USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 532 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 4 MET CE :methyl -173:sc= -0.311 (180deg=-0.534) USER MOD Set 1.2: A 60 THR OG1 : rot 180:sc= -0.0704 USER MOD Set 2.1: A 37 LYS NZ :NH3+ -153:sc= 1.03 (180deg=-0.00299) USER MOD Set 2.2: A 45 GLN : amide:sc= 1.08 K(o=2.1,f=-11!) USER MOD Set 3.1: A 12 HIS : no HE2:sc= -0.289 K(o=-0.29,f=-1.4) USER MOD Set 3.2: A 28 MET CE :methyl 159:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -172:sc= 0 (180deg=-0.119) USER MOD Single : A 2 LYS NZ :NH3+ -147:sc= -0.871 (180deg=-2.2!) USER MOD Single : A 7 LYS NZ :NH3+ -162:sc= 1.3 (180deg=1.16) USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0733 USER MOD Single : A 10 THR OG1 : rot -5:sc= 0.859 USER MOD Single : A 13 SER OG : rot 180:sc= -0.106 USER MOD Single : A 15 TYR OH : rot -3:sc= 1.03 USER MOD Single : A 18 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0517) USER MOD Single : A 19 LYS NZ :NH3+ -130:sc= -0.0307 (180deg=-1.18) USER MOD Single : A 30 ASN : amide:sc= -0.242 X(o=-0.24,f=-0.52) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.639 X(o=-0.64,f=-0.79) USER MOD Single : A 51 MET CE :methyl -130:sc= 0 (180deg=-0.861) USER MOD Single : A 55 THR OG1 : rot 89:sc= 0.135 USER MOD Single : A 65 LYS NZ :NH3+ -162:sc= -0.0316 (180deg=-0.305) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.683 0.754 -1.812 1.00 0.00 N ATOM 2 CA MET A 1 2.818 0.083 -0.815 1.00 0.00 C ATOM 3 C MET A 1 2.795 -1.421 -1.072 1.00 0.00 C ATOM 4 O MET A 1 2.202 -1.881 -2.049 1.00 0.00 O ATOM 5 CB MET A 1 1.396 0.655 -0.863 1.00 0.00 C ATOM 6 CG MET A 1 1.326 2.145 -0.561 1.00 0.00 C ATOM 7 SD MET A 1 2.010 2.560 1.056 1.00 0.00 S ATOM 8 CE MET A 1 1.733 4.331 1.099 1.00 0.00 C ATOM 0 H1 MET A 1 3.802 1.754 -1.551 1.00 0.00 H new ATOM 0 H2 MET A 1 4.613 0.288 -1.834 1.00 0.00 H new ATOM 0 H3 MET A 1 3.242 0.692 -2.752 1.00 0.00 H new ATOM 0 HA MET A 1 3.226 0.265 0.179 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.974 0.473 -1.851 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.774 0.118 -0.147 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.867 2.694 -1.332 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.287 2.472 -0.607 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.104 4.735 2.041 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.260 4.802 0.269 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.666 4.535 1.013 1.00 0.00 H new ATOM 18 N LYS A 2 3.433 -2.176 -0.183 1.00 0.00 N ATOM 19 CA LYS A 2 3.632 -3.610 -0.375 1.00 0.00 C ATOM 20 C LYS A 2 2.460 -4.415 0.190 1.00 0.00 C ATOM 21 O LYS A 2 2.227 -4.420 1.404 1.00 0.00 O ATOM 22 CB LYS A 2 4.937 -4.042 0.310 1.00 0.00 C ATOM 23 CG LYS A 2 5.305 -5.508 0.088 1.00 0.00 C ATOM 24 CD LYS A 2 5.763 -5.770 -1.342 1.00 0.00 C ATOM 25 CE LYS A 2 6.094 -7.241 -1.565 1.00 0.00 C ATOM 26 NZ LYS A 2 6.716 -7.474 -2.895 1.00 0.00 N ATOM 0 H LYS A 2 3.825 -1.814 0.686 1.00 0.00 H new ATOM 0 HA LYS A 2 3.691 -3.807 -1.445 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.751 -3.415 -0.055 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.850 -3.859 1.381 1.00 0.00 H new ATOM 0 HG2 LYS A 2 6.097 -5.792 0.781 1.00 0.00 H new ATOM 0 HG3 LYS A 2 4.444 -6.137 0.314 1.00 0.00 H new ATOM 0 HD2 LYS A 2 4.981 -5.463 -2.037 1.00 0.00 H new ATOM 0 HD3 LYS A 2 6.641 -5.162 -1.561 1.00 0.00 H new ATOM 0 HE2 LYS A 2 6.771 -7.583 -0.783 1.00 0.00 H new ATOM 0 HE3 LYS A 2 5.184 -7.835 -1.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 6.432 -8.408 -3.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 6.401 -6.739 -3.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 7.751 -7.438 -2.805 1.00 0.00 H new ATOM 40 N VAL A 3 1.727 -5.091 -0.691 1.00 0.00 N ATOM 41 CA VAL A 3 0.653 -5.990 -0.276 1.00 0.00 C ATOM 42 C VAL A 3 0.540 -7.160 -1.254 1.00 0.00 C ATOM 43 O VAL A 3 0.717 -6.988 -2.463 1.00 0.00 O ATOM 44 CB VAL A 3 -0.712 -5.255 -0.183 1.00 0.00 C ATOM 45 CG1 VAL A 3 -1.252 -4.895 -1.568 1.00 0.00 C ATOM 46 CG2 VAL A 3 -1.726 -6.085 0.601 1.00 0.00 C ATOM 0 H VAL A 3 1.858 -5.033 -1.701 1.00 0.00 H new ATOM 0 HA VAL A 3 0.903 -6.362 0.717 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.547 -4.322 0.356 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.208 -4.382 -1.464 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.543 -4.241 -2.076 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.390 -5.805 -2.152 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.674 -5.549 0.652 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.877 -7.042 0.101 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.352 -6.258 1.610 1.00 0.00 H new ATOM 56 N MET A 4 0.265 -8.349 -0.732 1.00 0.00 N ATOM 57 CA MET A 4 0.092 -9.535 -1.567 1.00 0.00 C ATOM 58 C MET A 4 -1.325 -10.077 -1.429 1.00 0.00 C ATOM 59 O MET A 4 -1.757 -10.437 -0.331 1.00 0.00 O ATOM 60 CB MET A 4 1.107 -10.624 -1.193 1.00 0.00 C ATOM 61 CG MET A 4 0.905 -11.928 -1.959 1.00 0.00 C ATOM 62 SD MET A 4 2.127 -13.190 -1.550 1.00 0.00 S ATOM 63 CE MET A 4 3.626 -12.427 -2.178 1.00 0.00 C ATOM 0 H MET A 4 0.156 -8.519 0.268 1.00 0.00 H new ATOM 0 HA MET A 4 0.264 -9.245 -2.604 1.00 0.00 H new ATOM 0 HB2 MET A 4 2.114 -10.252 -1.382 1.00 0.00 H new ATOM 0 HB3 MET A 4 1.037 -10.824 -0.124 1.00 0.00 H new ATOM 0 HG2 MET A 4 -0.092 -12.315 -1.748 1.00 0.00 H new ATOM 0 HG3 MET A 4 0.948 -11.724 -3.029 1.00 0.00 H new ATOM 0 HE1 MET A 4 4.451 -13.137 -2.112 1.00 0.00 H new ATOM 0 HE2 MET A 4 3.478 -12.137 -3.218 1.00 0.00 H new ATOM 0 HE3 MET A 4 3.860 -11.543 -1.585 1.00 0.00 H new ATOM 73 N ILE A 5 -2.044 -10.132 -2.543 1.00 0.00 N ATOM 74 CA ILE A 5 -3.394 -10.675 -2.559 1.00 0.00 C ATOM 75 C ILE A 5 -3.339 -12.177 -2.807 1.00 0.00 C ATOM 76 O ILE A 5 -2.904 -12.631 -3.870 1.00 0.00 O ATOM 77 CB ILE A 5 -4.277 -10.005 -3.639 1.00 0.00 C ATOM 78 CG1 ILE A 5 -4.295 -8.478 -3.449 1.00 0.00 C ATOM 79 CG2 ILE A 5 -5.696 -10.575 -3.597 1.00 0.00 C ATOM 80 CD1 ILE A 5 -4.829 -8.029 -2.103 1.00 0.00 C ATOM 0 H ILE A 5 -1.712 -9.805 -3.450 1.00 0.00 H new ATOM 0 HA ILE A 5 -3.844 -10.469 -1.588 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.851 -10.221 -4.619 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -3.282 -8.095 -3.572 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.902 -8.032 -4.236 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -6.304 -10.093 -4.363 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.662 -11.649 -3.782 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -6.134 -10.390 -2.616 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.809 -6.941 -2.048 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.854 -8.379 -1.983 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.209 -8.444 -1.309 1.00 0.00 H new ATOM 92 N ARG A 6 -3.765 -12.939 -1.815 1.00 0.00 N ATOM 93 CA ARG A 6 -3.725 -14.390 -1.876 1.00 0.00 C ATOM 94 C ARG A 6 -5.143 -14.942 -1.962 1.00 0.00 C ATOM 95 O ARG A 6 -5.959 -14.710 -1.074 1.00 0.00 O ATOM 96 CB ARG A 6 -3.003 -14.935 -0.636 1.00 0.00 C ATOM 97 CG ARG A 6 -1.565 -14.437 -0.512 1.00 0.00 C ATOM 98 CD ARG A 6 -0.930 -14.832 0.814 1.00 0.00 C ATOM 99 NE ARG A 6 0.486 -14.456 0.877 1.00 0.00 N ATOM 100 CZ ARG A 6 1.172 -14.299 2.011 1.00 0.00 C ATOM 101 NH1 ARG A 6 0.565 -14.399 3.187 1.00 0.00 N ATOM 102 NH2 ARG A 6 2.469 -14.024 1.969 1.00 0.00 N ATOM 0 H ARG A 6 -4.148 -12.570 -0.945 1.00 0.00 H new ATOM 0 HA ARG A 6 -3.179 -14.705 -2.765 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -3.559 -14.647 0.256 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -3.002 -16.024 -0.673 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -0.971 -14.841 -1.332 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.549 -13.352 -0.611 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -1.469 -14.353 1.631 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -1.026 -15.908 0.956 1.00 0.00 H new ATOM 0 HE ARG A 6 0.979 -14.305 -0.003 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -0.435 -14.598 3.230 1.00 0.00 H new ATOM 0 HH12 ARG A 6 1.098 -14.277 4.048 1.00 0.00 H new ATOM 0 HH21 ARG A 6 2.942 -13.932 1.070 1.00 0.00 H new ATOM 0 HH22 ARG A 6 2.993 -13.904 2.836 1.00 0.00 H new ATOM 116 N LYS A 7 -5.441 -15.647 -3.045 1.00 0.00 N ATOM 117 CA LYS A 7 -6.757 -16.243 -3.231 1.00 0.00 C ATOM 118 C LYS A 7 -6.643 -17.727 -3.554 1.00 0.00 C ATOM 119 O LYS A 7 -5.768 -18.146 -4.312 1.00 0.00 O ATOM 120 CB LYS A 7 -7.566 -15.484 -4.310 1.00 0.00 C ATOM 121 CG LYS A 7 -6.756 -14.970 -5.511 1.00 0.00 C ATOM 122 CD LYS A 7 -6.272 -16.085 -6.437 1.00 0.00 C ATOM 123 CE LYS A 7 -7.426 -16.901 -7.016 1.00 0.00 C ATOM 124 NZ LYS A 7 -6.940 -17.999 -7.894 1.00 0.00 N ATOM 0 H LYS A 7 -4.788 -15.820 -3.809 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.304 -16.153 -2.292 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -8.351 -16.143 -4.680 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -8.059 -14.635 -3.838 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.370 -14.274 -6.083 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.894 -14.411 -5.146 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.692 -15.651 -7.252 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.603 -16.746 -5.887 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.018 -17.321 -6.203 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -8.085 -16.245 -7.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.719 -18.331 -8.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.164 -17.649 -8.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.598 -18.787 -7.308 1.00 0.00 H new ATOM 138 N THR A 8 -7.523 -18.510 -2.951 1.00 0.00 N ATOM 139 CA THR A 8 -7.557 -19.953 -3.128 1.00 0.00 C ATOM 140 C THR A 8 -9.015 -20.416 -3.032 1.00 0.00 C ATOM 141 O THR A 8 -9.909 -19.578 -2.867 1.00 0.00 O ATOM 142 CB THR A 8 -6.694 -20.652 -2.042 1.00 0.00 C ATOM 143 OG1 THR A 8 -5.489 -19.904 -1.817 1.00 0.00 O ATOM 144 CG2 THR A 8 -6.322 -22.075 -2.451 1.00 0.00 C ATOM 0 H THR A 8 -8.241 -18.158 -2.318 1.00 0.00 H new ATOM 0 HA THR A 8 -7.146 -20.218 -4.102 1.00 0.00 H new ATOM 0 HB THR A 8 -7.288 -20.696 -1.129 1.00 0.00 H new ATOM 0 HG1 THR A 8 -4.951 -20.350 -1.130 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.718 -22.533 -1.667 1.00 0.00 H new ATOM 0 HG22 THR A 8 -7.230 -22.660 -2.599 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.752 -22.049 -3.380 1.00 0.00 H new ATOM 152 N ALA A 9 -9.263 -21.723 -3.149 1.00 0.00 N ATOM 153 CA ALA A 9 -10.617 -22.270 -3.029 1.00 0.00 C ATOM 154 C ALA A 9 -11.306 -21.740 -1.768 1.00 0.00 C ATOM 155 O ALA A 9 -10.941 -22.118 -0.658 1.00 0.00 O ATOM 156 CB ALA A 9 -10.571 -23.794 -3.014 1.00 0.00 C ATOM 0 H ALA A 9 -8.543 -22.423 -3.327 1.00 0.00 H new ATOM 0 HA ALA A 9 -11.197 -21.948 -3.893 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -11.583 -24.188 -2.924 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -10.122 -24.154 -3.940 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -9.974 -24.132 -2.167 1.00 0.00 H new ATOM 162 N THR A 10 -12.273 -20.835 -1.970 1.00 0.00 N ATOM 163 CA THR A 10 -13.030 -20.157 -0.898 1.00 0.00 C ATOM 164 C THR A 10 -12.159 -19.192 -0.073 1.00 0.00 C ATOM 165 O THR A 10 -12.595 -18.084 0.253 1.00 0.00 O ATOM 166 CB THR A 10 -13.789 -21.140 0.051 1.00 0.00 C ATOM 167 OG1 THR A 10 -12.885 -22.004 0.759 1.00 0.00 O ATOM 168 CG2 THR A 10 -14.787 -21.990 -0.725 1.00 0.00 C ATOM 0 H THR A 10 -12.561 -20.544 -2.904 1.00 0.00 H new ATOM 0 HA THR A 10 -13.782 -19.572 -1.427 1.00 0.00 H new ATOM 0 HB THR A 10 -14.322 -20.524 0.775 1.00 0.00 H new ATOM 0 HG1 THR A 10 -11.970 -21.849 0.443 1.00 0.00 H new ATOM 0 HG21 THR A 10 -15.301 -22.665 -0.040 1.00 0.00 H new ATOM 0 HG22 THR A 10 -15.516 -21.342 -1.211 1.00 0.00 H new ATOM 0 HG23 THR A 10 -14.259 -22.573 -1.480 1.00 0.00 H new ATOM 176 N GLY A 11 -10.928 -19.596 0.242 1.00 0.00 N ATOM 177 CA GLY A 11 -10.060 -18.788 1.076 1.00 0.00 C ATOM 178 C GLY A 11 -9.471 -17.602 0.333 1.00 0.00 C ATOM 179 O GLY A 11 -8.645 -17.769 -0.565 1.00 0.00 O ATOM 0 H GLY A 11 -10.517 -20.476 -0.070 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -10.623 -18.429 1.938 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -9.251 -19.409 1.460 1.00 0.00 H new ATOM 183 N HIS A 12 -9.909 -16.403 0.699 1.00 0.00 N ATOM 184 CA HIS A 12 -9.369 -15.166 0.139 1.00 0.00 C ATOM 185 C HIS A 12 -8.746 -14.346 1.258 1.00 0.00 C ATOM 186 O HIS A 12 -9.383 -14.114 2.283 1.00 0.00 O ATOM 187 CB HIS A 12 -10.475 -14.355 -0.546 1.00 0.00 C ATOM 188 CG HIS A 12 -11.208 -15.112 -1.613 1.00 0.00 C ATOM 189 ND1 HIS A 12 -12.339 -15.857 -1.363 1.00 0.00 N ATOM 190 CD2 HIS A 12 -10.965 -15.236 -2.938 1.00 0.00 C ATOM 191 CE1 HIS A 12 -12.761 -16.406 -2.486 1.00 0.00 C ATOM 192 NE2 HIS A 12 -11.946 -16.045 -3.459 1.00 0.00 N ATOM 0 H HIS A 12 -10.646 -16.259 1.390 1.00 0.00 H new ATOM 0 HA HIS A 12 -8.613 -15.412 -0.607 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -11.190 -14.024 0.208 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -10.037 -13.459 -0.985 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -12.782 -15.967 -0.451 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -10.151 -14.783 -3.485 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -13.627 -17.043 -2.591 1.00 0.00 H new ATOM 201 N SER A 13 -7.510 -13.915 1.066 1.00 0.00 N ATOM 202 CA SER A 13 -6.794 -13.153 2.078 1.00 0.00 C ATOM 203 C SER A 13 -5.913 -12.090 1.428 1.00 0.00 C ATOM 204 O SER A 13 -5.528 -12.213 0.263 1.00 0.00 O ATOM 205 CB SER A 13 -5.948 -14.099 2.945 1.00 0.00 C ATOM 206 OG SER A 13 -5.113 -14.924 2.144 1.00 0.00 O ATOM 0 H SER A 13 -6.978 -14.081 0.212 1.00 0.00 H new ATOM 0 HA SER A 13 -7.520 -12.647 2.715 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.335 -13.516 3.632 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.603 -14.722 3.553 1.00 0.00 H new ATOM 0 HG SER A 13 -4.585 -15.514 2.722 1.00 0.00 H new ATOM 212 N ALA A 14 -5.618 -11.039 2.180 1.00 0.00 N ATOM 213 CA ALA A 14 -4.729 -9.982 1.722 1.00 0.00 C ATOM 214 C ALA A 14 -3.651 -9.741 2.769 1.00 0.00 C ATOM 215 O ALA A 14 -3.949 -9.330 3.894 1.00 0.00 O ATOM 216 CB ALA A 14 -5.512 -8.703 1.441 1.00 0.00 C ATOM 0 H ALA A 14 -5.986 -10.896 3.120 1.00 0.00 H new ATOM 0 HA ALA A 14 -4.255 -10.290 0.790 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.829 -7.925 1.100 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.258 -8.895 0.669 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.010 -8.374 2.353 1.00 0.00 H new ATOM 222 N TYR A 15 -2.405 -10.013 2.402 1.00 0.00 N ATOM 223 CA TYR A 15 -1.289 -9.904 3.330 1.00 0.00 C ATOM 224 C TYR A 15 -0.681 -8.503 3.288 1.00 0.00 C ATOM 225 O TYR A 15 0.032 -8.149 2.343 1.00 0.00 O ATOM 226 CB TYR A 15 -0.220 -10.962 3.015 1.00 0.00 C ATOM 227 CG TYR A 15 0.973 -10.918 3.953 1.00 0.00 C ATOM 228 CD1 TYR A 15 0.829 -11.209 5.306 1.00 0.00 C ATOM 229 CD2 TYR A 15 2.240 -10.575 3.489 1.00 0.00 C ATOM 230 CE1 TYR A 15 1.909 -11.159 6.166 1.00 0.00 C ATOM 231 CE2 TYR A 15 3.321 -10.521 4.345 1.00 0.00 C ATOM 232 CZ TYR A 15 3.152 -10.815 5.680 1.00 0.00 C ATOM 233 OH TYR A 15 4.230 -10.752 6.536 1.00 0.00 O ATOM 0 H TYR A 15 -2.142 -10.312 1.463 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.667 -10.082 4.337 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.674 -11.952 3.065 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.128 -10.822 1.991 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -0.144 -11.479 5.690 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.379 -10.348 2.442 1.00 0.00 H new ATOM 0 HE1 TYR A 15 1.780 -11.388 7.213 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.296 -10.249 3.969 1.00 0.00 H new ATOM 0 HH TYR A 15 3.931 -10.931 7.452 1.00 0.00 H new ATOM 243 N VAL A 16 -0.987 -7.707 4.308 1.00 0.00 N ATOM 244 CA VAL A 16 -0.410 -6.375 4.456 1.00 0.00 C ATOM 245 C VAL A 16 0.994 -6.493 5.053 1.00 0.00 C ATOM 246 O VAL A 16 1.151 -6.657 6.267 1.00 0.00 O ATOM 247 CB VAL A 16 -1.289 -5.469 5.356 1.00 0.00 C ATOM 248 CG1 VAL A 16 -0.713 -4.056 5.438 1.00 0.00 C ATOM 249 CG2 VAL A 16 -2.731 -5.442 4.850 1.00 0.00 C ATOM 0 H VAL A 16 -1.637 -7.965 5.050 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.359 -5.915 3.469 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.290 -5.889 6.362 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.348 -3.441 6.075 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.292 -4.097 5.858 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.671 -3.622 4.439 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.331 -4.801 5.495 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.752 -5.054 3.832 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.140 -6.452 4.861 1.00 0.00 H new ATOM 259 N ALA A 17 2.003 -6.416 4.188 1.00 0.00 N ATOM 260 CA ALA A 17 3.393 -6.679 4.569 1.00 0.00 C ATOM 261 C ALA A 17 3.841 -5.846 5.771 1.00 0.00 C ATOM 262 O ALA A 17 4.304 -6.393 6.770 1.00 0.00 O ATOM 263 CB ALA A 17 4.316 -6.436 3.382 1.00 0.00 C ATOM 0 H ALA A 17 1.883 -6.170 3.205 1.00 0.00 H new ATOM 0 HA ALA A 17 3.452 -7.725 4.869 1.00 0.00 H new ATOM 0 HB1 ALA A 17 5.347 -6.634 3.676 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.038 -7.100 2.563 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.225 -5.400 3.056 1.00 0.00 H new ATOM 269 N LYS A 18 3.676 -4.526 5.684 1.00 0.00 N ATOM 270 CA LYS A 18 4.174 -3.613 6.724 1.00 0.00 C ATOM 271 C LYS A 18 3.480 -3.839 8.072 1.00 0.00 C ATOM 272 O LYS A 18 3.913 -3.312 9.099 1.00 0.00 O ATOM 273 CB LYS A 18 4.037 -2.141 6.271 1.00 0.00 C ATOM 274 CG LYS A 18 2.641 -1.725 5.784 1.00 0.00 C ATOM 275 CD LYS A 18 1.628 -1.548 6.921 1.00 0.00 C ATOM 276 CE LYS A 18 2.027 -0.440 7.897 1.00 0.00 C ATOM 277 NZ LYS A 18 2.072 0.900 7.249 1.00 0.00 N ATOM 0 H LYS A 18 3.203 -4.062 4.908 1.00 0.00 H new ATOM 0 HA LYS A 18 5.231 -3.834 6.869 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.320 -1.496 7.103 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.752 -1.958 5.469 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.721 -0.790 5.230 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.268 -2.477 5.088 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.649 -1.320 6.499 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.529 -2.488 7.464 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.318 -0.416 8.725 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.005 -0.668 8.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.247 1.629 7.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.837 0.919 6.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.164 1.089 6.779 1.00 0.00 H new ATOM 291 N LYS A 19 2.400 -4.615 8.068 1.00 0.00 N ATOM 292 CA LYS A 19 1.641 -4.881 9.287 1.00 0.00 C ATOM 293 C LYS A 19 1.655 -6.375 9.612 1.00 0.00 C ATOM 294 O LYS A 19 1.216 -6.790 10.687 1.00 0.00 O ATOM 295 CB LYS A 19 0.197 -4.378 9.120 1.00 0.00 C ATOM 296 CG LYS A 19 -0.592 -4.273 10.424 1.00 0.00 C ATOM 297 CD LYS A 19 -2.006 -3.748 10.180 1.00 0.00 C ATOM 298 CE LYS A 19 -2.745 -3.459 11.481 1.00 0.00 C ATOM 299 NZ LYS A 19 -2.874 -4.664 12.346 1.00 0.00 N ATOM 0 H LYS A 19 2.030 -5.071 7.234 1.00 0.00 H new ATOM 0 HA LYS A 19 2.107 -4.349 10.117 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.220 -3.398 8.644 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.332 -5.049 8.443 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -0.643 -5.252 10.900 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.070 -3.610 11.114 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.956 -2.838 9.583 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.568 -4.479 9.599 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.217 -2.678 12.029 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.738 -3.072 11.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -3.864 -4.772 12.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.579 -5.507 11.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -2.269 -4.556 13.185 1.00 0.00 H new ATOM 313 N ASP A 20 2.168 -7.178 8.671 1.00 0.00 N ATOM 314 CA ASP A 20 2.193 -8.639 8.816 1.00 0.00 C ATOM 315 C ASP A 20 0.765 -9.160 9.022 1.00 0.00 C ATOM 316 O ASP A 20 0.534 -10.217 9.609 1.00 0.00 O ATOM 317 CB ASP A 20 3.119 -9.038 9.982 1.00 0.00 C ATOM 318 CG ASP A 20 3.259 -10.544 10.165 1.00 0.00 C ATOM 319 OD1 ASP A 20 3.811 -11.216 9.265 1.00 0.00 O ATOM 320 OD2 ASP A 20 2.835 -11.059 11.221 1.00 0.00 O ATOM 0 H ASP A 20 2.573 -6.839 7.798 1.00 0.00 H new ATOM 0 HA ASP A 20 2.591 -9.093 7.909 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.106 -8.608 9.814 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.735 -8.603 10.905 1.00 0.00 H new ATOM 325 N LEU A 21 -0.193 -8.399 8.502 1.00 0.00 N ATOM 326 CA LEU A 21 -1.609 -8.701 8.669 1.00 0.00 C ATOM 327 C LEU A 21 -2.074 -9.653 7.576 1.00 0.00 C ATOM 328 O LEU A 21 -1.922 -9.362 6.389 1.00 0.00 O ATOM 329 CB LEU A 21 -2.423 -7.386 8.635 1.00 0.00 C ATOM 330 CG LEU A 21 -3.945 -7.499 8.902 1.00 0.00 C ATOM 331 CD1 LEU A 21 -4.515 -6.147 9.317 1.00 0.00 C ATOM 332 CD2 LEU A 21 -4.704 -8.017 7.675 1.00 0.00 C ATOM 0 H LEU A 21 -0.010 -7.558 7.955 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.767 -9.187 9.632 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.999 -6.705 9.372 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.283 -6.925 7.657 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.076 -8.217 9.711 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.585 -6.244 9.501 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.020 -5.807 10.227 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.348 -5.422 8.521 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.767 -8.081 7.905 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.554 -7.333 6.839 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.331 -9.005 7.407 1.00 0.00 H new ATOM 344 N GLU A 22 -2.628 -10.790 7.980 1.00 0.00 N ATOM 345 CA GLU A 22 -3.274 -11.700 7.049 1.00 0.00 C ATOM 346 C GLU A 22 -4.626 -12.131 7.615 1.00 0.00 C ATOM 347 O GLU A 22 -4.702 -12.963 8.523 1.00 0.00 O ATOM 348 CB GLU A 22 -2.385 -12.927 6.786 1.00 0.00 C ATOM 349 CG GLU A 22 -3.023 -13.966 5.867 1.00 0.00 C ATOM 350 CD GLU A 22 -2.103 -15.142 5.575 1.00 0.00 C ATOM 351 OE1 GLU A 22 -1.872 -15.970 6.484 1.00 0.00 O ATOM 352 OE2 GLU A 22 -1.608 -15.250 4.432 1.00 0.00 O ATOM 0 H GLU A 22 -2.641 -11.102 8.951 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.429 -11.187 6.100 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.445 -12.595 6.346 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.142 -13.399 7.738 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.941 -14.334 6.325 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.304 -13.489 4.928 1.00 0.00 H new ATOM 359 N GLU A 23 -5.685 -11.560 7.055 1.00 0.00 N ATOM 360 CA GLU A 23 -7.057 -11.882 7.437 1.00 0.00 C ATOM 361 C GLU A 23 -7.840 -12.269 6.187 1.00 0.00 C ATOM 362 O GLU A 23 -7.394 -12.013 5.064 1.00 0.00 O ATOM 363 CB GLU A 23 -7.747 -10.687 8.139 1.00 0.00 C ATOM 364 CG GLU A 23 -7.752 -10.750 9.671 1.00 0.00 C ATOM 365 CD GLU A 23 -6.448 -10.302 10.322 1.00 0.00 C ATOM 366 OE1 GLU A 23 -5.541 -11.140 10.498 1.00 0.00 O ATOM 367 OE2 GLU A 23 -6.339 -9.111 10.694 1.00 0.00 O ATOM 0 H GLU A 23 -5.618 -10.857 6.319 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.035 -12.712 8.143 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.250 -9.767 7.830 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.778 -10.626 7.790 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.564 -10.127 10.046 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.966 -11.773 9.980 1.00 0.00 H new ATOM 374 N LEU A 24 -9.003 -12.878 6.382 1.00 0.00 N ATOM 375 CA LEU A 24 -9.853 -13.279 5.267 1.00 0.00 C ATOM 376 C LEU A 24 -10.641 -12.085 4.735 1.00 0.00 C ATOM 377 O LEU A 24 -11.208 -11.309 5.505 1.00 0.00 O ATOM 378 CB LEU A 24 -10.816 -14.398 5.692 1.00 0.00 C ATOM 379 CG LEU A 24 -10.153 -15.733 6.075 1.00 0.00 C ATOM 380 CD1 LEU A 24 -11.207 -16.767 6.470 1.00 0.00 C ATOM 381 CD2 LEU A 24 -9.286 -16.252 4.930 1.00 0.00 C ATOM 0 H LEU A 24 -9.380 -13.105 7.302 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.210 -13.656 4.472 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -11.402 -14.046 6.541 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -11.516 -14.581 4.876 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.509 -15.560 6.937 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.716 -17.703 6.737 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.776 -16.399 7.324 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.882 -16.937 5.631 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.826 -17.197 5.221 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.905 -16.407 4.046 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.507 -15.524 4.704 1.00 0.00 H new ATOM 393 N ILE A 25 -10.642 -11.931 3.418 1.00 0.00 N ATOM 394 CA ILE A 25 -11.438 -10.910 2.757 1.00 0.00 C ATOM 395 C ILE A 25 -12.918 -11.282 2.828 1.00 0.00 C ATOM 396 O ILE A 25 -13.373 -12.195 2.132 1.00 0.00 O ATOM 397 CB ILE A 25 -11.006 -10.734 1.278 1.00 0.00 C ATOM 398 CG1 ILE A 25 -9.520 -10.335 1.202 1.00 0.00 C ATOM 399 CG2 ILE A 25 -11.884 -9.698 0.579 1.00 0.00 C ATOM 400 CD1 ILE A 25 -8.984 -10.192 -0.209 1.00 0.00 C ATOM 0 H ILE A 25 -10.093 -12.509 2.781 1.00 0.00 H new ATOM 0 HA ILE A 25 -11.276 -9.963 3.272 1.00 0.00 H new ATOM 0 HB ILE A 25 -11.134 -11.686 0.762 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -9.382 -9.390 1.728 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -8.928 -11.083 1.729 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -11.564 -9.590 -0.457 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -12.924 -10.025 0.606 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -11.792 -8.739 1.089 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -7.932 -9.909 -0.172 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -9.086 -11.141 -0.735 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -9.548 -9.422 -0.736 1.00 0.00 H new ATOM 412 N VAL A 26 -13.650 -10.588 3.695 1.00 0.00 N ATOM 413 CA VAL A 26 -15.069 -10.861 3.910 1.00 0.00 C ATOM 414 C VAL A 26 -15.926 -10.202 2.834 1.00 0.00 C ATOM 415 O VAL A 26 -16.783 -10.846 2.227 1.00 0.00 O ATOM 416 CB VAL A 26 -15.538 -10.389 5.315 1.00 0.00 C ATOM 417 CG1 VAL A 26 -14.986 -11.306 6.407 1.00 0.00 C ATOM 418 CG2 VAL A 26 -15.127 -8.938 5.581 1.00 0.00 C ATOM 0 H VAL A 26 -13.281 -9.827 4.264 1.00 0.00 H new ATOM 0 HA VAL A 26 -15.195 -11.942 3.850 1.00 0.00 H new ATOM 0 HB VAL A 26 -16.627 -10.441 5.334 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -15.327 -10.957 7.382 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -15.341 -12.323 6.241 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.896 -11.292 6.377 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -15.470 -8.638 6.571 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.041 -8.852 5.531 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -15.577 -8.289 4.830 1.00 0.00 H new ATOM 428 N GLU A 27 -15.682 -8.920 2.592 1.00 0.00 N ATOM 429 CA GLU A 27 -16.460 -8.155 1.626 1.00 0.00 C ATOM 430 C GLU A 27 -15.629 -7.902 0.374 1.00 0.00 C ATOM 431 O GLU A 27 -14.424 -7.651 0.463 1.00 0.00 O ATOM 432 CB GLU A 27 -16.910 -6.821 2.240 1.00 0.00 C ATOM 433 CG GLU A 27 -17.770 -6.962 3.494 1.00 0.00 C ATOM 434 CD GLU A 27 -19.012 -7.811 3.272 1.00 0.00 C ATOM 435 OE1 GLU A 27 -19.867 -7.424 2.448 1.00 0.00 O ATOM 436 OE2 GLU A 27 -19.149 -8.864 3.936 1.00 0.00 O ATOM 0 H GLU A 27 -14.947 -8.386 3.055 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.346 -8.729 1.354 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -16.027 -6.231 2.484 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -17.470 -6.261 1.491 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -17.172 -7.405 4.290 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -18.070 -5.971 3.835 1.00 0.00 H new ATOM 443 N MET A 28 -16.264 -7.980 -0.789 1.00 0.00 N ATOM 444 CA MET A 28 -15.574 -7.784 -2.062 1.00 0.00 C ATOM 445 C MET A 28 -16.368 -6.839 -2.953 1.00 0.00 C ATOM 446 O MET A 28 -17.580 -6.679 -2.778 1.00 0.00 O ATOM 447 CB MET A 28 -15.395 -9.129 -2.784 1.00 0.00 C ATOM 448 CG MET A 28 -14.610 -10.162 -1.989 1.00 0.00 C ATOM 449 SD MET A 28 -14.626 -11.793 -2.757 1.00 0.00 S ATOM 450 CE MET A 28 -13.863 -12.772 -1.468 1.00 0.00 C ATOM 0 H MET A 28 -17.260 -8.178 -0.879 1.00 0.00 H new ATOM 0 HA MET A 28 -14.595 -7.351 -1.857 1.00 0.00 H new ATOM 0 HB2 MET A 28 -16.378 -9.537 -3.018 1.00 0.00 H new ATOM 0 HB3 MET A 28 -14.888 -8.955 -3.733 1.00 0.00 H new ATOM 0 HG2 MET A 28 -13.579 -9.825 -1.883 1.00 0.00 H new ATOM 0 HG3 MET A 28 -15.027 -10.234 -0.984 1.00 0.00 H new ATOM 0 HE1 MET A 28 -14.125 -13.821 -1.605 1.00 0.00 H new ATOM 0 HE2 MET A 28 -12.780 -12.659 -1.518 1.00 0.00 H new ATOM 0 HE3 MET A 28 -14.219 -12.433 -0.495 1.00 0.00 H new ATOM 460 N GLU A 29 -15.679 -6.203 -3.894 1.00 0.00 N ATOM 461 CA GLU A 29 -16.331 -5.393 -4.917 1.00 0.00 C ATOM 462 C GLU A 29 -17.180 -6.292 -5.807 1.00 0.00 C ATOM 463 O GLU A 29 -18.358 -6.025 -6.058 1.00 0.00 O ATOM 464 CB GLU A 29 -15.276 -4.671 -5.763 1.00 0.00 C ATOM 465 CG GLU A 29 -15.854 -3.723 -6.807 1.00 0.00 C ATOM 466 CD GLU A 29 -16.584 -2.542 -6.192 1.00 0.00 C ATOM 467 OE1 GLU A 29 -15.912 -1.576 -5.775 1.00 0.00 O ATOM 468 OE2 GLU A 29 -17.831 -2.572 -6.127 1.00 0.00 O ATOM 0 H GLU A 29 -14.662 -6.233 -3.970 1.00 0.00 H new ATOM 0 HA GLU A 29 -16.968 -4.650 -4.438 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -14.619 -4.107 -5.101 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.659 -5.415 -6.266 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -15.048 -3.355 -7.442 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -16.541 -4.274 -7.450 1.00 0.00 H new ATOM 475 N ASN A 30 -16.561 -7.374 -6.263 1.00 0.00 N ATOM 476 CA ASN A 30 -17.218 -8.362 -7.112 1.00 0.00 C ATOM 477 C ASN A 30 -17.028 -9.748 -6.496 1.00 0.00 C ATOM 478 O ASN A 30 -16.003 -9.995 -5.862 1.00 0.00 O ATOM 479 CB ASN A 30 -16.639 -8.318 -8.537 1.00 0.00 C ATOM 480 CG ASN A 30 -16.882 -6.987 -9.239 1.00 0.00 C ATOM 481 OD1 ASN A 30 -17.880 -6.305 -8.994 1.00 0.00 O ATOM 482 ND2 ASN A 30 -15.970 -6.608 -10.123 1.00 0.00 N ATOM 0 H ASN A 30 -15.587 -7.592 -6.054 1.00 0.00 H new ATOM 0 HA ASN A 30 -18.282 -8.137 -7.178 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -15.567 -8.509 -8.493 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -17.082 -9.120 -9.128 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -16.082 -5.727 -10.625 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -15.156 -7.197 -10.301 1.00 0.00 H new ATOM 489 N PRO A 31 -18.004 -10.666 -6.677 1.00 0.00 N ATOM 490 CA PRO A 31 -17.998 -11.996 -6.032 1.00 0.00 C ATOM 491 C PRO A 31 -16.687 -12.767 -6.220 1.00 0.00 C ATOM 492 O PRO A 31 -16.375 -13.669 -5.437 1.00 0.00 O ATOM 493 CB PRO A 31 -19.173 -12.740 -6.701 1.00 0.00 C ATOM 494 CG PRO A 31 -19.567 -11.901 -7.873 1.00 0.00 C ATOM 495 CD PRO A 31 -19.202 -10.489 -7.516 1.00 0.00 C ATOM 0 HA PRO A 31 -18.096 -11.903 -4.950 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -18.874 -13.739 -7.017 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -20.006 -12.861 -6.008 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -19.046 -12.222 -8.775 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -20.635 -11.989 -8.074 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -18.991 -9.889 -8.401 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -20.005 -9.988 -6.975 1.00 0.00 H new ATOM 503 N ALA A 32 -15.933 -12.430 -7.262 1.00 0.00 N ATOM 504 CA ALA A 32 -14.630 -13.044 -7.487 1.00 0.00 C ATOM 505 C ALA A 32 -13.624 -12.554 -6.457 1.00 0.00 C ATOM 506 O ALA A 32 -13.160 -13.326 -5.612 1.00 0.00 O ATOM 507 CB ALA A 32 -14.120 -12.745 -8.889 1.00 0.00 C ATOM 0 H ALA A 32 -16.201 -11.738 -7.961 1.00 0.00 H new ATOM 0 HA ALA A 32 -14.748 -14.123 -7.384 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -13.147 -13.215 -9.030 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -14.823 -13.139 -9.623 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -14.025 -11.667 -9.019 1.00 0.00 H new ATOM 513 N LEU A 33 -13.307 -11.257 -6.536 1.00 0.00 N ATOM 514 CA LEU A 33 -12.297 -10.639 -5.684 1.00 0.00 C ATOM 515 C LEU A 33 -11.993 -9.220 -6.176 1.00 0.00 C ATOM 516 O LEU A 33 -12.369 -8.232 -5.542 1.00 0.00 O ATOM 517 CB LEU A 33 -11.003 -11.475 -5.682 1.00 0.00 C ATOM 518 CG LEU A 33 -10.009 -11.141 -4.558 1.00 0.00 C ATOM 519 CD1 LEU A 33 -10.653 -11.348 -3.189 1.00 0.00 C ATOM 520 CD2 LEU A 33 -8.742 -11.983 -4.695 1.00 0.00 C ATOM 0 H LEU A 33 -13.745 -10.611 -7.193 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.686 -10.594 -4.667 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.271 -12.529 -5.607 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.501 -11.341 -6.640 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.731 -10.091 -4.646 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.933 -11.106 -2.408 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.523 -10.698 -3.094 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.964 -12.388 -3.087 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.050 -11.733 -3.891 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.000 -13.040 -4.636 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.271 -11.777 -5.656 1.00 0.00 H new ATOM 532 N TRP A 34 -11.329 -9.140 -7.330 1.00 0.00 N ATOM 533 CA TRP A 34 -10.901 -7.869 -7.909 1.00 0.00 C ATOM 534 C TRP A 34 -12.077 -7.135 -8.549 1.00 0.00 C ATOM 535 O TRP A 34 -13.048 -7.763 -8.983 1.00 0.00 O ATOM 536 CB TRP A 34 -9.812 -8.119 -8.964 1.00 0.00 C ATOM 537 CG TRP A 34 -8.626 -8.868 -8.428 1.00 0.00 C ATOM 538 CD1 TRP A 34 -8.563 -10.201 -8.138 1.00 0.00 C ATOM 539 CD2 TRP A 34 -7.335 -8.330 -8.118 1.00 0.00 C ATOM 540 NE1 TRP A 34 -7.321 -10.521 -7.655 1.00 0.00 N ATOM 541 CE2 TRP A 34 -6.547 -9.390 -7.636 1.00 0.00 C ATOM 542 CE3 TRP A 34 -6.770 -7.055 -8.197 1.00 0.00 C ATOM 543 CZ2 TRP A 34 -5.228 -9.215 -7.237 1.00 0.00 C ATOM 544 CZ3 TRP A 34 -5.459 -6.883 -7.804 1.00 0.00 C ATOM 545 CH2 TRP A 34 -4.701 -7.958 -7.328 1.00 0.00 C ATOM 0 H TRP A 34 -11.074 -9.955 -7.888 1.00 0.00 H new ATOM 0 HA TRP A 34 -10.501 -7.246 -7.109 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -10.242 -8.680 -9.794 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -9.478 -7.162 -9.365 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -9.374 -10.901 -8.270 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -7.021 -11.450 -7.358 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -7.349 -6.219 -8.559 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -4.640 -10.043 -6.868 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -5.010 -5.902 -7.865 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -3.678 -7.791 -7.026 1.00 0.00 H new ATOM 556 N GLY A 35 -11.980 -5.810 -8.618 1.00 0.00 N ATOM 557 CA GLY A 35 -13.029 -5.016 -9.230 1.00 0.00 C ATOM 558 C GLY A 35 -12.990 -3.567 -8.790 1.00 0.00 C ATOM 559 O GLY A 35 -13.317 -2.667 -9.565 1.00 0.00 O ATOM 0 H GLY A 35 -11.191 -5.272 -8.260 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -12.932 -5.066 -10.315 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -13.999 -5.444 -8.976 1.00 0.00 H new ATOM 563 N GLY A 36 -12.581 -3.342 -7.545 1.00 0.00 N ATOM 564 CA GLY A 36 -12.570 -2.002 -6.988 1.00 0.00 C ATOM 565 C GLY A 36 -12.003 -1.985 -5.585 1.00 0.00 C ATOM 566 O GLY A 36 -10.847 -1.630 -5.385 1.00 0.00 O ATOM 0 H GLY A 36 -12.255 -4.069 -6.909 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -11.979 -1.347 -7.628 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -13.585 -1.604 -6.975 1.00 0.00 H new ATOM 570 N LYS A 37 -12.813 -2.389 -4.614 1.00 0.00 N ATOM 571 CA LYS A 37 -12.376 -2.455 -3.221 1.00 0.00 C ATOM 572 C LYS A 37 -12.706 -3.816 -2.609 1.00 0.00 C ATOM 573 O LYS A 37 -13.538 -4.561 -3.132 1.00 0.00 O ATOM 574 CB LYS A 37 -13.014 -1.311 -2.397 1.00 0.00 C ATOM 575 CG LYS A 37 -14.547 -1.214 -2.482 1.00 0.00 C ATOM 576 CD LYS A 37 -15.269 -2.301 -1.675 1.00 0.00 C ATOM 577 CE LYS A 37 -15.051 -2.156 -0.169 1.00 0.00 C ATOM 578 NZ LYS A 37 -15.798 -0.998 0.395 1.00 0.00 N ATOM 0 H LYS A 37 -13.780 -2.677 -4.764 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.293 -2.331 -3.197 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.732 -1.438 -1.352 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -12.588 -0.365 -2.730 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -14.863 -0.234 -2.123 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.851 -1.284 -3.526 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -16.337 -2.259 -1.890 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -14.917 -3.281 -1.997 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -15.368 -3.070 0.333 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.987 -2.034 0.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.310 -0.650 1.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -15.845 -0.237 -0.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -16.762 -1.296 0.647 1.00 0.00 H new ATOM 592 N VAL A 38 -12.034 -4.133 -1.509 1.00 0.00 N ATOM 593 CA VAL A 38 -12.348 -5.306 -0.699 1.00 0.00 C ATOM 594 C VAL A 38 -12.222 -4.932 0.772 1.00 0.00 C ATOM 595 O VAL A 38 -11.679 -3.873 1.100 1.00 0.00 O ATOM 596 CB VAL A 38 -11.415 -6.514 -0.991 1.00 0.00 C ATOM 597 CG1 VAL A 38 -11.403 -6.866 -2.478 1.00 0.00 C ATOM 598 CG2 VAL A 38 -10.000 -6.254 -0.469 1.00 0.00 C ATOM 0 H VAL A 38 -11.253 -3.583 -1.152 1.00 0.00 H new ATOM 0 HA VAL A 38 -13.363 -5.613 -0.951 1.00 0.00 H new ATOM 0 HB VAL A 38 -11.814 -7.376 -0.457 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -10.740 -7.715 -2.646 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -12.412 -7.125 -2.799 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -11.048 -6.010 -3.052 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.368 -7.115 -0.686 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.589 -5.370 -0.956 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.034 -6.092 0.608 1.00 0.00 H new ATOM 608 N THR A 39 -12.712 -5.793 1.651 1.00 0.00 N ATOM 609 CA THR A 39 -12.631 -5.551 3.086 1.00 0.00 C ATOM 610 C THR A 39 -12.203 -6.818 3.823 1.00 0.00 C ATOM 611 O THR A 39 -12.811 -7.882 3.662 1.00 0.00 O ATOM 612 CB THR A 39 -13.985 -5.052 3.639 1.00 0.00 C ATOM 613 OG1 THR A 39 -14.470 -3.984 2.813 1.00 0.00 O ATOM 614 CG2 THR A 39 -13.851 -4.564 5.081 1.00 0.00 C ATOM 0 H THR A 39 -13.171 -6.668 1.396 1.00 0.00 H new ATOM 0 HA THR A 39 -11.882 -4.777 3.252 1.00 0.00 H new ATOM 0 HB THR A 39 -14.688 -5.885 3.628 1.00 0.00 H new ATOM 0 HG1 THR A 39 -15.330 -3.666 3.160 1.00 0.00 H new ATOM 0 HG21 THR A 39 -14.821 -4.220 5.440 1.00 0.00 H new ATOM 0 HG22 THR A 39 -13.500 -5.382 5.711 1.00 0.00 H new ATOM 0 HG23 THR A 39 -13.136 -3.742 5.122 1.00 0.00 H new ATOM 622 N LEU A 40 -11.143 -6.699 4.615 1.00 0.00 N ATOM 623 CA LEU A 40 -10.616 -7.815 5.395 1.00 0.00 C ATOM 624 C LEU A 40 -11.472 -8.053 6.636 1.00 0.00 C ATOM 625 O LEU A 40 -12.217 -7.170 7.061 1.00 0.00 O ATOM 626 CB LEU A 40 -9.161 -7.540 5.817 1.00 0.00 C ATOM 627 CG LEU A 40 -8.100 -7.652 4.707 1.00 0.00 C ATOM 628 CD1 LEU A 40 -8.080 -9.062 4.128 1.00 0.00 C ATOM 629 CD2 LEU A 40 -8.330 -6.613 3.609 1.00 0.00 C ATOM 0 H LEU A 40 -10.625 -5.828 4.735 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.642 -8.707 4.769 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.110 -6.537 6.240 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.898 -8.235 6.614 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.126 -7.448 5.151 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.324 -9.123 3.345 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.843 -9.776 4.917 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.058 -9.297 3.708 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.564 -6.719 2.841 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.313 -6.765 3.164 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.277 -5.612 4.038 1.00 0.00 H new ATOM 641 N ALA A 41 -11.346 -9.244 7.219 1.00 0.00 N ATOM 642 CA ALA A 41 -12.023 -9.568 8.474 1.00 0.00 C ATOM 643 C ALA A 41 -11.561 -8.627 9.587 1.00 0.00 C ATOM 644 O ALA A 41 -12.233 -8.467 10.607 1.00 0.00 O ATOM 645 CB ALA A 41 -11.766 -11.025 8.855 1.00 0.00 C ATOM 0 H ALA A 41 -10.779 -10.003 6.841 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.096 -9.434 8.337 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.276 -11.252 9.791 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.143 -11.679 8.069 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.695 -11.186 8.977 1.00 0.00 H new ATOM 651 N ASN A 42 -10.403 -8.004 9.370 1.00 0.00 N ATOM 652 CA ASN A 42 -9.861 -7.006 10.291 1.00 0.00 C ATOM 653 C ASN A 42 -10.795 -5.796 10.377 1.00 0.00 C ATOM 654 O ASN A 42 -10.792 -5.062 11.363 1.00 0.00 O ATOM 655 CB ASN A 42 -8.469 -6.555 9.818 1.00 0.00 C ATOM 656 CG ASN A 42 -7.770 -5.643 10.817 1.00 0.00 C ATOM 657 OD1 ASN A 42 -7.982 -4.429 10.827 1.00 0.00 O ATOM 658 ND2 ASN A 42 -6.906 -6.221 11.641 1.00 0.00 N ATOM 0 H ASN A 42 -9.816 -8.176 8.554 1.00 0.00 H new ATOM 0 HA ASN A 42 -9.776 -7.456 11.280 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -7.849 -7.434 9.640 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.566 -6.035 8.865 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -6.388 -5.657 12.315 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.759 -7.230 11.601 1.00 0.00 H new ATOM 665 N GLY A 43 -11.605 -5.607 9.336 1.00 0.00 N ATOM 666 CA GLY A 43 -12.484 -4.451 9.257 1.00 0.00 C ATOM 667 C GLY A 43 -11.838 -3.309 8.498 1.00 0.00 C ATOM 668 O GLY A 43 -12.328 -2.179 8.515 1.00 0.00 O ATOM 0 H GLY A 43 -11.668 -6.241 8.539 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -13.415 -4.734 8.766 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.742 -4.120 10.263 1.00 0.00 H new ATOM 672 N TRP A 44 -10.730 -3.611 7.825 1.00 0.00 N ATOM 673 CA TRP A 44 -9.981 -2.610 7.075 1.00 0.00 C ATOM 674 C TRP A 44 -10.193 -2.815 5.574 1.00 0.00 C ATOM 675 O TRP A 44 -10.237 -3.955 5.099 1.00 0.00 O ATOM 676 CB TRP A 44 -8.489 -2.702 7.429 1.00 0.00 C ATOM 677 CG TRP A 44 -7.704 -1.488 7.030 1.00 0.00 C ATOM 678 CD1 TRP A 44 -6.912 -1.341 5.927 1.00 0.00 C ATOM 679 CD2 TRP A 44 -7.640 -0.247 7.738 1.00 0.00 C ATOM 680 NE1 TRP A 44 -6.361 -0.082 5.910 1.00 0.00 N ATOM 681 CE2 TRP A 44 -6.794 0.607 7.010 1.00 0.00 C ATOM 682 CE3 TRP A 44 -8.221 0.225 8.920 1.00 0.00 C ATOM 683 CZ2 TRP A 44 -6.513 1.905 7.425 1.00 0.00 C ATOM 684 CZ3 TRP A 44 -7.941 1.514 9.331 1.00 0.00 C ATOM 685 CH2 TRP A 44 -7.094 2.343 8.585 1.00 0.00 C ATOM 0 H TRP A 44 -10.330 -4.548 7.785 1.00 0.00 H new ATOM 0 HA TRP A 44 -10.341 -1.616 7.342 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -8.387 -2.854 8.504 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -8.061 -3.578 6.941 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -6.744 -2.102 5.179 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -5.732 0.280 5.194 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -8.877 -0.407 9.501 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -5.859 2.545 6.852 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -8.383 1.888 10.243 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -6.895 3.347 8.931 1.00 0.00 H new ATOM 696 N GLN A 45 -10.334 -1.712 4.839 1.00 0.00 N ATOM 697 CA GLN A 45 -10.594 -1.762 3.400 1.00 0.00 C ATOM 698 C GLN A 45 -9.293 -1.661 2.606 1.00 0.00 C ATOM 699 O GLN A 45 -8.338 -1.012 3.040 1.00 0.00 O ATOM 700 CB GLN A 45 -11.537 -0.622 2.985 1.00 0.00 C ATOM 701 CG GLN A 45 -12.884 -0.638 3.695 1.00 0.00 C ATOM 702 CD GLN A 45 -13.808 0.477 3.227 1.00 0.00 C ATOM 703 OE1 GLN A 45 -14.590 0.303 2.291 1.00 0.00 O ATOM 704 NE2 GLN A 45 -13.720 1.633 3.865 1.00 0.00 N ATOM 0 H GLN A 45 -10.272 -0.768 5.219 1.00 0.00 H new ATOM 0 HA GLN A 45 -11.067 -2.719 3.180 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -11.046 0.331 3.182 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -11.705 -0.677 1.909 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -13.368 -1.600 3.526 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -12.725 -0.546 4.769 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -13.061 1.741 4.636 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -14.311 2.416 3.586 1.00 0.00 H new ATOM 713 N LEU A 46 -9.273 -2.299 1.439 1.00 0.00 N ATOM 714 CA LEU A 46 -8.125 -2.248 0.537 1.00 0.00 C ATOM 715 C LEU A 46 -8.641 -2.209 -0.903 1.00 0.00 C ATOM 716 O LEU A 46 -9.517 -2.991 -1.271 1.00 0.00 O ATOM 717 CB LEU A 46 -7.212 -3.472 0.765 1.00 0.00 C ATOM 718 CG LEU A 46 -5.716 -3.279 0.434 1.00 0.00 C ATOM 719 CD1 LEU A 46 -5.489 -3.048 -1.059 1.00 0.00 C ATOM 720 CD2 LEU A 46 -5.131 -2.130 1.252 1.00 0.00 C ATOM 0 H LEU A 46 -10.048 -2.864 1.092 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.533 -1.354 0.733 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.296 -3.772 1.810 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.592 -4.299 0.165 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.199 -4.200 0.703 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.424 -2.917 -1.249 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.855 -3.908 -1.620 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.027 -2.154 -1.375 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.076 -2.008 1.006 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.666 -1.209 1.020 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.232 -2.351 2.314 1.00 0.00 H new ATOM 732 N GLU A 47 -8.115 -1.288 -1.704 1.00 0.00 N ATOM 733 CA GLU A 47 -8.601 -1.087 -3.067 1.00 0.00 C ATOM 734 C GLU A 47 -7.840 -1.970 -4.063 1.00 0.00 C ATOM 735 O GLU A 47 -6.616 -1.881 -4.178 1.00 0.00 O ATOM 736 CB GLU A 47 -8.472 0.393 -3.452 1.00 0.00 C ATOM 737 CG GLU A 47 -9.125 0.747 -4.781 1.00 0.00 C ATOM 738 CD GLU A 47 -9.051 2.230 -5.094 1.00 0.00 C ATOM 739 OE1 GLU A 47 -7.980 2.699 -5.534 1.00 0.00 O ATOM 740 OE2 GLU A 47 -10.062 2.939 -4.898 1.00 0.00 O ATOM 0 H GLU A 47 -7.352 -0.668 -1.434 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.651 -1.376 -3.104 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.918 1.002 -2.666 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.415 0.655 -3.497 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.640 0.187 -5.580 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.169 0.436 -4.762 1.00 0.00 H new ATOM 747 N LEU A 48 -8.581 -2.829 -4.768 1.00 0.00 N ATOM 748 CA LEU A 48 -8.015 -3.721 -5.783 1.00 0.00 C ATOM 749 C LEU A 48 -8.663 -3.460 -7.141 1.00 0.00 C ATOM 750 O LEU A 48 -9.852 -3.740 -7.325 1.00 0.00 O ATOM 751 CB LEU A 48 -8.222 -5.200 -5.407 1.00 0.00 C ATOM 752 CG LEU A 48 -7.354 -5.736 -4.258 1.00 0.00 C ATOM 753 CD1 LEU A 48 -5.887 -5.379 -4.478 1.00 0.00 C ATOM 754 CD2 LEU A 48 -7.847 -5.216 -2.915 1.00 0.00 C ATOM 0 H LEU A 48 -9.590 -2.926 -4.651 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.946 -3.517 -5.837 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.269 -5.342 -5.140 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.033 -5.808 -6.292 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.439 -6.823 -4.247 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.290 -5.768 -3.653 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.542 -5.818 -5.414 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.779 -4.295 -4.524 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.216 -5.610 -2.118 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.803 -4.127 -2.908 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.876 -5.538 -2.756 1.00 0.00 H new ATOM 766 N PRO A 49 -7.895 -2.945 -8.120 1.00 0.00 N ATOM 767 CA PRO A 49 -8.421 -2.649 -9.459 1.00 0.00 C ATOM 768 C PRO A 49 -8.822 -3.926 -10.201 1.00 0.00 C ATOM 769 O PRO A 49 -8.275 -5.001 -9.940 1.00 0.00 O ATOM 770 CB PRO A 49 -7.246 -1.950 -10.175 1.00 0.00 C ATOM 771 CG PRO A 49 -6.275 -1.595 -9.092 1.00 0.00 C ATOM 772 CD PRO A 49 -6.458 -2.632 -8.020 1.00 0.00 C ATOM 0 HA PRO A 49 -9.322 -2.036 -9.420 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.788 -2.609 -10.913 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -7.583 -1.061 -10.707 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -5.252 -1.598 -9.468 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -6.469 -0.595 -8.705 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -5.838 -3.511 -8.196 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -6.194 -2.248 -7.035 1.00 0.00 H new ATOM 780 N ALA A 50 -9.776 -3.812 -11.121 1.00 0.00 N ATOM 781 CA ALA A 50 -10.223 -4.955 -11.910 1.00 0.00 C ATOM 782 C ALA A 50 -9.149 -5.360 -12.918 1.00 0.00 C ATOM 783 O ALA A 50 -9.248 -5.056 -14.109 1.00 0.00 O ATOM 784 CB ALA A 50 -11.544 -4.644 -12.611 1.00 0.00 C ATOM 0 H ALA A 50 -10.255 -2.938 -11.338 1.00 0.00 H new ATOM 0 HA ALA A 50 -10.391 -5.796 -11.237 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -11.859 -5.510 -13.194 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -12.305 -4.411 -11.866 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -11.412 -3.789 -13.274 1.00 0.00 H new ATOM 790 N MET A 51 -8.105 -6.014 -12.418 1.00 0.00 N ATOM 791 CA MET A 51 -6.986 -6.443 -13.251 1.00 0.00 C ATOM 792 C MET A 51 -7.261 -7.821 -13.841 1.00 0.00 C ATOM 793 O MET A 51 -7.592 -7.948 -15.023 1.00 0.00 O ATOM 794 CB MET A 51 -5.684 -6.456 -12.433 1.00 0.00 C ATOM 795 CG MET A 51 -5.221 -5.074 -11.989 1.00 0.00 C ATOM 796 SD MET A 51 -4.836 -3.989 -13.380 1.00 0.00 S ATOM 797 CE MET A 51 -4.292 -2.505 -12.532 1.00 0.00 C ATOM 0 H MET A 51 -8.011 -6.260 -11.433 1.00 0.00 H new ATOM 0 HA MET A 51 -6.871 -5.734 -14.071 1.00 0.00 H new ATOM 0 HB2 MET A 51 -5.826 -7.081 -11.552 1.00 0.00 H new ATOM 0 HB3 MET A 51 -4.897 -6.918 -13.028 1.00 0.00 H new ATOM 0 HG2 MET A 51 -5.998 -4.614 -11.378 1.00 0.00 H new ATOM 0 HG3 MET A 51 -4.338 -5.176 -11.358 1.00 0.00 H new ATOM 0 HE1 MET A 51 -4.818 -1.641 -12.937 1.00 0.00 H new ATOM 0 HE2 MET A 51 -4.507 -2.595 -11.467 1.00 0.00 H new ATOM 0 HE3 MET A 51 -3.219 -2.377 -12.675 1.00 0.00 H new ATOM 807 N ALA A 52 -7.158 -8.849 -13.003 1.00 0.00 N ATOM 808 CA ALA A 52 -7.383 -10.220 -13.436 1.00 0.00 C ATOM 809 C ALA A 52 -7.688 -11.115 -12.241 1.00 0.00 C ATOM 810 O ALA A 52 -6.814 -11.374 -11.412 1.00 0.00 O ATOM 811 CB ALA A 52 -6.169 -10.749 -14.197 1.00 0.00 C ATOM 0 H ALA A 52 -6.919 -8.755 -12.016 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.243 -10.230 -14.106 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.356 -11.775 -14.513 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -5.990 -10.127 -15.074 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.293 -10.723 -13.548 1.00 0.00 H new ATOM 817 N ALA A 53 -8.934 -11.565 -12.146 1.00 0.00 N ATOM 818 CA ALA A 53 -9.329 -12.512 -11.110 1.00 0.00 C ATOM 819 C ALA A 53 -8.645 -13.853 -11.354 1.00 0.00 C ATOM 820 O ALA A 53 -8.330 -14.591 -10.416 1.00 0.00 O ATOM 821 CB ALA A 53 -10.846 -12.672 -11.085 1.00 0.00 C ATOM 0 H ALA A 53 -9.689 -11.289 -12.774 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.016 -12.131 -10.138 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.124 -13.382 -10.306 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -11.310 -11.708 -10.879 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -11.189 -13.041 -12.052 1.00 0.00 H new ATOM 827 N ASP A 54 -8.404 -14.148 -12.631 1.00 0.00 N ATOM 828 CA ASP A 54 -7.720 -15.372 -13.033 1.00 0.00 C ATOM 829 C ASP A 54 -6.235 -15.282 -12.710 1.00 0.00 C ATOM 830 O ASP A 54 -5.427 -14.850 -13.536 1.00 0.00 O ATOM 831 CB ASP A 54 -7.924 -15.652 -14.530 1.00 0.00 C ATOM 832 CG ASP A 54 -9.358 -16.020 -14.867 1.00 0.00 C ATOM 833 OD1 ASP A 54 -10.164 -15.106 -15.154 1.00 0.00 O ATOM 834 OD2 ASP A 54 -9.688 -17.227 -14.847 1.00 0.00 O ATOM 0 H ASP A 54 -8.676 -13.548 -13.410 1.00 0.00 H new ATOM 0 HA ASP A 54 -8.152 -16.200 -12.471 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.635 -14.771 -15.103 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -7.263 -16.463 -14.837 1.00 0.00 H new ATOM 839 N THR A 55 -5.892 -15.655 -11.487 1.00 0.00 N ATOM 840 CA THR A 55 -4.509 -15.672 -11.036 1.00 0.00 C ATOM 841 C THR A 55 -4.258 -16.928 -10.196 1.00 0.00 C ATOM 842 O THR A 55 -4.772 -17.047 -9.085 1.00 0.00 O ATOM 843 CB THR A 55 -4.177 -14.404 -10.213 1.00 0.00 C ATOM 844 OG1 THR A 55 -4.529 -13.231 -10.964 1.00 0.00 O ATOM 845 CG2 THR A 55 -2.695 -14.348 -9.860 1.00 0.00 C ATOM 0 H THR A 55 -6.563 -15.954 -10.780 1.00 0.00 H new ATOM 0 HA THR A 55 -3.859 -15.684 -11.911 1.00 0.00 H new ATOM 0 HB THR A 55 -4.753 -14.442 -9.288 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.460 -12.989 -10.775 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.492 -13.446 -9.282 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.428 -15.225 -9.270 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.103 -14.333 -10.775 1.00 0.00 H new ATOM 853 N PRO A 56 -3.489 -17.895 -10.733 1.00 0.00 N ATOM 854 CA PRO A 56 -3.240 -19.184 -10.068 1.00 0.00 C ATOM 855 C PRO A 56 -2.104 -19.125 -9.043 1.00 0.00 C ATOM 856 O PRO A 56 -1.596 -20.162 -8.607 1.00 0.00 O ATOM 857 CB PRO A 56 -2.853 -20.077 -11.246 1.00 0.00 C ATOM 858 CG PRO A 56 -2.112 -19.157 -12.156 1.00 0.00 C ATOM 859 CD PRO A 56 -2.804 -17.819 -12.044 1.00 0.00 C ATOM 0 HA PRO A 56 -4.099 -19.527 -9.492 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.230 -20.913 -10.928 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.731 -20.501 -11.733 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -1.064 -19.080 -11.866 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.132 -19.523 -13.183 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.092 -16.994 -12.078 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.511 -17.663 -12.858 1.00 0.00 H new ATOM 867 N LEU A 57 -1.704 -17.915 -8.666 1.00 0.00 N ATOM 868 CA LEU A 57 -0.628 -17.719 -7.693 1.00 0.00 C ATOM 869 C LEU A 57 -0.898 -16.482 -6.831 1.00 0.00 C ATOM 870 O LEU A 57 -1.700 -15.626 -7.208 1.00 0.00 O ATOM 871 CB LEU A 57 0.732 -17.616 -8.422 1.00 0.00 C ATOM 872 CG LEU A 57 0.830 -16.587 -9.573 1.00 0.00 C ATOM 873 CD1 LEU A 57 0.927 -15.154 -9.049 1.00 0.00 C ATOM 874 CD2 LEU A 57 2.020 -16.908 -10.473 1.00 0.00 C ATOM 0 H LEU A 57 -2.110 -17.049 -9.020 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.591 -18.580 -7.026 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.496 -17.373 -7.683 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.978 -18.599 -8.823 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.087 -16.660 -10.158 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.994 -14.463 -9.889 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.041 -14.922 -8.458 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.815 -15.054 -8.425 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.075 -16.175 -11.278 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.939 -16.874 -9.887 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.897 -17.904 -10.897 1.00 0.00 H new ATOM 886 N PRO A 58 -0.257 -16.382 -5.647 1.00 0.00 N ATOM 887 CA PRO A 58 -0.369 -15.194 -4.794 1.00 0.00 C ATOM 888 C PRO A 58 0.277 -13.971 -5.454 1.00 0.00 C ATOM 889 O PRO A 58 1.505 -13.868 -5.536 1.00 0.00 O ATOM 890 CB PRO A 58 0.372 -15.597 -3.509 1.00 0.00 C ATOM 891 CG PRO A 58 1.304 -16.685 -3.927 1.00 0.00 C ATOM 892 CD PRO A 58 0.605 -17.420 -5.040 1.00 0.00 C ATOM 0 HA PRO A 58 -1.403 -14.905 -4.608 1.00 0.00 H new ATOM 0 HB2 PRO A 58 0.916 -14.753 -3.085 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -0.323 -15.944 -2.745 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.256 -16.276 -4.266 1.00 0.00 H new ATOM 0 HG3 PRO A 58 1.523 -17.353 -3.094 1.00 0.00 H new ATOM 0 HD2 PRO A 58 1.314 -17.826 -5.761 1.00 0.00 H new ATOM 0 HD3 PRO A 58 0.020 -18.258 -4.663 1.00 0.00 H new ATOM 900 N ILE A 59 -0.562 -13.060 -5.934 1.00 0.00 N ATOM 901 CA ILE A 59 -0.106 -11.890 -6.687 1.00 0.00 C ATOM 902 C ILE A 59 0.187 -10.713 -5.753 1.00 0.00 C ATOM 903 O ILE A 59 -0.466 -10.550 -4.720 1.00 0.00 O ATOM 904 CB ILE A 59 -1.162 -11.472 -7.746 1.00 0.00 C ATOM 905 CG1 ILE A 59 -0.731 -10.189 -8.488 1.00 0.00 C ATOM 906 CG2 ILE A 59 -2.530 -11.292 -7.092 1.00 0.00 C ATOM 907 CD1 ILE A 59 -1.709 -9.733 -9.554 1.00 0.00 C ATOM 0 H ILE A 59 -1.574 -13.108 -5.815 1.00 0.00 H new ATOM 0 HA ILE A 59 0.817 -12.166 -7.197 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.236 -12.270 -8.485 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.603 -9.387 -7.761 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.241 -10.359 -8.951 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.259 -10.999 -7.848 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.840 -12.231 -6.633 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.469 -10.517 -6.328 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.334 -8.826 -10.028 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.820 -10.516 -10.304 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -2.677 -9.529 -9.096 1.00 0.00 H new ATOM 919 N THR A 60 1.178 -9.904 -6.117 1.00 0.00 N ATOM 920 CA THR A 60 1.556 -8.732 -5.335 1.00 0.00 C ATOM 921 C THR A 60 1.193 -7.451 -6.090 1.00 0.00 C ATOM 922 O THR A 60 1.482 -7.322 -7.283 1.00 0.00 O ATOM 923 CB THR A 60 3.071 -8.737 -5.032 1.00 0.00 C ATOM 924 OG1 THR A 60 3.458 -10.014 -4.505 1.00 0.00 O ATOM 925 CG2 THR A 60 3.438 -7.640 -4.033 1.00 0.00 C ATOM 0 H THR A 60 1.739 -10.042 -6.958 1.00 0.00 H new ATOM 0 HA THR A 60 1.009 -8.766 -4.393 1.00 0.00 H new ATOM 0 HB THR A 60 3.603 -8.546 -5.964 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.420 -10.012 -4.316 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.510 -7.668 -3.839 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.169 -6.668 -4.445 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.897 -7.801 -3.101 1.00 0.00 H new ATOM 933 N VAL A 61 0.557 -6.509 -5.395 1.00 0.00 N ATOM 934 CA VAL A 61 0.134 -5.241 -5.995 1.00 0.00 C ATOM 935 C VAL A 61 0.372 -4.085 -5.026 1.00 0.00 C ATOM 936 O VAL A 61 0.812 -4.294 -3.893 1.00 0.00 O ATOM 937 CB VAL A 61 -1.366 -5.263 -6.404 1.00 0.00 C ATOM 938 CG1 VAL A 61 -1.603 -6.217 -7.575 1.00 0.00 C ATOM 939 CG2 VAL A 61 -2.245 -5.637 -5.209 1.00 0.00 C ATOM 0 H VAL A 61 0.321 -6.600 -4.407 1.00 0.00 H new ATOM 0 HA VAL A 61 0.733 -5.100 -6.895 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.642 -4.260 -6.731 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.660 -6.212 -7.840 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.013 -5.894 -8.433 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.305 -7.226 -7.289 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.291 -5.647 -5.516 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.964 -6.626 -4.846 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.107 -4.905 -4.413 1.00 0.00 H new ATOM 949 N GLU A 62 0.081 -2.867 -5.480 1.00 0.00 N ATOM 950 CA GLU A 62 0.237 -1.679 -4.652 1.00 0.00 C ATOM 951 C GLU A 62 -1.017 -1.453 -3.812 1.00 0.00 C ATOM 952 O GLU A 62 -2.106 -1.243 -4.351 1.00 0.00 O ATOM 953 CB GLU A 62 0.516 -0.448 -5.523 1.00 0.00 C ATOM 954 CG GLU A 62 0.675 0.844 -4.727 1.00 0.00 C ATOM 955 CD GLU A 62 1.054 2.026 -5.602 1.00 0.00 C ATOM 956 OE1 GLU A 62 0.152 2.642 -6.203 1.00 0.00 O ATOM 957 OE2 GLU A 62 2.262 2.338 -5.701 1.00 0.00 O ATOM 0 H GLU A 62 -0.265 -2.680 -6.421 1.00 0.00 H new ATOM 0 HA GLU A 62 1.086 -1.833 -3.986 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.423 -0.622 -6.102 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.299 -0.327 -6.237 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.258 1.065 -4.209 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.439 0.703 -3.962 1.00 0.00 H new ATOM 964 N ALA A 63 -0.855 -1.497 -2.496 1.00 0.00 N ATOM 965 CA ALA A 63 -1.968 -1.301 -1.575 1.00 0.00 C ATOM 966 C ALA A 63 -2.438 0.149 -1.589 1.00 0.00 C ATOM 967 O ALA A 63 -1.730 1.040 -1.120 1.00 0.00 O ATOM 968 CB ALA A 63 -1.556 -1.698 -0.160 1.00 0.00 C ATOM 0 H ALA A 63 0.041 -1.668 -2.040 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.793 -1.934 -1.901 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.395 -1.547 0.519 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.263 -2.748 -0.147 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.715 -1.083 0.160 1.00 0.00 H new ATOM 974 N ARG A 64 -3.623 0.388 -2.139 1.00 0.00 N ATOM 975 CA ARG A 64 -4.220 1.714 -2.094 1.00 0.00 C ATOM 976 C ARG A 64 -5.138 1.792 -0.876 1.00 0.00 C ATOM 977 O ARG A 64 -6.244 1.246 -0.878 1.00 0.00 O ATOM 978 CB ARG A 64 -4.980 2.026 -3.399 1.00 0.00 C ATOM 979 CG ARG A 64 -5.003 3.513 -3.770 1.00 0.00 C ATOM 980 CD ARG A 64 -5.874 4.348 -2.831 1.00 0.00 C ATOM 981 NE ARG A 64 -7.301 4.119 -3.056 1.00 0.00 N ATOM 982 CZ ARG A 64 -8.272 4.596 -2.275 1.00 0.00 C ATOM 983 NH1 ARG A 64 -7.975 5.265 -1.169 1.00 0.00 N ATOM 984 NH2 ARG A 64 -9.542 4.393 -2.597 1.00 0.00 N ATOM 0 H ARG A 64 -4.185 -0.315 -2.618 1.00 0.00 H new ATOM 0 HA ARG A 64 -3.437 2.467 -2.003 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -4.524 1.466 -4.215 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.006 1.671 -3.303 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -3.985 3.902 -3.754 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.370 3.622 -4.791 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -5.627 4.106 -1.797 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -5.650 5.405 -2.973 1.00 0.00 H new ATOM 0 HE ARG A 64 -7.572 3.558 -3.863 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.000 5.417 -0.911 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.722 5.627 -0.576 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -9.777 3.872 -3.442 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.284 4.758 -2.000 1.00 0.00 H new ATOM 998 N LYS A 65 -4.639 2.433 0.173 1.00 0.00 N ATOM 999 CA LYS A 65 -5.347 2.547 1.444 1.00 0.00 C ATOM 1000 C LYS A 65 -6.511 3.527 1.340 1.00 0.00 C ATOM 1001 O LYS A 65 -6.342 4.654 0.866 1.00 0.00 O ATOM 1002 CB LYS A 65 -4.362 3.003 2.531 1.00 0.00 C ATOM 1003 CG LYS A 65 -5.014 3.439 3.841 1.00 0.00 C ATOM 1004 CD LYS A 65 -3.968 3.892 4.857 1.00 0.00 C ATOM 1005 CE LYS A 65 -4.604 4.560 6.069 1.00 0.00 C ATOM 1006 NZ LYS A 65 -5.304 5.823 5.710 1.00 0.00 N ATOM 0 H LYS A 65 -3.728 2.891 0.167 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.758 1.572 1.706 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -3.669 2.188 2.740 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.771 3.832 2.142 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.713 4.253 3.649 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.592 2.613 4.255 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -3.382 3.032 5.182 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -3.277 4.587 4.381 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -5.312 3.872 6.531 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -3.834 4.771 6.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.454 6.393 6.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.725 6.361 5.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.223 5.600 5.278 1.00 0.00 H new ATOM 1020 N LEU A 66 -7.687 3.091 1.784 1.00 0.00 N ATOM 1021 CA LEU A 66 -8.866 3.948 1.816 1.00 0.00 C ATOM 1022 C LEU A 66 -8.891 4.732 3.128 1.00 0.00 C ATOM 1023 O LEU A 66 -9.247 4.142 4.169 1.00 0.00 O ATOM 1024 CB LEU A 66 -10.164 3.124 1.657 1.00 0.00 C ATOM 1025 CG LEU A 66 -10.360 2.422 0.296 1.00 0.00 C ATOM 1026 CD1 LEU A 66 -9.358 1.287 0.110 1.00 0.00 C ATOM 1027 CD2 LEU A 66 -11.792 1.905 0.157 1.00 0.00 C ATOM 1028 OXT LEU A 66 -8.537 5.930 3.122 1.00 0.00 O ATOM 0 H LEU A 66 -7.848 2.144 2.128 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.812 4.643 0.978 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -10.188 2.366 2.440 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -11.013 3.785 1.827 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.181 3.158 -0.488 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.521 0.812 -0.857 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.344 1.686 0.152 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.491 0.551 0.903 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -11.909 1.414 -0.809 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -12.000 1.192 0.955 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -12.489 2.740 0.226 1.00 0.00 H new TER 1040 LEU A 66