USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 470 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 1 MET CE :methyl 176:sc= -0.604 (180deg=0) USER MOD Set 1.2: A 5 GLN : amide:sc= -2.56! C(o=-3.2!,f=-3.7!) USER MOD Single : A 1 MET N :NH3+ 169:sc= -0.0124 (180deg=-0.183) USER MOD Single : A 3 LYS NZ :NH3+ -142:sc= -0.182 (180deg=-1.61!) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 116:sc= 1.18 USER MOD Single : A 10 SER OG : rot -10:sc= -1.22 USER MOD Single : A 16 SER OG : rot -35:sc= 0.35 USER MOD Single : A 17 THR OG1 : rot -100:sc= -2.82! USER MOD Single : A 20 MET CE :methyl 150:sc= -0.365 (180deg=-2.03!) USER MOD Single : A 22 GLN : amide:sc= -0.771 K(o=-0.77,f=-2.7) USER MOD Single : A 23 GLN : amide:sc= -5.13! C(o=-5.1!,f=-8.6!) USER MOD Single : A 26 GLN : amide:sc= -0.248 X(o=-0.25,f=-0.12) USER MOD Single : A 27 ASN : amide:sc= -1.37 K(o=-1.4,f=-0.21) USER MOD Single : A 29 GLN : amide:sc= -1.37 K(o=-1.4,f=-4.3!) USER MOD Single : A 30 ASN : amide:sc= -1.17 K(o=-1.2,f=-0.11) USER MOD Single : A 34 ASN : amide:sc= -2.45 K(o=-2.5,f=-0.74) USER MOD Single : A 36 CYS SG : rot -28:sc= 0.509 USER MOD Single : A 46 CYS SG : rot -22:sc= 0.0826 USER MOD Single : A 50 MET CE :methyl -152:sc= -0.528 (180deg=-2.19!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 21.466 2.623 14.066 1.00 0.00 N ATOM 2 CA MET A 1 20.446 2.436 12.997 1.00 0.00 C ATOM 3 C MET A 1 19.064 2.849 13.521 1.00 0.00 C ATOM 4 O MET A 1 18.048 2.310 13.135 1.00 0.00 O ATOM 5 CB MET A 1 20.493 0.945 12.677 1.00 0.00 C ATOM 6 CG MET A 1 19.632 0.626 11.459 1.00 0.00 C ATOM 7 SD MET A 1 20.233 1.556 10.027 1.00 0.00 S ATOM 8 CE MET A 1 19.024 0.936 8.832 1.00 0.00 C ATOM 0 H1 MET A 1 22.358 2.173 13.777 1.00 0.00 H new ATOM 0 H2 MET A 1 21.625 3.639 14.220 1.00 0.00 H new ATOM 0 H3 MET A 1 21.128 2.187 14.948 1.00 0.00 H new ATOM 0 HA MET A 1 20.639 3.043 12.112 1.00 0.00 H new ATOM 0 HB2 MET A 1 21.523 0.641 12.490 1.00 0.00 H new ATOM 0 HB3 MET A 1 20.143 0.373 13.536 1.00 0.00 H new ATOM 0 HG2 MET A 1 19.663 -0.443 11.250 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.592 0.881 11.660 1.00 0.00 H new ATOM 0 HE1 MET A 1 19.166 1.440 7.876 1.00 0.00 H new ATOM 0 HE2 MET A 1 19.160 -0.137 8.700 1.00 0.00 H new ATOM 0 HE3 MET A 1 18.016 1.131 9.199 1.00 0.00 H new ATOM 20 N ASP A 2 19.023 3.808 14.405 1.00 0.00 N ATOM 21 CA ASP A 2 17.712 4.259 14.957 1.00 0.00 C ATOM 22 C ASP A 2 17.460 5.724 14.591 1.00 0.00 C ATOM 23 O ASP A 2 16.335 6.180 14.547 1.00 0.00 O ATOM 24 CB ASP A 2 17.849 4.102 16.472 1.00 0.00 C ATOM 25 CG ASP A 2 18.977 5.002 16.984 1.00 0.00 C ATOM 26 OD1 ASP A 2 18.875 6.205 16.809 1.00 0.00 O ATOM 27 OD2 ASP A 2 19.924 4.472 17.542 1.00 0.00 O ATOM 0 H ASP A 2 19.839 4.299 14.769 1.00 0.00 H new ATOM 0 HA ASP A 2 16.875 3.684 14.560 1.00 0.00 H new ATOM 0 HB2 ASP A 2 16.911 4.365 16.961 1.00 0.00 H new ATOM 0 HB3 ASP A 2 18.059 3.062 16.722 1.00 0.00 H new ATOM 32 N LYS A 3 18.502 6.463 14.324 1.00 0.00 N ATOM 33 CA LYS A 3 18.325 7.898 13.954 1.00 0.00 C ATOM 34 C LYS A 3 18.543 8.082 12.453 1.00 0.00 C ATOM 35 O LYS A 3 17.865 8.857 11.808 1.00 0.00 O ATOM 36 CB LYS A 3 19.378 8.668 14.753 1.00 0.00 C ATOM 37 CG LYS A 3 20.782 8.241 14.324 1.00 0.00 C ATOM 38 CD LYS A 3 21.810 9.014 15.145 1.00 0.00 C ATOM 39 CE LYS A 3 21.705 10.511 14.838 1.00 0.00 C ATOM 40 NZ LYS A 3 21.950 10.623 13.373 1.00 0.00 N ATOM 0 H LYS A 3 19.468 6.136 14.346 1.00 0.00 H new ATOM 0 HA LYS A 3 17.320 8.255 14.179 1.00 0.00 H new ATOM 0 HB2 LYS A 3 19.252 9.739 14.597 1.00 0.00 H new ATOM 0 HB3 LYS A 3 19.243 8.483 15.819 1.00 0.00 H new ATOM 0 HG2 LYS A 3 20.911 7.169 14.472 1.00 0.00 H new ATOM 0 HG3 LYS A 3 20.926 8.435 13.261 1.00 0.00 H new ATOM 0 HD2 LYS A 3 21.644 8.840 16.208 1.00 0.00 H new ATOM 0 HD3 LYS A 3 22.814 8.657 14.916 1.00 0.00 H new ATOM 0 HE2 LYS A 3 20.722 10.900 15.105 1.00 0.00 H new ATOM 0 HE3 LYS A 3 22.439 11.083 15.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 22.510 11.478 13.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 22.471 9.786 13.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 21.040 10.684 12.873 1.00 0.00 H new ATOM 54 N VAL A 4 19.476 7.368 11.882 1.00 0.00 N ATOM 55 CA VAL A 4 19.723 7.502 10.416 1.00 0.00 C ATOM 56 C VAL A 4 18.406 7.378 9.646 1.00 0.00 C ATOM 57 O VAL A 4 18.265 7.875 8.546 1.00 0.00 O ATOM 58 CB VAL A 4 20.657 6.353 10.060 1.00 0.00 C ATOM 59 CG1 VAL A 4 20.948 6.377 8.558 1.00 0.00 C ATOM 60 CG2 VAL A 4 21.970 6.492 10.834 1.00 0.00 C ATOM 0 H VAL A 4 20.076 6.700 12.365 1.00 0.00 H new ATOM 0 HA VAL A 4 20.154 8.470 10.159 1.00 0.00 H new ATOM 0 HB VAL A 4 20.180 5.409 10.325 1.00 0.00 H new ATOM 0 HG11 VAL A 4 21.617 5.554 8.304 1.00 0.00 H new ATOM 0 HG12 VAL A 4 20.015 6.270 8.005 1.00 0.00 H new ATOM 0 HG13 VAL A 4 21.420 7.323 8.294 1.00 0.00 H new ATOM 0 HG21 VAL A 4 22.634 5.667 10.575 1.00 0.00 H new ATOM 0 HG22 VAL A 4 22.447 7.437 10.574 1.00 0.00 H new ATOM 0 HG23 VAL A 4 21.765 6.471 11.904 1.00 0.00 H new ATOM 70 N GLN A 5 17.441 6.713 10.221 1.00 0.00 N ATOM 71 CA GLN A 5 16.132 6.547 9.535 1.00 0.00 C ATOM 72 C GLN A 5 15.318 7.843 9.620 1.00 0.00 C ATOM 73 O GLN A 5 14.841 8.354 8.628 1.00 0.00 O ATOM 74 CB GLN A 5 15.429 5.426 10.301 1.00 0.00 C ATOM 75 CG GLN A 5 16.311 4.174 10.303 1.00 0.00 C ATOM 76 CD GLN A 5 16.567 3.723 8.865 1.00 0.00 C ATOM 77 OE1 GLN A 5 15.644 3.416 8.138 1.00 0.00 O ATOM 78 NE2 GLN A 5 17.793 3.669 8.421 1.00 0.00 N ATOM 0 H GLN A 5 17.505 6.276 11.141 1.00 0.00 H new ATOM 0 HA GLN A 5 16.247 6.314 8.476 1.00 0.00 H new ATOM 0 HB2 GLN A 5 15.227 5.742 11.324 1.00 0.00 H new ATOM 0 HB3 GLN A 5 14.467 5.205 9.840 1.00 0.00 H new ATOM 0 HG2 GLN A 5 17.257 4.384 10.802 1.00 0.00 H new ATOM 0 HG3 GLN A 5 15.825 3.376 10.864 1.00 0.00 H new ATOM 0 HE21 GLN A 5 18.568 3.927 9.032 1.00 0.00 H new ATOM 0 HE22 GLN A 5 17.976 3.369 7.463 1.00 0.00 H new ATOM 87 N TYR A 6 15.149 8.374 10.801 1.00 0.00 N ATOM 88 CA TYR A 6 14.358 9.630 10.952 1.00 0.00 C ATOM 89 C TYR A 6 15.001 10.775 10.165 1.00 0.00 C ATOM 90 O TYR A 6 14.339 11.476 9.431 1.00 0.00 O ATOM 91 CB TYR A 6 14.375 9.934 12.456 1.00 0.00 C ATOM 92 CG TYR A 6 13.682 8.837 13.256 1.00 0.00 C ATOM 93 CD1 TYR A 6 13.086 7.731 12.620 1.00 0.00 C ATOM 94 CD2 TYR A 6 13.635 8.937 14.653 1.00 0.00 C ATOM 95 CE1 TYR A 6 12.454 6.739 13.381 1.00 0.00 C ATOM 96 CE2 TYR A 6 13.001 7.943 15.410 1.00 0.00 C ATOM 97 CZ TYR A 6 12.413 6.846 14.775 1.00 0.00 C ATOM 98 OH TYR A 6 11.789 5.867 15.523 1.00 0.00 O ATOM 0 H TYR A 6 15.525 7.992 11.669 1.00 0.00 H new ATOM 0 HA TYR A 6 13.344 9.520 10.567 1.00 0.00 H new ATOM 0 HB2 TYR A 6 15.406 10.038 12.796 1.00 0.00 H new ATOM 0 HB3 TYR A 6 13.881 10.888 12.641 1.00 0.00 H new ATOM 0 HD1 TYR A 6 13.116 7.647 11.544 1.00 0.00 H new ATOM 0 HD2 TYR A 6 14.089 9.783 15.148 1.00 0.00 H new ATOM 0 HE1 TYR A 6 11.998 5.891 12.891 1.00 0.00 H new ATOM 0 HE2 TYR A 6 12.967 8.025 16.486 1.00 0.00 H new ATOM 0 HH TYR A 6 11.851 6.093 16.475 1.00 0.00 H new ATOM 108 N LEU A 7 16.285 10.968 10.306 1.00 0.00 N ATOM 109 CA LEU A 7 16.950 12.071 9.552 1.00 0.00 C ATOM 110 C LEU A 7 16.754 11.868 8.050 1.00 0.00 C ATOM 111 O LEU A 7 16.363 12.771 7.337 1.00 0.00 O ATOM 112 CB LEU A 7 18.434 12.003 9.928 1.00 0.00 C ATOM 113 CG LEU A 7 18.664 12.674 11.291 1.00 0.00 C ATOM 114 CD1 LEU A 7 18.266 14.149 11.200 1.00 0.00 C ATOM 115 CD2 LEU A 7 17.827 11.992 12.372 1.00 0.00 C ATOM 0 H LEU A 7 16.898 10.415 10.905 1.00 0.00 H new ATOM 0 HA LEU A 7 16.530 13.046 9.799 1.00 0.00 H new ATOM 0 HB2 LEU A 7 18.760 10.964 9.966 1.00 0.00 H new ATOM 0 HB3 LEU A 7 19.034 12.498 9.164 1.00 0.00 H new ATOM 0 HG LEU A 7 19.718 12.585 11.554 1.00 0.00 H new ATOM 0 HD11 LEU A 7 18.427 14.630 12.165 1.00 0.00 H new ATOM 0 HD12 LEU A 7 18.873 14.644 10.442 1.00 0.00 H new ATOM 0 HD13 LEU A 7 17.213 14.226 10.928 1.00 0.00 H new ATOM 0 HD21 LEU A 7 18.003 12.480 13.330 1.00 0.00 H new ATOM 0 HD22 LEU A 7 16.770 12.066 12.115 1.00 0.00 H new ATOM 0 HD23 LEU A 7 18.110 10.942 12.443 1.00 0.00 H new ATOM 127 N THR A 8 17.012 10.686 7.565 1.00 0.00 N ATOM 128 CA THR A 8 16.829 10.423 6.112 1.00 0.00 C ATOM 129 C THR A 8 15.341 10.479 5.760 1.00 0.00 C ATOM 130 O THR A 8 14.916 11.250 4.922 1.00 0.00 O ATOM 131 CB THR A 8 17.367 9.011 5.895 1.00 0.00 C ATOM 132 OG1 THR A 8 18.731 8.958 6.291 1.00 0.00 O ATOM 133 CG2 THR A 8 17.247 8.638 4.416 1.00 0.00 C ATOM 0 H THR A 8 17.342 9.891 8.112 1.00 0.00 H new ATOM 0 HA THR A 8 17.341 11.156 5.489 1.00 0.00 H new ATOM 0 HB THR A 8 16.788 8.306 6.492 1.00 0.00 H new ATOM 0 HG1 THR A 8 18.826 8.352 7.056 1.00 0.00 H new ATOM 0 HG21 THR A 8 17.632 7.630 4.263 1.00 0.00 H new ATOM 0 HG22 THR A 8 16.200 8.677 4.115 1.00 0.00 H new ATOM 0 HG23 THR A 8 17.824 9.341 3.815 1.00 0.00 H new ATOM 141 N ARG A 9 14.545 9.670 6.406 1.00 0.00 N ATOM 142 CA ARG A 9 13.082 9.676 6.124 1.00 0.00 C ATOM 143 C ARG A 9 12.534 11.097 6.244 1.00 0.00 C ATOM 144 O ARG A 9 11.696 11.516 5.473 1.00 0.00 O ATOM 145 CB ARG A 9 12.476 8.763 7.184 1.00 0.00 C ATOM 146 CG ARG A 9 12.933 7.320 6.954 1.00 0.00 C ATOM 147 CD ARG A 9 12.387 6.811 5.614 1.00 0.00 C ATOM 148 NE ARG A 9 12.894 5.415 5.487 1.00 0.00 N ATOM 149 CZ ARG A 9 14.178 5.189 5.419 1.00 0.00 C ATOM 150 NH1 ARG A 9 14.902 5.201 6.505 1.00 0.00 N ATOM 151 NH2 ARG A 9 14.738 4.952 4.264 1.00 0.00 N ATOM 0 H ARG A 9 14.846 9.004 7.118 1.00 0.00 H new ATOM 0 HA ARG A 9 12.846 9.334 5.116 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.778 9.095 8.177 1.00 0.00 H new ATOM 0 HB3 ARG A 9 11.388 8.819 7.146 1.00 0.00 H new ATOM 0 HG2 ARG A 9 14.022 7.269 6.957 1.00 0.00 H new ATOM 0 HG3 ARG A 9 12.582 6.683 7.766 1.00 0.00 H new ATOM 0 HD2 ARG A 9 11.297 6.837 5.598 1.00 0.00 H new ATOM 0 HD3 ARG A 9 12.733 7.432 4.787 1.00 0.00 H new ATOM 0 HE ARG A 9 12.237 4.635 5.453 1.00 0.00 H new ATOM 0 HH11 ARG A 9 14.465 5.387 7.407 1.00 0.00 H new ATOM 0 HH12 ARG A 9 15.905 5.024 6.451 1.00 0.00 H new ATOM 0 HH21 ARG A 9 14.172 4.943 3.415 1.00 0.00 H new ATOM 0 HH22 ARG A 9 15.741 4.775 4.210 1.00 0.00 H new ATOM 165 N SER A 10 13.011 11.847 7.198 1.00 0.00 N ATOM 166 CA SER A 10 12.524 13.243 7.354 1.00 0.00 C ATOM 167 C SER A 10 13.056 14.103 6.207 1.00 0.00 C ATOM 168 O SER A 10 12.495 15.128 5.874 1.00 0.00 O ATOM 169 CB SER A 10 13.098 13.724 8.685 1.00 0.00 C ATOM 170 OG SER A 10 14.518 13.738 8.605 1.00 0.00 O ATOM 0 H SER A 10 13.716 11.553 7.874 1.00 0.00 H new ATOM 0 HA SER A 10 11.436 13.307 7.337 1.00 0.00 H new ATOM 0 HB2 SER A 10 12.725 14.722 8.916 1.00 0.00 H new ATOM 0 HB3 SER A 10 12.774 13.068 9.493 1.00 0.00 H new ATOM 0 HG SER A 10 14.804 13.289 7.782 1.00 0.00 H new ATOM 176 N ALA A 11 14.141 13.695 5.603 1.00 0.00 N ATOM 177 CA ALA A 11 14.715 14.491 4.487 1.00 0.00 C ATOM 178 C ALA A 11 13.921 14.259 3.198 1.00 0.00 C ATOM 179 O ALA A 11 13.777 15.146 2.380 1.00 0.00 O ATOM 180 CB ALA A 11 16.146 13.979 4.334 1.00 0.00 C ATOM 0 H ALA A 11 14.652 12.844 5.837 1.00 0.00 H new ATOM 0 HA ALA A 11 14.681 15.562 4.687 1.00 0.00 H new ATOM 0 HB1 ALA A 11 16.641 14.518 3.526 1.00 0.00 H new ATOM 0 HB2 ALA A 11 16.691 14.139 5.264 1.00 0.00 H new ATOM 0 HB3 ALA A 11 16.129 12.914 4.102 1.00 0.00 H new ATOM 186 N ILE A 12 13.408 13.075 3.007 1.00 0.00 N ATOM 187 CA ILE A 12 12.632 12.791 1.772 1.00 0.00 C ATOM 188 C ILE A 12 11.134 12.970 2.032 1.00 0.00 C ATOM 189 O ILE A 12 10.360 13.197 1.123 1.00 0.00 O ATOM 190 CB ILE A 12 12.949 11.335 1.426 1.00 0.00 C ATOM 191 CG1 ILE A 12 12.197 10.941 0.152 1.00 0.00 C ATOM 192 CG2 ILE A 12 12.514 10.426 2.576 1.00 0.00 C ATOM 193 CD1 ILE A 12 12.641 11.839 -1.003 1.00 0.00 C ATOM 0 H ILE A 12 13.494 12.292 3.655 1.00 0.00 H new ATOM 0 HA ILE A 12 12.894 13.467 0.958 1.00 0.00 H new ATOM 0 HB ILE A 12 14.022 11.226 1.267 1.00 0.00 H new ATOM 0 HG12 ILE A 12 12.393 9.896 -0.090 1.00 0.00 H new ATOM 0 HG13 ILE A 12 11.122 11.036 0.308 1.00 0.00 H new ATOM 0 HG21 ILE A 12 12.741 9.390 2.326 1.00 0.00 H new ATOM 0 HG22 ILE A 12 13.049 10.706 3.484 1.00 0.00 H new ATOM 0 HG23 ILE A 12 11.442 10.533 2.739 1.00 0.00 H new ATOM 0 HD11 ILE A 12 12.105 11.558 -1.909 1.00 0.00 H new ATOM 0 HD12 ILE A 12 12.422 12.879 -0.760 1.00 0.00 H new ATOM 0 HD13 ILE A 12 13.713 11.722 -1.164 1.00 0.00 H new ATOM 205 N ARG A 13 10.719 12.873 3.265 1.00 0.00 N ATOM 206 CA ARG A 13 9.273 13.040 3.578 1.00 0.00 C ATOM 207 C ARG A 13 8.807 14.435 3.156 1.00 0.00 C ATOM 208 O ARG A 13 7.642 14.659 2.901 1.00 0.00 O ATOM 209 CB ARG A 13 9.173 12.871 5.095 1.00 0.00 C ATOM 210 CG ARG A 13 7.711 12.989 5.532 1.00 0.00 C ATOM 211 CD ARG A 13 6.883 11.890 4.859 1.00 0.00 C ATOM 212 NE ARG A 13 7.531 10.608 5.260 1.00 0.00 N ATOM 213 CZ ARG A 13 7.587 10.262 6.519 1.00 0.00 C ATOM 214 NH1 ARG A 13 6.633 10.612 7.337 1.00 0.00 N ATOM 215 NH2 ARG A 13 8.601 9.567 6.958 1.00 0.00 N ATOM 0 H ARG A 13 11.319 12.685 4.068 1.00 0.00 H new ATOM 0 HA ARG A 13 8.646 12.321 3.051 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.574 11.901 5.390 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.775 13.630 5.596 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.637 12.902 6.616 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.319 13.970 5.263 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.844 11.925 5.186 1.00 0.00 H new ATOM 0 HD3 ARG A 13 6.880 12.007 3.775 1.00 0.00 H new ATOM 0 HE ARG A 13 7.933 9.998 4.548 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.842 11.157 6.994 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.678 10.341 8.319 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.348 9.295 6.319 1.00 0.00 H new ATOM 0 HH22 ARG A 13 8.647 9.296 7.940 1.00 0.00 H new ATOM 229 N ARG A 14 9.712 15.372 3.077 1.00 0.00 N ATOM 230 CA ARG A 14 9.320 16.749 2.666 1.00 0.00 C ATOM 231 C ARG A 14 8.791 16.739 1.231 1.00 0.00 C ATOM 232 O ARG A 14 8.035 17.601 0.830 1.00 0.00 O ATOM 233 CB ARG A 14 10.602 17.576 2.758 1.00 0.00 C ATOM 234 CG ARG A 14 11.125 17.553 4.196 1.00 0.00 C ATOM 235 CD ARG A 14 12.383 18.421 4.301 1.00 0.00 C ATOM 236 NE ARG A 14 13.365 17.794 3.373 1.00 0.00 N ATOM 237 CZ ARG A 14 14.556 18.309 3.240 1.00 0.00 C ATOM 238 NH1 ARG A 14 15.373 18.336 4.257 1.00 0.00 N ATOM 239 NH2 ARG A 14 14.932 18.797 2.089 1.00 0.00 N ATOM 0 H ARG A 14 10.704 15.244 3.279 1.00 0.00 H new ATOM 0 HA ARG A 14 8.529 17.157 3.296 1.00 0.00 H new ATOM 0 HB2 ARG A 14 11.355 17.175 2.080 1.00 0.00 H new ATOM 0 HB3 ARG A 14 10.408 18.603 2.447 1.00 0.00 H new ATOM 0 HG2 ARG A 14 10.359 17.922 4.878 1.00 0.00 H new ATOM 0 HG3 ARG A 14 11.352 16.529 4.495 1.00 0.00 H new ATOM 0 HD2 ARG A 14 12.175 19.453 4.017 1.00 0.00 H new ATOM 0 HD3 ARG A 14 12.763 18.442 5.322 1.00 0.00 H new ATOM 0 HE ARG A 14 13.106 16.962 2.842 1.00 0.00 H new ATOM 0 HH11 ARG A 14 15.080 17.954 5.156 1.00 0.00 H new ATOM 0 HH12 ARG A 14 16.304 18.739 4.153 1.00 0.00 H new ATOM 0 HH21 ARG A 14 14.294 18.776 1.293 1.00 0.00 H new ATOM 0 HH22 ARG A 14 15.863 19.200 1.986 1.00 0.00 H new ATOM 253 N ALA A 15 9.182 15.767 0.452 1.00 0.00 N ATOM 254 CA ALA A 15 8.705 15.697 -0.951 1.00 0.00 C ATOM 255 C ALA A 15 7.602 14.645 -1.080 1.00 0.00 C ATOM 256 O ALA A 15 6.644 14.821 -1.807 1.00 0.00 O ATOM 257 CB ALA A 15 9.932 15.294 -1.769 1.00 0.00 C ATOM 0 H ALA A 15 9.814 15.017 0.732 1.00 0.00 H new ATOM 0 HA ALA A 15 8.283 16.643 -1.292 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.659 15.221 -2.822 1.00 0.00 H new ATOM 0 HB2 ALA A 15 10.713 16.045 -1.648 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.300 14.329 -1.422 1.00 0.00 H new ATOM 263 N SER A 16 7.729 13.550 -0.383 1.00 0.00 N ATOM 264 CA SER A 16 6.693 12.485 -0.469 1.00 0.00 C ATOM 265 C SER A 16 5.419 12.893 0.280 1.00 0.00 C ATOM 266 O SER A 16 4.433 12.181 0.272 1.00 0.00 O ATOM 267 CB SER A 16 7.328 11.261 0.174 1.00 0.00 C ATOM 268 OG SER A 16 6.406 10.181 0.145 1.00 0.00 O ATOM 0 H SER A 16 8.508 13.347 0.244 1.00 0.00 H new ATOM 0 HA SER A 16 6.392 12.296 -1.500 1.00 0.00 H new ATOM 0 HB2 SER A 16 8.240 10.989 -0.357 1.00 0.00 H new ATOM 0 HB3 SER A 16 7.613 11.483 1.202 1.00 0.00 H new ATOM 0 HG SER A 16 5.496 10.525 0.260 1.00 0.00 H new ATOM 274 N THR A 17 5.419 14.033 0.913 1.00 0.00 N ATOM 275 CA THR A 17 4.204 14.477 1.640 1.00 0.00 C ATOM 276 C THR A 17 3.803 15.887 1.193 1.00 0.00 C ATOM 277 O THR A 17 2.795 16.418 1.613 1.00 0.00 O ATOM 278 CB THR A 17 4.591 14.468 3.118 1.00 0.00 C ATOM 279 OG1 THR A 17 4.974 13.153 3.493 1.00 0.00 O ATOM 280 CG2 THR A 17 3.395 14.912 3.964 1.00 0.00 C ATOM 0 H THR A 17 6.210 14.675 0.957 1.00 0.00 H new ATOM 0 HA THR A 17 3.350 13.829 1.444 1.00 0.00 H new ATOM 0 HB THR A 17 5.423 15.153 3.282 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.229 12.715 3.955 1.00 0.00 H new ATOM 0 HG21 THR A 17 3.672 14.905 5.018 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.098 15.920 3.674 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.562 14.228 3.804 1.00 0.00 H new ATOM 288 N ILE A 18 4.573 16.493 0.328 1.00 0.00 N ATOM 289 CA ILE A 18 4.226 17.845 -0.159 1.00 0.00 C ATOM 290 C ILE A 18 3.923 17.793 -1.660 1.00 0.00 C ATOM 291 O ILE A 18 3.346 18.705 -2.217 1.00 0.00 O ATOM 292 CB ILE A 18 5.455 18.700 0.119 1.00 0.00 C ATOM 293 CG1 ILE A 18 5.741 18.714 1.622 1.00 0.00 C ATOM 294 CG2 ILE A 18 5.208 20.130 -0.365 1.00 0.00 C ATOM 295 CD1 ILE A 18 4.541 19.302 2.366 1.00 0.00 C ATOM 0 H ILE A 18 5.431 16.101 -0.060 1.00 0.00 H new ATOM 0 HA ILE A 18 3.341 18.251 0.331 1.00 0.00 H new ATOM 0 HB ILE A 18 6.311 18.281 -0.410 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.940 17.702 1.974 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.634 19.304 1.827 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.089 20.739 -0.165 1.00 0.00 H new ATOM 0 HG22 ILE A 18 5.008 20.122 -1.437 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.350 20.549 0.161 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.746 19.312 3.437 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.363 20.321 2.022 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.658 18.693 2.171 1.00 0.00 H new ATOM 307 N GLU A 19 4.306 16.726 -2.320 1.00 0.00 N ATOM 308 CA GLU A 19 4.038 16.621 -3.777 1.00 0.00 C ATOM 309 C GLU A 19 2.756 15.822 -4.033 1.00 0.00 C ATOM 310 O GLU A 19 2.048 16.062 -4.989 1.00 0.00 O ATOM 311 CB GLU A 19 5.244 15.894 -4.350 1.00 0.00 C ATOM 312 CG GLU A 19 6.510 16.707 -4.078 1.00 0.00 C ATOM 313 CD GLU A 19 6.394 18.077 -4.752 1.00 0.00 C ATOM 314 OE1 GLU A 19 6.271 18.109 -5.966 1.00 0.00 O ATOM 315 OE2 GLU A 19 6.430 19.069 -4.043 1.00 0.00 O ATOM 0 H GLU A 19 4.791 15.929 -1.908 1.00 0.00 H new ATOM 0 HA GLU A 19 3.894 17.599 -4.237 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.332 14.904 -3.901 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.117 15.748 -5.423 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.652 16.829 -3.004 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.384 16.177 -4.457 1.00 0.00 H new ATOM 322 N MET A 20 2.452 14.873 -3.189 1.00 0.00 N ATOM 323 CA MET A 20 1.215 14.065 -3.397 1.00 0.00 C ATOM 324 C MET A 20 0.452 13.887 -2.078 1.00 0.00 C ATOM 325 O MET A 20 0.106 12.784 -1.713 1.00 0.00 O ATOM 326 CB MET A 20 1.705 12.724 -3.919 1.00 0.00 C ATOM 327 CG MET A 20 2.473 12.940 -5.221 1.00 0.00 C ATOM 328 SD MET A 20 3.023 11.342 -5.872 1.00 0.00 S ATOM 329 CE MET A 20 1.388 10.590 -6.042 1.00 0.00 C ATOM 0 H MET A 20 3.003 14.623 -2.368 1.00 0.00 H new ATOM 0 HA MET A 20 0.525 14.547 -4.089 1.00 0.00 H new ATOM 0 HB2 MET A 20 2.347 12.245 -3.180 1.00 0.00 H new ATOM 0 HB3 MET A 20 0.861 12.056 -4.088 1.00 0.00 H new ATOM 0 HG2 MET A 20 1.838 13.443 -5.951 1.00 0.00 H new ATOM 0 HG3 MET A 20 3.332 13.588 -5.046 1.00 0.00 H new ATOM 0 HE1 MET A 20 1.399 9.877 -6.867 1.00 0.00 H new ATOM 0 HE2 MET A 20 1.128 10.072 -5.119 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.650 11.366 -6.243 1.00 0.00 H new ATOM 339 N PRO A 21 0.210 14.984 -1.406 1.00 0.00 N ATOM 340 CA PRO A 21 -0.524 14.936 -0.119 1.00 0.00 C ATOM 341 C PRO A 21 -2.011 14.644 -0.354 1.00 0.00 C ATOM 342 O PRO A 21 -2.630 13.906 0.387 1.00 0.00 O ATOM 343 CB PRO A 21 -0.332 16.338 0.455 1.00 0.00 C ATOM 344 CG PRO A 21 -0.075 17.210 -0.727 1.00 0.00 C ATOM 345 CD PRO A 21 0.593 16.354 -1.772 1.00 0.00 C ATOM 0 HA PRO A 21 -0.164 14.152 0.547 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.217 16.665 1.001 1.00 0.00 H new ATOM 0 HB3 PRO A 21 0.503 16.366 1.155 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -1.007 17.626 -1.109 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.562 18.051 -0.454 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.252 16.609 -2.775 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.675 16.482 -1.761 1.00 0.00 H new ATOM 353 N GLN A 22 -2.589 15.216 -1.375 1.00 0.00 N ATOM 354 CA GLN A 22 -4.033 14.966 -1.651 1.00 0.00 C ATOM 355 C GLN A 22 -4.234 13.564 -2.227 1.00 0.00 C ATOM 356 O GLN A 22 -5.059 12.803 -1.766 1.00 0.00 O ATOM 357 CB GLN A 22 -4.432 16.026 -2.669 1.00 0.00 C ATOM 358 CG GLN A 22 -4.199 17.418 -2.080 1.00 0.00 C ATOM 359 CD GLN A 22 -5.056 17.589 -0.824 1.00 0.00 C ATOM 360 OE1 GLN A 22 -6.266 17.506 -0.884 1.00 0.00 O ATOM 361 NE2 GLN A 22 -4.473 17.824 0.320 1.00 0.00 N ATOM 0 H GLN A 22 -2.124 15.845 -2.030 1.00 0.00 H new ATOM 0 HA GLN A 22 -4.638 15.022 -0.746 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -3.850 15.905 -3.582 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -5.481 15.906 -2.941 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -3.145 17.549 -1.835 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -4.453 18.183 -2.814 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -3.457 17.894 0.370 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -5.034 17.938 1.164 1.00 0.00 H new ATOM 370 N GLN A 23 -3.481 13.217 -3.235 1.00 0.00 N ATOM 371 CA GLN A 23 -3.624 11.868 -3.846 1.00 0.00 C ATOM 372 C GLN A 23 -3.264 10.807 -2.805 1.00 0.00 C ATOM 373 O GLN A 23 -4.026 9.897 -2.548 1.00 0.00 O ATOM 374 CB GLN A 23 -2.635 11.879 -5.012 1.00 0.00 C ATOM 375 CG GLN A 23 -2.895 10.718 -5.989 1.00 0.00 C ATOM 376 CD GLN A 23 -2.412 9.384 -5.409 1.00 0.00 C ATOM 377 OE1 GLN A 23 -2.981 8.859 -4.478 1.00 0.00 O ATOM 378 NE2 GLN A 23 -1.365 8.809 -5.933 1.00 0.00 N ATOM 0 H GLN A 23 -2.771 13.812 -3.662 1.00 0.00 H new ATOM 0 HA GLN A 23 -4.634 11.641 -4.186 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -2.711 12.827 -5.545 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.618 11.810 -4.627 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -3.961 10.657 -6.209 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -2.385 10.913 -6.933 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -0.882 9.247 -6.717 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -1.029 7.922 -5.558 1.00 0.00 H new ATOM 387 N ALA A 24 -2.115 10.918 -2.196 1.00 0.00 N ATOM 388 CA ALA A 24 -1.724 9.915 -1.166 1.00 0.00 C ATOM 389 C ALA A 24 -2.824 9.804 -0.107 1.00 0.00 C ATOM 390 O ALA A 24 -3.122 8.733 0.382 1.00 0.00 O ATOM 391 CB ALA A 24 -0.434 10.452 -0.549 1.00 0.00 C ATOM 0 H ALA A 24 -1.433 11.657 -2.366 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.582 8.920 -1.588 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.085 9.764 0.221 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.327 10.547 -1.323 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.623 11.429 -0.104 1.00 0.00 H new ATOM 397 N ARG A 25 -3.436 10.904 0.242 1.00 0.00 N ATOM 398 CA ARG A 25 -4.523 10.857 1.260 1.00 0.00 C ATOM 399 C ARG A 25 -5.693 10.021 0.736 1.00 0.00 C ATOM 400 O ARG A 25 -6.204 9.153 1.415 1.00 0.00 O ATOM 401 CB ARG A 25 -4.946 12.306 1.464 1.00 0.00 C ATOM 402 CG ARG A 25 -6.090 12.367 2.478 1.00 0.00 C ATOM 403 CD ARG A 25 -6.502 13.824 2.715 1.00 0.00 C ATOM 404 NE ARG A 25 -6.941 14.330 1.382 1.00 0.00 N ATOM 405 CZ ARG A 25 -7.385 15.555 1.255 1.00 0.00 C ATOM 406 NH1 ARG A 25 -7.099 16.462 2.153 1.00 0.00 N ATOM 407 NH2 ARG A 25 -8.117 15.876 0.222 1.00 0.00 N ATOM 0 H ARG A 25 -3.230 11.830 -0.133 1.00 0.00 H new ATOM 0 HA ARG A 25 -4.196 10.400 2.194 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.101 12.896 1.818 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.263 12.740 0.516 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.942 11.794 2.112 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.779 11.911 3.418 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.308 13.891 3.446 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.669 14.410 3.104 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.895 13.719 0.566 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.526 16.217 2.960 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.449 17.414 2.046 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.341 15.173 -0.482 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -8.465 16.829 0.120 1.00 0.00 H new ATOM 421 N GLN A 26 -6.114 10.273 -0.474 1.00 0.00 N ATOM 422 CA GLN A 26 -7.243 9.494 -1.053 1.00 0.00 C ATOM 423 C GLN A 26 -6.841 8.031 -1.228 1.00 0.00 C ATOM 424 O GLN A 26 -7.497 7.131 -0.741 1.00 0.00 O ATOM 425 CB GLN A 26 -7.502 10.138 -2.406 1.00 0.00 C ATOM 426 CG GLN A 26 -7.905 11.595 -2.200 1.00 0.00 C ATOM 427 CD GLN A 26 -9.209 11.656 -1.403 1.00 0.00 C ATOM 428 OE1 GLN A 26 -10.227 11.163 -1.846 1.00 0.00 O ATOM 429 NE2 GLN A 26 -9.222 12.236 -0.234 1.00 0.00 N ATOM 0 H GLN A 26 -5.722 10.988 -1.088 1.00 0.00 H new ATOM 0 HA GLN A 26 -8.126 9.506 -0.414 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -6.608 10.080 -3.027 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.291 9.601 -2.933 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.117 12.130 -1.670 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.032 12.088 -3.164 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.368 12.650 0.139 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.086 12.275 0.306 1.00 0.00 H new ATOM 438 N ASN A 27 -5.763 7.790 -1.919 1.00 0.00 N ATOM 439 CA ASN A 27 -5.306 6.383 -2.131 1.00 0.00 C ATOM 440 C ASN A 27 -5.252 5.635 -0.794 1.00 0.00 C ATOM 441 O ASN A 27 -5.548 4.460 -0.717 1.00 0.00 O ATOM 442 CB ASN A 27 -3.912 6.509 -2.731 1.00 0.00 C ATOM 443 CG ASN A 27 -3.336 5.126 -3.086 1.00 0.00 C ATOM 444 OD1 ASN A 27 -2.198 5.032 -3.501 1.00 0.00 O ATOM 445 ND2 ASN A 27 -4.067 4.047 -2.962 1.00 0.00 N ATOM 0 H ASN A 27 -5.176 8.505 -2.348 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.980 5.823 -2.779 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -3.952 7.130 -3.626 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -3.252 7.011 -2.024 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -3.680 3.137 -3.213 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -5.023 4.116 -2.614 1.00 0.00 H new ATOM 452 N LEU A 28 -4.876 6.308 0.260 1.00 0.00 N ATOM 453 CA LEU A 28 -4.806 5.634 1.588 1.00 0.00 C ATOM 454 C LEU A 28 -6.129 4.936 1.903 1.00 0.00 C ATOM 455 O LEU A 28 -6.163 3.922 2.572 1.00 0.00 O ATOM 456 CB LEU A 28 -4.543 6.750 2.589 1.00 0.00 C ATOM 457 CG LEU A 28 -4.495 6.163 4.001 1.00 0.00 C ATOM 458 CD1 LEU A 28 -3.371 5.130 4.085 1.00 0.00 C ATOM 459 CD2 LEU A 28 -4.241 7.280 5.014 1.00 0.00 C ATOM 0 H LEU A 28 -4.615 7.294 0.259 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.030 4.869 1.616 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.601 7.247 2.357 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.326 7.505 2.523 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.447 5.683 4.226 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.336 4.711 5.091 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.556 4.332 3.366 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.419 5.609 3.858 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.207 6.859 6.019 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.290 7.764 4.791 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.044 8.014 4.955 1.00 0.00 H new ATOM 471 N GLN A 29 -7.220 5.475 1.434 1.00 0.00 N ATOM 472 CA GLN A 29 -8.539 4.847 1.712 1.00 0.00 C ATOM 473 C GLN A 29 -8.693 3.540 0.928 1.00 0.00 C ATOM 474 O GLN A 29 -9.562 2.740 1.208 1.00 0.00 O ATOM 475 CB GLN A 29 -9.569 5.865 1.243 1.00 0.00 C ATOM 476 CG GLN A 29 -9.359 7.205 1.960 1.00 0.00 C ATOM 477 CD GLN A 29 -9.555 7.031 3.468 1.00 0.00 C ATOM 478 OE1 GLN A 29 -8.818 6.312 4.115 1.00 0.00 O ATOM 479 NE2 GLN A 29 -10.527 7.667 4.064 1.00 0.00 N ATOM 0 H GLN A 29 -7.254 6.324 0.870 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.654 4.598 2.767 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -9.487 6.005 0.165 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -10.574 5.493 1.441 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -8.357 7.582 1.757 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.062 7.945 1.577 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -11.147 8.271 3.525 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.666 7.560 5.069 1.00 0.00 H new ATOM 488 N ASN A 30 -7.865 3.318 -0.057 1.00 0.00 N ATOM 489 CA ASN A 30 -7.978 2.069 -0.857 1.00 0.00 C ATOM 490 C ASN A 30 -7.378 0.882 -0.097 1.00 0.00 C ATOM 491 O ASN A 30 -7.982 -0.168 0.007 1.00 0.00 O ATOM 492 CB ASN A 30 -7.186 2.345 -2.128 1.00 0.00 C ATOM 493 CG ASN A 30 -7.286 1.163 -3.107 1.00 0.00 C ATOM 494 OD1 ASN A 30 -6.648 1.175 -4.141 1.00 0.00 O ATOM 495 ND2 ASN A 30 -8.073 0.146 -2.852 1.00 0.00 N ATOM 0 H ASN A 30 -7.116 3.949 -0.341 1.00 0.00 H new ATOM 0 HA ASN A 30 -9.016 1.810 -1.066 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -7.561 3.250 -2.605 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -6.141 2.527 -1.877 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -8.144 -0.623 -3.518 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -8.614 0.124 -1.987 1.00 0.00 H new ATOM 502 N LEU A 31 -6.196 1.036 0.431 1.00 0.00 N ATOM 503 CA LEU A 31 -5.562 -0.088 1.178 1.00 0.00 C ATOM 504 C LEU A 31 -6.517 -0.630 2.243 1.00 0.00 C ATOM 505 O LEU A 31 -6.481 -1.794 2.586 1.00 0.00 O ATOM 506 CB LEU A 31 -4.328 0.518 1.830 1.00 0.00 C ATOM 507 CG LEU A 31 -3.591 -0.556 2.632 1.00 0.00 C ATOM 508 CD1 LEU A 31 -3.171 -1.693 1.698 1.00 0.00 C ATOM 509 CD2 LEU A 31 -2.348 0.055 3.282 1.00 0.00 C ATOM 0 H LEU A 31 -5.641 1.890 0.378 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.312 -0.924 0.525 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.669 0.933 1.068 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.617 1.340 2.484 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.251 -0.947 3.406 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.646 -2.458 2.270 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.056 -2.129 1.235 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.511 -1.302 0.923 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.823 -0.710 3.854 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.688 0.447 2.508 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.646 0.864 3.948 1.00 0.00 H new ATOM 521 N PHE A 32 -7.369 0.206 2.770 1.00 0.00 N ATOM 522 CA PHE A 32 -8.319 -0.263 3.814 1.00 0.00 C ATOM 523 C PHE A 32 -9.240 -1.342 3.239 1.00 0.00 C ATOM 524 O PHE A 32 -9.525 -2.333 3.882 1.00 0.00 O ATOM 525 CB PHE A 32 -9.112 0.984 4.218 1.00 0.00 C ATOM 526 CG PHE A 32 -10.032 0.659 5.373 1.00 0.00 C ATOM 527 CD1 PHE A 32 -11.116 -0.214 5.197 1.00 0.00 C ATOM 528 CD2 PHE A 32 -9.792 1.225 6.631 1.00 0.00 C ATOM 529 CE1 PHE A 32 -11.955 -0.515 6.276 1.00 0.00 C ATOM 530 CE2 PHE A 32 -10.632 0.924 7.708 1.00 0.00 C ATOM 531 CZ PHE A 32 -11.713 0.054 7.531 1.00 0.00 C ATOM 0 H PHE A 32 -7.447 1.192 2.522 1.00 0.00 H new ATOM 0 HA PHE A 32 -7.813 -0.709 4.670 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.428 1.784 4.501 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -9.693 1.346 3.370 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -11.303 -0.654 4.229 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.957 1.895 6.770 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -12.790 -1.187 6.140 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -10.446 1.363 8.677 1.00 0.00 H new ATOM 0 HZ PHE A 32 -12.361 -0.178 8.363 1.00 0.00 H new ATOM 541 N ILE A 33 -9.704 -1.163 2.033 1.00 0.00 N ATOM 542 CA ILE A 33 -10.598 -2.188 1.424 1.00 0.00 C ATOM 543 C ILE A 33 -9.751 -3.305 0.809 1.00 0.00 C ATOM 544 O ILE A 33 -9.968 -4.474 1.062 1.00 0.00 O ATOM 545 CB ILE A 33 -11.411 -1.462 0.345 1.00 0.00 C ATOM 546 CG1 ILE A 33 -12.393 -0.470 0.986 1.00 0.00 C ATOM 547 CG2 ILE A 33 -12.199 -2.478 -0.483 1.00 0.00 C ATOM 548 CD1 ILE A 33 -11.635 0.698 1.621 1.00 0.00 C ATOM 0 H ILE A 33 -9.504 -0.354 1.445 1.00 0.00 H new ATOM 0 HA ILE A 33 -11.258 -2.645 2.162 1.00 0.00 H new ATOM 0 HB ILE A 33 -10.719 -0.917 -0.297 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -13.085 -0.095 0.232 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -12.991 -0.978 1.743 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -12.774 -1.956 -1.248 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -11.508 -3.173 -0.960 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -12.877 -3.030 0.168 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -12.346 1.391 2.071 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -10.961 0.320 2.390 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -11.057 1.216 0.855 1.00 0.00 H new ATOM 560 N ASN A 34 -8.780 -2.953 0.010 1.00 0.00 N ATOM 561 CA ASN A 34 -7.913 -3.992 -0.612 1.00 0.00 C ATOM 562 C ASN A 34 -7.350 -4.915 0.474 1.00 0.00 C ATOM 563 O ASN A 34 -7.176 -6.100 0.268 1.00 0.00 O ATOM 564 CB ASN A 34 -6.788 -3.210 -1.292 1.00 0.00 C ATOM 565 CG ASN A 34 -5.843 -4.156 -2.053 1.00 0.00 C ATOM 566 OD1 ASN A 34 -4.849 -3.715 -2.592 1.00 0.00 O ATOM 567 ND2 ASN A 34 -6.110 -5.436 -2.145 1.00 0.00 N ATOM 0 H ASN A 34 -8.550 -1.991 -0.238 1.00 0.00 H new ATOM 0 HA ASN A 34 -8.453 -4.621 -1.319 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -7.212 -2.481 -1.982 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -6.225 -2.651 -0.545 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -5.485 -6.051 -2.666 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -6.943 -5.817 -1.696 1.00 0.00 H new ATOM 574 N PHE A 35 -7.066 -4.379 1.631 1.00 0.00 N ATOM 575 CA PHE A 35 -6.519 -5.220 2.731 1.00 0.00 C ATOM 576 C PHE A 35 -7.562 -6.250 3.171 1.00 0.00 C ATOM 577 O PHE A 35 -7.250 -7.398 3.413 1.00 0.00 O ATOM 578 CB PHE A 35 -6.207 -4.228 3.858 1.00 0.00 C ATOM 579 CG PHE A 35 -5.638 -4.948 5.061 1.00 0.00 C ATOM 580 CD1 PHE A 35 -6.444 -5.810 5.820 1.00 0.00 C ATOM 581 CD2 PHE A 35 -4.297 -4.756 5.417 1.00 0.00 C ATOM 582 CE1 PHE A 35 -5.908 -6.473 6.931 1.00 0.00 C ATOM 583 CE2 PHE A 35 -3.763 -5.418 6.529 1.00 0.00 C ATOM 584 CZ PHE A 35 -4.568 -6.278 7.285 1.00 0.00 C ATOM 0 H PHE A 35 -7.190 -3.393 1.861 1.00 0.00 H new ATOM 0 HA PHE A 35 -5.634 -5.784 2.434 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -5.496 -3.481 3.505 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -7.115 -3.695 4.142 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -7.478 -5.962 5.547 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -3.674 -4.096 4.832 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -6.529 -7.136 7.515 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -2.730 -5.265 6.804 1.00 0.00 H new ATOM 0 HZ PHE A 35 -4.155 -6.791 8.141 1.00 0.00 H new ATOM 594 N CYS A 36 -8.797 -5.849 3.278 1.00 0.00 N ATOM 595 CA CYS A 36 -9.853 -6.804 3.704 1.00 0.00 C ATOM 596 C CYS A 36 -10.325 -7.656 2.520 1.00 0.00 C ATOM 597 O CYS A 36 -11.095 -8.582 2.681 1.00 0.00 O ATOM 598 CB CYS A 36 -10.992 -5.925 4.224 1.00 0.00 C ATOM 599 SG CYS A 36 -12.348 -6.973 4.806 1.00 0.00 S ATOM 0 H CYS A 36 -9.120 -4.900 3.088 1.00 0.00 H new ATOM 0 HA CYS A 36 -9.493 -7.501 4.461 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -10.635 -5.291 5.035 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -11.344 -5.263 3.433 1.00 0.00 H new ATOM 0 HG CYS A 36 -12.346 -8.092 4.145 1.00 0.00 H new ATOM 605 N LEU A 37 -9.874 -7.355 1.333 1.00 0.00 N ATOM 606 CA LEU A 37 -10.297 -8.149 0.155 1.00 0.00 C ATOM 607 C LEU A 37 -9.131 -9.025 -0.311 1.00 0.00 C ATOM 608 O LEU A 37 -9.320 -10.118 -0.805 1.00 0.00 O ATOM 609 CB LEU A 37 -10.677 -7.099 -0.903 1.00 0.00 C ATOM 610 CG LEU A 37 -11.339 -7.762 -2.124 1.00 0.00 C ATOM 611 CD1 LEU A 37 -10.327 -8.622 -2.885 1.00 0.00 C ATOM 612 CD2 LEU A 37 -12.516 -8.626 -1.666 1.00 0.00 C ATOM 0 H LEU A 37 -9.229 -6.591 1.132 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.130 -8.822 0.361 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.358 -6.368 -0.467 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.786 -6.556 -1.218 1.00 0.00 H new ATOM 0 HG LEU A 37 -11.701 -6.981 -2.793 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.814 -9.082 -3.745 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -9.502 -7.997 -3.227 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.943 -9.401 -2.226 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -12.983 -9.094 -2.533 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -12.157 -9.398 -0.986 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -13.248 -8.002 -1.153 1.00 0.00 H new ATOM 624 N ILE A 38 -7.925 -8.552 -0.156 1.00 0.00 N ATOM 625 CA ILE A 38 -6.747 -9.356 -0.592 1.00 0.00 C ATOM 626 C ILE A 38 -6.521 -10.530 0.369 1.00 0.00 C ATOM 627 O ILE A 38 -6.147 -11.612 -0.037 1.00 0.00 O ATOM 628 CB ILE A 38 -5.561 -8.387 -0.547 1.00 0.00 C ATOM 629 CG1 ILE A 38 -4.310 -9.090 -1.079 1.00 0.00 C ATOM 630 CG2 ILE A 38 -5.310 -7.938 0.897 1.00 0.00 C ATOM 631 CD1 ILE A 38 -4.546 -9.531 -2.525 1.00 0.00 C ATOM 0 H ILE A 38 -7.704 -7.644 0.253 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.885 -9.782 -1.586 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.787 -7.516 -1.163 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.453 -8.418 -1.028 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.074 -9.954 -0.458 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -4.466 -7.249 0.922 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.198 -7.437 1.282 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.087 -8.808 1.515 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.654 -10.031 -2.903 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -5.391 -10.218 -2.562 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -4.761 -8.658 -3.141 1.00 0.00 H new ATOM 643 N LEU A 39 -6.741 -10.324 1.642 1.00 0.00 N ATOM 644 CA LEU A 39 -6.529 -11.425 2.623 1.00 0.00 C ATOM 645 C LEU A 39 -7.573 -12.530 2.435 1.00 0.00 C ATOM 646 O LEU A 39 -7.367 -13.664 2.820 1.00 0.00 O ATOM 647 CB LEU A 39 -6.689 -10.772 3.995 1.00 0.00 C ATOM 648 CG LEU A 39 -5.617 -9.700 4.176 1.00 0.00 C ATOM 649 CD1 LEU A 39 -5.778 -9.043 5.547 1.00 0.00 C ATOM 650 CD2 LEU A 39 -4.233 -10.345 4.080 1.00 0.00 C ATOM 0 H LEU A 39 -7.058 -9.441 2.042 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.552 -11.893 2.500 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.681 -10.329 4.085 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.603 -11.524 4.780 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.723 -8.945 3.397 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.013 -8.278 5.676 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.765 -8.585 5.617 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.672 -9.797 6.327 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.466 -9.581 4.209 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.128 -11.100 4.860 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.117 -10.814 3.103 1.00 0.00 H new ATOM 662 N ILE A 40 -8.697 -12.210 1.857 1.00 0.00 N ATOM 663 CA ILE A 40 -9.750 -13.238 1.659 1.00 0.00 C ATOM 664 C ILE A 40 -9.666 -13.821 0.244 1.00 0.00 C ATOM 665 O ILE A 40 -9.932 -14.986 0.026 1.00 0.00 O ATOM 666 CB ILE A 40 -11.084 -12.515 1.879 1.00 0.00 C ATOM 667 CG1 ILE A 40 -11.248 -12.115 3.356 1.00 0.00 C ATOM 668 CG2 ILE A 40 -12.245 -13.432 1.477 1.00 0.00 C ATOM 669 CD1 ILE A 40 -10.234 -11.035 3.742 1.00 0.00 C ATOM 0 H ILE A 40 -8.930 -11.278 1.513 1.00 0.00 H new ATOM 0 HA ILE A 40 -9.637 -14.074 2.349 1.00 0.00 H new ATOM 0 HB ILE A 40 -11.091 -11.615 1.264 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -12.260 -11.748 3.528 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -11.114 -12.990 3.992 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -13.190 -12.913 1.635 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -12.150 -13.699 0.425 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -12.221 -14.337 2.085 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -10.368 -10.768 4.790 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -9.223 -11.414 3.591 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -10.387 -10.153 3.120 1.00 0.00 H new ATOM 681 N PHE A 41 -9.305 -13.020 -0.718 1.00 0.00 N ATOM 682 CA PHE A 41 -9.211 -13.528 -2.115 1.00 0.00 C ATOM 683 C PHE A 41 -8.198 -14.674 -2.206 1.00 0.00 C ATOM 684 O PHE A 41 -8.450 -15.688 -2.827 1.00 0.00 O ATOM 685 CB PHE A 41 -8.736 -12.330 -2.936 1.00 0.00 C ATOM 686 CG PHE A 41 -8.587 -12.732 -4.385 1.00 0.00 C ATOM 687 CD1 PHE A 41 -9.693 -13.218 -5.094 1.00 0.00 C ATOM 688 CD2 PHE A 41 -7.345 -12.617 -5.019 1.00 0.00 C ATOM 689 CE1 PHE A 41 -9.553 -13.589 -6.437 1.00 0.00 C ATOM 690 CE2 PHE A 41 -7.206 -12.987 -6.362 1.00 0.00 C ATOM 691 CZ PHE A 41 -8.311 -13.472 -7.072 1.00 0.00 C ATOM 0 H PHE A 41 -9.071 -12.035 -0.598 1.00 0.00 H new ATOM 0 HA PHE A 41 -10.162 -13.923 -2.472 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -9.449 -11.511 -2.848 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -7.784 -11.967 -2.550 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -10.652 -13.306 -4.606 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -6.493 -12.242 -4.472 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -10.405 -13.966 -6.984 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -6.247 -12.898 -6.850 1.00 0.00 H new ATOM 0 HZ PHE A 41 -8.205 -13.756 -8.109 1.00 0.00 H new ATOM 701 N LEU A 42 -7.051 -14.517 -1.603 1.00 0.00 N ATOM 702 CA LEU A 42 -6.021 -15.594 -1.670 1.00 0.00 C ATOM 703 C LEU A 42 -6.540 -16.890 -1.038 1.00 0.00 C ATOM 704 O LEU A 42 -5.981 -17.951 -1.234 1.00 0.00 O ATOM 705 CB LEU A 42 -4.805 -15.035 -0.906 1.00 0.00 C ATOM 706 CG LEU A 42 -5.168 -14.704 0.551 1.00 0.00 C ATOM 707 CD1 LEU A 42 -5.295 -15.992 1.370 1.00 0.00 C ATOM 708 CD2 LEU A 42 -4.053 -13.852 1.164 1.00 0.00 C ATOM 0 H LEU A 42 -6.782 -13.691 -1.068 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.762 -15.852 -2.697 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.994 -15.763 -0.925 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.440 -14.138 -1.405 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.116 -14.166 0.564 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.552 -15.744 2.400 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.076 -16.620 0.942 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.347 -16.530 1.352 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.304 -13.613 2.198 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.115 -14.406 1.137 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.946 -12.929 0.594 1.00 0.00 H new ATOM 720 N LEU A 43 -7.599 -16.817 -0.280 1.00 0.00 N ATOM 721 CA LEU A 43 -8.138 -18.045 0.362 1.00 0.00 C ATOM 722 C LEU A 43 -9.210 -18.671 -0.539 1.00 0.00 C ATOM 723 O LEU A 43 -9.324 -19.877 -0.638 1.00 0.00 O ATOM 724 CB LEU A 43 -8.735 -17.565 1.693 1.00 0.00 C ATOM 725 CG LEU A 43 -9.127 -18.762 2.573 1.00 0.00 C ATOM 726 CD1 LEU A 43 -9.510 -18.260 3.968 1.00 0.00 C ATOM 727 CD2 LEU A 43 -10.313 -19.512 1.962 1.00 0.00 C ATOM 0 H LEU A 43 -8.113 -15.959 -0.078 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.378 -18.810 0.522 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -8.011 -16.942 2.219 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.611 -16.945 1.502 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.278 -19.442 2.640 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -9.789 -19.107 4.595 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -8.661 -17.742 4.414 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -10.353 -17.574 3.889 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -10.577 -20.356 2.599 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -11.166 -18.839 1.881 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.042 -19.876 0.971 1.00 0.00 H new ATOM 739 N LEU A 44 -10.001 -17.862 -1.187 1.00 0.00 N ATOM 740 CA LEU A 44 -11.070 -18.408 -2.068 1.00 0.00 C ATOM 741 C LEU A 44 -10.463 -19.074 -3.309 1.00 0.00 C ATOM 742 O LEU A 44 -10.851 -20.158 -3.693 1.00 0.00 O ATOM 743 CB LEU A 44 -11.909 -17.196 -2.471 1.00 0.00 C ATOM 744 CG LEU A 44 -12.508 -16.549 -1.220 1.00 0.00 C ATOM 745 CD1 LEU A 44 -13.327 -15.321 -1.624 1.00 0.00 C ATOM 746 CD2 LEU A 44 -13.418 -17.555 -0.512 1.00 0.00 C ATOM 0 H LEU A 44 -9.953 -16.844 -1.144 1.00 0.00 H new ATOM 0 HA LEU A 44 -11.663 -19.170 -1.563 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -11.291 -16.475 -3.006 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -12.704 -17.501 -3.151 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.705 -16.247 -0.547 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -13.754 -14.859 -0.734 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.681 -14.604 -2.130 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -14.130 -15.624 -2.296 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -13.845 -17.095 0.379 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -14.221 -17.856 -1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -12.837 -18.432 -0.225 1.00 0.00 H new ATOM 758 N ILE A 45 -9.524 -18.427 -3.943 1.00 0.00 N ATOM 759 CA ILE A 45 -8.904 -19.020 -5.164 1.00 0.00 C ATOM 760 C ILE A 45 -8.278 -20.381 -4.850 1.00 0.00 C ATOM 761 O ILE A 45 -8.155 -21.230 -5.710 1.00 0.00 O ATOM 762 CB ILE A 45 -7.825 -18.025 -5.598 1.00 0.00 C ATOM 763 CG1 ILE A 45 -6.809 -17.842 -4.466 1.00 0.00 C ATOM 764 CG2 ILE A 45 -8.470 -16.677 -5.933 1.00 0.00 C ATOM 765 CD1 ILE A 45 -5.716 -16.870 -4.913 1.00 0.00 C ATOM 0 H ILE A 45 -9.159 -17.515 -3.670 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.643 -19.188 -5.947 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.316 -18.409 -6.482 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -7.307 -17.461 -3.574 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.369 -18.803 -4.199 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.699 -15.971 -6.242 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.187 -16.808 -6.743 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -8.984 -16.291 -5.053 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -4.993 -16.740 -4.108 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.211 -17.270 -5.793 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.164 -15.907 -5.158 1.00 0.00 H new ATOM 777 N CYS A 46 -7.870 -20.593 -3.632 1.00 0.00 N ATOM 778 CA CYS A 46 -7.241 -21.892 -3.273 1.00 0.00 C ATOM 779 C CYS A 46 -8.298 -22.987 -3.104 1.00 0.00 C ATOM 780 O CYS A 46 -8.027 -24.154 -3.304 1.00 0.00 O ATOM 781 CB CYS A 46 -6.528 -21.632 -1.954 1.00 0.00 C ATOM 782 SG CYS A 46 -5.700 -23.145 -1.405 1.00 0.00 S ATOM 0 H CYS A 46 -7.945 -19.921 -2.868 1.00 0.00 H new ATOM 0 HA CYS A 46 -6.560 -22.240 -4.050 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -5.800 -20.830 -2.074 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -7.244 -21.303 -1.201 1.00 0.00 H new ATOM 0 HG CYS A 46 -6.260 -24.175 -1.967 1.00 0.00 H new ATOM 788 N ILE A 47 -9.492 -22.630 -2.721 1.00 0.00 N ATOM 789 CA ILE A 47 -10.541 -23.666 -2.530 1.00 0.00 C ATOM 790 C ILE A 47 -11.439 -23.788 -3.768 1.00 0.00 C ATOM 791 O ILE A 47 -12.390 -24.546 -3.775 1.00 0.00 O ATOM 792 CB ILE A 47 -11.352 -23.219 -1.311 1.00 0.00 C ATOM 793 CG1 ILE A 47 -12.062 -21.897 -1.607 1.00 0.00 C ATOM 794 CG2 ILE A 47 -10.407 -23.028 -0.123 1.00 0.00 C ATOM 795 CD1 ILE A 47 -12.916 -21.499 -0.403 1.00 0.00 C ATOM 0 H ILE A 47 -9.784 -21.671 -2.533 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.098 -24.650 -2.379 1.00 0.00 H new ATOM 0 HB ILE A 47 -12.097 -23.980 -1.078 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -11.330 -21.118 -1.821 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -12.688 -21.998 -2.493 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -10.978 -22.709 0.749 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -9.904 -23.970 0.097 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.664 -22.269 -0.367 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -13.423 -20.557 -0.612 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -13.657 -22.275 -0.210 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -12.278 -21.381 0.473 1.00 0.00 H new ATOM 807 N ILE A 48 -11.148 -23.069 -4.819 1.00 0.00 N ATOM 808 CA ILE A 48 -11.989 -23.178 -6.040 1.00 0.00 C ATOM 809 C ILE A 48 -11.155 -23.702 -7.210 1.00 0.00 C ATOM 810 O ILE A 48 -11.670 -24.302 -8.133 1.00 0.00 O ATOM 811 CB ILE A 48 -12.498 -21.764 -6.330 1.00 0.00 C ATOM 812 CG1 ILE A 48 -11.314 -20.840 -6.623 1.00 0.00 C ATOM 813 CG2 ILE A 48 -13.265 -21.237 -5.116 1.00 0.00 C ATOM 814 CD1 ILE A 48 -11.834 -19.433 -6.926 1.00 0.00 C ATOM 0 H ILE A 48 -10.368 -22.415 -4.883 1.00 0.00 H new ATOM 0 HA ILE A 48 -12.816 -23.874 -5.899 1.00 0.00 H new ATOM 0 HB ILE A 48 -13.160 -21.791 -7.196 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -10.638 -20.814 -5.768 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -10.743 -21.219 -7.470 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -13.627 -20.230 -5.323 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -14.112 -21.891 -4.908 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -12.604 -21.214 -4.250 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -10.993 -18.772 -7.135 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -12.493 -19.468 -7.793 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -12.387 -19.056 -6.065 1.00 0.00 H new ATOM 826 N VAL A 49 -9.870 -23.482 -7.179 1.00 0.00 N ATOM 827 CA VAL A 49 -9.006 -23.972 -8.290 1.00 0.00 C ATOM 828 C VAL A 49 -8.478 -25.373 -7.970 1.00 0.00 C ATOM 829 O VAL A 49 -8.233 -26.168 -8.856 1.00 0.00 O ATOM 830 CB VAL A 49 -7.858 -22.966 -8.373 1.00 0.00 C ATOM 831 CG1 VAL A 49 -6.884 -23.392 -9.471 1.00 0.00 C ATOM 832 CG2 VAL A 49 -8.418 -21.580 -8.701 1.00 0.00 C ATOM 0 H VAL A 49 -9.381 -22.985 -6.434 1.00 0.00 H new ATOM 0 HA VAL A 49 -9.547 -24.047 -9.233 1.00 0.00 H new ATOM 0 HB VAL A 49 -7.336 -22.932 -7.417 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.066 -22.674 -9.530 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.485 -24.380 -9.240 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.406 -23.426 -10.427 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.600 -20.862 -8.760 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -8.940 -21.615 -9.657 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -9.113 -21.274 -7.919 1.00 0.00 H new ATOM 842 N MET A 50 -8.303 -25.687 -6.713 1.00 0.00 N ATOM 843 CA MET A 50 -7.793 -27.039 -6.356 1.00 0.00 C ATOM 844 C MET A 50 -8.809 -28.112 -6.761 1.00 0.00 C ATOM 845 O MET A 50 -8.486 -29.280 -6.862 1.00 0.00 O ATOM 846 CB MET A 50 -7.613 -27.020 -4.837 1.00 0.00 C ATOM 847 CG MET A 50 -8.966 -26.797 -4.159 1.00 0.00 C ATOM 848 SD MET A 50 -8.753 -26.854 -2.362 1.00 0.00 S ATOM 849 CE MET A 50 -8.107 -28.542 -2.266 1.00 0.00 C ATOM 0 H MET A 50 -8.491 -25.068 -5.924 1.00 0.00 H new ATOM 0 HA MET A 50 -6.860 -27.271 -6.870 1.00 0.00 H new ATOM 0 HB2 MET A 50 -7.178 -27.961 -4.501 1.00 0.00 H new ATOM 0 HB3 MET A 50 -6.919 -26.229 -4.553 1.00 0.00 H new ATOM 0 HG2 MET A 50 -9.380 -25.834 -4.457 1.00 0.00 H new ATOM 0 HG3 MET A 50 -9.675 -27.561 -4.477 1.00 0.00 H new ATOM 0 HE1 MET A 50 -8.359 -28.974 -1.297 1.00 0.00 H new ATOM 0 HE2 MET A 50 -8.548 -29.146 -3.059 1.00 0.00 H new ATOM 0 HE3 MET A 50 -7.024 -28.524 -2.384 1.00 0.00 H new ATOM 859 N LEU A 51 -10.035 -27.728 -6.997 1.00 0.00 N ATOM 860 CA LEU A 51 -11.062 -28.730 -7.399 1.00 0.00 C ATOM 861 C LEU A 51 -11.671 -28.358 -8.756 1.00 0.00 C ATOM 862 O LEU A 51 -12.740 -28.812 -9.113 1.00 0.00 O ATOM 863 CB LEU A 51 -12.115 -28.719 -6.275 1.00 0.00 C ATOM 864 CG LEU A 51 -12.641 -27.298 -6.005 1.00 0.00 C ATOM 865 CD1 LEU A 51 -13.469 -26.797 -7.193 1.00 0.00 C ATOM 866 CD2 LEU A 51 -13.536 -27.324 -4.765 1.00 0.00 C ATOM 0 H LEU A 51 -10.368 -26.766 -6.929 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.639 -29.727 -7.523 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.946 -29.369 -6.548 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.678 -29.125 -5.363 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.791 -26.633 -5.853 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -13.833 -25.791 -6.984 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -12.847 -26.780 -8.088 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -14.317 -27.463 -7.353 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -13.913 -26.320 -4.567 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -14.374 -27.999 -4.936 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -12.960 -27.671 -3.907 1.00 0.00 H new ATOM 878 N LEU A 52 -10.997 -27.536 -9.511 1.00 0.00 N ATOM 879 CA LEU A 52 -11.525 -27.132 -10.836 1.00 0.00 C ATOM 880 C LEU A 52 -10.712 -27.801 -11.951 1.00 0.00 C ATOM 881 O LEU A 52 -11.320 -28.405 -12.820 1.00 0.00 O ATOM 882 CB LEU A 52 -11.347 -25.613 -10.861 1.00 0.00 C ATOM 883 CG LEU A 52 -11.671 -25.086 -12.252 1.00 0.00 C ATOM 884 CD1 LEU A 52 -13.125 -25.407 -12.602 1.00 0.00 C ATOM 885 CD2 LEU A 52 -11.455 -23.572 -12.288 1.00 0.00 C ATOM 886 OXT LEU A 52 -9.497 -27.698 -11.916 1.00 0.00 O ATOM 0 H LEU A 52 -10.097 -27.126 -9.262 1.00 0.00 H new ATOM 0 HA LEU A 52 -12.563 -27.426 -10.992 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -12.000 -25.148 -10.123 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.324 -25.352 -10.591 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.015 -25.563 -12.980 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -13.352 -25.028 -13.598 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -13.274 -26.487 -12.582 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -13.787 -24.936 -11.875 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -11.687 -23.195 -13.284 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -12.108 -23.094 -11.558 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -10.416 -23.347 -12.048 1.00 0.00 H new TER 898 LEU A 52