 -1.837 -6.600 4.609 1.00 0.00 C ATOM 973 C LEU A 62 -2.910 -5.491 4.522 1.00 0.00 C ATOM 974 O LEU A 62 -3.615 -5.384 3.510 1.00 0.00 O ATOM 975 CB LEU A 62 -2.414 -7.922 4.075 1.00 0.00 C ATOM 976 CG LEU A 62 -2.391 -8.087 2.547 1.00 0.00 C ATOM 977 CD1 LEU A 62 -1.014 -8.532 2.090 1.00 0.00 C ATOM 978 CD2 LEU A 62 -3.470 -9.047 2.077 1.00 0.00 C ATOM 0 H LEU A 62 -0.311 -6.562 6.009 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.993 -6.307 3.985 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.857 -8.747 4.520 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.445 -8.012 4.417 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.606 -7.120 2.093 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.010 -8.646 1.006 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.275 -7.785 2.380 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.767 -9.486 2.556 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.426 -9.141 0.992 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.311 -10.024 2.533 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.449 -8.666 2.369 1.00 0.00 H new ATOM 990 N THR A 63 -3.060 -4.677 5.559 1.00 0.00 N ATOM 991 CA THR A 63 -3.993 -3.600 5.485 1.00 0.00 C ATOM 992 C THR A 63 -3.240 -2.265 5.540 1.00 0.00 C ATOM 993 O THR A 63 -3.836 -1.182 5.415 1.00 0.00 O ATOM 994 CB THR A 63 -5.140 -3.701 6.571 1.00 0.00 C ATOM 995 OG1 THR A 63 -6.329 -3.082 6.060 1.00 0.00 O ATOM 996 CG2 THR A 63 -4.786 -3.016 7.892 1.00 0.00 C ATOM 0 H THR A 63 -2.550 -4.753 6.439 1.00 0.00 H new ATOM 0 HA THR A 63 -4.512 -3.664 4.529 1.00 0.00 H new ATOM 0 HB THR A 63 -5.283 -4.763 6.772 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.043 -3.143 6.729 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.615 -3.123 8.591 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.894 -3.478 8.314 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.596 -1.958 7.714 1.00 0.00 H new ATOM 1004 N ARG A 64 -1.922 -2.347 5.713 1.00 0.00 N ATOM 1005 CA ARG A 64 -1.079 -1.181 5.759 1.00 0.00 C ATOM 1006 C ARG A 64 0.338 -1.495 5.375 1.00 0.00 C ATOM 1007 O ARG A 64 0.796 -2.623 5.544 1.00 0.00 O ATOM 1008 CB ARG A 64 -1.167 -0.529 7.113 1.00 0.00 C ATOM 1009 CG ARG A 64 -0.958 -1.444 8.246 1.00 0.00 C ATOM 1010 CD ARG A 64 -1.678 -0.934 9.457 1.00 0.00 C ATOM 1011 NE ARG A 64 -1.814 -2.005 10.423 1.00 0.00 N ATOM 1012 CZ ARG A 64 -2.061 -1.927 11.708 1.00 0.00 C ATOM 1013 NH1 ARG A 64 -2.208 -0.743 12.315 1.00 0.00 N ATOM 1014 NH2 ARG A 64 -2.160 -3.059 12.389 1.00 0.00 N ATOM 0 H ARG A 64 -1.421 -3.228 5.824 1.00 0.00 H new ATOM 0 HA ARG A 64 -1.443 -0.470 5.017 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -0.427 0.270 7.166 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -2.147 -0.063 7.215 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -1.319 -2.440 7.991 1.00 0.00 H new ATOM 0 HG3 ARG A 64 0.107 -1.536 8.458 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -1.129 -0.101 9.896 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -2.661 -0.555 9.177 1.00 0.00 H new ATOM 0 HE ARG A 64 -1.702 -2.949 10.053 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -2.128 0.120 11.776 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -2.400 -0.703 13.316 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -2.045 -3.953 11.912 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -2.351 -3.037 13.391 1.00 0.00 H new ATOM 1028 N GLY A 65 1.016 -0.508 4.852 1.00 0.00 N ATOM 1029 CA GLY A 65 2.364 -0.674 4.398 1.00 0.00 C ATOM 1030 C GLY A 65 2.997 0.673 4.112 1.00 0.00 C ATOM 1031 O GLY A 65 2.431 1.722 4.474 1.00 0.00 O ATOM 0 H GLY A 65 0.645 0.434 4.730 1.00 0.00 H new ATOM 0 HA2 GLY A 65 2.946 -1.203 5.153 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.378 -1.288 3.497 1.00 0.00 H new ATOM 1035 N ARG A 66 4.123 0.666 3.447 1.00 0.00 N ATOM 1036 CA ARG A 66 4.803 1.889 3.069 1.00 0.00 C ATOM 1037 C ARG A 66 5.121 1.903 1.575 1.00 0.00 C ATOM 1038 O ARG A 66 5.385 0.876 0.990 1.00 0.00 O ATOM 1039 CB ARG A 66 6.078 2.102 3.908 1.00 0.00 C ATOM 1040 CG ARG A 66 6.948 3.254 3.415 1.00 0.00 C ATOM 1041 CD ARG A 66 8.132 3.516 4.308 1.00 0.00 C ATOM 1042 NE ARG A 66 8.940 2.315 4.534 1.00 0.00 N ATOM 1043 CZ ARG A 66 9.628 1.986 5.638 1.00 0.00 C ATOM 1044 NH1 ARG A 66 9.742 2.852 6.657 1.00 0.00 N ATOM 1045 NH2 ARG A 66 10.191 0.782 5.720 1.00 0.00 N ATOM 0 H ARG A 66 4.599 -0.186 3.150 1.00 0.00 H new ATOM 0 HA ARG A 66 4.128 2.719 3.275 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.794 2.289 4.944 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.666 1.184 3.900 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.301 3.031 2.408 1.00 0.00 H new ATOM 0 HG3 ARG A 66 6.342 4.158 3.348 1.00 0.00 H new ATOM 0 HD2 ARG A 66 8.755 4.291 3.862 1.00 0.00 H new ATOM 0 HD3 ARG A 66 7.782 3.901 5.266 1.00 0.00 H new ATOM 0 HE ARG A 66 8.985 1.651 3.761 1.00 0.00 H new ATOM 0 HH11 ARG A 66 9.303 3.771 6.597 1.00 0.00 H new ATOM 0 HH12 ARG A 66 10.267 2.591 7.492 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.097 0.121 4.949 1.00 0.00 H new ATOM 0 HH22 ARG A 66 10.716 0.520 6.554 1.00 0.00 H new ATOM 1059 N ILE A 67 5.042 3.071 0.977 1.00 0.00 N ATOM 1060 CA ILE A 67 5.375 3.259 -0.422 1.00 0.00 C ATOM 1061 C ILE A 67 6.876 3.317 -0.614 1.00 0.00 C ATOM 1062 O ILE A 67 7.572 4.151 0.018 1.00 0.00 O ATOM 1063 CB ILE A 67 4.737 4.559 -1.027 1.00 0.00 C ATOM 1064 CG1 ILE A 67 3.255 4.397 -1.291 1.00 0.00 C ATOM 1065 CG2 ILE A 67 5.460 5.046 -2.263 1.00 0.00 C ATOM 1066 CD1 ILE A 67 2.403 4.431 -0.057 1.00 0.00 C ATOM 0 H ILE A 67 4.743 3.924 1.449 1.00 0.00 H new ATOM 0 HA ILE A 67 4.961 2.400 -0.949 1.00 0.00 H new ATOM 0 HB ILE A 67 4.856 5.330 -0.265 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.929 5.188 -1.966 1.00 0.00 H new ATOM 0 HG13 ILE A 67 3.091 3.451 -1.806 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.974 5.947 -2.637 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.497 5.270 -2.013 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.430 4.273 -3.030 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.356 4.308 -0.334 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.699 3.622 0.612 1.00 0.00 H new ATOM 0 HD13 ILE A 67 2.534 5.387 0.450 1.00 0.00 H new ATOM 1078 N THR A 68 7.361 2.460 -1.466 1.00 0.00 N ATOM 1079 CA THR A 68 8.752 2.452 -1.828 1.00 0.00 C ATOM 1080 C THR A 68 8.936 3.043 -3.235 1.00 0.00 C ATOM 1081 O THR A 68 9.981 3.620 -3.555 1.00 0.00 O ATOM 1082 CB THR A 68 9.279 1.009 -1.817 1.00 0.00 C ATOM 1083 OG1 THR A 68 8.370 0.174 -2.558 1.00 0.00 O ATOM 1084 CG2 THR A 68 9.406 0.486 -0.404 1.00 0.00 C ATOM 0 H THR A 68 6.803 1.744 -1.931 1.00 0.00 H new ATOM 0 HA THR A 68 9.306 3.054 -1.108 1.00 0.00 H new ATOM 0 HB THR A 68 10.268 0.994 -2.275 1.00 0.00 H new ATOM 0 HG1 THR A 68 8.836 -0.637 -2.852 1.00 0.00 H new ATOM 0 HG21 THR A 68 9.781 -0.537 -0.427 1.00 0.00 H new ATOM 0 HG22 THR A 68 10.099 1.114 0.156 1.00 0.00 H new ATOM 0 HG23 THR A 68 8.429 0.504 0.080 1.00 0.00 H new ATOM 1092 N TYR A 69 7.879 2.974 -4.035 1.00 0.00 N ATOM 1093 CA TYR A 69 7.916 3.401 -5.413 1.00 0.00 C ATOM 1094 C TYR A 69 6.497 3.697 -5.886 1.00 0.00 C ATOM 1095 O TYR A 69 5.531 3.270 -5.249 1.00 0.00 O ATOM 1096 CB TYR A 69 8.508 2.249 -6.247 1.00 0.00 C ATOM 1097 CG TYR A 69 8.694 2.527 -7.732 1.00 0.00 C ATOM 1098 CD1 TYR A 69 9.677 3.398 -8.182 1.00 0.00 C ATOM 1099 CD2 TYR A 69 7.884 1.907 -8.680 1.00 0.00 C ATOM 1100 CE1 TYR A 69 9.847 3.647 -9.531 1.00 0.00 C ATOM 1101 CE2 TYR A 69 8.049 2.150 -10.030 1.00 0.00 C ATOM 1102 CZ TYR A 69 9.030 3.021 -10.450 1.00 0.00 C ATOM 1103 OH TYR A 69 9.196 3.269 -11.796 1.00 0.00 O ATOM 0 H TYR A 69 6.971 2.617 -3.737 1.00 0.00 H new ATOM 0 HA TYR A 69 8.522 4.301 -5.522 1.00 0.00 H new ATOM 0 HB2 TYR A 69 9.476 1.981 -5.824 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.861 1.379 -6.139 1.00 0.00 H new ATOM 0 HD1 TYR A 69 10.320 3.889 -7.466 1.00 0.00 H new ATOM 0 HD2 TYR A 69 7.113 1.224 -8.354 1.00 0.00 H new ATOM 0 HE1 TYR A 69 10.616 4.328 -9.864 1.00 0.00 H new ATOM 0 HE2 TYR A 69 7.413 1.660 -10.752 1.00 0.00 H new ATOM 0 HH TYR A 69 8.542 2.749 -12.308 1.00 0.00 H new ATOM 1113 N ARG A 70 6.371 4.453 -6.965 1.00 0.00 N ATOM 1114 CA ARG A 70 5.090 4.680 -7.572 1.00 0.00 C ATOM 1115 C ARG A 70 5.117 4.401 -9.066 1.00 0.00 C ATOM 1116 O ARG A 70 5.981 4.899 -9.791 1.00 0.00 O ATOM 1117 CB ARG A 70 4.411 6.042 -7.185 1.00 0.00 C ATOM 1118 CG ARG A 70 5.176 7.391 -7.378 1.00 0.00 C ATOM 1119 CD ARG A 70 5.520 7.766 -8.836 1.00 0.00 C ATOM 1120 NE ARG A 70 4.523 7.300 -9.817 1.00 0.00 N ATOM 1121 CZ ARG A 70 3.313 7.826 -10.097 1.00 0.00 C ATOM 1122 NH1 ARG A 70 2.869 8.935 -9.502 1.00 0.00 N ATOM 1123 NH2 ARG A 70 2.549 7.222 -10.988 1.00 0.00 N ATOM 0 H ARG A 70 7.150 4.917 -7.432 1.00 0.00 H new ATOM 0 HA ARG A 70 4.419 3.942 -7.132 1.00 0.00 H new ATOM 0 HB2 ARG A 70 3.484 6.113 -7.754 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.134 5.976 -6.133 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.575 8.192 -6.949 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.103 7.346 -6.806 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.612 8.849 -8.911 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.492 7.345 -9.091 1.00 0.00 H new ATOM 0 HE ARG A 70 4.782 6.472 -10.354 1.00 0.00 H new ATOM 0 HH11 ARG A 70 3.450 9.411 -8.812 1.00 0.00 H new ATOM 0 HH12 ARG A 70 1.949 9.306 -9.737 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.877 6.374 -11.450 1.00 0.00 H new ATOM 0 HH22 ARG A 70 1.630 7.603 -11.214 1.00 0.00 H new ATOM 1137 N TYR A 71 4.210 3.593 -9.498 1.00 0.00 N ATOM 1138 CA TYR A 71 4.078 3.197 -10.875 1.00 0.00 C ATOM 1139 C TYR A 71 2.871 3.924 -11.495 1.00 0.00 C ATOM 1140 O TYR A 71 1.934 4.291 -10.793 1.00 0.00 O ATOM 1141 CB TYR A 71 3.930 1.664 -10.955 1.00 0.00 C ATOM 1142 CG TYR A 71 3.837 1.105 -12.359 1.00 0.00 C ATOM 1143 CD1 TYR A 71 4.960 1.007 -13.168 1.00 0.00 C ATOM 1144 CD2 TYR A 71 2.624 0.683 -12.870 1.00 0.00 C ATOM 1145 CE1 TYR A 71 4.869 0.502 -14.452 1.00 0.00 C ATOM 1146 CE2 TYR A 71 2.522 0.180 -14.148 1.00 0.00 C ATOM 1147 CZ TYR A 71 3.644 0.091 -14.936 1.00 0.00 C ATOM 1148 OH TYR A 71 3.542 -0.405 -16.215 1.00 0.00 O ATOM 0 H TYR A 71 3.511 3.170 -8.887 1.00 0.00 H new ATOM 0 HA TYR A 71 4.967 3.475 -11.441 1.00 0.00 H new ATOM 0 HB2 TYR A 71 4.781 1.205 -10.452 1.00 0.00 H new ATOM 0 HB3 TYR A 71 3.037 1.370 -10.403 1.00 0.00 H new ATOM 0 HD1 TYR A 71 5.919 1.330 -12.790 1.00 0.00 H new ATOM 0 HD2 TYR A 71 1.739 0.749 -12.255 1.00 0.00 H new ATOM 0 HE1 TYR A 71 5.751 0.430 -15.072 1.00 0.00 H new ATOM 0 HE2 TYR A 71 1.564 -0.143 -14.529 1.00 0.00 H new ATOM 0 HH TYR A 71 2.611 -0.650 -16.398 1.00 0.00 H new ATOM 1158 N LYS A 72 2.926 4.219 -12.761 1.00 0.00 N ATOM 1159 CA LYS A 72 1.799 4.838 -13.415 1.00 0.00 C ATOM 1160 C LYS A 72 0.927 3.758 -13.993 1.00 0.00 C ATOM 1161 O LYS A 72 -0.178 3.570 -13.466 1.00 0.00 O ATOM 1162 CB LYS A 72 2.224 5.826 -14.501 1.00 0.00 C ATOM 1163 CG LYS A 72 1.069 6.467 -15.322 1.00 0.00 C ATOM 1164 CD LYS A 72 0.153 7.440 -14.528 1.00 0.00 C ATOM 1165 CE LYS A 72 -1.223 6.845 -14.103 1.00 0.00 C ATOM 1166 NZ LYS A 72 -1.161 5.933 -12.939 1.00 0.00 N ATOM 1167 OXT LYS A 72 1.362 3.104 -14.926 1.00 0.00 O ATOM 0 H LYS A 72 3.731 4.044 -13.362 1.00 0.00 H new ATOM 0 HA LYS A 72 1.246 5.416 -12.675 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.799 6.625 -14.034 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.894 5.313 -15.191 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.500 7.006 -16.165 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.452 5.669 -15.736 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.683 7.767 -13.633 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.023 8.327 -15.136 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.904 7.664 -13.871 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.649 6.306 -14.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.080 5.929 -12.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.937 4.971 -13.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.423 6.258 -12.282 1.00 0.00 H new TER 1181 LYS A 72