USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 562 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -114:sc= 0.0205 (180deg=-0.0145) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc=-0.00796 X(o=-0.008,f=-0.096) USER MOD Single : A 28 SER OG : rot -36:sc= 0.427 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.678 X(o=-0.68,f=-0.68) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -87:sc= 1.1 USER MOD Single : A 48 MET CE :methyl -125:sc= 0 (180deg=-0.153) USER MOD Single : A 66 SER OG : rot -64:sc= 0.616 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.091 -11.347 24.723 1.00 0.00 N ATOM 2 CA MET A 1 -3.662 -12.327 23.740 1.00 0.00 C ATOM 3 C MET A 1 -4.475 -13.617 23.860 1.00 0.00 C ATOM 4 O MET A 1 -4.867 -14.008 24.958 1.00 0.00 O ATOM 5 CB MET A 1 -2.178 -12.639 23.944 1.00 0.00 C ATOM 6 CG MET A 1 -1.307 -11.446 23.542 1.00 0.00 C ATOM 7 SD MET A 1 0.182 -12.020 22.742 1.00 0.00 S ATOM 8 CE MET A 1 -0.432 -12.264 21.083 1.00 0.00 C ATOM 0 H1 MET A 1 -4.520 -10.533 24.238 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.791 -11.778 25.360 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.270 -11.027 25.276 1.00 0.00 H new ATOM 0 HA MET A 1 -3.822 -11.910 22.746 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.996 -12.891 24.989 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.901 -13.512 23.352 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.861 -10.791 22.870 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.052 -10.857 24.423 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.375 -12.624 20.446 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.238 -12.998 21.098 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.809 -11.319 20.692 1.00 0.00 H new ATOM 18 N SER A 2 -4.706 -14.243 22.715 1.00 0.00 N ATOM 19 CA SER A 2 -5.466 -15.480 22.678 1.00 0.00 C ATOM 20 C SER A 2 -5.373 -16.110 21.286 1.00 0.00 C ATOM 21 O SER A 2 -4.431 -15.842 20.541 1.00 0.00 O ATOM 22 CB SER A 2 -6.929 -15.240 23.055 1.00 0.00 C ATOM 23 OG SER A 2 -7.470 -16.320 23.811 1.00 0.00 O ATOM 0 H SER A 2 -4.380 -13.916 21.806 1.00 0.00 H new ATOM 0 HA SER A 2 -5.039 -16.165 23.410 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.008 -14.318 23.632 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.519 -15.101 22.149 1.00 0.00 H new ATOM 0 HG SER A 2 -8.405 -16.128 24.033 1.00 0.00 H new ATOM 29 N LEU A 3 -6.363 -16.935 20.978 1.00 0.00 N ATOM 30 CA LEU A 3 -6.404 -17.605 19.689 1.00 0.00 C ATOM 31 C LEU A 3 -7.370 -16.862 18.764 1.00 0.00 C ATOM 32 O LEU A 3 -7.056 -16.617 17.600 1.00 0.00 O ATOM 33 CB LEU A 3 -6.741 -19.087 19.867 1.00 0.00 C ATOM 34 CG LEU A 3 -5.565 -20.005 20.208 1.00 0.00 C ATOM 35 CD1 LEU A 3 -5.528 -20.315 21.705 1.00 0.00 C ATOM 36 CD2 LEU A 3 -5.600 -21.278 19.360 1.00 0.00 C ATOM 0 H LEU A 3 -7.142 -17.155 21.598 1.00 0.00 H new ATOM 0 HA LEU A 3 -5.423 -17.579 19.214 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.488 -19.177 20.656 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.203 -19.447 18.948 1.00 0.00 H new ATOM 0 HG LEU A 3 -4.641 -19.481 19.965 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -4.683 -20.969 21.920 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.421 -19.387 22.266 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -6.454 -20.811 21.997 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -4.754 -21.913 19.622 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.529 -21.816 19.549 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -5.542 -21.014 18.304 1.00 0.00 H new ATOM 48 N GLY A 4 -8.526 -16.524 19.316 1.00 0.00 N ATOM 49 CA GLY A 4 -9.540 -15.814 18.555 1.00 0.00 C ATOM 50 C GLY A 4 -9.030 -14.442 18.109 1.00 0.00 C ATOM 51 O GLY A 4 -9.104 -14.101 16.929 1.00 0.00 O ATOM 0 H GLY A 4 -8.783 -16.729 20.282 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.823 -16.402 17.682 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.437 -15.693 19.162 1.00 0.00 H new ATOM 55 N VAL A 5 -8.523 -13.692 19.076 1.00 0.00 N ATOM 56 CA VAL A 5 -8.001 -12.364 18.798 1.00 0.00 C ATOM 57 C VAL A 5 -6.922 -12.462 17.718 1.00 0.00 C ATOM 58 O VAL A 5 -6.723 -11.523 16.948 1.00 0.00 O ATOM 59 CB VAL A 5 -7.496 -11.719 20.091 1.00 0.00 C ATOM 60 CG1 VAL A 5 -6.206 -12.388 20.570 1.00 0.00 C ATOM 61 CG2 VAL A 5 -7.299 -10.213 19.911 1.00 0.00 C ATOM 0 H VAL A 5 -8.462 -13.978 20.053 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.789 -11.716 18.414 1.00 0.00 H new ATOM 0 HB VAL A 5 -8.255 -11.868 20.859 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.869 -11.911 21.490 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.392 -13.446 20.757 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -5.437 -12.285 19.805 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -6.940 -9.779 20.844 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -6.568 -10.033 19.122 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -8.248 -9.752 19.638 1.00 0.00 H new ATOM 71 N LEU A 6 -6.253 -13.606 17.696 1.00 0.00 N ATOM 72 CA LEU A 6 -5.200 -13.838 16.722 1.00 0.00 C ATOM 73 C LEU A 6 -5.798 -13.816 15.314 1.00 0.00 C ATOM 74 O LEU A 6 -5.315 -13.096 14.442 1.00 0.00 O ATOM 75 CB LEU A 6 -4.443 -15.126 17.049 1.00 0.00 C ATOM 76 CG LEU A 6 -3.122 -15.335 16.306 1.00 0.00 C ATOM 77 CD1 LEU A 6 -2.813 -16.825 16.144 1.00 0.00 C ATOM 78 CD2 LEU A 6 -3.125 -14.601 14.964 1.00 0.00 C ATOM 0 H LEU A 6 -6.420 -14.382 18.337 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.459 -13.040 16.765 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.241 -15.143 18.120 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.096 -15.972 16.834 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.321 -14.904 16.907 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.869 -16.945 15.613 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.738 -17.290 17.127 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.612 -17.303 15.577 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.174 -14.766 14.457 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.938 -14.979 14.344 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.265 -13.533 15.134 1.00 0.00 H new ATOM 90 N ALA A 7 -6.841 -14.614 15.137 1.00 0.00 N ATOM 91 CA ALA A 7 -7.511 -14.695 13.850 1.00 0.00 C ATOM 92 C ALA A 7 -7.913 -13.290 13.399 1.00 0.00 C ATOM 93 O ALA A 7 -7.947 -13.003 12.203 1.00 0.00 O ATOM 94 CB ALA A 7 -8.710 -15.639 13.957 1.00 0.00 C ATOM 0 H ALA A 7 -7.238 -15.210 15.863 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.841 -15.104 13.094 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.213 -15.700 12.992 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.367 -16.631 14.251 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -9.406 -15.260 14.705 1.00 0.00 H new ATOM 100 N ALA A 8 -8.208 -12.450 14.381 1.00 0.00 N ATOM 101 CA ALA A 8 -8.607 -11.081 14.100 1.00 0.00 C ATOM 102 C ALA A 8 -7.399 -10.299 13.582 1.00 0.00 C ATOM 103 O ALA A 8 -7.549 -9.374 12.784 1.00 0.00 O ATOM 104 CB ALA A 8 -9.210 -10.457 15.360 1.00 0.00 C ATOM 0 H ALA A 8 -8.179 -12.691 15.372 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.373 -11.055 13.325 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.509 -9.430 15.150 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.082 -11.033 15.670 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.469 -10.462 16.159 1.00 0.00 H new ATOM 110 N ALA A 9 -6.228 -10.698 14.056 1.00 0.00 N ATOM 111 CA ALA A 9 -4.995 -10.045 13.651 1.00 0.00 C ATOM 112 C ALA A 9 -4.672 -10.428 12.205 1.00 0.00 C ATOM 113 O ALA A 9 -4.071 -9.645 11.471 1.00 0.00 O ATOM 114 CB ALA A 9 -3.873 -10.426 14.619 1.00 0.00 C ATOM 0 H ALA A 9 -6.107 -11.465 14.717 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.104 -8.961 13.689 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.948 -9.936 14.315 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.138 -10.107 15.627 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.732 -11.507 14.606 1.00 0.00 H new ATOM 120 N ILE A 10 -5.086 -11.632 11.838 1.00 0.00 N ATOM 121 CA ILE A 10 -4.849 -12.128 10.494 1.00 0.00 C ATOM 122 C ILE A 10 -5.872 -11.510 9.539 1.00 0.00 C ATOM 123 O ILE A 10 -5.502 -10.912 8.529 1.00 0.00 O ATOM 124 CB ILE A 10 -4.841 -13.658 10.480 1.00 0.00 C ATOM 125 CG1 ILE A 10 -3.416 -14.201 10.607 1.00 0.00 C ATOM 126 CG2 ILE A 10 -5.552 -14.199 9.238 1.00 0.00 C ATOM 127 CD1 ILE A 10 -3.345 -15.316 11.652 1.00 0.00 C ATOM 0 H ILE A 10 -5.585 -12.279 12.449 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.862 -11.824 10.145 1.00 0.00 H new ATOM 0 HB ILE A 10 -5.398 -14.010 11.349 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.080 -14.580 9.642 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.739 -13.393 10.885 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.532 -15.289 9.253 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -6.586 -13.855 9.232 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -5.045 -13.839 8.343 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.321 -15.684 11.722 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.658 -14.927 12.621 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.005 -16.132 11.358 1.00 0.00 H new ATOM 139 N ALA A 11 -7.138 -11.675 9.891 1.00 0.00 N ATOM 140 CA ALA A 11 -8.217 -11.140 9.078 1.00 0.00 C ATOM 141 C ALA A 11 -8.012 -9.635 8.891 1.00 0.00 C ATOM 142 O ALA A 11 -8.520 -9.050 7.936 1.00 0.00 O ATOM 143 CB ALA A 11 -9.561 -11.468 9.732 1.00 0.00 C ATOM 0 H ALA A 11 -7.441 -12.172 10.729 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.215 -11.598 8.089 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.370 -11.067 9.122 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.671 -12.549 9.815 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.600 -11.022 10.726 1.00 0.00 H new ATOM 149 N VAL A 12 -7.266 -9.053 9.818 1.00 0.00 N ATOM 150 CA VAL A 12 -6.987 -7.628 9.768 1.00 0.00 C ATOM 151 C VAL A 12 -5.868 -7.367 8.758 1.00 0.00 C ATOM 152 O VAL A 12 -5.914 -6.389 8.013 1.00 0.00 O ATOM 153 CB VAL A 12 -6.660 -7.108 11.169 1.00 0.00 C ATOM 154 CG1 VAL A 12 -5.607 -6.000 11.112 1.00 0.00 C ATOM 155 CG2 VAL A 12 -7.925 -6.626 11.884 1.00 0.00 C ATOM 0 H VAL A 12 -6.846 -9.542 10.608 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.866 -7.079 9.430 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.244 -7.935 11.744 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.393 -5.649 12.122 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.693 -6.389 10.662 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.983 -5.172 10.511 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.665 -6.261 12.878 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.383 -5.820 11.310 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.630 -7.453 11.974 1.00 0.00 H new ATOM 165 N GLY A 13 -4.888 -8.259 8.765 1.00 0.00 N ATOM 166 CA GLY A 13 -3.759 -8.137 7.858 1.00 0.00 C ATOM 167 C GLY A 13 -4.187 -8.392 6.412 1.00 0.00 C ATOM 168 O GLY A 13 -3.617 -7.823 5.482 1.00 0.00 O ATOM 0 H GLY A 13 -4.852 -9.069 9.384 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.326 -7.140 7.942 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.982 -8.847 8.142 1.00 0.00 H new ATOM 172 N LEU A 14 -5.187 -9.249 6.267 1.00 0.00 N ATOM 173 CA LEU A 14 -5.698 -9.587 4.949 1.00 0.00 C ATOM 174 C LEU A 14 -6.547 -8.427 4.423 1.00 0.00 C ATOM 175 O LEU A 14 -6.471 -8.083 3.245 1.00 0.00 O ATOM 176 CB LEU A 14 -6.441 -10.924 4.989 1.00 0.00 C ATOM 177 CG LEU A 14 -7.583 -11.087 3.984 1.00 0.00 C ATOM 178 CD1 LEU A 14 -7.070 -10.976 2.547 1.00 0.00 C ATOM 179 CD2 LEU A 14 -8.341 -12.394 4.223 1.00 0.00 C ATOM 0 H LEU A 14 -5.657 -9.720 7.040 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.877 -9.726 4.246 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.719 -11.723 4.821 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.844 -11.063 5.992 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.291 -10.272 4.136 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.902 -11.096 1.853 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.612 -9.998 2.399 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.330 -11.755 2.364 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.147 -12.485 3.495 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.657 -13.236 4.115 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.759 -12.393 5.230 1.00 0.00 H new ATOM 191 N GLY A 15 -7.335 -7.858 5.323 1.00 0.00 N ATOM 192 CA GLY A 15 -8.197 -6.744 4.964 1.00 0.00 C ATOM 193 C GLY A 15 -7.378 -5.478 4.706 1.00 0.00 C ATOM 194 O GLY A 15 -7.632 -4.755 3.744 1.00 0.00 O ATOM 0 H GLY A 15 -7.395 -8.147 6.299 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.772 -6.997 4.073 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.913 -6.561 5.765 1.00 0.00 H new ATOM 198 N ALA A 16 -6.412 -5.248 5.583 1.00 0.00 N ATOM 199 CA ALA A 16 -5.554 -4.081 5.463 1.00 0.00 C ATOM 200 C ALA A 16 -4.604 -4.272 4.278 1.00 0.00 C ATOM 201 O ALA A 16 -4.025 -3.308 3.781 1.00 0.00 O ATOM 202 CB ALA A 16 -4.806 -3.859 6.779 1.00 0.00 C ATOM 0 H ALA A 16 -6.204 -5.850 6.380 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.147 -3.187 5.270 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.163 -2.984 6.689 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.524 -3.700 7.583 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.197 -4.735 7.004 1.00 0.00 H new ATOM 208 N LEU A 17 -4.474 -5.523 3.861 1.00 0.00 N ATOM 209 CA LEU A 17 -3.605 -5.852 2.744 1.00 0.00 C ATOM 210 C LEU A 17 -4.213 -5.306 1.451 1.00 0.00 C ATOM 211 O LEU A 17 -3.590 -4.504 0.758 1.00 0.00 O ATOM 212 CB LEU A 17 -3.328 -7.357 2.706 1.00 0.00 C ATOM 213 CG LEU A 17 -2.954 -7.935 1.340 1.00 0.00 C ATOM 214 CD1 LEU A 17 -1.602 -8.649 1.399 1.00 0.00 C ATOM 215 CD2 LEU A 17 -4.061 -8.848 0.809 1.00 0.00 C ATOM 0 H LEU A 17 -4.956 -6.320 4.276 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.633 -5.375 2.865 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.520 -7.576 3.404 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.213 -7.879 3.069 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.852 -7.109 0.636 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.359 -9.051 0.415 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.830 -7.942 1.703 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.652 -9.464 2.121 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.770 -9.246 -0.163 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.219 -9.672 1.505 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.984 -8.278 0.706 1.00 0.00 H new ATOM 227 N GLY A 18 -5.424 -5.762 1.166 1.00 0.00 N ATOM 228 CA GLY A 18 -6.124 -5.329 -0.032 1.00 0.00 C ATOM 229 C GLY A 18 -6.655 -3.903 0.129 1.00 0.00 C ATOM 230 O GLY A 18 -6.845 -3.193 -0.857 1.00 0.00 O ATOM 0 H GLY A 18 -5.938 -6.427 1.744 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.451 -5.376 -0.888 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.951 -6.008 -0.240 1.00 0.00 H new ATOM 234 N ALA A 19 -6.879 -3.527 1.379 1.00 0.00 N ATOM 235 CA ALA A 19 -7.385 -2.199 1.682 1.00 0.00 C ATOM 236 C ALA A 19 -6.248 -1.183 1.551 1.00 0.00 C ATOM 237 O ALA A 19 -6.480 -0.029 1.193 1.00 0.00 O ATOM 238 CB ALA A 19 -8.012 -2.197 3.077 1.00 0.00 C ATOM 0 H ALA A 19 -6.719 -4.119 2.194 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.164 -1.914 0.975 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -8.391 -1.201 3.304 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.833 -2.914 3.108 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.259 -2.475 3.815 1.00 0.00 H new ATOM 244 N GLY A 20 -5.044 -1.649 1.849 1.00 0.00 N ATOM 245 CA GLY A 20 -3.871 -0.796 1.770 1.00 0.00 C ATOM 246 C GLY A 20 -3.563 -0.420 0.319 1.00 0.00 C ATOM 247 O GLY A 20 -3.472 0.761 -0.014 1.00 0.00 O ATOM 0 H GLY A 20 -4.856 -2.607 2.146 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.034 0.108 2.357 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.014 -1.309 2.206 1.00 0.00 H new ATOM 251 N ILE A 21 -3.411 -1.446 -0.505 1.00 0.00 N ATOM 252 CA ILE A 21 -3.116 -1.238 -1.912 1.00 0.00 C ATOM 253 C ILE A 21 -4.135 -0.263 -2.504 1.00 0.00 C ATOM 254 O ILE A 21 -3.827 0.468 -3.444 1.00 0.00 O ATOM 255 CB ILE A 21 -3.047 -2.578 -2.649 1.00 0.00 C ATOM 256 CG1 ILE A 21 -1.803 -2.652 -3.537 1.00 0.00 C ATOM 257 CG2 ILE A 21 -4.331 -2.836 -3.439 1.00 0.00 C ATOM 258 CD1 ILE A 21 -2.109 -2.156 -4.952 1.00 0.00 C ATOM 0 H ILE A 21 -3.487 -2.424 -0.225 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.133 -0.783 -2.031 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.961 -3.372 -1.907 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.005 -2.051 -3.102 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -1.442 -3.680 -3.578 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.256 -3.794 -3.953 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.180 -2.856 -2.756 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -4.473 -2.042 -4.172 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.208 -2.219 -5.562 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -2.890 -2.775 -5.393 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.447 -1.120 -4.909 1.00 0.00 H new ATOM 270 N GLY A 22 -5.329 -0.283 -1.929 1.00 0.00 N ATOM 271 CA GLY A 22 -6.395 0.591 -2.388 1.00 0.00 C ATOM 272 C GLY A 22 -6.142 2.037 -1.958 1.00 0.00 C ATOM 273 O GLY A 22 -6.515 2.973 -2.665 1.00 0.00 O ATOM 0 H GLY A 22 -5.581 -0.891 -1.150 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.471 0.539 -3.474 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.349 0.250 -1.985 1.00 0.00 H new ATOM 277 N ASN A 23 -5.511 2.175 -0.802 1.00 0.00 N ATOM 278 CA ASN A 23 -5.204 3.492 -0.270 1.00 0.00 C ATOM 279 C ASN A 23 -3.983 4.060 -0.996 1.00 0.00 C ATOM 280 O ASN A 23 -3.847 5.274 -1.133 1.00 0.00 O ATOM 281 CB ASN A 23 -4.874 3.419 1.223 1.00 0.00 C ATOM 282 CG ASN A 23 -5.409 4.647 1.963 1.00 0.00 C ATOM 283 OD1 ASN A 23 -6.596 4.926 1.979 1.00 0.00 O ATOM 284 ND2 ASN A 23 -4.468 5.363 2.573 1.00 0.00 N ATOM 0 H ASN A 23 -5.204 1.397 -0.218 1.00 0.00 H new ATOM 0 HA ASN A 23 -6.078 4.127 -0.417 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -5.307 2.515 1.651 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.795 3.350 1.358 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -4.723 6.202 3.094 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -3.492 5.073 2.520 1.00 0.00 H new ATOM 291 N GLY A 24 -3.127 3.153 -1.444 1.00 0.00 N ATOM 292 CA GLY A 24 -1.922 3.548 -2.154 1.00 0.00 C ATOM 293 C GLY A 24 -2.251 4.024 -3.570 1.00 0.00 C ATOM 294 O GLY A 24 -1.699 5.018 -4.039 1.00 0.00 O ATOM 0 H GLY A 24 -3.244 2.146 -1.329 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.418 4.345 -1.607 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.231 2.706 -2.201 1.00 0.00 H new ATOM 298 N LEU A 25 -3.148 3.290 -4.213 1.00 0.00 N ATOM 299 CA LEU A 25 -3.557 3.625 -5.566 1.00 0.00 C ATOM 300 C LEU A 25 -4.340 4.939 -5.548 1.00 0.00 C ATOM 301 O LEU A 25 -4.249 5.733 -6.484 1.00 0.00 O ATOM 302 CB LEU A 25 -4.325 2.461 -6.197 1.00 0.00 C ATOM 303 CG LEU A 25 -5.561 1.981 -5.434 1.00 0.00 C ATOM 304 CD1 LEU A 25 -6.751 2.912 -5.677 1.00 0.00 C ATOM 305 CD2 LEU A 25 -5.891 0.528 -5.782 1.00 0.00 C ATOM 0 H LEU A 25 -3.603 2.465 -3.822 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.684 3.783 -6.199 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.634 2.756 -7.200 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.642 1.619 -6.309 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.338 2.014 -4.368 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.617 2.548 -5.123 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.501 3.918 -5.340 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.984 2.934 -6.742 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.774 0.212 -5.226 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.087 0.445 -6.851 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.048 -0.110 -5.517 1.00 0.00 H new ATOM 317 N ILE A 26 -5.091 5.129 -4.474 1.00 0.00 N ATOM 318 CA ILE A 26 -5.889 6.334 -4.322 1.00 0.00 C ATOM 319 C ILE A 26 -4.964 7.552 -4.291 1.00 0.00 C ATOM 320 O ILE A 26 -5.259 8.575 -4.907 1.00 0.00 O ATOM 321 CB ILE A 26 -6.800 6.222 -3.097 1.00 0.00 C ATOM 322 CG1 ILE A 26 -8.183 5.699 -3.489 1.00 0.00 C ATOM 323 CG2 ILE A 26 -6.881 7.555 -2.351 1.00 0.00 C ATOM 324 CD1 ILE A 26 -8.849 6.622 -4.512 1.00 0.00 C ATOM 0 H ILE A 26 -5.164 4.469 -3.700 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.555 6.461 -5.176 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.364 5.496 -2.411 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.092 4.695 -3.905 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.811 5.621 -2.602 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.534 7.448 -1.485 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.885 7.848 -2.020 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.282 8.320 -3.016 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.831 6.227 -4.773 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -8.961 7.618 -4.084 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -8.230 6.679 -5.408 1.00 0.00 H new ATOM 336 N VAL A 27 -3.864 7.402 -3.568 1.00 0.00 N ATOM 337 CA VAL A 27 -2.894 8.477 -3.450 1.00 0.00 C ATOM 338 C VAL A 27 -2.144 8.630 -4.774 1.00 0.00 C ATOM 339 O VAL A 27 -2.008 9.738 -5.290 1.00 0.00 O ATOM 340 CB VAL A 27 -1.965 8.215 -2.263 1.00 0.00 C ATOM 341 CG1 VAL A 27 -0.800 9.208 -2.249 1.00 0.00 C ATOM 342 CG2 VAL A 27 -2.737 8.257 -0.942 1.00 0.00 C ATOM 0 H VAL A 27 -3.623 6.552 -3.058 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.396 9.424 -3.250 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.551 7.213 -2.377 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.155 9.000 -1.395 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.226 9.109 -3.170 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.188 10.223 -2.171 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.053 8.068 -0.115 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.193 9.239 -0.818 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.515 7.494 -0.951 1.00 0.00 H new ATOM 352 N SER A 28 -1.676 7.501 -5.286 1.00 0.00 N ATOM 353 CA SER A 28 -0.943 7.496 -6.541 1.00 0.00 C ATOM 354 C SER A 28 -1.777 8.160 -7.638 1.00 0.00 C ATOM 355 O SER A 28 -1.229 8.724 -8.583 1.00 0.00 O ATOM 356 CB SER A 28 -0.564 6.071 -6.951 1.00 0.00 C ATOM 357 OG SER A 28 -1.651 5.386 -7.567 1.00 0.00 O ATOM 0 H SER A 28 -1.790 6.584 -4.855 1.00 0.00 H new ATOM 0 HA SER A 28 -0.022 8.063 -6.401 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.280 6.104 -7.639 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.237 5.516 -6.072 1.00 0.00 H new ATOM 0 HG SER A 28 -2.490 5.645 -7.132 1.00 0.00 H new ATOM 363 N ARG A 29 -3.089 8.070 -7.475 1.00 0.00 N ATOM 364 CA ARG A 29 -4.004 8.655 -8.440 1.00 0.00 C ATOM 365 C ARG A 29 -3.993 10.181 -8.325 1.00 0.00 C ATOM 366 O ARG A 29 -3.963 10.883 -9.334 1.00 0.00 O ATOM 367 CB ARG A 29 -5.431 8.145 -8.225 1.00 0.00 C ATOM 368 CG ARG A 29 -6.296 8.401 -9.461 1.00 0.00 C ATOM 369 CD ARG A 29 -6.939 9.788 -9.402 1.00 0.00 C ATOM 370 NE ARG A 29 -8.404 9.675 -9.577 1.00 0.00 N ATOM 371 CZ ARG A 29 -9.242 10.721 -9.588 1.00 0.00 C ATOM 372 NH1 ARG A 29 -8.765 11.963 -9.435 1.00 0.00 N ATOM 373 NH2 ARG A 29 -10.557 10.524 -9.752 1.00 0.00 N ATOM 0 H ARG A 29 -3.540 7.601 -6.689 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.670 8.360 -9.435 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.410 7.077 -8.006 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.871 8.640 -7.359 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.686 8.317 -10.360 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.072 7.639 -9.530 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.714 10.262 -8.446 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.520 10.426 -10.180 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.801 8.743 -9.697 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.764 12.113 -9.310 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.403 12.759 -9.443 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.920 9.578 -9.868 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -11.195 11.320 -9.760 1.00 0.00 H new ATOM 387 N THR A 30 -4.018 10.649 -7.085 1.00 0.00 N ATOM 388 CA THR A 30 -4.011 12.078 -6.825 1.00 0.00 C ATOM 389 C THR A 30 -2.646 12.677 -7.171 1.00 0.00 C ATOM 390 O THR A 30 -2.556 13.839 -7.563 1.00 0.00 O ATOM 391 CB THR A 30 -4.418 12.295 -5.366 1.00 0.00 C ATOM 392 OG1 THR A 30 -5.126 13.532 -5.383 1.00 0.00 O ATOM 393 CG2 THR A 30 -3.217 12.566 -4.458 1.00 0.00 C ATOM 0 H THR A 30 -4.043 10.064 -6.250 1.00 0.00 H new ATOM 0 HA THR A 30 -4.729 12.599 -7.459 1.00 0.00 H new ATOM 0 HB THR A 30 -4.956 11.418 -5.005 1.00 0.00 H new ATOM 0 HG1 THR A 30 -5.428 13.749 -4.476 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.561 12.713 -3.434 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.535 11.716 -4.493 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.698 13.462 -4.799 1.00 0.00 H new ATOM 401 N ILE A 31 -1.619 11.856 -7.013 1.00 0.00 N ATOM 402 CA ILE A 31 -0.263 12.289 -7.304 1.00 0.00 C ATOM 403 C ILE A 31 -0.093 12.439 -8.817 1.00 0.00 C ATOM 404 O ILE A 31 0.580 13.358 -9.282 1.00 0.00 O ATOM 405 CB ILE A 31 0.752 11.341 -6.662 1.00 0.00 C ATOM 406 CG1 ILE A 31 1.834 12.121 -5.912 1.00 0.00 C ATOM 407 CG2 ILE A 31 1.348 10.390 -7.703 1.00 0.00 C ATOM 408 CD1 ILE A 31 1.672 11.967 -4.399 1.00 0.00 C ATOM 0 H ILE A 31 -1.698 10.893 -6.687 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.073 13.268 -6.863 1.00 0.00 H new ATOM 0 HB ILE A 31 0.230 10.728 -5.927 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.819 11.765 -6.214 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.780 13.176 -6.182 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.066 9.727 -7.221 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.551 9.797 -8.152 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.851 10.968 -8.478 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.454 12.531 -3.890 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.696 12.346 -4.097 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.751 10.914 -4.130 1.00 0.00 H new ATOM 420 N GLU A 32 -0.716 11.523 -9.544 1.00 0.00 N ATOM 421 CA GLU A 32 -0.642 11.542 -10.995 1.00 0.00 C ATOM 422 C GLU A 32 -1.427 12.732 -11.551 1.00 0.00 C ATOM 423 O GLU A 32 -1.117 13.236 -12.629 1.00 0.00 O ATOM 424 CB GLU A 32 -1.150 10.226 -11.587 1.00 0.00 C ATOM 425 CG GLU A 32 -0.013 9.210 -11.720 1.00 0.00 C ATOM 426 CD GLU A 32 -0.326 8.177 -12.804 1.00 0.00 C ATOM 427 OE1 GLU A 32 -0.669 8.615 -13.923 1.00 0.00 O ATOM 428 OE2 GLU A 32 -0.214 6.972 -12.489 1.00 0.00 O ATOM 0 H GLU A 32 -1.274 10.763 -9.155 1.00 0.00 H new ATOM 0 HA GLU A 32 0.403 11.654 -11.285 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.936 9.817 -10.952 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.594 10.410 -12.565 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.915 9.727 -11.963 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.143 8.706 -10.766 1.00 0.00 H new ATOM 435 N GLY A 33 -2.429 13.147 -10.789 1.00 0.00 N ATOM 436 CA GLY A 33 -3.260 14.268 -11.192 1.00 0.00 C ATOM 437 C GLY A 33 -2.462 15.573 -11.186 1.00 0.00 C ATOM 438 O GLY A 33 -2.498 16.332 -12.153 1.00 0.00 O ATOM 0 H GLY A 33 -2.684 12.727 -9.895 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.661 14.088 -12.189 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.111 14.355 -10.517 1.00 0.00 H new ATOM 442 N ILE A 34 -1.759 15.794 -10.084 1.00 0.00 N ATOM 443 CA ILE A 34 -0.953 16.994 -9.939 1.00 0.00 C ATOM 444 C ILE A 34 0.211 16.945 -10.931 1.00 0.00 C ATOM 445 O ILE A 34 0.663 17.981 -11.415 1.00 0.00 O ATOM 446 CB ILE A 34 -0.514 17.173 -8.484 1.00 0.00 C ATOM 447 CG1 ILE A 34 0.607 16.195 -8.126 1.00 0.00 C ATOM 448 CG2 ILE A 34 -1.707 17.051 -7.533 1.00 0.00 C ATOM 449 CD1 ILE A 34 1.910 16.939 -7.829 1.00 0.00 C ATOM 0 H ILE A 34 -1.731 15.162 -9.284 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.542 17.879 -10.181 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.112 18.180 -8.369 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.315 15.604 -7.258 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.762 15.497 -8.949 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.368 17.182 -6.505 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.443 17.818 -7.773 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.160 16.066 -7.643 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.690 16.220 -7.577 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.212 17.509 -8.707 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.758 17.618 -6.990 1.00 0.00 H new ATOM 461 N ALA A 35 0.663 15.729 -11.203 1.00 0.00 N ATOM 462 CA ALA A 35 1.766 15.531 -12.128 1.00 0.00 C ATOM 463 C ALA A 35 1.326 15.942 -13.535 1.00 0.00 C ATOM 464 O ALA A 35 2.153 16.058 -14.438 1.00 0.00 O ATOM 465 CB ALA A 35 2.229 14.074 -12.065 1.00 0.00 C ATOM 0 H ALA A 35 0.286 14.872 -10.799 1.00 0.00 H new ATOM 0 HA ALA A 35 2.615 16.156 -11.852 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.056 13.925 -12.759 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.558 13.840 -11.052 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.403 13.418 -12.339 1.00 0.00 H new ATOM 471 N ARG A 36 0.025 16.151 -13.676 1.00 0.00 N ATOM 472 CA ARG A 36 -0.534 16.547 -14.958 1.00 0.00 C ATOM 473 C ARG A 36 0.070 17.877 -15.412 1.00 0.00 C ATOM 474 O ARG A 36 0.464 18.021 -16.568 1.00 0.00 O ATOM 475 CB ARG A 36 -2.055 16.687 -14.875 1.00 0.00 C ATOM 476 CG ARG A 36 -2.718 15.331 -14.626 1.00 0.00 C ATOM 477 CD ARG A 36 -4.221 15.490 -14.387 1.00 0.00 C ATOM 478 NE ARG A 36 -4.901 14.186 -14.549 1.00 0.00 N ATOM 479 CZ ARG A 36 -6.231 14.030 -14.580 1.00 0.00 C ATOM 480 NH1 ARG A 36 -7.033 15.097 -14.462 1.00 0.00 N ATOM 481 NH2 ARG A 36 -6.760 12.808 -14.730 1.00 0.00 N ATOM 0 H ARG A 36 -0.658 16.054 -12.924 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.291 15.768 -15.681 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.317 17.377 -14.073 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.435 17.117 -15.802 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.550 14.677 -15.482 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.258 14.850 -13.763 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.399 15.880 -13.385 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.634 16.214 -15.089 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.320 13.353 -14.643 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.631 16.027 -14.349 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.046 14.979 -14.486 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.150 11.996 -14.821 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.773 12.690 -14.753 1.00 0.00 H new ATOM 495 N GLN A 37 0.123 18.816 -14.479 1.00 0.00 N ATOM 496 CA GLN A 37 0.672 20.130 -14.769 1.00 0.00 C ATOM 497 C GLN A 37 1.917 20.002 -15.649 1.00 0.00 C ATOM 498 O GLN A 37 2.512 18.930 -15.736 1.00 0.00 O ATOM 499 CB GLN A 37 0.988 20.889 -13.479 1.00 0.00 C ATOM 500 CG GLN A 37 -0.193 21.765 -13.054 1.00 0.00 C ATOM 501 CD GLN A 37 -0.121 22.096 -11.562 1.00 0.00 C ATOM 502 OE1 GLN A 37 -0.475 21.303 -10.706 1.00 0.00 O ATOM 503 NE2 GLN A 37 0.356 23.310 -11.300 1.00 0.00 N ATOM 0 H GLN A 37 -0.205 18.693 -13.521 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.077 20.703 -15.314 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.224 20.181 -12.685 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.872 21.510 -13.626 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -0.194 22.687 -13.635 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.129 21.250 -13.271 1.00 0.00 H new ATOM 0 HE21 GLN A 37 0.635 23.925 -12.065 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.443 23.626 -10.334 1.00 0.00 H new ATOM 512 N PRO A 38 2.282 21.141 -16.296 1.00 0.00 N ATOM 513 CA PRO A 38 3.445 21.167 -17.166 1.00 0.00 C ATOM 514 C PRO A 38 4.740 21.174 -16.351 1.00 0.00 C ATOM 515 O PRO A 38 5.610 20.328 -16.554 1.00 0.00 O ATOM 516 CB PRO A 38 3.273 22.415 -18.017 1.00 0.00 C ATOM 517 CG PRO A 38 2.269 23.286 -17.280 1.00 0.00 C ATOM 518 CD PRO A 38 1.600 22.430 -16.217 1.00 0.00 C ATOM 0 HA PRO A 38 3.519 20.279 -17.794 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.222 22.935 -18.144 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.913 22.161 -19.014 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.768 24.141 -16.823 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.527 23.683 -17.973 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.705 22.874 -15.227 1.00 0.00 H new ATOM 0 HD3 PRO A 38 0.532 22.325 -16.407 1.00 0.00 H new ATOM 526 N GLU A 39 4.827 22.137 -15.446 1.00 0.00 N ATOM 527 CA GLU A 39 6.001 22.265 -14.599 1.00 0.00 C ATOM 528 C GLU A 39 6.177 21.008 -13.744 1.00 0.00 C ATOM 529 O GLU A 39 7.238 20.796 -13.159 1.00 0.00 O ATOM 530 CB GLU A 39 5.911 23.516 -13.723 1.00 0.00 C ATOM 531 CG GLU A 39 7.287 23.903 -13.178 1.00 0.00 C ATOM 532 CD GLU A 39 7.318 23.812 -11.651 1.00 0.00 C ATOM 533 OE1 GLU A 39 7.012 22.713 -11.142 1.00 0.00 O ATOM 534 OE2 GLU A 39 7.647 24.845 -11.027 1.00 0.00 O ATOM 0 H GLU A 39 4.103 22.837 -15.280 1.00 0.00 H new ATOM 0 HA GLU A 39 6.877 22.372 -15.238 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.500 24.342 -14.303 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.225 23.336 -12.895 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.047 23.246 -13.600 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.533 24.918 -13.490 1.00 0.00 H new ATOM 541 N LEU A 40 5.122 20.209 -13.699 1.00 0.00 N ATOM 542 CA LEU A 40 5.147 18.979 -12.925 1.00 0.00 C ATOM 543 C LEU A 40 5.465 17.804 -13.852 1.00 0.00 C ATOM 544 O LEU A 40 4.980 16.694 -13.642 1.00 0.00 O ATOM 545 CB LEU A 40 3.843 18.811 -12.144 1.00 0.00 C ATOM 546 CG LEU A 40 3.681 19.699 -10.909 1.00 0.00 C ATOM 547 CD1 LEU A 40 3.157 21.084 -11.295 1.00 0.00 C ATOM 548 CD2 LEU A 40 2.797 19.024 -9.859 1.00 0.00 C ATOM 0 H LEU A 40 4.244 20.389 -14.186 1.00 0.00 H new ATOM 0 HA LEU A 40 5.938 19.017 -12.176 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.010 19.007 -12.820 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.762 17.770 -11.832 1.00 0.00 H new ATOM 0 HG LEU A 40 4.664 19.840 -10.459 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.051 21.696 -10.399 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.859 21.561 -11.979 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.187 20.983 -11.783 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.699 19.677 -8.992 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.811 18.832 -10.282 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.250 18.081 -9.553 1.00 0.00 H new ATOM 560 N ARG A 41 6.277 18.090 -14.859 1.00 0.00 N ATOM 561 CA ARG A 41 6.665 17.071 -15.820 1.00 0.00 C ATOM 562 C ARG A 41 7.440 15.951 -15.122 1.00 0.00 C ATOM 563 O ARG A 41 7.241 14.774 -15.420 1.00 0.00 O ATOM 564 CB ARG A 41 7.532 17.664 -16.933 1.00 0.00 C ATOM 565 CG ARG A 41 8.355 16.576 -17.625 1.00 0.00 C ATOM 566 CD ARG A 41 7.456 15.444 -18.127 1.00 0.00 C ATOM 567 NE ARG A 41 7.191 15.613 -19.574 1.00 0.00 N ATOM 568 CZ ARG A 41 6.675 14.657 -20.359 1.00 0.00 C ATOM 569 NH1 ARG A 41 6.367 13.460 -19.843 1.00 0.00 N ATOM 570 NH2 ARG A 41 6.469 14.899 -21.661 1.00 0.00 N ATOM 0 H ARG A 41 6.677 19.013 -15.030 1.00 0.00 H new ATOM 0 HA ARG A 41 5.754 16.668 -16.261 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.898 18.166 -17.664 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.198 18.419 -16.517 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.904 17.007 -18.462 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.094 16.177 -16.930 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.934 14.481 -17.946 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.516 15.442 -17.574 1.00 0.00 H new ATOM 0 HE ARG A 41 7.415 16.512 -20.000 1.00 0.00 H new ATOM 0 HH11 ARG A 41 6.525 13.276 -18.852 1.00 0.00 H new ATOM 0 HH12 ARG A 41 5.974 12.733 -20.441 1.00 0.00 H new ATOM 0 HH21 ARG A 41 6.705 15.810 -22.054 1.00 0.00 H new ATOM 0 HH22 ARG A 41 6.076 14.172 -22.259 1.00 0.00 H new ATOM 584 N PRO A 42 8.330 16.367 -14.182 1.00 0.00 N ATOM 585 CA PRO A 42 9.136 15.413 -13.439 1.00 0.00 C ATOM 586 C PRO A 42 8.298 14.697 -12.378 1.00 0.00 C ATOM 587 O PRO A 42 8.682 13.635 -11.891 1.00 0.00 O ATOM 588 CB PRO A 42 10.270 16.233 -12.847 1.00 0.00 C ATOM 589 CG PRO A 42 9.806 17.679 -12.890 1.00 0.00 C ATOM 590 CD PRO A 42 8.593 17.752 -13.803 1.00 0.00 C ATOM 0 HA PRO A 42 9.527 14.613 -14.067 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.484 15.922 -11.825 1.00 0.00 H new ATOM 0 HB3 PRO A 42 11.188 16.100 -13.420 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.552 18.028 -11.889 1.00 0.00 H new ATOM 0 HG3 PRO A 42 10.602 18.325 -13.261 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.737 18.191 -13.290 1.00 0.00 H new ATOM 0 HD3 PRO A 42 8.793 18.371 -14.678 1.00 0.00 H new ATOM 598 N VAL A 43 7.168 15.307 -12.051 1.00 0.00 N ATOM 599 CA VAL A 43 6.273 14.741 -11.056 1.00 0.00 C ATOM 600 C VAL A 43 5.788 13.371 -11.534 1.00 0.00 C ATOM 601 O VAL A 43 5.481 12.499 -10.722 1.00 0.00 O ATOM 602 CB VAL A 43 5.127 15.714 -10.770 1.00 0.00 C ATOM 603 CG1 VAL A 43 4.152 15.126 -9.748 1.00 0.00 C ATOM 604 CG2 VAL A 43 5.663 17.068 -10.300 1.00 0.00 C ATOM 0 H VAL A 43 6.852 16.187 -12.457 1.00 0.00 H new ATOM 0 HA VAL A 43 6.797 14.590 -10.112 1.00 0.00 H new ATOM 0 HB VAL A 43 4.582 15.874 -11.700 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.347 15.837 -9.562 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.734 14.198 -10.137 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.680 14.924 -8.816 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.829 17.741 -10.104 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.243 16.933 -9.387 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.300 17.496 -11.074 1.00 0.00 H new ATOM 614 N LEU A 44 5.733 13.223 -12.850 1.00 0.00 N ATOM 615 CA LEU A 44 5.291 11.974 -13.445 1.00 0.00 C ATOM 616 C LEU A 44 6.107 10.819 -12.862 1.00 0.00 C ATOM 617 O LEU A 44 5.549 9.796 -12.468 1.00 0.00 O ATOM 618 CB LEU A 44 5.347 12.059 -14.972 1.00 0.00 C ATOM 619 CG LEU A 44 4.214 11.359 -15.725 1.00 0.00 C ATOM 620 CD1 LEU A 44 4.299 9.841 -15.557 1.00 0.00 C ATOM 621 CD2 LEU A 44 2.851 11.908 -15.297 1.00 0.00 C ATOM 0 H LEU A 44 5.987 13.948 -13.521 1.00 0.00 H new ATOM 0 HA LEU A 44 4.247 11.782 -13.198 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.351 13.111 -15.258 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.294 11.635 -15.305 1.00 0.00 H new ATOM 0 HG LEU A 44 4.328 11.571 -16.788 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.482 9.368 -16.102 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.251 9.484 -15.949 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.224 9.587 -14.500 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.063 11.394 -15.847 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.713 11.746 -14.228 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.805 12.976 -15.511 1.00 0.00 H new ATOM 633 N GLN A 45 7.416 11.021 -12.827 1.00 0.00 N ATOM 634 CA GLN A 45 8.315 10.009 -12.299 1.00 0.00 C ATOM 635 C GLN A 45 8.052 9.790 -10.807 1.00 0.00 C ATOM 636 O GLN A 45 8.181 8.674 -10.307 1.00 0.00 O ATOM 637 CB GLN A 45 9.776 10.389 -12.547 1.00 0.00 C ATOM 638 CG GLN A 45 10.716 9.253 -12.139 1.00 0.00 C ATOM 639 CD GLN A 45 12.168 9.595 -12.477 1.00 0.00 C ATOM 640 OE1 GLN A 45 12.523 10.736 -12.724 1.00 0.00 O ATOM 641 NE2 GLN A 45 12.986 8.546 -12.475 1.00 0.00 N ATOM 0 H GLN A 45 7.875 11.870 -13.156 1.00 0.00 H new ATOM 0 HA GLN A 45 8.123 9.073 -12.823 1.00 0.00 H new ATOM 0 HB2 GLN A 45 9.920 10.624 -13.602 1.00 0.00 H new ATOM 0 HB3 GLN A 45 10.022 11.289 -11.984 1.00 0.00 H new ATOM 0 HG2 GLN A 45 10.622 9.065 -11.069 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.426 8.335 -12.650 1.00 0.00 H new ATOM 0 HE21 GLN A 45 12.624 7.617 -12.259 1.00 0.00 H new ATOM 0 HE22 GLN A 45 13.976 8.670 -12.689 1.00 0.00 H new ATOM 650 N THR A 46 7.687 10.875 -10.139 1.00 0.00 N ATOM 651 CA THR A 46 7.404 10.816 -8.715 1.00 0.00 C ATOM 652 C THR A 46 6.199 9.913 -8.447 1.00 0.00 C ATOM 653 O THR A 46 6.125 9.261 -7.407 1.00 0.00 O ATOM 654 CB THR A 46 7.214 12.248 -8.211 1.00 0.00 C ATOM 655 OG1 THR A 46 8.252 12.418 -7.249 1.00 0.00 O ATOM 656 CG2 THR A 46 5.926 12.418 -7.403 1.00 0.00 C ATOM 0 H THR A 46 7.581 11.799 -10.557 1.00 0.00 H new ATOM 0 HA THR A 46 8.233 10.370 -8.166 1.00 0.00 H new ATOM 0 HB THR A 46 7.204 12.933 -9.059 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.204 13.321 -6.872 1.00 0.00 H new ATOM 0 HG21 THR A 46 5.840 13.452 -7.069 1.00 0.00 H new ATOM 0 HG22 THR A 46 5.069 12.166 -8.027 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.950 11.758 -6.536 1.00 0.00 H new ATOM 664 N THR A 47 5.283 9.904 -9.405 1.00 0.00 N ATOM 665 CA THR A 47 4.084 9.091 -9.285 1.00 0.00 C ATOM 666 C THR A 47 4.395 7.629 -9.612 1.00 0.00 C ATOM 667 O THR A 47 3.783 6.721 -9.054 1.00 0.00 O ATOM 668 CB THR A 47 3.009 9.700 -10.188 1.00 0.00 C ATOM 669 OG1 THR A 47 3.286 9.154 -11.475 1.00 0.00 O ATOM 670 CG2 THR A 47 3.187 11.208 -10.377 1.00 0.00 C ATOM 0 H THR A 47 5.347 10.446 -10.267 1.00 0.00 H new ATOM 0 HA THR A 47 3.708 9.089 -8.262 1.00 0.00 H new ATOM 0 HB THR A 47 2.025 9.501 -9.764 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.942 9.718 -11.935 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.398 11.589 -11.026 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.132 11.705 -9.408 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.158 11.406 -10.832 1.00 0.00 H new ATOM 678 N MET A 48 5.348 7.448 -10.515 1.00 0.00 N ATOM 679 CA MET A 48 5.748 6.112 -10.923 1.00 0.00 C ATOM 680 C MET A 48 6.370 5.346 -9.754 1.00 0.00 C ATOM 681 O MET A 48 6.107 4.158 -9.576 1.00 0.00 O ATOM 682 CB MET A 48 6.760 6.209 -12.066 1.00 0.00 C ATOM 683 CG MET A 48 6.073 6.037 -13.422 1.00 0.00 C ATOM 684 SD MET A 48 7.256 6.268 -14.739 1.00 0.00 S ATOM 685 CE MET A 48 6.145 6.433 -16.127 1.00 0.00 C ATOM 0 H MET A 48 5.855 8.204 -10.975 1.00 0.00 H new ATOM 0 HA MET A 48 4.861 5.573 -11.256 1.00 0.00 H new ATOM 0 HB2 MET A 48 7.264 7.175 -12.029 1.00 0.00 H new ATOM 0 HB3 MET A 48 7.527 5.444 -11.943 1.00 0.00 H new ATOM 0 HG2 MET A 48 5.629 5.044 -13.491 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.261 6.757 -13.521 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.407 5.702 -16.892 1.00 0.00 H new ATOM 0 HE2 MET A 48 5.121 6.260 -15.796 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.228 7.438 -16.542 1.00 0.00 H new ATOM 695 N PHE A 49 7.184 6.057 -8.987 1.00 0.00 N ATOM 696 CA PHE A 49 7.845 5.459 -7.840 1.00 0.00 C ATOM 697 C PHE A 49 6.869 5.280 -6.676 1.00 0.00 C ATOM 698 O PHE A 49 6.987 4.331 -5.902 1.00 0.00 O ATOM 699 CB PHE A 49 8.958 6.419 -7.414 1.00 0.00 C ATOM 700 CG PHE A 49 10.245 5.722 -6.970 1.00 0.00 C ATOM 701 CD1 PHE A 49 10.260 4.988 -5.825 1.00 0.00 C ATOM 702 CD2 PHE A 49 11.374 5.836 -7.720 1.00 0.00 C ATOM 703 CE1 PHE A 49 11.455 4.341 -5.412 1.00 0.00 C ATOM 704 CE2 PHE A 49 12.569 5.188 -7.307 1.00 0.00 C ATOM 705 CZ PHE A 49 12.584 4.455 -6.162 1.00 0.00 C ATOM 0 H PHE A 49 7.401 7.042 -9.138 1.00 0.00 H new ATOM 0 HA PHE A 49 8.235 4.477 -8.106 1.00 0.00 H new ATOM 0 HB2 PHE A 49 9.186 7.086 -8.245 1.00 0.00 H new ATOM 0 HB3 PHE A 49 8.594 7.042 -6.597 1.00 0.00 H new ATOM 0 HD1 PHE A 49 9.363 4.897 -5.230 1.00 0.00 H new ATOM 0 HD2 PHE A 49 11.362 6.419 -8.629 1.00 0.00 H new ATOM 0 HE1 PHE A 49 11.467 3.759 -4.503 1.00 0.00 H new ATOM 0 HE2 PHE A 49 13.465 5.278 -7.903 1.00 0.00 H new ATOM 0 HZ PHE A 49 13.493 3.963 -5.848 1.00 0.00 H new ATOM 715 N ILE A 50 5.926 6.207 -6.588 1.00 0.00 N ATOM 716 CA ILE A 50 4.930 6.163 -5.531 1.00 0.00 C ATOM 717 C ILE A 50 3.978 4.992 -5.782 1.00 0.00 C ATOM 718 O ILE A 50 3.482 4.378 -4.838 1.00 0.00 O ATOM 719 CB ILE A 50 4.224 7.515 -5.405 1.00 0.00 C ATOM 720 CG1 ILE A 50 4.320 8.052 -3.976 1.00 0.00 C ATOM 721 CG2 ILE A 50 2.774 7.423 -5.886 1.00 0.00 C ATOM 722 CD1 ILE A 50 5.691 8.679 -3.717 1.00 0.00 C ATOM 0 H ILE A 50 5.831 6.993 -7.231 1.00 0.00 H new ATOM 0 HA ILE A 50 5.405 5.986 -4.566 1.00 0.00 H new ATOM 0 HB ILE A 50 4.734 8.228 -6.052 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.539 8.794 -3.809 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.147 7.242 -3.267 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.295 8.397 -5.786 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.756 7.116 -6.932 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.237 6.691 -5.283 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.733 9.053 -2.694 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.468 7.928 -3.861 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.851 9.504 -4.411 1.00 0.00 H new ATOM 734 N GLY A 51 3.751 4.718 -7.058 1.00 0.00 N ATOM 735 CA GLY A 51 2.867 3.632 -7.444 1.00 0.00 C ATOM 736 C GLY A 51 3.452 2.278 -7.038 1.00 0.00 C ATOM 737 O GLY A 51 2.785 1.482 -6.379 1.00 0.00 O ATOM 0 H GLY A 51 4.164 5.229 -7.838 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.893 3.767 -6.974 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.707 3.654 -8.522 1.00 0.00 H new ATOM 741 N VAL A 52 4.693 2.058 -7.449 1.00 0.00 N ATOM 742 CA VAL A 52 5.375 0.814 -7.136 1.00 0.00 C ATOM 743 C VAL A 52 5.358 0.595 -5.622 1.00 0.00 C ATOM 744 O VAL A 52 4.947 -0.464 -5.150 1.00 0.00 O ATOM 745 CB VAL A 52 6.789 0.832 -7.722 1.00 0.00 C ATOM 746 CG1 VAL A 52 7.459 -0.536 -7.578 1.00 0.00 C ATOM 747 CG2 VAL A 52 6.771 1.282 -9.185 1.00 0.00 C ATOM 0 H VAL A 52 5.243 2.720 -7.996 1.00 0.00 H new ATOM 0 HA VAL A 52 4.859 -0.031 -7.592 1.00 0.00 H new ATOM 0 HB VAL A 52 7.377 1.555 -7.156 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.462 -0.496 -8.002 1.00 0.00 H new ATOM 0 HG12 VAL A 52 7.521 -0.801 -6.523 1.00 0.00 H new ATOM 0 HG13 VAL A 52 6.871 -1.286 -8.107 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.788 1.286 -9.577 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.159 0.595 -9.770 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.353 2.286 -9.252 1.00 0.00 H new ATOM 757 N ALA A 53 5.810 1.612 -4.904 1.00 0.00 N ATOM 758 CA ALA A 53 5.852 1.544 -3.453 1.00 0.00 C ATOM 759 C ALA A 53 4.471 1.150 -2.925 1.00 0.00 C ATOM 760 O ALA A 53 4.363 0.450 -1.920 1.00 0.00 O ATOM 761 CB ALA A 53 6.331 2.884 -2.892 1.00 0.00 C ATOM 0 H ALA A 53 6.151 2.488 -5.300 1.00 0.00 H new ATOM 0 HA ALA A 53 6.560 0.783 -3.125 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.362 2.833 -1.804 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.328 3.103 -3.274 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.644 3.673 -3.198 1.00 0.00 H new ATOM 767 N LEU A 54 3.449 1.617 -3.628 1.00 0.00 N ATOM 768 CA LEU A 54 2.080 1.323 -3.242 1.00 0.00 C ATOM 769 C LEU A 54 1.812 -0.172 -3.429 1.00 0.00 C ATOM 770 O LEU A 54 0.990 -0.752 -2.721 1.00 0.00 O ATOM 771 CB LEU A 54 1.104 2.222 -4.004 1.00 0.00 C ATOM 772 CG LEU A 54 0.254 1.534 -5.075 1.00 0.00 C ATOM 773 CD1 LEU A 54 -0.936 0.806 -4.447 1.00 0.00 C ATOM 774 CD2 LEU A 54 -0.185 2.531 -6.149 1.00 0.00 C ATOM 0 H LEU A 54 3.542 2.197 -4.462 1.00 0.00 H new ATOM 0 HA LEU A 54 1.926 1.546 -2.186 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.434 2.691 -3.283 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.673 3.022 -4.478 1.00 0.00 H new ATOM 0 HG LEU A 54 0.868 0.780 -5.567 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.523 0.326 -5.230 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.574 0.050 -3.750 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.560 1.522 -3.913 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.787 2.017 -6.898 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.776 3.324 -5.690 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.695 2.963 -6.625 1.00 0.00 H new ATOM 786 N VAL A 55 2.521 -0.753 -4.385 1.00 0.00 N ATOM 787 CA VAL A 55 2.371 -2.169 -4.674 1.00 0.00 C ATOM 788 C VAL A 55 3.128 -2.983 -3.622 1.00 0.00 C ATOM 789 O VAL A 55 2.783 -4.133 -3.356 1.00 0.00 O ATOM 790 CB VAL A 55 2.831 -2.464 -6.103 1.00 0.00 C ATOM 791 CG1 VAL A 55 3.321 -3.907 -6.234 1.00 0.00 C ATOM 792 CG2 VAL A 55 1.716 -2.170 -7.109 1.00 0.00 C ATOM 0 H VAL A 55 3.202 -0.268 -4.970 1.00 0.00 H new ATOM 0 HA VAL A 55 1.322 -2.461 -4.618 1.00 0.00 H new ATOM 0 HB VAL A 55 3.669 -1.804 -6.329 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.642 -4.091 -7.259 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.159 -4.069 -5.557 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.511 -4.591 -5.980 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.069 -2.388 -8.117 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.850 -2.793 -6.885 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.434 -1.119 -7.043 1.00 0.00 H new ATOM 802 N GLU A 56 4.145 -2.353 -3.053 1.00 0.00 N ATOM 803 CA GLU A 56 4.954 -3.004 -2.036 1.00 0.00 C ATOM 804 C GLU A 56 4.183 -3.087 -0.717 1.00 0.00 C ATOM 805 O GLU A 56 4.690 -3.616 0.271 1.00 0.00 O ATOM 806 CB GLU A 56 6.287 -2.277 -1.847 1.00 0.00 C ATOM 807 CG GLU A 56 7.325 -2.765 -2.859 1.00 0.00 C ATOM 808 CD GLU A 56 8.745 -2.581 -2.320 1.00 0.00 C ATOM 809 OE1 GLU A 56 9.222 -3.518 -1.644 1.00 0.00 O ATOM 810 OE2 GLU A 56 9.322 -1.506 -2.595 1.00 0.00 O ATOM 0 H GLU A 56 4.428 -1.399 -3.277 1.00 0.00 H new ATOM 0 HA GLU A 56 5.175 -4.018 -2.370 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.139 -1.203 -1.961 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.655 -2.442 -0.834 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.151 -3.817 -3.085 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.213 -2.216 -3.794 1.00 0.00 H new ATOM 817 N ALA A 57 2.969 -2.556 -0.744 1.00 0.00 N ATOM 818 CA ALA A 57 2.123 -2.563 0.438 1.00 0.00 C ATOM 819 C ALA A 57 1.311 -3.859 0.470 1.00 0.00 C ATOM 820 O ALA A 57 0.792 -4.245 1.517 1.00 0.00 O ATOM 821 CB ALA A 57 1.234 -1.318 0.437 1.00 0.00 C ATOM 0 H ALA A 57 2.551 -2.118 -1.565 1.00 0.00 H new ATOM 0 HA ALA A 57 2.728 -2.530 1.344 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.600 -1.323 1.323 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.859 -0.425 0.443 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.609 -1.318 -0.456 1.00 0.00 H new ATOM 827 N LEU A 58 1.226 -4.496 -0.688 1.00 0.00 N ATOM 828 CA LEU A 58 0.485 -5.741 -0.806 1.00 0.00 C ATOM 829 C LEU A 58 1.260 -6.858 -0.105 1.00 0.00 C ATOM 830 O LEU A 58 0.706 -7.575 0.728 1.00 0.00 O ATOM 831 CB LEU A 58 0.168 -6.039 -2.272 1.00 0.00 C ATOM 832 CG LEU A 58 -1.209 -6.646 -2.551 1.00 0.00 C ATOM 833 CD1 LEU A 58 -2.325 -5.682 -2.143 1.00 0.00 C ATOM 834 CD2 LEU A 58 -1.332 -7.079 -4.013 1.00 0.00 C ATOM 0 H LEU A 58 1.658 -4.174 -1.554 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.480 -5.659 -0.306 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.256 -5.111 -2.838 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.928 -6.720 -2.656 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.317 -7.542 -1.940 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.293 -6.137 -2.352 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.248 -5.466 -1.077 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.230 -4.755 -2.709 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.320 -7.507 -4.184 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.194 -6.214 -4.662 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.570 -7.825 -4.237 1.00 0.00 H new ATOM 846 N PRO A 59 2.563 -6.975 -0.476 1.00 0.00 N ATOM 847 CA PRO A 59 3.420 -7.993 0.108 1.00 0.00 C ATOM 848 C PRO A 59 3.825 -7.616 1.534 1.00 0.00 C ATOM 849 O PRO A 59 4.024 -8.489 2.378 1.00 0.00 O ATOM 850 CB PRO A 59 4.605 -8.099 -0.838 1.00 0.00 C ATOM 851 CG PRO A 59 4.599 -6.820 -1.659 1.00 0.00 C ATOM 852 CD PRO A 59 3.253 -6.144 -1.459 1.00 0.00 C ATOM 0 HA PRO A 59 2.921 -8.957 0.209 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.538 -8.203 -0.285 1.00 0.00 H new ATOM 0 HB3 PRO A 59 4.515 -8.975 -1.480 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.408 -6.161 -1.344 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.761 -7.043 -2.714 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.373 -5.122 -1.099 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.694 -6.090 -2.393 1.00 0.00 H new ATOM 860 N ILE A 60 3.934 -6.316 1.760 1.00 0.00 N ATOM 861 CA ILE A 60 4.312 -5.813 3.070 1.00 0.00 C ATOM 862 C ILE A 60 3.226 -6.178 4.084 1.00 0.00 C ATOM 863 O ILE A 60 3.510 -6.800 5.107 1.00 0.00 O ATOM 864 CB ILE A 60 4.611 -4.314 3.003 1.00 0.00 C ATOM 865 CG1 ILE A 60 6.025 -4.060 2.475 1.00 0.00 C ATOM 866 CG2 ILE A 60 4.377 -3.647 4.360 1.00 0.00 C ATOM 867 CD1 ILE A 60 6.259 -2.568 2.232 1.00 0.00 C ATOM 0 H ILE A 60 3.767 -5.595 1.058 1.00 0.00 H new ATOM 0 HA ILE A 60 5.235 -6.284 3.407 1.00 0.00 H new ATOM 0 HB ILE A 60 3.917 -3.858 2.297 1.00 0.00 H new ATOM 0 HG12 ILE A 60 6.757 -4.435 3.190 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.175 -4.611 1.547 1.00 0.00 H new ATOM 0 HG21 ILE A 60 4.597 -2.582 4.285 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.337 -3.783 4.658 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.030 -4.100 5.106 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.271 -2.415 1.857 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.541 -2.202 1.498 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.132 -2.023 3.167 1.00 0.00 H new ATOM 879 N ILE A 61 2.004 -5.777 3.766 1.00 0.00 N ATOM 880 CA ILE A 61 0.874 -6.054 4.636 1.00 0.00 C ATOM 881 C ILE A 61 0.673 -7.567 4.736 1.00 0.00 C ATOM 882 O ILE A 61 0.422 -8.093 5.820 1.00 0.00 O ATOM 883 CB ILE A 61 -0.368 -5.298 4.159 1.00 0.00 C ATOM 884 CG1 ILE A 61 -0.069 -3.808 3.984 1.00 0.00 C ATOM 885 CG2 ILE A 61 -1.551 -5.540 5.098 1.00 0.00 C ATOM 886 CD1 ILE A 61 -1.041 -3.167 2.990 1.00 0.00 C ATOM 0 H ILE A 61 1.772 -5.262 2.917 1.00 0.00 H new ATOM 0 HA ILE A 61 1.071 -5.691 5.645 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.650 -5.686 3.180 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.142 -3.303 4.947 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.955 -3.678 3.633 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.421 -4.991 4.736 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.780 -6.605 5.127 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.296 -5.196 6.100 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.807 -2.108 2.884 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.948 -3.658 2.021 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.062 -3.278 3.356 1.00 0.00 H new ATOM 898 N GLY A 62 0.790 -8.225 3.592 1.00 0.00 N ATOM 899 CA GLY A 62 0.624 -9.667 3.537 1.00 0.00 C ATOM 900 C GLY A 62 1.596 -10.368 4.489 1.00 0.00 C ATOM 901 O GLY A 62 1.266 -11.401 5.068 1.00 0.00 O ATOM 0 H GLY A 62 0.998 -7.785 2.695 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.401 -9.929 3.800 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.791 -10.017 2.518 1.00 0.00 H new ATOM 905 N VAL A 63 2.774 -9.776 4.621 1.00 0.00 N ATOM 906 CA VAL A 63 3.796 -10.330 5.493 1.00 0.00 C ATOM 907 C VAL A 63 3.365 -10.158 6.950 1.00 0.00 C ATOM 908 O VAL A 63 3.657 -11.006 7.792 1.00 0.00 O ATOM 909 CB VAL A 63 5.149 -9.684 5.189 1.00 0.00 C ATOM 910 CG1 VAL A 63 6.197 -10.094 6.225 1.00 0.00 C ATOM 911 CG2 VAL A 63 5.615 -10.028 3.772 1.00 0.00 C ATOM 0 H VAL A 63 3.043 -8.918 4.139 1.00 0.00 H new ATOM 0 HA VAL A 63 3.914 -11.399 5.313 1.00 0.00 H new ATOM 0 HB VAL A 63 5.025 -8.603 5.248 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.150 -9.621 5.986 1.00 0.00 H new ATOM 0 HG12 VAL A 63 5.873 -9.776 7.216 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.316 -11.177 6.213 1.00 0.00 H new ATOM 0 HG21 VAL A 63 6.579 -9.556 3.581 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.714 -11.109 3.674 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.884 -9.664 3.050 1.00 0.00 H new ATOM 921 N VAL A 64 2.677 -9.054 7.204 1.00 0.00 N ATOM 922 CA VAL A 64 2.203 -8.760 8.546 1.00 0.00 C ATOM 923 C VAL A 64 1.183 -9.820 8.966 1.00 0.00 C ATOM 924 O VAL A 64 1.331 -10.449 10.012 1.00 0.00 O ATOM 925 CB VAL A 64 1.644 -7.337 8.603 1.00 0.00 C ATOM 926 CG1 VAL A 64 0.731 -7.154 9.817 1.00 0.00 C ATOM 927 CG2 VAL A 64 2.773 -6.304 8.606 1.00 0.00 C ATOM 0 H VAL A 64 2.437 -8.353 6.503 1.00 0.00 H new ATOM 0 HA VAL A 64 3.026 -8.801 9.259 1.00 0.00 H new ATOM 0 HB VAL A 64 1.045 -7.177 7.706 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.347 -6.134 9.833 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.102 -7.854 9.754 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.296 -7.344 10.729 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.348 -5.301 8.647 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.410 -6.464 9.476 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.366 -6.410 7.697 1.00 0.00 H new ATOM 937 N PHE A 65 0.170 -9.985 8.128 1.00 0.00 N ATOM 938 CA PHE A 65 -0.875 -10.958 8.399 1.00 0.00 C ATOM 939 C PHE A 65 -0.276 -12.317 8.768 1.00 0.00 C ATOM 940 O PHE A 65 -0.731 -12.965 9.709 1.00 0.00 O ATOM 941 CB PHE A 65 -1.692 -11.106 7.115 1.00 0.00 C ATOM 942 CG PHE A 65 -2.014 -12.556 6.746 1.00 0.00 C ATOM 943 CD1 PHE A 65 -2.789 -13.311 7.570 1.00 0.00 C ATOM 944 CD2 PHE A 65 -1.526 -13.089 5.594 1.00 0.00 C ATOM 945 CE1 PHE A 65 -3.088 -14.656 7.228 1.00 0.00 C ATOM 946 CE2 PHE A 65 -1.826 -14.434 5.251 1.00 0.00 C ATOM 947 CZ PHE A 65 -2.600 -15.189 6.075 1.00 0.00 C ATOM 0 H PHE A 65 0.051 -9.461 7.261 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.489 -10.622 9.235 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.625 -10.554 7.225 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.144 -10.646 6.293 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.177 -12.887 8.485 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.910 -12.489 4.940 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.703 -15.256 7.883 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.439 -14.857 4.336 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.828 -16.212 5.814 1.00 0.00 H new ATOM 957 N SER A 66 0.736 -12.708 8.008 1.00 0.00 N ATOM 958 CA SER A 66 1.402 -13.978 8.243 1.00 0.00 C ATOM 959 C SER A 66 2.152 -13.936 9.575 1.00 0.00 C ATOM 960 O SER A 66 2.018 -14.843 10.396 1.00 0.00 O ATOM 961 CB SER A 66 2.364 -14.314 7.102 1.00 0.00 C ATOM 962 OG SER A 66 3.671 -13.795 7.335 1.00 0.00 O ATOM 0 H SER A 66 1.111 -12.168 7.229 1.00 0.00 H new ATOM 0 HA SER A 66 0.644 -14.760 8.285 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.420 -15.396 6.982 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.974 -13.909 6.168 1.00 0.00 H new ATOM 0 HG SER A 66 3.635 -12.816 7.359 1.00 0.00 H new ATOM 968 N PHE A 67 2.926 -12.875 9.750 1.00 0.00 N ATOM 969 CA PHE A 67 3.698 -12.704 10.969 1.00 0.00 C ATOM 970 C PHE A 67 2.808 -12.844 12.205 1.00 0.00 C ATOM 971 O PHE A 67 3.211 -13.445 13.200 1.00 0.00 O ATOM 972 CB PHE A 67 4.282 -11.290 10.933 1.00 0.00 C ATOM 973 CG PHE A 67 5.764 -11.239 10.554 1.00 0.00 C ATOM 974 CD1 PHE A 67 6.637 -12.125 11.104 1.00 0.00 C ATOM 975 CD2 PHE A 67 6.207 -10.308 9.668 1.00 0.00 C ATOM 976 CE1 PHE A 67 8.012 -12.078 10.752 1.00 0.00 C ATOM 977 CE2 PHE A 67 7.582 -10.260 9.316 1.00 0.00 C ATOM 978 CZ PHE A 67 8.456 -11.146 9.866 1.00 0.00 C ATOM 0 H PHE A 67 3.035 -12.125 9.068 1.00 0.00 H new ATOM 0 HA PHE A 67 4.477 -13.465 11.027 1.00 0.00 H new ATOM 0 HB2 PHE A 67 3.714 -10.691 10.221 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.152 -10.829 11.912 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.285 -12.864 11.808 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.513 -9.605 9.232 1.00 0.00 H new ATOM 0 HE1 PHE A 67 8.705 -12.782 11.188 1.00 0.00 H new ATOM 0 HE2 PHE A 67 7.934 -9.520 8.612 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.502 -11.109 9.599 1.00 0.00 H new ATOM 988 N ILE A 68 1.614 -12.278 12.103 1.00 0.00 N ATOM 989 CA ILE A 68 0.663 -12.333 13.200 1.00 0.00 C ATOM 990 C ILE A 68 0.443 -13.791 13.607 1.00 0.00 C ATOM 991 O ILE A 68 0.642 -14.153 14.766 1.00 0.00 O ATOM 992 CB ILE A 68 -0.626 -11.596 12.830 1.00 0.00 C ATOM 993 CG1 ILE A 68 -0.564 -10.130 13.265 1.00 0.00 C ATOM 994 CG2 ILE A 68 -1.850 -12.312 13.402 1.00 0.00 C ATOM 995 CD1 ILE A 68 0.653 -9.429 12.657 1.00 0.00 C ATOM 0 H ILE A 68 1.284 -11.779 11.277 1.00 0.00 H new ATOM 0 HA ILE A 68 1.059 -11.815 14.073 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.725 -11.606 11.745 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.475 -9.617 12.957 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.517 -10.071 14.352 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.753 -11.768 13.124 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.899 -13.325 13.002 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.772 -12.355 14.488 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.674 -8.389 12.982 1.00 0.00 H new ATOM 0 HD12 ILE A 68 1.563 -9.930 12.986 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.590 -9.468 11.570 1.00 0.00 H new ATOM 1007 N TYR A 69 0.035 -14.589 12.631 1.00 0.00 N ATOM 1008 CA TYR A 69 -0.215 -16.000 12.873 1.00 0.00 C ATOM 1009 C TYR A 69 0.948 -16.640 13.633 1.00 0.00 C ATOM 1010 O TYR A 69 0.737 -17.352 14.613 1.00 0.00 O ATOM 1011 CB TYR A 69 -0.326 -16.651 11.493 1.00 0.00 C ATOM 1012 CG TYR A 69 -1.148 -17.941 11.478 1.00 0.00 C ATOM 1013 CD1 TYR A 69 -0.903 -18.926 12.413 1.00 0.00 C ATOM 1014 CD2 TYR A 69 -2.135 -18.120 10.530 1.00 0.00 C ATOM 1015 CE1 TYR A 69 -1.676 -20.141 12.399 1.00 0.00 C ATOM 1016 CE2 TYR A 69 -2.908 -19.335 10.516 1.00 0.00 C ATOM 1017 CZ TYR A 69 -2.641 -20.285 11.451 1.00 0.00 C ATOM 1018 OH TYR A 69 -3.371 -21.432 11.438 1.00 0.00 O ATOM 0 H TYR A 69 -0.129 -14.285 11.671 1.00 0.00 H new ATOM 0 HA TYR A 69 -1.116 -16.133 13.472 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -0.775 -15.938 10.801 1.00 0.00 H new ATOM 0 HB3 TYR A 69 0.676 -16.867 11.123 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -0.131 -18.786 13.155 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -2.328 -17.349 9.799 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -1.494 -20.920 13.124 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -3.683 -19.488 9.779 1.00 0.00 H new ATOM 0 HH TYR A 69 -4.024 -21.396 10.708 1.00 0.00 H new ATOM 1028 N LEU A 70 2.152 -16.363 13.153 1.00 0.00 N ATOM 1029 CA LEU A 70 3.348 -16.903 13.775 1.00 0.00 C ATOM 1030 C LEU A 70 3.317 -16.604 15.275 1.00 0.00 C ATOM 1031 O LEU A 70 3.974 -17.285 16.062 1.00 0.00 O ATOM 1032 CB LEU A 70 4.601 -16.379 13.070 1.00 0.00 C ATOM 1033 CG LEU A 70 5.722 -17.398 12.850 1.00 0.00 C ATOM 1034 CD1 LEU A 70 5.494 -18.194 11.564 1.00 0.00 C ATOM 1035 CD2 LEU A 70 7.092 -16.718 12.868 1.00 0.00 C ATOM 0 H LEU A 70 2.324 -15.771 12.340 1.00 0.00 H new ATOM 0 HA LEU A 70 3.378 -17.987 13.666 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.307 -15.977 12.101 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.001 -15.548 13.652 1.00 0.00 H new ATOM 0 HG LEU A 70 5.705 -18.109 13.676 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.304 -18.911 11.431 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.545 -18.727 11.629 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.470 -17.512 10.714 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.871 -17.464 12.710 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.138 -15.971 12.075 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.245 -16.233 13.832 1.00 0.00 H new ATOM 1047 N GLY A 71 2.547 -15.585 15.627 1.00 0.00 N ATOM 1048 CA GLY A 71 2.421 -15.188 17.019 1.00 0.00 C ATOM 1049 C GLY A 71 2.987 -13.784 17.242 1.00 0.00 C ATOM 1050 O GLY A 71 3.256 -13.392 18.377 1.00 0.00 O ATOM 0 H GLY A 71 2.004 -15.022 14.972 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.372 -15.212 17.314 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.947 -15.901 17.653 1.00 0.00 H new ATOM 1054 N ARG A 72 3.150 -13.064 16.142 1.00 0.00 N ATOM 1055 CA ARG A 72 3.678 -11.712 16.202 1.00 0.00 C ATOM 1056 C ARG A 72 2.549 -10.712 16.459 1.00 0.00 C ATOM 1057 O ARG A 72 2.457 -10.140 17.544 1.00 0.00 O ATOM 1058 CB ARG A 72 4.393 -11.341 14.902 1.00 0.00 C ATOM 1059 CG ARG A 72 5.661 -10.534 15.184 1.00 0.00 C ATOM 1060 CD ARG A 72 6.899 -11.433 15.168 1.00 0.00 C ATOM 1061 NE ARG A 72 7.643 -11.294 16.440 1.00 0.00 N ATOM 1062 CZ ARG A 72 8.929 -11.632 16.599 1.00 0.00 C ATOM 1063 NH1 ARG A 72 9.624 -12.131 15.567 1.00 0.00 N ATOM 1064 NH2 ARG A 72 9.522 -11.471 17.790 1.00 0.00 N ATOM 0 H ARG A 72 2.925 -13.392 15.203 1.00 0.00 H new ATOM 0 HA ARG A 72 4.396 -11.673 17.021 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.649 -12.247 14.353 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.723 -10.762 14.267 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.769 -9.747 14.437 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.576 -10.044 16.154 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.602 -12.472 15.023 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.542 -11.165 14.330 1.00 0.00 H new ATOM 0 HE ARG A 72 7.145 -10.917 17.246 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.173 -12.253 14.660 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.604 -12.388 15.689 1.00 0.00 H new ATOM 0 HH21 ARG A 72 8.994 -11.091 18.575 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.502 -11.729 17.911 1.00 0.00 H new TER 1078 ARG A 72