USER MOD reduce.3.24.130724 H: found=0, std=0, add=343, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 345 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 16 GLN : amide:sc= -1.94 K(o=-3.3,f=-1.1) USER MOD Set 1.2: A 19 MET CE :methyl -174:sc= -1.38 (180deg=-0.325) USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.168 (180deg=-0.669) USER MOD Single : A 5 THR OG1 : rot -10:sc= 0.275 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 68:sc= 0.941 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 72:sc= 0.296 USER MOD Single : A 42 MET CE :methyl 166:sc=-0.00791 (180deg=-0.234) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.265 8.274 88.672 1.00 0.00 N ATOM 2 CA GLY A 1 10.363 9.219 88.715 1.00 0.00 C ATOM 3 C GLY A 1 11.339 8.934 87.585 1.00 0.00 C ATOM 4 O GLY A 1 11.140 8.012 86.798 1.00 0.00 O ATOM 0 H1 GLY A 1 8.363 8.787 88.736 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.299 7.743 87.778 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.345 7.613 89.471 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.981 10.236 88.629 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.875 9.151 89.675 1.00 0.00 H new ATOM 8 N VAL A 2 12.395 9.742 87.520 1.00 0.00 N ATOM 9 CA VAL A 2 13.423 9.600 86.494 1.00 0.00 C ATOM 10 C VAL A 2 14.236 8.337 86.725 1.00 0.00 C ATOM 11 O VAL A 2 14.527 7.588 85.793 1.00 0.00 O ATOM 12 CB VAL A 2 14.394 10.795 86.499 1.00 0.00 C ATOM 13 CG1 VAL A 2 15.559 10.539 85.555 1.00 0.00 C ATOM 14 CG2 VAL A 2 13.682 12.062 86.051 1.00 0.00 C ATOM 0 H VAL A 2 12.561 10.508 88.173 1.00 0.00 H new ATOM 0 HA VAL A 2 12.908 9.553 85.535 1.00 0.00 H new ATOM 0 HB VAL A 2 14.763 10.918 87.517 1.00 0.00 H new ATOM 0 HG11 VAL A 2 16.235 11.394 85.571 1.00 0.00 H new ATOM 0 HG12 VAL A 2 16.096 9.646 85.874 1.00 0.00 H new ATOM 0 HG13 VAL A 2 15.182 10.394 84.543 1.00 0.00 H new ATOM 0 HG21 VAL A 2 14.383 12.896 86.061 1.00 0.00 H new ATOM 0 HG22 VAL A 2 13.296 11.924 85.041 1.00 0.00 H new ATOM 0 HG23 VAL A 2 12.856 12.275 86.730 1.00 0.00 H new ATOM 24 N ILE A 3 14.599 8.110 87.984 1.00 0.00 N ATOM 25 CA ILE A 3 15.382 6.940 88.371 1.00 0.00 C ATOM 26 C ILE A 3 14.576 5.668 88.163 1.00 0.00 C ATOM 27 O ILE A 3 15.101 4.648 87.719 1.00 0.00 O ATOM 28 CB ILE A 3 15.795 7.002 89.853 1.00 0.00 C ATOM 29 CG1 ILE A 3 16.779 8.150 90.085 1.00 0.00 C ATOM 30 CG2 ILE A 3 16.462 5.702 90.276 1.00 0.00 C ATOM 31 CD1 ILE A 3 17.047 8.439 91.546 1.00 0.00 C ATOM 0 H ILE A 3 14.361 8.727 88.760 1.00 0.00 H new ATOM 0 HA ILE A 3 16.274 6.935 87.745 1.00 0.00 H new ATOM 0 HB ILE A 3 14.893 7.162 90.444 1.00 0.00 H new ATOM 0 HG12 ILE A 3 17.722 7.913 89.592 1.00 0.00 H new ATOM 0 HG13 ILE A 3 16.390 9.051 89.611 1.00 0.00 H new ATOM 0 HG21 ILE A 3 16.747 5.764 91.326 1.00 0.00 H new ATOM 0 HG22 ILE A 3 15.767 4.874 90.137 1.00 0.00 H new ATOM 0 HG23 ILE A 3 17.351 5.535 89.668 1.00 0.00 H new ATOM 0 HD11 ILE A 3 17.754 9.265 91.630 1.00 0.00 H new ATOM 0 HD12 ILE A 3 16.114 8.708 92.041 1.00 0.00 H new ATOM 0 HD13 ILE A 3 17.467 7.552 92.021 1.00 0.00 H new ATOM 43 N ASP A 4 13.290 5.742 88.491 1.00 0.00 N ATOM 44 CA ASP A 4 12.382 4.608 88.351 1.00 0.00 C ATOM 45 C ASP A 4 12.463 4.032 86.946 1.00 0.00 C ATOM 46 O ASP A 4 12.450 2.817 86.755 1.00 0.00 O ATOM 47 CB ASP A 4 10.938 5.042 88.614 1.00 0.00 C ATOM 48 CG ASP A 4 10.678 5.345 90.076 1.00 0.00 C ATOM 49 OD1 ASP A 4 9.503 5.566 90.437 1.00 0.00 O ATOM 50 OD2 ASP A 4 11.649 5.363 90.861 1.00 0.00 O ATOM 0 H ASP A 4 12.849 6.585 88.859 1.00 0.00 H new ATOM 0 HA ASP A 4 12.679 3.852 89.078 1.00 0.00 H new ATOM 0 HB2 ASP A 4 10.714 5.927 88.018 1.00 0.00 H new ATOM 0 HB3 ASP A 4 10.260 4.255 88.284 1.00 0.00 H new ATOM 56 N THR A 5 12.546 4.925 85.963 1.00 0.00 N ATOM 57 CA THR A 5 12.629 4.533 84.559 1.00 0.00 C ATOM 58 C THR A 5 14.080 4.478 84.108 1.00 0.00 C ATOM 59 O THR A 5 14.378 4.146 82.962 1.00 0.00 O ATOM 60 CB THR A 5 11.887 5.530 83.650 1.00 0.00 C ATOM 61 OG1 THR A 5 12.490 6.825 83.764 1.00 0.00 O ATOM 62 CG2 THR A 5 10.424 5.631 84.052 1.00 0.00 C ATOM 0 H THR A 5 12.558 5.933 86.115 1.00 0.00 H new ATOM 0 HA THR A 5 12.165 3.550 84.476 1.00 0.00 H new ATOM 0 HB THR A 5 11.952 5.175 82.622 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.127 6.825 84.509 1.00 0.00 H new ATOM 0 HG21 THR A 5 9.915 6.340 83.399 1.00 0.00 H new ATOM 0 HG22 THR A 5 9.953 4.652 83.961 1.00 0.00 H new ATOM 0 HG23 THR A 5 10.353 5.973 85.084 1.00 0.00 H new ATOM 70 N SER A 6 14.981 4.808 85.029 1.00 0.00 N ATOM 71 CA SER A 6 16.415 4.805 84.753 1.00 0.00 C ATOM 72 C SER A 6 16.826 3.505 84.081 1.00 0.00 C ATOM 73 O SER A 6 17.341 3.500 82.964 1.00 0.00 O ATOM 74 CB SER A 6 17.211 4.950 86.052 1.00 0.00 C ATOM 75 OG SER A 6 18.605 4.940 85.799 1.00 0.00 O ATOM 0 H SER A 6 14.741 5.083 85.981 1.00 0.00 H new ATOM 0 HA SER A 6 16.627 5.646 84.093 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.935 5.880 86.550 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.956 4.137 86.732 1.00 0.00 H new ATOM 0 HG SER A 6 19.092 5.036 86.644 1.00 0.00 H new ATOM 81 N ALA A 7 16.590 2.398 84.780 1.00 0.00 N ATOM 82 CA ALA A 7 16.926 1.070 84.274 1.00 0.00 C ATOM 83 C ALA A 7 16.184 0.790 82.977 1.00 0.00 C ATOM 84 O ALA A 7 16.742 0.236 82.031 1.00 0.00 O ATOM 85 CB ALA A 7 16.542 0.003 85.288 1.00 0.00 C ATOM 0 H ALA A 7 16.164 2.395 85.707 1.00 0.00 H new ATOM 0 HA ALA A 7 18.001 1.044 84.097 1.00 0.00 H new ATOM 0 HB1 ALA A 7 16.799 -0.981 84.896 1.00 0.00 H new ATOM 0 HB2 ALA A 7 17.082 0.175 86.219 1.00 0.00 H new ATOM 0 HB3 ALA A 7 15.469 0.050 85.477 1.00 0.00 H new ATOM 91 N VAL A 8 14.914 1.184 82.946 1.00 0.00 N ATOM 92 CA VAL A 8 14.065 0.988 81.774 1.00 0.00 C ATOM 93 C VAL A 8 14.609 1.767 80.588 1.00 0.00 C ATOM 94 O VAL A 8 14.629 1.277 79.460 1.00 0.00 O ATOM 95 CB VAL A 8 12.624 1.466 82.034 1.00 0.00 C ATOM 96 CG1 VAL A 8 11.816 1.448 80.746 1.00 0.00 C ATOM 97 CG2 VAL A 8 11.937 0.561 83.045 1.00 0.00 C ATOM 0 H VAL A 8 14.447 1.645 83.727 1.00 0.00 H new ATOM 0 HA VAL A 8 14.061 -0.081 81.561 1.00 0.00 H new ATOM 0 HB VAL A 8 12.677 2.483 82.423 1.00 0.00 H new ATOM 0 HG11 VAL A 8 10.801 1.789 80.949 1.00 0.00 H new ATOM 0 HG12 VAL A 8 12.282 2.109 80.015 1.00 0.00 H new ATOM 0 HG13 VAL A 8 11.786 0.433 80.350 1.00 0.00 H new ATOM 0 HG21 VAL A 8 10.920 0.913 83.217 1.00 0.00 H new ATOM 0 HG22 VAL A 8 11.908 -0.458 82.660 1.00 0.00 H new ATOM 0 HG23 VAL A 8 12.490 0.578 83.984 1.00 0.00 H new ATOM 107 N GLU A 9 15.051 2.993 80.858 1.00 0.00 N ATOM 108 CA GLU A 9 15.603 3.868 79.828 1.00 0.00 C ATOM 109 C GLU A 9 16.775 3.196 79.131 1.00 0.00 C ATOM 110 O GLU A 9 16.944 3.309 77.918 1.00 0.00 O ATOM 111 CB GLU A 9 16.094 5.179 80.445 1.00 0.00 C ATOM 112 CG GLU A 9 16.623 6.182 79.433 1.00 0.00 C ATOM 113 CD GLU A 9 17.053 7.486 80.075 1.00 0.00 C ATOM 114 OE1 GLU A 9 16.939 7.604 81.314 1.00 0.00 O ATOM 115 OE2 GLU A 9 17.505 8.390 79.341 1.00 0.00 O ATOM 0 H GLU A 9 15.037 3.405 81.791 1.00 0.00 H new ATOM 0 HA GLU A 9 14.812 4.073 79.107 1.00 0.00 H new ATOM 0 HB2 GLU A 9 15.274 5.636 80.999 1.00 0.00 H new ATOM 0 HB3 GLU A 9 16.881 4.957 81.165 1.00 0.00 H new ATOM 0 HG2 GLU A 9 17.470 5.746 78.903 1.00 0.00 H new ATOM 0 HG3 GLU A 9 15.852 6.384 78.690 1.00 0.00 H new ATOM 123 N SER A 10 17.585 2.493 79.917 1.00 0.00 N ATOM 124 CA SER A 10 18.754 1.788 79.401 1.00 0.00 C ATOM 125 C SER A 10 18.350 0.452 78.800 1.00 0.00 C ATOM 126 O SER A 10 18.753 0.105 77.691 1.00 0.00 O ATOM 127 CB SER A 10 19.761 1.527 80.523 1.00 0.00 C ATOM 128 OG SER A 10 20.264 2.743 81.049 1.00 0.00 O ATOM 0 H SER A 10 17.451 2.396 80.924 1.00 0.00 H new ATOM 0 HA SER A 10 19.207 2.416 78.634 1.00 0.00 H new ATOM 0 HB2 SER A 10 19.284 0.953 81.318 1.00 0.00 H new ATOM 0 HB3 SER A 10 20.585 0.923 80.143 1.00 0.00 H new ATOM 0 HG SER A 10 20.904 2.550 81.765 1.00 0.00 H new ATOM 134 N ALA A 11 17.544 -0.295 79.551 1.00 0.00 N ATOM 135 CA ALA A 11 17.066 -1.604 79.116 1.00 0.00 C ATOM 136 C ALA A 11 16.139 -1.462 77.920 1.00 0.00 C ATOM 137 O ALA A 11 16.171 -2.267 76.991 1.00 0.00 O ATOM 138 CB ALA A 11 16.302 -2.290 80.239 1.00 0.00 C ATOM 0 H ALA A 11 17.206 -0.012 80.471 1.00 0.00 H new ATOM 0 HA ALA A 11 17.935 -2.201 78.840 1.00 0.00 H new ATOM 0 HB1 ALA A 11 15.952 -3.265 79.899 1.00 0.00 H new ATOM 0 HB2 ALA A 11 16.959 -2.420 81.099 1.00 0.00 H new ATOM 0 HB3 ALA A 11 15.447 -1.677 80.525 1.00 0.00 H new ATOM 144 N ILE A 12 15.309 -0.423 77.956 1.00 0.00 N ATOM 145 CA ILE A 12 14.357 -0.147 76.885 1.00 0.00 C ATOM 146 C ILE A 12 15.088 0.247 75.612 1.00 0.00 C ATOM 147 O ILE A 12 14.777 -0.236 74.524 1.00 0.00 O ATOM 148 CB ILE A 12 13.404 1.003 77.259 1.00 0.00 C ATOM 149 CG1 ILE A 12 12.492 0.586 78.415 1.00 0.00 C ATOM 150 CG2 ILE A 12 12.534 1.382 76.071 1.00 0.00 C ATOM 151 CD1 ILE A 12 11.614 -0.604 78.100 1.00 0.00 C ATOM 0 H ILE A 12 15.277 0.248 78.724 1.00 0.00 H new ATOM 0 HA ILE A 12 13.782 -1.060 76.729 1.00 0.00 H new ATOM 0 HB ILE A 12 14.013 1.857 77.557 1.00 0.00 H new ATOM 0 HG12 ILE A 12 13.107 0.352 79.284 1.00 0.00 H new ATOM 0 HG13 ILE A 12 11.859 1.430 78.689 1.00 0.00 H new ATOM 0 HG21 ILE A 12 11.867 2.196 76.354 1.00 0.00 H new ATOM 0 HG22 ILE A 12 13.167 1.702 75.244 1.00 0.00 H new ATOM 0 HG23 ILE A 12 11.943 0.519 75.763 1.00 0.00 H new ATOM 0 HD11 ILE A 12 10.996 -0.840 78.967 1.00 0.00 H new ATOM 0 HD12 ILE A 12 10.973 -0.368 77.251 1.00 0.00 H new ATOM 0 HD13 ILE A 12 12.239 -1.463 77.855 1.00 0.00 H new ATOM 163 N THR A 13 16.068 1.134 75.763 1.00 0.00 N ATOM 164 CA THR A 13 16.865 1.615 74.638 1.00 0.00 C ATOM 165 C THR A 13 17.671 0.478 74.032 1.00 0.00 C ATOM 166 O THR A 13 17.773 0.350 72.813 1.00 0.00 O ATOM 167 CB THR A 13 17.851 2.714 75.074 1.00 0.00 C ATOM 168 OG1 THR A 13 17.123 3.840 75.581 1.00 0.00 O ATOM 169 CG2 THR A 13 18.699 3.167 73.896 1.00 0.00 C ATOM 0 H THR A 13 16.331 1.537 76.662 1.00 0.00 H new ATOM 0 HA THR A 13 16.167 2.021 73.906 1.00 0.00 H new ATOM 0 HB THR A 13 18.501 2.307 75.849 1.00 0.00 H new ATOM 0 HG1 THR A 13 16.685 3.594 76.423 1.00 0.00 H new ATOM 0 HG21 THR A 13 19.390 3.944 74.223 1.00 0.00 H new ATOM 0 HG22 THR A 13 19.263 2.320 73.507 1.00 0.00 H new ATOM 0 HG23 THR A 13 18.052 3.563 73.113 1.00 0.00 H new ATOM 177 N ASP A 14 18.245 -0.348 74.903 1.00 0.00 N ATOM 178 CA ASP A 14 19.052 -1.489 74.481 1.00 0.00 C ATOM 179 C ASP A 14 18.180 -2.542 73.820 1.00 0.00 C ATOM 180 O ASP A 14 18.480 -3.023 72.728 1.00 0.00 O ATOM 181 CB ASP A 14 19.750 -2.126 75.684 1.00 0.00 C ATOM 182 CG ASP A 14 20.867 -1.260 76.235 1.00 0.00 C ATOM 183 OD1 ASP A 14 21.599 -1.733 77.130 1.00 0.00 O ATOM 184 OD2 ASP A 14 21.010 -0.109 75.771 1.00 0.00 O ATOM 0 H ASP A 14 18.165 -0.246 75.915 1.00 0.00 H new ATOM 0 HA ASP A 14 19.795 -1.125 73.772 1.00 0.00 H new ATOM 0 HB2 ASP A 14 19.017 -2.310 76.469 1.00 0.00 H new ATOM 0 HB3 ASP A 14 20.156 -3.095 75.393 1.00 0.00 H new ATOM 190 N GLY A 15 17.092 -2.896 74.498 1.00 0.00 N ATOM 191 CA GLY A 15 16.152 -3.895 73.998 1.00 0.00 C ATOM 192 C GLY A 15 15.171 -3.264 73.023 1.00 0.00 C ATOM 193 O GLY A 15 15.189 -3.551 71.827 1.00 0.00 O ATOM 0 H GLY A 15 16.838 -2.502 75.404 1.00 0.00 H new ATOM 0 HA2 GLY A 15 16.697 -4.700 73.505 1.00 0.00 H new ATOM 0 HA3 GLY A 15 15.609 -4.341 74.831 1.00 0.00 H new ATOM 197 N GLN A 16 14.312 -2.397 73.552 1.00 0.00 N ATOM 198 CA GLN A 16 13.308 -1.705 72.750 1.00 0.00 C ATOM 199 C GLN A 16 13.944 -1.097 71.510 1.00 0.00 C ATOM 200 O GLN A 16 13.513 -1.348 70.386 1.00 0.00 O ATOM 201 CB GLN A 16 12.656 -0.582 73.560 1.00 0.00 C ATOM 202 CG GLN A 16 11.564 0.167 72.814 1.00 0.00 C ATOM 203 CD GLN A 16 10.374 -0.713 72.486 1.00 0.00 C ATOM 204 OE1 GLN A 16 9.786 -1.333 73.372 1.00 0.00 O ATOM 205 NE2 GLN A 16 10.015 -0.769 71.209 1.00 0.00 N ATOM 0 H GLN A 16 14.292 -2.155 74.543 1.00 0.00 H new ATOM 0 HA GLN A 16 12.554 -2.436 72.458 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.234 -1.004 74.472 1.00 0.00 H new ATOM 0 HB3 GLN A 16 13.426 0.127 73.863 1.00 0.00 H new ATOM 0 HG2 GLN A 16 11.231 1.012 73.417 1.00 0.00 H new ATOM 0 HG3 GLN A 16 11.974 0.576 71.891 1.00 0.00 H new ATOM 0 HE21 GLN A 16 10.533 -0.237 70.510 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.221 -1.344 70.927 1.00 0.00 H new ATOM 214 N GLY A 17 14.979 -0.291 71.732 1.00 0.00 N ATOM 215 CA GLY A 17 15.698 0.371 70.647 1.00 0.00 C ATOM 216 C GLY A 17 16.105 -0.638 69.585 1.00 0.00 C ATOM 217 O GLY A 17 15.912 -0.417 68.391 1.00 0.00 O ATOM 0 H GLY A 17 15.341 -0.079 72.662 1.00 0.00 H new ATOM 0 HA2 GLY A 17 15.068 1.142 70.203 1.00 0.00 H new ATOM 0 HA3 GLY A 17 16.583 0.870 71.041 1.00 0.00 H new ATOM 221 N ASP A 18 16.673 -1.752 70.038 1.00 0.00 N ATOM 222 CA ASP A 18 17.121 -2.817 69.146 1.00 0.00 C ATOM 223 C ASP A 18 15.975 -3.291 68.267 1.00 0.00 C ATOM 224 O ASP A 18 16.180 -3.987 67.274 1.00 0.00 O ATOM 225 CB ASP A 18 17.638 -4.010 69.953 1.00 0.00 C ATOM 226 CG ASP A 18 18.953 -3.718 70.647 1.00 0.00 C ATOM 227 OD1 ASP A 18 19.810 -4.625 70.702 1.00 0.00 O ATOM 228 OD2 ASP A 18 19.127 -2.582 71.136 1.00 0.00 O ATOM 0 H ASP A 18 16.835 -1.941 71.027 1.00 0.00 H new ATOM 0 HA ASP A 18 17.922 -2.416 68.525 1.00 0.00 H new ATOM 0 HB2 ASP A 18 16.893 -4.291 70.698 1.00 0.00 H new ATOM 0 HB3 ASP A 18 17.764 -4.866 69.290 1.00 0.00 H new ATOM 234 N MET A 19 14.761 -2.903 68.646 1.00 0.00 N ATOM 235 CA MET A 19 13.557 -3.275 67.909 1.00 0.00 C ATOM 236 C MET A 19 13.573 -2.660 66.519 1.00 0.00 C ATOM 237 O MET A 19 13.226 -3.309 65.533 1.00 0.00 O ATOM 238 CB MET A 19 12.307 -2.783 68.641 1.00 0.00 C ATOM 239 CG MET A 19 11.000 -3.200 67.987 1.00 0.00 C ATOM 240 SD MET A 19 9.553 -2.613 68.888 1.00 0.00 S ATOM 241 CE MET A 19 9.642 -3.620 70.366 1.00 0.00 C ATOM 0 H MET A 19 14.584 -2.325 69.468 1.00 0.00 H new ATOM 0 HA MET A 19 13.537 -4.362 67.833 1.00 0.00 H new ATOM 0 HB2 MET A 19 12.326 -3.160 69.663 1.00 0.00 H new ATOM 0 HB3 MET A 19 12.339 -1.695 68.702 1.00 0.00 H new ATOM 0 HG2 MET A 19 10.969 -2.815 66.968 1.00 0.00 H new ATOM 0 HG3 MET A 19 10.964 -4.287 67.918 1.00 0.00 H new ATOM 0 HE1 MET A 19 8.755 -3.450 70.976 1.00 0.00 H new ATOM 0 HE2 MET A 19 9.694 -4.672 70.087 1.00 0.00 H new ATOM 0 HE3 MET A 19 10.531 -3.351 70.936 1.00 0.00 H new ATOM 251 N LYS A 20 13.981 -1.396 66.454 1.00 0.00 N ATOM 252 CA LYS A 20 14.054 -0.664 65.193 1.00 0.00 C ATOM 253 C LYS A 20 14.962 -1.385 64.210 1.00 0.00 C ATOM 254 O LYS A 20 14.659 -1.490 63.023 1.00 0.00 O ATOM 255 CB LYS A 20 14.610 0.743 65.422 1.00 0.00 C ATOM 256 CG LYS A 20 14.663 1.601 64.168 1.00 0.00 C ATOM 257 CD LYS A 20 15.170 3.000 64.477 1.00 0.00 C ATOM 258 CE LYS A 20 15.237 3.853 63.221 1.00 0.00 C ATOM 259 NZ LYS A 20 15.722 5.231 63.510 1.00 0.00 N ATOM 0 H LYS A 20 14.269 -0.853 67.268 1.00 0.00 H new ATOM 0 HA LYS A 20 13.045 -0.602 64.786 1.00 0.00 H new ATOM 0 HB2 LYS A 20 13.997 1.247 66.169 1.00 0.00 H new ATOM 0 HB3 LYS A 20 15.615 0.662 65.837 1.00 0.00 H new ATOM 0 HG2 LYS A 20 15.313 1.131 63.430 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.669 1.662 63.724 1.00 0.00 H new ATOM 0 HD2 LYS A 20 14.513 3.474 65.207 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.159 2.939 64.931 1.00 0.00 H new ATOM 0 HE2 LYS A 20 15.899 3.380 62.496 1.00 0.00 H new ATOM 0 HE3 LYS A 20 14.249 3.904 62.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 15.753 5.780 62.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 15.076 5.692 64.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 16.676 5.184 63.922 1.00 0.00 H new ATOM 273 N ALA A 21 16.084 -1.883 64.723 1.00 0.00 N ATOM 274 CA ALA A 21 17.061 -2.603 63.911 1.00 0.00 C ATOM 275 C ALA A 21 16.494 -3.936 63.453 1.00 0.00 C ATOM 276 O ALA A 21 16.674 -4.344 62.307 1.00 0.00 O ATOM 277 CB ALA A 21 18.326 -2.868 64.714 1.00 0.00 C ATOM 0 H ALA A 21 16.341 -1.800 65.707 1.00 0.00 H new ATOM 0 HA ALA A 21 17.295 -1.984 63.044 1.00 0.00 H new ATOM 0 HB1 ALA A 21 19.044 -3.405 64.095 1.00 0.00 H new ATOM 0 HB2 ALA A 21 18.760 -1.920 65.033 1.00 0.00 H new ATOM 0 HB3 ALA A 21 18.082 -3.469 65.590 1.00 0.00 H new ATOM 283 N ILE A 22 15.802 -4.611 64.368 1.00 0.00 N ATOM 284 CA ILE A 22 15.194 -5.908 64.085 1.00 0.00 C ATOM 285 C ILE A 22 14.115 -5.769 63.023 1.00 0.00 C ATOM 286 O ILE A 22 14.084 -6.517 62.047 1.00 0.00 O ATOM 287 CB ILE A 22 14.545 -6.514 65.343 1.00 0.00 C ATOM 288 CG1 ILE A 22 15.617 -6.881 66.372 1.00 0.00 C ATOM 289 CG2 ILE A 22 13.767 -7.771 64.988 1.00 0.00 C ATOM 290 CD1 ILE A 22 15.059 -7.251 67.729 1.00 0.00 C ATOM 0 H ILE A 22 15.648 -4.277 65.319 1.00 0.00 H new ATOM 0 HA ILE A 22 15.993 -6.563 63.736 1.00 0.00 H new ATOM 0 HB ILE A 22 13.869 -5.768 65.762 1.00 0.00 H new ATOM 0 HG12 ILE A 22 16.203 -7.717 65.990 1.00 0.00 H new ATOM 0 HG13 ILE A 22 16.300 -6.039 66.487 1.00 0.00 H new ATOM 0 HG21 ILE A 22 13.315 -8.186 65.889 1.00 0.00 H new ATOM 0 HG22 ILE A 22 12.985 -7.524 64.270 1.00 0.00 H new ATOM 0 HG23 ILE A 22 14.443 -8.506 64.550 1.00 0.00 H new ATOM 0 HD11 ILE A 22 15.878 -7.499 68.404 1.00 0.00 H new ATOM 0 HD12 ILE A 22 14.497 -6.409 68.133 1.00 0.00 H new ATOM 0 HD13 ILE A 22 14.399 -8.113 67.628 1.00 0.00 H new ATOM 302 N GLY A 23 13.229 -4.800 63.227 1.00 0.00 N ATOM 303 CA GLY A 23 12.132 -4.536 62.299 1.00 0.00 C ATOM 304 C GLY A 23 12.670 -4.035 60.968 1.00 0.00 C ATOM 305 O GLY A 23 12.231 -4.464 59.902 1.00 0.00 O ATOM 0 H GLY A 23 13.249 -4.178 64.035 1.00 0.00 H new ATOM 0 HA2 GLY A 23 11.552 -5.446 62.144 1.00 0.00 H new ATOM 0 HA3 GLY A 23 11.456 -3.796 62.727 1.00 0.00 H new ATOM 309 N GLY A 24 13.630 -3.118 61.045 1.00 0.00 N ATOM 310 CA GLY A 24 14.249 -2.536 59.858 1.00 0.00 C ATOM 311 C GLY A 24 15.069 -3.581 59.119 1.00 0.00 C ATOM 312 O GLY A 24 14.880 -3.811 57.926 1.00 0.00 O ATOM 0 H GLY A 24 13.999 -2.759 61.926 1.00 0.00 H new ATOM 0 HA2 GLY A 24 13.479 -2.136 59.198 1.00 0.00 H new ATOM 0 HA3 GLY A 24 14.888 -1.701 60.146 1.00 0.00 H new ATOM 316 N TYR A 25 15.986 -4.212 59.847 1.00 0.00 N ATOM 317 CA TYR A 25 16.855 -5.242 59.285 1.00 0.00 C ATOM 318 C TYR A 25 16.028 -6.351 58.656 1.00 0.00 C ATOM 319 O TYR A 25 16.368 -6.876 57.597 1.00 0.00 O ATOM 320 CB TYR A 25 17.735 -5.855 60.376 1.00 0.00 C ATOM 321 CG TYR A 25 18.658 -6.944 59.879 1.00 0.00 C ATOM 322 CD1 TYR A 25 19.826 -6.630 59.195 1.00 0.00 C ATOM 323 CD2 TYR A 25 18.359 -8.283 60.096 1.00 0.00 C ATOM 324 CE1 TYR A 25 20.675 -7.619 58.737 1.00 0.00 C ATOM 325 CE2 TYR A 25 19.197 -9.285 59.645 1.00 0.00 C ATOM 326 CZ TYR A 25 20.363 -8.942 58.961 1.00 0.00 C ATOM 327 OH TYR A 25 21.207 -9.929 58.506 1.00 0.00 O ATOM 0 H TYR A 25 16.147 -4.026 60.837 1.00 0.00 H new ATOM 0 HA TYR A 25 17.480 -4.771 58.527 1.00 0.00 H new ATOM 0 HB2 TYR A 25 18.333 -5.066 60.833 1.00 0.00 H new ATOM 0 HB3 TYR A 25 17.095 -6.264 61.158 1.00 0.00 H new ATOM 0 HD1 TYR A 25 20.075 -5.594 59.018 1.00 0.00 H new ATOM 0 HD2 TYR A 25 17.456 -8.546 60.627 1.00 0.00 H new ATOM 0 HE1 TYR A 25 21.578 -7.356 58.206 1.00 0.00 H new ATOM 0 HE2 TYR A 25 18.952 -10.322 59.820 1.00 0.00 H new ATOM 0 HH TYR A 25 20.843 -10.807 58.746 1.00 0.00 H new ATOM 337 N ILE A 26 14.932 -6.701 59.324 1.00 0.00 N ATOM 338 CA ILE A 26 14.031 -7.749 58.852 1.00 0.00 C ATOM 339 C ILE A 26 13.200 -7.248 57.682 1.00 0.00 C ATOM 340 O ILE A 26 13.039 -7.937 56.676 1.00 0.00 O ATOM 341 CB ILE A 26 13.063 -8.203 59.961 1.00 0.00 C ATOM 342 CG1 ILE A 26 13.830 -8.905 61.083 1.00 0.00 C ATOM 343 CG2 ILE A 26 12.031 -9.171 59.403 1.00 0.00 C ATOM 344 CD1 ILE A 26 12.999 -9.164 62.321 1.00 0.00 C ATOM 0 H ILE A 26 14.644 -6.269 60.202 1.00 0.00 H new ATOM 0 HA ILE A 26 14.654 -8.589 58.547 1.00 0.00 H new ATOM 0 HB ILE A 26 12.563 -7.317 60.352 1.00 0.00 H new ATOM 0 HG12 ILE A 26 14.214 -9.854 60.709 1.00 0.00 H new ATOM 0 HG13 ILE A 26 14.693 -8.297 61.356 1.00 0.00 H new ATOM 0 HG21 ILE A 26 11.355 -9.482 60.200 1.00 0.00 H new ATOM 0 HG22 ILE A 26 11.461 -8.680 58.614 1.00 0.00 H new ATOM 0 HG23 ILE A 26 12.536 -10.046 58.994 1.00 0.00 H new ATOM 0 HD11 ILE A 26 13.611 -9.664 63.072 1.00 0.00 H new ATOM 0 HD12 ILE A 26 12.636 -8.217 62.720 1.00 0.00 H new ATOM 0 HD13 ILE A 26 12.150 -9.798 62.064 1.00 0.00 H new ATOM 356 N VAL A 27 12.674 -6.036 57.828 1.00 0.00 N ATOM 357 CA VAL A 27 11.850 -5.413 56.795 1.00 0.00 C ATOM 358 C VAL A 27 12.717 -4.928 55.644 1.00 0.00 C ATOM 359 O VAL A 27 12.287 -4.899 54.492 1.00 0.00 O ATOM 360 CB VAL A 27 11.074 -4.203 57.346 1.00 0.00 C ATOM 361 CG1 VAL A 27 12.014 -3.031 57.587 1.00 0.00 C ATOM 362 CG2 VAL A 27 10.002 -3.764 56.360 1.00 0.00 C ATOM 0 H VAL A 27 12.805 -5.460 58.660 1.00 0.00 H new ATOM 0 HA VAL A 27 11.146 -6.171 56.451 1.00 0.00 H new ATOM 0 HB VAL A 27 10.612 -4.505 58.286 1.00 0.00 H new ATOM 0 HG11 VAL A 27 11.448 -2.185 57.976 1.00 0.00 H new ATOM 0 HG12 VAL A 27 12.778 -3.320 58.309 1.00 0.00 H new ATOM 0 HG13 VAL A 27 12.490 -2.748 56.648 1.00 0.00 H new ATOM 0 HG21 VAL A 27 9.463 -2.908 56.766 1.00 0.00 H new ATOM 0 HG22 VAL A 27 10.469 -3.485 55.415 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.305 -4.585 56.191 1.00 0.00 H new ATOM 372 N GLY A 28 13.948 -4.547 55.972 1.00 0.00 N ATOM 373 CA GLY A 28 14.902 -4.055 54.983 1.00 0.00 C ATOM 374 C GLY A 28 15.450 -5.207 54.155 1.00 0.00 C ATOM 375 O GLY A 28 15.907 -5.019 53.029 1.00 0.00 O ATOM 0 H GLY A 28 14.311 -4.570 56.925 1.00 0.00 H new ATOM 0 HA2 GLY A 28 14.417 -3.329 54.331 1.00 0.00 H new ATOM 0 HA3 GLY A 28 15.720 -3.537 55.484 1.00 0.00 H new ATOM 379 N ALA A 29 15.398 -6.405 54.731 1.00 0.00 N ATOM 380 CA ALA A 29 15.884 -7.611 54.069 1.00 0.00 C ATOM 381 C ALA A 29 14.809 -8.192 53.164 1.00 0.00 C ATOM 382 O ALA A 29 15.100 -8.768 52.117 1.00 0.00 O ATOM 383 CB ALA A 29 16.268 -8.663 55.098 1.00 0.00 C ATOM 0 H ALA A 29 15.020 -6.566 55.665 1.00 0.00 H new ATOM 0 HA ALA A 29 16.757 -7.337 53.476 1.00 0.00 H new ATOM 0 HB1 ALA A 29 16.628 -9.556 54.588 1.00 0.00 H new ATOM 0 HB2 ALA A 29 17.055 -8.271 55.743 1.00 0.00 H new ATOM 0 HB3 ALA A 29 15.397 -8.917 55.702 1.00 0.00 H new ATOM 389 N LEU A 30 13.557 -8.033 53.585 1.00 0.00 N ATOM 390 CA LEU A 30 12.411 -8.533 52.830 1.00 0.00 C ATOM 391 C LEU A 30 12.429 -7.986 51.412 1.00 0.00 C ATOM 392 O LEU A 30 11.966 -8.635 50.475 1.00 0.00 O ATOM 393 CB LEU A 30 11.102 -8.105 53.497 1.00 0.00 C ATOM 394 CG LEU A 30 10.769 -8.778 54.830 1.00 0.00 C ATOM 395 CD1 LEU A 30 9.515 -8.171 55.440 1.00 0.00 C ATOM 396 CD2 LEU A 30 10.531 -10.268 54.636 1.00 0.00 C ATOM 0 H LEU A 30 13.309 -7.558 54.453 1.00 0.00 H new ATOM 0 HA LEU A 30 12.476 -9.621 52.808 1.00 0.00 H new ATOM 0 HB2 LEU A 30 11.136 -7.027 53.657 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.285 -8.299 52.802 1.00 0.00 H new ATOM 0 HG LEU A 30 11.618 -8.622 55.495 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.296 -8.664 56.387 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.673 -7.106 55.613 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.676 -8.307 54.758 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.296 -10.727 55.596 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.698 -10.417 53.949 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.428 -10.729 54.224 1.00 0.00 H new ATOM 408 N VAL A 31 12.970 -6.781 51.267 1.00 0.00 N ATOM 409 CA VAL A 31 13.063 -6.117 49.969 1.00 0.00 C ATOM 410 C VAL A 31 13.779 -7.007 48.967 1.00 0.00 C ATOM 411 O VAL A 31 13.454 -7.019 47.781 1.00 0.00 O ATOM 412 CB VAL A 31 13.842 -4.792 50.067 1.00 0.00 C ATOM 413 CG1 VAL A 31 14.124 -4.236 48.680 1.00 0.00 C ATOM 414 CG2 VAL A 31 13.041 -3.760 50.846 1.00 0.00 C ATOM 0 H VAL A 31 13.355 -6.239 52.040 1.00 0.00 H new ATOM 0 HA VAL A 31 12.043 -5.916 49.642 1.00 0.00 H new ATOM 0 HB VAL A 31 14.781 -4.996 50.581 1.00 0.00 H new ATOM 0 HG11 VAL A 31 14.675 -3.300 48.768 1.00 0.00 H new ATOM 0 HG12 VAL A 31 14.717 -4.954 48.114 1.00 0.00 H new ATOM 0 HG13 VAL A 31 13.182 -4.055 48.162 1.00 0.00 H new ATOM 0 HG21 VAL A 31 13.606 -2.830 50.906 1.00 0.00 H new ATOM 0 HG22 VAL A 31 12.093 -3.577 50.339 1.00 0.00 H new ATOM 0 HG23 VAL A 31 12.848 -4.133 51.852 1.00 0.00 H new ATOM 424 N ILE A 32 14.762 -7.754 49.461 1.00 0.00 N ATOM 425 CA ILE A 32 15.547 -8.662 48.628 1.00 0.00 C ATOM 426 C ILE A 32 14.671 -9.782 48.090 1.00 0.00 C ATOM 427 O ILE A 32 14.765 -10.159 46.923 1.00 0.00 O ATOM 428 CB ILE A 32 16.700 -9.303 49.423 1.00 0.00 C ATOM 429 CG1 ILE A 32 17.730 -8.242 49.817 1.00 0.00 C ATOM 430 CG2 ILE A 32 17.397 -10.365 48.587 1.00 0.00 C ATOM 431 CD1 ILE A 32 18.765 -8.734 50.805 1.00 0.00 C ATOM 0 H ILE A 32 15.036 -7.748 50.443 1.00 0.00 H new ATOM 0 HA ILE A 32 15.955 -8.068 47.810 1.00 0.00 H new ATOM 0 HB ILE A 32 16.276 -9.758 50.318 1.00 0.00 H new ATOM 0 HG12 ILE A 32 18.237 -7.890 48.919 1.00 0.00 H new ATOM 0 HG13 ILE A 32 17.210 -7.385 50.246 1.00 0.00 H new ATOM 0 HG21 ILE A 32 18.209 -10.807 49.164 1.00 0.00 H new ATOM 0 HG22 ILE A 32 16.681 -11.141 48.314 1.00 0.00 H new ATOM 0 HG23 ILE A 32 17.801 -9.909 47.683 1.00 0.00 H new ATOM 0 HD11 ILE A 32 19.460 -7.927 51.036 1.00 0.00 H new ATOM 0 HD12 ILE A 32 18.269 -9.059 51.720 1.00 0.00 H new ATOM 0 HD13 ILE A 32 19.312 -9.571 50.372 1.00 0.00 H new ATOM 443 N LEU A 33 13.814 -10.309 48.960 1.00 0.00 N ATOM 444 CA LEU A 33 12.905 -11.393 48.599 1.00 0.00 C ATOM 445 C LEU A 33 11.947 -10.942 47.508 1.00 0.00 C ATOM 446 O LEU A 33 11.752 -11.632 46.508 1.00 0.00 O ATOM 447 CB LEU A 33 12.084 -11.831 49.814 1.00 0.00 C ATOM 448 CG LEU A 33 12.838 -12.599 50.901 1.00 0.00 C ATOM 449 CD1 LEU A 33 11.938 -12.858 52.099 1.00 0.00 C ATOM 450 CD2 LEU A 33 13.325 -13.940 50.372 1.00 0.00 C ATOM 0 H LEU A 33 13.730 -10.000 49.928 1.00 0.00 H new ATOM 0 HA LEU A 33 13.508 -12.227 48.240 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.642 -10.943 50.266 1.00 0.00 H new ATOM 0 HB3 LEU A 33 11.261 -12.454 49.464 1.00 0.00 H new ATOM 0 HG LEU A 33 13.689 -11.988 51.202 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.494 -13.405 52.860 1.00 0.00 H new ATOM 0 HD12 LEU A 33 11.598 -11.908 52.511 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.076 -13.447 51.786 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.859 -14.470 51.161 1.00 0.00 H new ATOM 0 HD22 LEU A 33 12.471 -14.535 50.048 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.995 -13.777 49.528 1.00 0.00 H new ATOM 462 N ALA A 34 11.351 -9.772 47.714 1.00 0.00 N ATOM 463 CA ALA A 34 10.404 -9.200 46.760 1.00 0.00 C ATOM 464 C ALA A 34 11.065 -9.006 45.405 1.00 0.00 C ATOM 465 O ALA A 34 10.467 -9.269 44.362 1.00 0.00 O ATOM 466 CB ALA A 34 9.907 -7.849 47.252 1.00 0.00 C ATOM 0 H ALA A 34 11.508 -9.196 48.541 1.00 0.00 H new ATOM 0 HA ALA A 34 9.566 -9.891 46.666 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.202 -7.436 46.530 1.00 0.00 H new ATOM 0 HB2 ALA A 34 9.410 -7.972 48.214 1.00 0.00 H new ATOM 0 HB3 ALA A 34 10.752 -7.169 47.364 1.00 0.00 H new ATOM 472 N VAL A 35 12.310 -8.541 45.434 1.00 0.00 N ATOM 473 CA VAL A 35 13.082 -8.301 44.218 1.00 0.00 C ATOM 474 C VAL A 35 13.157 -9.564 43.377 1.00 0.00 C ATOM 475 O VAL A 35 12.998 -9.527 42.158 1.00 0.00 O ATOM 476 CB VAL A 35 14.522 -7.862 44.541 1.00 0.00 C ATOM 477 CG1 VAL A 35 15.363 -7.820 43.275 1.00 0.00 C ATOM 478 CG2 VAL A 35 14.528 -6.476 45.168 1.00 0.00 C ATOM 0 H VAL A 35 12.810 -8.321 46.295 1.00 0.00 H new ATOM 0 HA VAL A 35 12.573 -7.507 43.672 1.00 0.00 H new ATOM 0 HB VAL A 35 14.941 -8.586 45.239 1.00 0.00 H new ATOM 0 HG11 VAL A 35 16.378 -7.508 43.522 1.00 0.00 H new ATOM 0 HG12 VAL A 35 15.389 -8.811 42.822 1.00 0.00 H new ATOM 0 HG13 VAL A 35 14.927 -7.111 42.572 1.00 0.00 H new ATOM 0 HG21 VAL A 35 15.554 -6.181 45.390 1.00 0.00 H new ATOM 0 HG22 VAL A 35 14.087 -5.761 44.474 1.00 0.00 H new ATOM 0 HG23 VAL A 35 13.947 -6.491 46.090 1.00 0.00 H new ATOM 488 N ALA A 36 13.403 -10.686 44.047 1.00 0.00 N ATOM 489 CA ALA A 36 13.506 -11.983 43.385 1.00 0.00 C ATOM 490 C ALA A 36 12.172 -12.375 42.771 1.00 0.00 C ATOM 491 O ALA A 36 12.105 -12.813 41.623 1.00 0.00 O ATOM 492 CB ALA A 36 13.911 -13.057 44.383 1.00 0.00 C ATOM 0 H ALA A 36 13.536 -10.723 45.058 1.00 0.00 H new ATOM 0 HA ALA A 36 14.261 -11.899 42.604 1.00 0.00 H new ATOM 0 HB1 ALA A 36 13.983 -14.018 43.874 1.00 0.00 H new ATOM 0 HB2 ALA A 36 14.878 -12.803 44.818 1.00 0.00 H new ATOM 0 HB3 ALA A 36 13.163 -13.120 45.173 1.00 0.00 H new ATOM 498 N GLY A 37 11.109 -12.211 43.553 1.00 0.00 N ATOM 499 CA GLY A 37 9.757 -12.541 43.112 1.00 0.00 C ATOM 500 C GLY A 37 9.475 -11.920 41.753 1.00 0.00 C ATOM 501 O GLY A 37 9.191 -12.619 40.781 1.00 0.00 O ATOM 0 H GLY A 37 11.159 -11.848 44.505 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.640 -13.623 43.055 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.032 -12.180 43.841 1.00 0.00 H new ATOM 505 N LEU A 38 9.559 -10.594 41.699 1.00 0.00 N ATOM 506 CA LEU A 38 9.317 -9.846 40.468 1.00 0.00 C ATOM 507 C LEU A 38 10.301 -10.266 39.389 1.00 0.00 C ATOM 508 O LEU A 38 9.947 -10.388 38.218 1.00 0.00 O ATOM 509 CB LEU A 38 9.479 -8.344 40.713 1.00 0.00 C ATOM 510 CG LEU A 38 8.391 -7.673 41.554 1.00 0.00 C ATOM 511 CD1 LEU A 38 8.742 -6.218 41.824 1.00 0.00 C ATOM 512 CD2 LEU A 38 7.053 -7.714 40.833 1.00 0.00 C ATOM 0 H LEU A 38 9.795 -10.010 42.501 1.00 0.00 H new ATOM 0 HA LEU A 38 8.299 -10.060 40.144 1.00 0.00 H new ATOM 0 HB2 LEU A 38 10.439 -8.179 41.201 1.00 0.00 H new ATOM 0 HB3 LEU A 38 9.522 -7.842 39.746 1.00 0.00 H new ATOM 0 HG LEU A 38 8.322 -8.219 42.495 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.956 -5.759 42.423 1.00 0.00 H new ATOM 0 HD12 LEU A 38 9.687 -6.166 42.364 1.00 0.00 H new ATOM 0 HD13 LEU A 38 8.835 -5.685 40.878 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.293 -7.232 41.448 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.136 -7.189 39.881 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.769 -8.751 40.652 1.00 0.00 H new ATOM 524 N ILE A 39 11.546 -10.486 39.800 1.00 0.00 N ATOM 525 CA ILE A 39 12.609 -10.895 38.887 1.00 0.00 C ATOM 526 C ILE A 39 12.243 -12.196 38.192 1.00 0.00 C ATOM 527 O ILE A 39 12.423 -12.344 36.984 1.00 0.00 O ATOM 528 CB ILE A 39 13.939 -11.114 39.631 1.00 0.00 C ATOM 529 CG1 ILE A 39 14.475 -9.785 40.168 1.00 0.00 C ATOM 530 CG2 ILE A 39 14.980 -11.712 38.698 1.00 0.00 C ATOM 531 CD1 ILE A 39 14.758 -8.762 39.090 1.00 0.00 C ATOM 0 H ILE A 39 11.846 -10.387 40.770 1.00 0.00 H new ATOM 0 HA ILE A 39 12.727 -10.092 38.159 1.00 0.00 H new ATOM 0 HB ILE A 39 13.749 -11.798 40.458 1.00 0.00 H new ATOM 0 HG12 ILE A 39 13.752 -9.369 40.870 1.00 0.00 H new ATOM 0 HG13 ILE A 39 15.391 -9.973 40.728 1.00 0.00 H new ATOM 0 HG21 ILE A 39 15.913 -11.860 39.241 1.00 0.00 H new ATOM 0 HG22 ILE A 39 14.623 -12.671 38.322 1.00 0.00 H new ATOM 0 HG23 ILE A 39 15.151 -11.035 37.861 1.00 0.00 H new ATOM 0 HD11 ILE A 39 15.135 -7.847 39.547 1.00 0.00 H new ATOM 0 HD12 ILE A 39 15.504 -9.157 38.400 1.00 0.00 H new ATOM 0 HD13 ILE A 39 13.840 -8.544 38.545 1.00 0.00 H new ATOM 543 N TYR A 40 11.724 -13.138 38.974 1.00 0.00 N ATOM 544 CA TYR A 40 11.321 -14.444 38.459 1.00 0.00 C ATOM 545 C TYR A 40 10.105 -14.309 37.558 1.00 0.00 C ATOM 546 O TYR A 40 10.020 -14.940 36.506 1.00 0.00 O ATOM 547 CB TYR A 40 10.967 -15.388 39.610 1.00 0.00 C ATOM 548 CG TYR A 40 10.563 -16.775 39.163 1.00 0.00 C ATOM 549 CD1 TYR A 40 11.520 -17.703 38.772 1.00 0.00 C ATOM 550 CD2 TYR A 40 9.227 -17.151 39.133 1.00 0.00 C ATOM 551 CE1 TYR A 40 11.160 -18.973 38.362 1.00 0.00 C ATOM 552 CE2 TYR A 40 8.848 -18.416 38.726 1.00 0.00 C ATOM 553 CZ TYR A 40 9.829 -19.328 38.339 1.00 0.00 C ATOM 554 OH TYR A 40 9.468 -20.592 37.931 1.00 0.00 O ATOM 0 H TYR A 40 11.571 -13.020 39.976 1.00 0.00 H new ATOM 0 HA TYR A 40 12.159 -14.850 37.892 1.00 0.00 H new ATOM 0 HB2 TYR A 40 11.824 -15.468 40.278 1.00 0.00 H new ATOM 0 HB3 TYR A 40 10.152 -14.951 40.188 1.00 0.00 H new ATOM 0 HD1 TYR A 40 12.564 -17.427 38.789 1.00 0.00 H new ATOM 0 HD2 TYR A 40 8.470 -16.442 39.433 1.00 0.00 H new ATOM 0 HE1 TYR A 40 11.917 -19.682 38.062 1.00 0.00 H new ATOM 0 HE2 TYR A 40 7.805 -18.695 38.708 1.00 0.00 H new ATOM 0 HH TYR A 40 8.493 -20.683 37.973 1.00 0.00 H new ATOM 564 N SER A 41 9.162 -13.474 37.986 1.00 0.00 N ATOM 565 CA SER A 41 7.934 -13.233 37.235 1.00 0.00 C ATOM 566 C SER A 41 8.252 -12.676 35.857 1.00 0.00 C ATOM 567 O SER A 41 7.758 -13.166 34.843 1.00 0.00 O ATOM 568 CB SER A 41 7.046 -12.227 37.969 1.00 0.00 C ATOM 569 OG SER A 41 6.581 -12.758 39.198 1.00 0.00 O ATOM 0 H SER A 41 9.227 -12.948 38.858 1.00 0.00 H new ATOM 0 HA SER A 41 7.413 -14.185 37.138 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.606 -11.310 38.154 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.197 -11.960 37.340 1.00 0.00 H new ATOM 0 HG SER A 41 7.323 -12.801 39.837 1.00 0.00 H new ATOM 575 N MET A 42 9.088 -11.641 35.835 1.00 0.00 N ATOM 576 CA MET A 42 9.493 -10.993 34.591 1.00 0.00 C ATOM 577 C MET A 42 10.278 -11.958 33.718 1.00 0.00 C ATOM 578 O MET A 42 10.097 -12.007 32.502 1.00 0.00 O ATOM 579 CB MET A 42 10.376 -9.778 34.883 1.00 0.00 C ATOM 580 CG MET A 42 10.777 -8.991 33.646 1.00 0.00 C ATOM 581 SD MET A 42 11.789 -7.551 34.035 1.00 0.00 S ATOM 582 CE MET A 42 13.320 -8.337 34.532 1.00 0.00 C ATOM 0 H MET A 42 9.501 -11.230 36.672 1.00 0.00 H new ATOM 0 HA MET A 42 8.588 -10.677 34.072 1.00 0.00 H new ATOM 0 HB2 MET A 42 9.848 -9.114 35.567 1.00 0.00 H new ATOM 0 HB3 MET A 42 11.278 -10.112 35.396 1.00 0.00 H new ATOM 0 HG2 MET A 42 11.327 -9.644 32.968 1.00 0.00 H new ATOM 0 HG3 MET A 42 9.879 -8.667 33.119 1.00 0.00 H new ATOM 0 HE1 MET A 42 14.117 -7.594 34.564 1.00 0.00 H new ATOM 0 HE2 MET A 42 13.197 -8.780 35.520 1.00 0.00 H new ATOM 0 HE3 MET A 42 13.579 -9.116 33.815 1.00 0.00 H new ATOM 592 N LEU A 43 11.154 -12.728 34.357 1.00 0.00 N ATOM 593 CA LEU A 43 11.985 -13.707 33.663 1.00 0.00 C ATOM 594 C LEU A 43 11.160 -14.923 33.272 1.00 0.00 C ATOM 595 O LEU A 43 11.315 -15.473 32.183 1.00 0.00 O ATOM 596 CB LEU A 43 13.133 -14.170 34.563 1.00 0.00 C ATOM 597 CG LEU A 43 14.233 -13.144 34.840 1.00 0.00 C ATOM 598 CD1 LEU A 43 15.237 -13.689 35.844 1.00 0.00 C ATOM 599 CD2 LEU A 43 14.980 -12.798 33.561 1.00 0.00 C ATOM 0 H LEU A 43 11.307 -12.692 35.365 1.00 0.00 H new ATOM 0 HA LEU A 43 12.386 -13.229 32.769 1.00 0.00 H new ATOM 0 HB2 LEU A 43 12.713 -14.487 35.517 1.00 0.00 H new ATOM 0 HB3 LEU A 43 13.591 -15.048 34.109 1.00 0.00 H new ATOM 0 HG LEU A 43 13.752 -12.252 35.242 1.00 0.00 H new ATOM 0 HD11 LEU A 43 16.011 -12.943 36.026 1.00 0.00 H new ATOM 0 HD12 LEU A 43 14.727 -13.920 36.780 1.00 0.00 H new ATOM 0 HD13 LEU A 43 15.694 -14.595 35.447 1.00 0.00 H new ATOM 0 HD21 LEU A 43 15.758 -12.067 33.780 1.00 0.00 H new ATOM 0 HD22 LEU A 43 15.435 -13.699 33.150 1.00 0.00 H new ATOM 0 HD23 LEU A 43 14.283 -12.380 32.835 1.00 0.00 H new ATOM 611 N ARG A 44 10.279 -15.336 34.178 1.00 0.00 N ATOM 612 CA ARG A 44 9.412 -16.489 33.955 1.00 0.00 C ATOM 613 C ARG A 44 8.197 -16.090 33.134 1.00 0.00 C ATOM 614 O ARG A 44 7.682 -16.873 32.338 1.00 0.00 O ATOM 615 CB ARG A 44 8.928 -17.061 35.289 1.00 0.00 C ATOM 616 CG ARG A 44 8.091 -18.323 35.156 1.00 0.00 C ATOM 617 CD ARG A 44 8.920 -19.483 34.631 1.00 0.00 C ATOM 618 NE ARG A 44 8.134 -20.709 34.512 1.00 0.00 N ATOM 619 CZ ARG A 44 8.567 -21.821 33.927 1.00 0.00 C ATOM 620 NH1 ARG A 44 9.785 -21.864 33.404 1.00 0.00 N ATOM 621 NH2 ARG A 44 7.781 -22.887 33.866 1.00 0.00 N ATOM 0 H ARG A 44 10.146 -14.884 35.083 1.00 0.00 H new ATOM 0 HA ARG A 44 9.990 -17.241 33.418 1.00 0.00 H new ATOM 0 HB2 ARG A 44 9.794 -17.276 35.915 1.00 0.00 H new ATOM 0 HB3 ARG A 44 8.341 -16.302 35.806 1.00 0.00 H new ATOM 0 HG2 ARG A 44 7.668 -18.585 36.126 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.254 -18.137 34.483 1.00 0.00 H new ATOM 0 HD2 ARG A 44 9.333 -19.221 33.657 1.00 0.00 H new ATOM 0 HD3 ARG A 44 9.764 -19.657 35.299 1.00 0.00 H new ATOM 0 HE ARG A 44 7.192 -20.712 34.903 1.00 0.00 H new ATOM 0 HH11 ARG A 44 10.389 -21.044 33.451 1.00 0.00 H new ATOM 0 HH12 ARG A 44 10.117 -22.717 32.955 1.00 0.00 H new ATOM 0 HH21 ARG A 44 6.844 -22.854 34.268 1.00 0.00 H new ATOM 0 HH22 ARG A 44 8.113 -23.741 33.417 1.00 0.00 H new ATOM 635 N LYS A 45 7.744 -14.856 33.340 1.00 0.00 N ATOM 636 CA LYS A 45 6.586 -14.322 32.630 1.00 0.00 C ATOM 637 C LYS A 45 6.943 -14.012 31.186 1.00 0.00 C ATOM 638 O LYS A 45 6.211 -14.361 30.261 1.00 0.00 O ATOM 639 CB LYS A 45 6.098 -13.033 33.294 1.00 0.00 C ATOM 640 CG LYS A 45 4.858 -12.434 32.650 1.00 0.00 C ATOM 641 CD LYS A 45 4.396 -11.191 33.392 1.00 0.00 C ATOM 642 CE LYS A 45 3.166 -10.583 32.740 1.00 0.00 C ATOM 643 NZ LYS A 45 2.694 -9.370 33.464 1.00 0.00 N ATOM 0 H LYS A 45 8.166 -14.202 33.999 1.00 0.00 H new ATOM 0 HA LYS A 45 5.800 -15.076 32.663 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.887 -13.235 34.344 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.901 -12.296 33.266 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.071 -12.182 31.611 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.057 -13.173 32.641 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.173 -11.446 34.428 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.201 -10.456 33.411 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.395 -10.323 31.707 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.366 -11.323 32.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.853 -8.986 32.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.451 -9.623 34.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.447 -8.653 33.468 1.00 0.00 H new ATOM 657 N ALA A 46 8.082 -13.349 31.005 1.00 0.00 N ATOM 658 CA ALA A 46 8.565 -12.975 29.679 1.00 0.00 C ATOM 659 C ALA A 46 9.887 -12.232 29.803 1.00 0.00 C ATOM 660 O ALA A 46 10.388 -12.030 30.906 1.00 0.00 O ATOM 661 CB ALA A 46 7.520 -12.106 28.984 1.00 0.00 C ATOM 0 H ALA A 46 8.693 -13.057 31.768 1.00 0.00 H new ATOM 0 HA ALA A 46 8.729 -13.872 29.081 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.880 -11.826 27.994 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.589 -12.664 28.887 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.344 -11.206 29.574 1.00 0.00 H new