USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 553 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 2 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot -41:sc= 0.331 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.0228 K(o=-0.023,f=-0.83) USER MOD Single : A 45 GLN : amide:sc= 0.01 X(o=0.01,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -80:sc= 0.332 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -61:sc= 1.24 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N SER A 2 -5.202 -14.378 22.525 1.00 0.00 N ATOM 19 CA SER A 2 -6.040 -15.558 22.404 1.00 0.00 C ATOM 20 C SER A 2 -5.984 -16.096 20.973 1.00 0.00 C ATOM 21 O SER A 2 -5.218 -15.599 20.149 1.00 0.00 O ATOM 22 CB SER A 2 -7.485 -15.250 22.799 1.00 0.00 C ATOM 23 OG SER A 2 -7.787 -15.705 24.116 1.00 0.00 O ATOM 0 HA SER A 2 -5.660 -16.318 23.086 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.656 -14.175 22.739 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.164 -15.721 22.088 1.00 0.00 H new ATOM 0 HG SER A 2 -8.718 -15.488 24.332 1.00 0.00 H new ATOM 29 N LEU A 3 -6.806 -17.105 20.721 1.00 0.00 N ATOM 30 CA LEU A 3 -6.859 -17.715 19.404 1.00 0.00 C ATOM 31 C LEU A 3 -7.790 -16.898 18.505 1.00 0.00 C ATOM 32 O LEU A 3 -7.506 -16.703 17.324 1.00 0.00 O ATOM 33 CB LEU A 3 -7.249 -19.190 19.512 1.00 0.00 C ATOM 34 CG LEU A 3 -6.221 -20.196 18.989 1.00 0.00 C ATOM 35 CD1 LEU A 3 -5.244 -20.606 20.092 1.00 0.00 C ATOM 36 CD2 LEU A 3 -6.911 -21.406 18.356 1.00 0.00 C ATOM 0 H LEU A 3 -7.440 -17.515 21.407 1.00 0.00 H new ATOM 0 HA LEU A 3 -5.873 -17.702 18.939 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.449 -19.417 20.559 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -8.182 -19.339 18.969 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.637 -19.712 18.206 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -4.525 -21.321 19.693 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.716 -19.725 20.456 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.794 -21.065 20.914 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.158 -22.105 17.993 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -7.535 -21.900 19.101 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.532 -21.076 17.523 1.00 0.00 H new ATOM 48 N GLY A 4 -8.883 -16.441 19.099 1.00 0.00 N ATOM 49 CA GLY A 4 -9.857 -15.649 18.367 1.00 0.00 C ATOM 50 C GLY A 4 -9.254 -14.316 17.919 1.00 0.00 C ATOM 51 O GLY A 4 -9.362 -13.943 16.752 1.00 0.00 O ATOM 0 H GLY A 4 -9.115 -16.604 20.079 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.204 -16.206 17.497 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.728 -15.465 18.996 1.00 0.00 H new ATOM 55 N VAL A 5 -8.633 -13.634 18.870 1.00 0.00 N ATOM 56 CA VAL A 5 -8.014 -12.350 18.588 1.00 0.00 C ATOM 57 C VAL A 5 -6.925 -12.536 17.529 1.00 0.00 C ATOM 58 O VAL A 5 -6.631 -11.616 16.768 1.00 0.00 O ATOM 59 CB VAL A 5 -7.488 -11.727 19.883 1.00 0.00 C ATOM 60 CG1 VAL A 5 -6.165 -12.371 20.303 1.00 0.00 C ATOM 61 CG2 VAL A 5 -7.339 -10.211 19.741 1.00 0.00 C ATOM 0 H VAL A 5 -8.545 -13.947 19.837 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.747 -11.653 18.182 1.00 0.00 H new ATOM 0 HB VAL A 5 -8.219 -11.920 20.668 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.813 -11.910 21.226 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.315 -13.438 20.465 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -5.423 -12.224 19.518 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -6.964 -9.793 20.675 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -6.638 -9.988 18.936 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -8.309 -9.770 19.510 1.00 0.00 H new ATOM 71 N LEU A 6 -6.357 -13.733 17.514 1.00 0.00 N ATOM 72 CA LEU A 6 -5.308 -14.052 16.561 1.00 0.00 C ATOM 73 C LEU A 6 -5.868 -13.954 15.141 1.00 0.00 C ATOM 74 O LEU A 6 -5.297 -13.274 14.289 1.00 0.00 O ATOM 75 CB LEU A 6 -4.685 -15.411 16.884 1.00 0.00 C ATOM 76 CG LEU A 6 -3.459 -15.801 16.055 1.00 0.00 C ATOM 77 CD1 LEU A 6 -2.966 -17.200 16.431 1.00 0.00 C ATOM 78 CD2 LEU A 6 -3.749 -15.679 14.558 1.00 0.00 C ATOM 0 H LEU A 6 -6.604 -14.494 18.147 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.495 -13.330 16.634 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.404 -15.419 17.937 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.447 -16.179 16.752 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.654 -15.103 16.285 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.094 -17.453 15.828 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.695 -17.219 17.486 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.758 -17.926 16.247 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.862 -15.962 13.991 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.575 -16.339 14.292 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.017 -14.649 14.322 1.00 0.00 H new ATOM 90 N ALA A 7 -6.979 -14.644 14.928 1.00 0.00 N ATOM 91 CA ALA A 7 -7.623 -14.644 13.626 1.00 0.00 C ATOM 92 C ALA A 7 -7.954 -13.204 13.226 1.00 0.00 C ATOM 93 O ALA A 7 -7.948 -12.868 12.043 1.00 0.00 O ATOM 94 CB ALA A 7 -8.864 -15.537 13.669 1.00 0.00 C ATOM 0 H ALA A 7 -7.450 -15.207 15.636 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.955 -15.052 12.868 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.347 -15.536 12.692 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.571 -16.554 13.929 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -9.560 -15.157 14.417 1.00 0.00 H new ATOM 100 N ALA A 8 -8.235 -12.393 14.235 1.00 0.00 N ATOM 101 CA ALA A 8 -8.568 -10.998 14.003 1.00 0.00 C ATOM 102 C ALA A 8 -7.329 -10.260 13.493 1.00 0.00 C ATOM 103 O ALA A 8 -7.441 -9.319 12.709 1.00 0.00 O ATOM 104 CB ALA A 8 -9.123 -10.385 15.291 1.00 0.00 C ATOM 0 H ALA A 8 -8.239 -12.675 15.215 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.341 -10.910 13.240 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.373 -9.338 15.118 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.019 -10.926 15.595 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.373 -10.453 16.079 1.00 0.00 H new ATOM 110 N ALA A 9 -6.175 -10.715 13.960 1.00 0.00 N ATOM 111 CA ALA A 9 -4.916 -10.110 13.561 1.00 0.00 C ATOM 112 C ALA A 9 -4.623 -10.466 12.102 1.00 0.00 C ATOM 113 O ALA A 9 -3.995 -9.690 11.384 1.00 0.00 O ATOM 114 CB ALA A 9 -3.805 -10.570 14.508 1.00 0.00 C ATOM 0 H ALA A 9 -6.086 -11.495 14.611 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.974 -9.024 13.630 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.860 -10.116 14.208 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.046 -10.267 15.527 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.716 -11.655 14.464 1.00 0.00 H new ATOM 120 N ILE A 10 -5.092 -11.641 11.708 1.00 0.00 N ATOM 121 CA ILE A 10 -4.888 -12.110 10.348 1.00 0.00 C ATOM 122 C ILE A 10 -5.864 -11.390 9.414 1.00 0.00 C ATOM 123 O ILE A 10 -5.450 -10.784 8.426 1.00 0.00 O ATOM 124 CB ILE A 10 -4.989 -13.635 10.286 1.00 0.00 C ATOM 125 CG1 ILE A 10 -3.613 -14.283 10.450 1.00 0.00 C ATOM 126 CG2 ILE A 10 -5.686 -14.087 9.001 1.00 0.00 C ATOM 127 CD1 ILE A 10 -3.623 -15.311 11.583 1.00 0.00 C ATOM 0 H ILE A 10 -5.613 -12.282 12.307 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.881 -11.867 10.008 1.00 0.00 H new ATOM 0 HB ILE A 10 -5.604 -13.970 11.121 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.321 -14.767 9.518 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.868 -13.515 10.657 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.745 -15.175 8.982 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -6.692 -13.669 8.966 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -5.119 -13.739 8.138 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.633 -15.757 11.679 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.891 -14.819 12.518 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.352 -16.090 11.361 1.00 0.00 H new ATOM 139 N ALA A 11 -7.140 -11.482 9.759 1.00 0.00 N ATOM 140 CA ALA A 11 -8.177 -10.847 8.963 1.00 0.00 C ATOM 141 C ALA A 11 -7.866 -9.356 8.824 1.00 0.00 C ATOM 142 O ALA A 11 -8.333 -8.705 7.890 1.00 0.00 O ATOM 143 CB ALA A 11 -9.541 -11.101 9.607 1.00 0.00 C ATOM 0 H ALA A 11 -7.479 -11.986 10.578 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.206 -11.272 7.960 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.319 -10.625 9.011 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.726 -12.174 9.656 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.551 -10.685 10.615 1.00 0.00 H new ATOM 149 N VAL A 12 -7.080 -8.857 9.766 1.00 0.00 N ATOM 150 CA VAL A 12 -6.701 -7.454 9.761 1.00 0.00 C ATOM 151 C VAL A 12 -5.606 -7.230 8.716 1.00 0.00 C ATOM 152 O VAL A 12 -5.636 -6.244 7.981 1.00 0.00 O ATOM 153 CB VAL A 12 -6.284 -7.019 11.167 1.00 0.00 C ATOM 154 CG1 VAL A 12 -5.201 -5.939 11.107 1.00 0.00 C ATOM 155 CG2 VAL A 12 -7.492 -6.540 11.974 1.00 0.00 C ATOM 0 H VAL A 12 -6.695 -9.400 10.539 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.550 -6.830 9.481 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.865 -7.887 11.676 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.922 -5.647 12.119 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.326 -6.330 10.588 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.583 -5.070 10.571 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.168 -6.237 12.969 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.954 -5.692 11.469 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.217 -7.350 12.060 1.00 0.00 H new ATOM 165 N GLY A 13 -4.665 -8.163 8.682 1.00 0.00 N ATOM 166 CA GLY A 13 -3.563 -8.079 7.739 1.00 0.00 C ATOM 167 C GLY A 13 -4.056 -8.258 6.302 1.00 0.00 C ATOM 168 O GLY A 13 -3.531 -7.635 5.380 1.00 0.00 O ATOM 0 H GLY A 13 -4.643 -8.980 9.292 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.067 -7.114 7.839 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.822 -8.844 7.971 1.00 0.00 H new ATOM 172 N LEU A 14 -5.060 -9.110 6.156 1.00 0.00 N ATOM 173 CA LEU A 14 -5.630 -9.378 4.846 1.00 0.00 C ATOM 174 C LEU A 14 -6.466 -8.176 4.403 1.00 0.00 C ATOM 175 O LEU A 14 -6.458 -7.809 3.229 1.00 0.00 O ATOM 176 CB LEU A 14 -6.407 -10.696 4.860 1.00 0.00 C ATOM 177 CG LEU A 14 -7.878 -10.612 4.448 1.00 0.00 C ATOM 178 CD1 LEU A 14 -8.013 -10.339 2.949 1.00 0.00 C ATOM 179 CD2 LEU A 14 -8.639 -11.869 4.873 1.00 0.00 C ATOM 0 H LEU A 14 -5.494 -9.624 6.923 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.840 -9.508 4.106 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.904 -11.398 4.196 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.355 -11.115 5.865 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.331 -9.770 4.970 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -9.069 -10.284 2.683 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -7.528 -9.394 2.706 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.539 -11.145 2.388 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.682 -11.783 4.568 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -8.193 -12.743 4.398 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.585 -11.978 5.956 1.00 0.00 H new ATOM 191 N GLY A 15 -7.167 -7.596 5.366 1.00 0.00 N ATOM 192 CA GLY A 15 -8.006 -6.443 5.089 1.00 0.00 C ATOM 193 C GLY A 15 -7.157 -5.206 4.788 1.00 0.00 C ATOM 194 O GLY A 15 -7.416 -4.492 3.820 1.00 0.00 O ATOM 0 H GLY A 15 -7.171 -7.903 6.339 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.656 -6.657 4.241 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.652 -6.245 5.944 1.00 0.00 H new ATOM 198 N ALA A 16 -6.161 -4.991 5.634 1.00 0.00 N ATOM 199 CA ALA A 16 -5.272 -3.853 5.470 1.00 0.00 C ATOM 200 C ALA A 16 -4.410 -4.060 4.223 1.00 0.00 C ATOM 201 O ALA A 16 -3.816 -3.113 3.711 1.00 0.00 O ATOM 202 CB ALA A 16 -4.432 -3.674 6.736 1.00 0.00 C ATOM 0 H ALA A 16 -5.950 -5.585 6.435 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.845 -2.937 5.327 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.765 -2.820 6.613 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.090 -3.501 7.588 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.841 -4.573 6.911 1.00 0.00 H new ATOM 208 N LEU A 17 -4.370 -5.305 3.770 1.00 0.00 N ATOM 209 CA LEU A 17 -3.591 -5.648 2.593 1.00 0.00 C ATOM 210 C LEU A 17 -4.273 -5.072 1.350 1.00 0.00 C ATOM 211 O LEU A 17 -3.675 -4.284 0.619 1.00 0.00 O ATOM 212 CB LEU A 17 -3.362 -7.159 2.524 1.00 0.00 C ATOM 213 CG LEU A 17 -2.907 -7.708 1.170 1.00 0.00 C ATOM 214 CD1 LEU A 17 -1.645 -8.560 1.320 1.00 0.00 C ATOM 215 CD2 LEU A 17 -4.038 -8.474 0.482 1.00 0.00 C ATOM 0 H LEU A 17 -4.865 -6.088 4.197 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.599 -5.201 2.649 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.616 -7.428 3.272 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.289 -7.660 2.804 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.651 -6.865 0.527 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.343 -8.938 0.343 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.843 -7.952 1.738 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.849 -9.398 1.986 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.689 -8.854 -0.478 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.348 -9.308 1.111 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.885 -7.806 0.322 1.00 0.00 H new ATOM 227 N GLY A 18 -5.514 -5.489 1.149 1.00 0.00 N ATOM 228 CA GLY A 18 -6.283 -5.024 0.007 1.00 0.00 C ATOM 229 C GLY A 18 -6.757 -3.584 0.214 1.00 0.00 C ATOM 230 O GLY A 18 -7.006 -2.864 -0.751 1.00 0.00 O ATOM 0 H GLY A 18 -6.006 -6.143 1.757 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.674 -5.084 -0.895 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.144 -5.675 -0.146 1.00 0.00 H new ATOM 234 N ALA A 19 -6.868 -3.208 1.480 1.00 0.00 N ATOM 235 CA ALA A 19 -7.307 -1.867 1.826 1.00 0.00 C ATOM 236 C ALA A 19 -6.159 -0.883 1.595 1.00 0.00 C ATOM 237 O ALA A 19 -6.342 0.151 0.954 1.00 0.00 O ATOM 238 CB ALA A 19 -7.807 -1.851 3.272 1.00 0.00 C ATOM 0 H ALA A 19 -6.662 -3.809 2.278 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.137 -1.559 1.190 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -8.136 -0.845 3.532 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.642 -2.544 3.376 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.000 -2.152 3.940 1.00 0.00 H new ATOM 244 N GLY A 20 -5.000 -1.239 2.129 1.00 0.00 N ATOM 245 CA GLY A 20 -3.822 -0.400 1.990 1.00 0.00 C ATOM 246 C GLY A 20 -3.559 -0.064 0.520 1.00 0.00 C ATOM 247 O GLY A 20 -3.448 1.106 0.158 1.00 0.00 O ATOM 0 H GLY A 20 -4.852 -2.098 2.659 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.957 0.520 2.559 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.956 -0.910 2.411 1.00 0.00 H new ATOM 251 N ILE A 21 -3.468 -1.112 -0.286 1.00 0.00 N ATOM 252 CA ILE A 21 -3.220 -0.943 -1.707 1.00 0.00 C ATOM 253 C ILE A 21 -4.214 0.072 -2.277 1.00 0.00 C ATOM 254 O ILE A 21 -3.882 0.827 -3.189 1.00 0.00 O ATOM 255 CB ILE A 21 -3.246 -2.296 -2.421 1.00 0.00 C ATOM 256 CG1 ILE A 21 -2.308 -2.297 -3.629 1.00 0.00 C ATOM 257 CG2 ILE A 21 -4.675 -2.686 -2.804 1.00 0.00 C ATOM 258 CD1 ILE A 21 -0.915 -2.798 -3.241 1.00 0.00 C ATOM 0 H ILE A 21 -3.562 -2.081 0.018 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.221 -0.540 -1.873 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.880 -3.054 -1.729 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -2.721 -2.931 -4.414 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.235 -1.289 -4.038 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.665 -3.651 -3.310 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.287 -2.754 -1.905 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.092 -1.931 -3.471 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.268 -2.789 -4.118 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.495 -2.148 -2.473 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.988 -3.815 -2.855 1.00 0.00 H new ATOM 270 N GLY A 22 -5.414 0.056 -1.715 1.00 0.00 N ATOM 271 CA GLY A 22 -6.459 0.965 -2.155 1.00 0.00 C ATOM 272 C GLY A 22 -6.169 2.396 -1.698 1.00 0.00 C ATOM 273 O GLY A 22 -6.502 3.353 -2.395 1.00 0.00 O ATOM 0 H GLY A 22 -5.686 -0.572 -0.959 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.538 0.935 -3.242 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.420 0.640 -1.757 1.00 0.00 H new ATOM 277 N ASN A 23 -5.551 2.496 -0.531 1.00 0.00 N ATOM 278 CA ASN A 23 -5.212 3.794 0.028 1.00 0.00 C ATOM 279 C ASN A 23 -4.063 4.406 -0.776 1.00 0.00 C ATOM 280 O ASN A 23 -4.045 5.611 -1.022 1.00 0.00 O ATOM 281 CB ASN A 23 -4.757 3.667 1.482 1.00 0.00 C ATOM 282 CG ASN A 23 -5.704 4.415 2.422 1.00 0.00 C ATOM 283 OD1 ASN A 23 -6.551 3.836 3.082 1.00 0.00 O ATOM 284 ND2 ASN A 23 -5.515 5.731 2.445 1.00 0.00 N ATOM 0 H ASN A 23 -5.276 1.699 0.043 1.00 0.00 H new ATOM 0 HA ASN A 23 -6.101 4.423 -0.017 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -4.717 2.615 1.763 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.747 4.064 1.586 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -6.098 6.320 3.041 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -4.787 6.152 1.867 1.00 0.00 H new ATOM 291 N GLY A 24 -3.131 3.547 -1.163 1.00 0.00 N ATOM 292 CA GLY A 24 -1.981 3.988 -1.934 1.00 0.00 C ATOM 293 C GLY A 24 -2.372 4.279 -3.384 1.00 0.00 C ATOM 294 O GLY A 24 -1.726 5.082 -4.056 1.00 0.00 O ATOM 0 H GLY A 24 -3.149 2.548 -0.957 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.557 4.884 -1.481 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.206 3.221 -1.909 1.00 0.00 H new ATOM 298 N LEU A 25 -3.427 3.609 -3.825 1.00 0.00 N ATOM 299 CA LEU A 25 -3.911 3.785 -5.184 1.00 0.00 C ATOM 300 C LEU A 25 -4.540 5.173 -5.320 1.00 0.00 C ATOM 301 O LEU A 25 -4.385 5.830 -6.348 1.00 0.00 O ATOM 302 CB LEU A 25 -4.853 2.642 -5.569 1.00 0.00 C ATOM 303 CG LEU A 25 -4.191 1.406 -6.183 1.00 0.00 C ATOM 304 CD1 LEU A 25 -4.924 0.129 -5.768 1.00 0.00 C ATOM 305 CD2 LEU A 25 -4.087 1.539 -7.704 1.00 0.00 C ATOM 0 H LEU A 25 -3.960 2.943 -3.265 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.084 3.738 -5.893 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.400 2.332 -4.678 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.588 3.026 -6.277 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.175 1.334 -5.796 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.434 -0.734 -6.218 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.903 0.034 -4.682 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.959 0.176 -6.108 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.613 0.648 -8.116 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.085 1.648 -8.129 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.489 2.416 -7.953 1.00 0.00 H new ATOM 317 N ILE A 26 -5.237 5.577 -4.269 1.00 0.00 N ATOM 318 CA ILE A 26 -5.891 6.875 -4.258 1.00 0.00 C ATOM 319 C ILE A 26 -4.830 7.974 -4.168 1.00 0.00 C ATOM 320 O ILE A 26 -4.993 9.048 -4.746 1.00 0.00 O ATOM 321 CB ILE A 26 -6.939 6.939 -3.145 1.00 0.00 C ATOM 322 CG1 ILE A 26 -8.042 5.904 -3.372 1.00 0.00 C ATOM 323 CG2 ILE A 26 -7.501 8.354 -3.002 1.00 0.00 C ATOM 324 CD1 ILE A 26 -8.853 6.232 -4.627 1.00 0.00 C ATOM 0 H ILE A 26 -5.364 5.029 -3.418 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.438 7.034 -5.187 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.452 6.690 -2.202 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -7.600 4.912 -3.469 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.702 5.875 -2.505 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -8.244 8.372 -2.204 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.692 9.044 -2.760 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.968 8.656 -3.939 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.630 5.480 -4.765 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.313 7.214 -4.516 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -8.194 6.236 -5.495 1.00 0.00 H new ATOM 336 N VAL A 27 -3.767 7.668 -3.439 1.00 0.00 N ATOM 337 CA VAL A 27 -2.680 8.617 -3.266 1.00 0.00 C ATOM 338 C VAL A 27 -1.905 8.743 -4.579 1.00 0.00 C ATOM 339 O VAL A 27 -1.579 9.849 -5.008 1.00 0.00 O ATOM 340 CB VAL A 27 -1.799 8.194 -2.089 1.00 0.00 C ATOM 341 CG1 VAL A 27 -0.781 9.284 -1.747 1.00 0.00 C ATOM 342 CG2 VAL A 27 -2.649 7.835 -0.869 1.00 0.00 C ATOM 0 H VAL A 27 -3.635 6.776 -2.961 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.070 9.605 -3.023 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.248 7.302 -2.387 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.167 8.958 -0.907 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.144 9.471 -2.611 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.306 10.201 -1.479 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.998 7.538 -0.047 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.240 8.701 -0.570 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.316 7.010 -1.120 1.00 0.00 H new ATOM 352 N SER A 28 -1.631 7.594 -5.180 1.00 0.00 N ATOM 353 CA SER A 28 -0.900 7.562 -6.436 1.00 0.00 C ATOM 354 C SER A 28 -1.748 8.177 -7.551 1.00 0.00 C ATOM 355 O SER A 28 -1.212 8.738 -8.505 1.00 0.00 O ATOM 356 CB SER A 28 -0.498 6.132 -6.802 1.00 0.00 C ATOM 357 OG SER A 28 -1.564 5.421 -7.426 1.00 0.00 O ATOM 0 H SER A 28 -1.902 6.679 -4.821 1.00 0.00 H new ATOM 0 HA SER A 28 0.011 8.148 -6.317 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.362 6.157 -7.471 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.186 5.602 -5.902 1.00 0.00 H new ATOM 0 HG SER A 28 -2.407 5.631 -6.972 1.00 0.00 H new ATOM 363 N ARG A 29 -3.057 8.052 -7.393 1.00 0.00 N ATOM 364 CA ARG A 29 -3.984 8.589 -8.374 1.00 0.00 C ATOM 365 C ARG A 29 -3.999 10.118 -8.310 1.00 0.00 C ATOM 366 O ARG A 29 -4.014 10.786 -9.342 1.00 0.00 O ATOM 367 CB ARG A 29 -5.401 8.062 -8.140 1.00 0.00 C ATOM 368 CG ARG A 29 -6.293 8.326 -9.355 1.00 0.00 C ATOM 369 CD ARG A 29 -6.866 9.744 -9.317 1.00 0.00 C ATOM 370 NE ARG A 29 -8.341 9.691 -9.200 1.00 0.00 N ATOM 371 CZ ARG A 29 -9.157 10.704 -9.522 1.00 0.00 C ATOM 372 NH1 ARG A 29 -8.648 11.854 -9.982 1.00 0.00 N ATOM 373 NH2 ARG A 29 -10.483 10.566 -9.384 1.00 0.00 N ATOM 0 H ARG A 29 -3.498 7.586 -6.600 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.647 8.266 -9.359 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.366 6.992 -7.936 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.830 8.540 -7.259 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.717 8.187 -10.270 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.107 7.601 -9.377 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.446 10.293 -8.474 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.584 10.284 -10.221 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.762 8.830 -8.853 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.639 11.959 -10.087 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.269 12.625 -10.227 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.871 9.690 -9.034 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -11.104 11.337 -9.629 1.00 0.00 H new ATOM 387 N THR A 30 -3.993 10.627 -7.087 1.00 0.00 N ATOM 388 CA THR A 30 -4.006 12.064 -6.874 1.00 0.00 C ATOM 389 C THR A 30 -2.637 12.664 -7.201 1.00 0.00 C ATOM 390 O THR A 30 -2.548 13.794 -7.677 1.00 0.00 O ATOM 391 CB THR A 30 -4.455 12.326 -5.435 1.00 0.00 C ATOM 392 OG1 THR A 30 -5.129 13.579 -5.504 1.00 0.00 O ATOM 393 CG2 THR A 30 -3.279 12.586 -4.492 1.00 0.00 C ATOM 0 H THR A 30 -3.979 10.070 -6.233 1.00 0.00 H new ATOM 0 HA THR A 30 -4.711 12.556 -7.544 1.00 0.00 H new ATOM 0 HB THR A 30 -5.028 11.472 -5.073 1.00 0.00 H new ATOM 0 HG1 THR A 30 -5.455 13.825 -4.613 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.654 12.766 -3.484 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.620 11.718 -4.485 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.724 13.460 -4.834 1.00 0.00 H new ATOM 401 N ILE A 31 -1.603 11.879 -6.932 1.00 0.00 N ATOM 402 CA ILE A 31 -0.243 12.318 -7.192 1.00 0.00 C ATOM 403 C ILE A 31 -0.001 12.350 -8.702 1.00 0.00 C ATOM 404 O ILE A 31 0.681 13.240 -9.207 1.00 0.00 O ATOM 405 CB ILE A 31 0.756 11.447 -6.428 1.00 0.00 C ATOM 406 CG1 ILE A 31 1.874 12.298 -5.821 1.00 0.00 C ATOM 407 CG2 ILE A 31 1.305 10.331 -7.319 1.00 0.00 C ATOM 408 CD1 ILE A 31 2.505 11.597 -4.616 1.00 0.00 C ATOM 0 H ILE A 31 -1.681 10.942 -6.537 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.094 13.333 -6.824 1.00 0.00 H new ATOM 0 HB ILE A 31 0.230 10.969 -5.602 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.638 12.492 -6.574 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.475 13.265 -5.515 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.013 9.727 -6.751 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.484 9.702 -7.661 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.810 10.768 -8.180 1.00 0.00 H new ATOM 0 HD11 ILE A 31 3.296 12.223 -4.204 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.744 11.426 -3.855 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.925 10.641 -4.930 1.00 0.00 H new ATOM 420 N GLU A 32 -0.574 11.367 -9.382 1.00 0.00 N ATOM 421 CA GLU A 32 -0.430 11.271 -10.824 1.00 0.00 C ATOM 422 C GLU A 32 -1.222 12.386 -11.512 1.00 0.00 C ATOM 423 O GLU A 32 -0.884 12.799 -12.621 1.00 0.00 O ATOM 424 CB GLU A 32 -0.869 9.895 -11.329 1.00 0.00 C ATOM 425 CG GLU A 32 0.342 9.024 -11.669 1.00 0.00 C ATOM 426 CD GLU A 32 0.069 8.161 -12.902 1.00 0.00 C ATOM 427 OE1 GLU A 32 -0.667 7.163 -12.744 1.00 0.00 O ATOM 428 OE2 GLU A 32 0.601 8.520 -13.975 1.00 0.00 O ATOM 0 H GLU A 32 -1.139 10.630 -8.960 1.00 0.00 H new ATOM 0 HA GLU A 32 0.624 11.393 -11.073 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.475 9.401 -10.569 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.497 10.011 -12.212 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.211 9.657 -11.849 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.584 8.385 -10.820 1.00 0.00 H new ATOM 435 N GLY A 33 -2.260 12.841 -10.826 1.00 0.00 N ATOM 436 CA GLY A 33 -3.102 13.899 -11.357 1.00 0.00 C ATOM 437 C GLY A 33 -2.351 15.232 -11.392 1.00 0.00 C ATOM 438 O GLY A 33 -2.412 15.956 -12.384 1.00 0.00 O ATOM 0 H GLY A 33 -2.537 12.496 -9.907 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.431 13.637 -12.362 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.998 13.998 -10.744 1.00 0.00 H new ATOM 442 N ILE A 34 -1.660 15.514 -10.298 1.00 0.00 N ATOM 443 CA ILE A 34 -0.898 16.747 -10.192 1.00 0.00 C ATOM 444 C ILE A 34 0.263 16.711 -11.187 1.00 0.00 C ATOM 445 O ILE A 34 0.685 17.751 -11.692 1.00 0.00 O ATOM 446 CB ILE A 34 -0.460 16.983 -8.745 1.00 0.00 C ATOM 447 CG1 ILE A 34 0.738 16.102 -8.384 1.00 0.00 C ATOM 448 CG2 ILE A 34 -1.630 16.784 -7.779 1.00 0.00 C ATOM 449 CD1 ILE A 34 1.991 16.948 -8.153 1.00 0.00 C ATOM 0 H ILE A 34 -1.612 14.910 -9.477 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.519 17.603 -10.457 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.137 18.020 -8.650 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.513 15.526 -7.486 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.921 15.385 -9.185 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.292 16.958 -6.757 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.426 17.487 -8.022 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.006 15.765 -7.868 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.827 16.297 -7.898 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.227 17.504 -9.060 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.813 17.647 -7.336 1.00 0.00 H new ATOM 461 N ALA A 35 0.747 15.504 -11.441 1.00 0.00 N ATOM 462 CA ALA A 35 1.851 15.320 -12.367 1.00 0.00 C ATOM 463 C ALA A 35 1.367 15.595 -13.792 1.00 0.00 C ATOM 464 O ALA A 35 2.172 15.703 -14.715 1.00 0.00 O ATOM 465 CB ALA A 35 2.421 13.909 -12.208 1.00 0.00 C ATOM 0 H ALA A 35 0.395 14.644 -11.021 1.00 0.00 H new ATOM 0 HA ALA A 35 2.655 16.023 -12.150 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.249 13.771 -12.903 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.777 13.773 -11.187 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.643 13.176 -12.421 1.00 0.00 H new ATOM 471 N ARG A 36 0.053 15.700 -13.927 1.00 0.00 N ATOM 472 CA ARG A 36 -0.548 15.961 -15.223 1.00 0.00 C ATOM 473 C ARG A 36 -0.005 17.266 -15.808 1.00 0.00 C ATOM 474 O ARG A 36 0.528 17.280 -16.916 1.00 0.00 O ATOM 475 CB ARG A 36 -2.072 16.054 -15.116 1.00 0.00 C ATOM 476 CG ARG A 36 -2.674 14.711 -14.698 1.00 0.00 C ATOM 477 CD ARG A 36 -2.596 13.696 -15.840 1.00 0.00 C ATOM 478 NE ARG A 36 -3.332 14.203 -17.020 1.00 0.00 N ATOM 479 CZ ARG A 36 -3.255 13.661 -18.243 1.00 0.00 C ATOM 480 NH1 ARG A 36 -2.476 12.592 -18.455 1.00 0.00 N ATOM 481 NH2 ARG A 36 -3.958 14.189 -19.254 1.00 0.00 N ATOM 0 H ARG A 36 -0.612 15.609 -13.159 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.291 15.130 -15.880 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.343 16.820 -14.390 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.490 16.361 -16.075 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.143 14.326 -13.827 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -3.713 14.851 -14.401 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.554 13.511 -16.103 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.018 12.743 -15.520 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.935 15.016 -16.894 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.941 12.190 -17.685 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.418 12.180 -19.386 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.551 15.003 -19.092 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.900 13.777 -20.185 1.00 0.00 H new ATOM 495 N GLN A 37 -0.158 18.332 -15.035 1.00 0.00 N ATOM 496 CA GLN A 37 0.311 19.640 -15.463 1.00 0.00 C ATOM 497 C GLN A 37 1.700 19.525 -16.093 1.00 0.00 C ATOM 498 O GLN A 37 2.366 18.500 -15.955 1.00 0.00 O ATOM 499 CB GLN A 37 0.318 20.628 -14.295 1.00 0.00 C ATOM 500 CG GLN A 37 -0.938 21.502 -14.308 1.00 0.00 C ATOM 501 CD GLN A 37 -0.598 22.955 -13.968 1.00 0.00 C ATOM 502 OE1 GLN A 37 0.220 23.244 -13.111 1.00 0.00 O ATOM 503 NE2 GLN A 37 -1.270 23.850 -14.687 1.00 0.00 N ATOM 0 H GLN A 37 -0.600 18.317 -14.116 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.377 20.024 -16.216 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.376 20.083 -13.353 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.205 21.259 -14.353 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.408 21.455 -15.290 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.661 21.116 -13.590 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -1.941 23.540 -15.389 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -1.114 24.847 -14.536 1.00 0.00 H new ATOM 512 N PRO A 38 2.107 20.621 -16.789 1.00 0.00 N ATOM 513 CA PRO A 38 3.406 20.653 -17.440 1.00 0.00 C ATOM 514 C PRO A 38 4.528 20.842 -16.418 1.00 0.00 C ATOM 515 O PRO A 38 5.475 20.058 -16.378 1.00 0.00 O ATOM 516 CB PRO A 38 3.315 21.794 -18.441 1.00 0.00 C ATOM 517 CG PRO A 38 2.143 22.651 -17.991 1.00 0.00 C ATOM 518 CD PRO A 38 1.346 21.853 -16.972 1.00 0.00 C ATOM 0 HA PRO A 38 3.648 19.717 -17.943 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.238 22.373 -18.458 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.157 21.416 -19.451 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.498 23.583 -17.552 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.516 22.918 -18.842 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.244 22.399 -16.034 1.00 0.00 H new ATOM 0 HD3 PRO A 38 0.338 21.646 -17.332 1.00 0.00 H new ATOM 526 N GLU A 39 4.385 21.888 -15.617 1.00 0.00 N ATOM 527 CA GLU A 39 5.375 22.190 -14.597 1.00 0.00 C ATOM 528 C GLU A 39 5.605 20.971 -13.702 1.00 0.00 C ATOM 529 O GLU A 39 6.652 20.851 -13.067 1.00 0.00 O ATOM 530 CB GLU A 39 4.956 23.407 -13.769 1.00 0.00 C ATOM 531 CG GLU A 39 6.179 24.189 -13.287 1.00 0.00 C ATOM 532 CD GLU A 39 5.761 25.374 -12.413 1.00 0.00 C ATOM 533 OE1 GLU A 39 4.695 25.953 -12.713 1.00 0.00 O ATOM 534 OE2 GLU A 39 6.518 25.675 -11.465 1.00 0.00 O ATOM 0 H GLU A 39 3.599 22.537 -15.654 1.00 0.00 H new ATOM 0 HA GLU A 39 6.315 22.435 -15.092 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.317 24.056 -14.368 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.366 23.083 -12.912 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.837 23.530 -12.722 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.747 24.548 -14.145 1.00 0.00 H new ATOM 541 N LEU A 40 4.609 20.097 -13.680 1.00 0.00 N ATOM 542 CA LEU A 40 4.690 18.891 -12.874 1.00 0.00 C ATOM 543 C LEU A 40 4.986 17.695 -13.780 1.00 0.00 C ATOM 544 O LEU A 40 4.548 16.579 -13.504 1.00 0.00 O ATOM 545 CB LEU A 40 3.424 18.725 -12.030 1.00 0.00 C ATOM 546 CG LEU A 40 3.103 19.871 -11.069 1.00 0.00 C ATOM 547 CD1 LEU A 40 1.835 20.610 -11.500 1.00 0.00 C ATOM 548 CD2 LEU A 40 3.012 19.368 -9.627 1.00 0.00 C ATOM 0 H LEU A 40 3.742 20.200 -14.207 1.00 0.00 H new ATOM 0 HA LEU A 40 5.513 18.963 -12.163 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.577 18.594 -12.703 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.516 17.806 -11.451 1.00 0.00 H new ATOM 0 HG LEU A 40 3.922 20.589 -11.108 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.630 21.420 -10.800 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.976 21.022 -12.499 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.995 19.916 -11.509 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.783 20.203 -8.964 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.224 18.618 -9.552 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.964 18.924 -9.336 1.00 0.00 H new ATOM 560 N ARG A 41 5.727 17.969 -14.844 1.00 0.00 N ATOM 561 CA ARG A 41 6.086 16.929 -15.793 1.00 0.00 C ATOM 562 C ARG A 41 6.986 15.888 -15.124 1.00 0.00 C ATOM 563 O ARG A 41 6.840 14.690 -15.364 1.00 0.00 O ATOM 564 CB ARG A 41 6.812 17.516 -17.005 1.00 0.00 C ATOM 565 CG ARG A 41 7.611 16.439 -17.742 1.00 0.00 C ATOM 566 CD ARG A 41 6.717 15.255 -18.118 1.00 0.00 C ATOM 567 NE ARG A 41 6.249 15.399 -19.515 1.00 0.00 N ATOM 568 CZ ARG A 41 5.701 14.406 -20.229 1.00 0.00 C ATOM 569 NH1 ARG A 41 5.549 13.192 -19.683 1.00 0.00 N ATOM 570 NH2 ARG A 41 5.306 14.628 -21.490 1.00 0.00 N ATOM 0 H ARG A 41 6.088 18.896 -15.070 1.00 0.00 H new ATOM 0 HA ARG A 41 5.164 16.455 -16.130 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.088 17.965 -17.685 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.482 18.313 -16.681 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.056 16.863 -18.642 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.431 16.095 -17.112 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.268 14.322 -18.005 1.00 0.00 H new ATOM 0 HD3 ARG A 41 5.863 15.205 -17.443 1.00 0.00 H new ATOM 0 HE ARG A 41 6.350 16.310 -19.962 1.00 0.00 H new ATOM 0 HH11 ARG A 41 5.850 13.023 -18.723 1.00 0.00 H new ATOM 0 HH12 ARG A 41 5.132 12.437 -20.227 1.00 0.00 H new ATOM 0 HH21 ARG A 41 5.423 15.552 -21.906 1.00 0.00 H new ATOM 0 HH22 ARG A 41 4.889 13.873 -22.034 1.00 0.00 H new ATOM 584 N PRO A 42 7.921 16.395 -14.277 1.00 0.00 N ATOM 585 CA PRO A 42 8.844 15.523 -13.572 1.00 0.00 C ATOM 586 C PRO A 42 8.144 14.799 -12.420 1.00 0.00 C ATOM 587 O PRO A 42 8.634 13.782 -11.932 1.00 0.00 O ATOM 588 CB PRO A 42 9.968 16.434 -13.105 1.00 0.00 C ATOM 589 CG PRO A 42 9.408 17.847 -13.159 1.00 0.00 C ATOM 590 CD PRO A 42 8.123 17.808 -13.969 1.00 0.00 C ATOM 0 HA PRO A 42 9.233 14.724 -14.204 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.284 16.177 -12.094 1.00 0.00 H new ATOM 0 HB3 PRO A 42 10.843 16.336 -13.747 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.214 18.220 -12.153 1.00 0.00 H new ATOM 0 HG3 PRO A 42 10.128 18.526 -13.617 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.285 18.213 -13.402 1.00 0.00 H new ATOM 0 HD3 PRO A 42 8.210 18.403 -14.878 1.00 0.00 H new ATOM 598 N VAL A 43 7.008 15.352 -12.020 1.00 0.00 N ATOM 599 CA VAL A 43 6.235 14.771 -10.935 1.00 0.00 C ATOM 600 C VAL A 43 5.769 13.371 -11.339 1.00 0.00 C ATOM 601 O VAL A 43 5.557 12.513 -10.484 1.00 0.00 O ATOM 602 CB VAL A 43 5.079 15.701 -10.561 1.00 0.00 C ATOM 603 CG1 VAL A 43 4.107 15.009 -9.603 1.00 0.00 C ATOM 604 CG2 VAL A 43 5.600 17.010 -9.963 1.00 0.00 C ATOM 0 H VAL A 43 6.605 16.196 -12.427 1.00 0.00 H new ATOM 0 HA VAL A 43 6.851 14.663 -10.042 1.00 0.00 H new ATOM 0 HB VAL A 43 4.535 15.943 -11.474 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.295 15.692 -9.353 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.698 14.118 -10.080 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.634 14.724 -8.693 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.758 17.653 -9.706 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.180 16.795 -9.065 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.234 17.516 -10.691 1.00 0.00 H new ATOM 614 N LEU A 44 5.623 13.184 -12.642 1.00 0.00 N ATOM 615 CA LEU A 44 5.186 11.902 -13.170 1.00 0.00 C ATOM 616 C LEU A 44 6.079 10.793 -12.609 1.00 0.00 C ATOM 617 O LEU A 44 5.585 9.755 -12.173 1.00 0.00 O ATOM 618 CB LEU A 44 5.139 11.940 -14.699 1.00 0.00 C ATOM 619 CG LEU A 44 4.379 10.797 -15.375 1.00 0.00 C ATOM 620 CD1 LEU A 44 2.877 11.084 -15.412 1.00 0.00 C ATOM 621 CD2 LEU A 44 4.943 10.513 -16.769 1.00 0.00 C ATOM 0 H LEU A 44 5.799 13.898 -13.348 1.00 0.00 H new ATOM 0 HA LEU A 44 4.167 11.685 -12.848 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.686 12.883 -15.006 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.162 11.942 -15.074 1.00 0.00 H new ATOM 0 HG LEU A 44 4.520 9.894 -14.781 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.360 10.256 -15.898 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.503 11.198 -14.394 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.696 12.002 -15.970 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.385 9.697 -17.228 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.853 11.406 -17.387 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.993 10.234 -16.687 1.00 0.00 H new ATOM 633 N GLN A 45 7.378 11.052 -12.639 1.00 0.00 N ATOM 634 CA GLN A 45 8.344 10.089 -12.139 1.00 0.00 C ATOM 635 C GLN A 45 8.119 9.836 -10.647 1.00 0.00 C ATOM 636 O GLN A 45 8.262 8.708 -10.177 1.00 0.00 O ATOM 637 CB GLN A 45 9.776 10.560 -12.405 1.00 0.00 C ATOM 638 CG GLN A 45 10.319 11.360 -11.219 1.00 0.00 C ATOM 639 CD GLN A 45 11.629 12.061 -11.585 1.00 0.00 C ATOM 640 OE1 GLN A 45 12.587 11.450 -12.029 1.00 0.00 O ATOM 641 NE2 GLN A 45 11.617 13.374 -11.374 1.00 0.00 N ATOM 0 H GLN A 45 7.784 11.915 -13.002 1.00 0.00 H new ATOM 0 HA GLN A 45 8.200 9.149 -12.673 1.00 0.00 H new ATOM 0 HB2 GLN A 45 10.417 9.699 -12.591 1.00 0.00 H new ATOM 0 HB3 GLN A 45 9.799 11.175 -13.304 1.00 0.00 H new ATOM 0 HG2 GLN A 45 9.582 12.099 -10.906 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.483 10.695 -10.371 1.00 0.00 H new ATOM 0 HE21 GLN A 45 10.781 13.823 -11.000 1.00 0.00 H new ATOM 0 HE22 GLN A 45 12.444 13.932 -11.586 1.00 0.00 H new ATOM 650 N THR A 46 7.770 10.903 -9.945 1.00 0.00 N ATOM 651 CA THR A 46 7.523 10.811 -8.516 1.00 0.00 C ATOM 652 C THR A 46 6.323 9.903 -8.239 1.00 0.00 C ATOM 653 O THR A 46 6.286 9.208 -7.225 1.00 0.00 O ATOM 654 CB THR A 46 7.348 12.231 -7.973 1.00 0.00 C ATOM 655 OG1 THR A 46 8.381 12.360 -7.000 1.00 0.00 O ATOM 656 CG2 THR A 46 6.057 12.396 -7.170 1.00 0.00 C ATOM 0 H THR A 46 7.652 11.836 -10.339 1.00 0.00 H new ATOM 0 HA THR A 46 8.365 10.351 -7.999 1.00 0.00 H new ATOM 0 HB THR A 46 7.353 12.939 -8.801 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.342 13.253 -6.598 1.00 0.00 H new ATOM 0 HG21 THR A 46 5.982 13.421 -6.808 1.00 0.00 H new ATOM 0 HG22 THR A 46 5.201 12.173 -7.807 1.00 0.00 H new ATOM 0 HG23 THR A 46 6.066 11.711 -6.322 1.00 0.00 H new ATOM 664 N THR A 47 5.370 9.939 -9.160 1.00 0.00 N ATOM 665 CA THR A 47 4.172 9.128 -9.028 1.00 0.00 C ATOM 666 C THR A 47 4.469 7.673 -9.398 1.00 0.00 C ATOM 667 O THR A 47 3.856 6.754 -8.856 1.00 0.00 O ATOM 668 CB THR A 47 3.075 9.762 -9.887 1.00 0.00 C ATOM 669 OG1 THR A 47 3.373 9.323 -11.209 1.00 0.00 O ATOM 670 CG2 THR A 47 3.198 11.285 -9.962 1.00 0.00 C ATOM 0 H THR A 47 5.404 10.517 -10.000 1.00 0.00 H new ATOM 0 HA THR A 47 3.823 9.103 -7.996 1.00 0.00 H new ATOM 0 HB THR A 47 2.098 9.497 -9.483 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.095 9.872 -11.581 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.396 11.685 -10.583 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.124 11.706 -8.959 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.161 11.551 -10.397 1.00 0.00 H new ATOM 678 N MET A 48 5.408 7.510 -10.317 1.00 0.00 N ATOM 679 CA MET A 48 5.794 6.183 -10.766 1.00 0.00 C ATOM 680 C MET A 48 6.438 5.386 -9.630 1.00 0.00 C ATOM 681 O MET A 48 6.168 4.197 -9.470 1.00 0.00 O ATOM 682 CB MET A 48 6.780 6.303 -11.929 1.00 0.00 C ATOM 683 CG MET A 48 6.240 5.609 -13.181 1.00 0.00 C ATOM 684 SD MET A 48 7.365 5.848 -14.546 1.00 0.00 S ATOM 685 CE MET A 48 6.202 6.243 -15.841 1.00 0.00 C ATOM 0 H MET A 48 5.914 8.275 -10.764 1.00 0.00 H new ATOM 0 HA MET A 48 4.898 5.656 -11.092 1.00 0.00 H new ATOM 0 HB2 MET A 48 6.967 7.355 -12.144 1.00 0.00 H new ATOM 0 HB3 MET A 48 7.735 5.860 -11.647 1.00 0.00 H new ATOM 0 HG2 MET A 48 6.110 4.544 -12.989 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.258 6.010 -13.434 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.741 6.423 -16.771 1.00 0.00 H new ATOM 0 HE2 MET A 48 5.512 5.410 -15.977 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.642 7.137 -15.567 1.00 0.00 H new ATOM 695 N PHE A 49 7.279 6.073 -8.871 1.00 0.00 N ATOM 696 CA PHE A 49 7.964 5.444 -7.754 1.00 0.00 C ATOM 697 C PHE A 49 7.016 5.245 -6.571 1.00 0.00 C ATOM 698 O PHE A 49 7.143 4.275 -5.825 1.00 0.00 O ATOM 699 CB PHE A 49 9.094 6.387 -7.334 1.00 0.00 C ATOM 700 CG PHE A 49 9.922 5.879 -6.153 1.00 0.00 C ATOM 701 CD1 PHE A 49 9.455 6.021 -4.883 1.00 0.00 C ATOM 702 CD2 PHE A 49 11.125 5.284 -6.372 1.00 0.00 C ATOM 703 CE1 PHE A 49 10.223 5.549 -3.787 1.00 0.00 C ATOM 704 CE2 PHE A 49 11.894 4.812 -5.275 1.00 0.00 C ATOM 705 CZ PHE A 49 11.427 4.954 -4.006 1.00 0.00 C ATOM 0 H PHE A 49 7.502 7.059 -9.007 1.00 0.00 H new ATOM 0 HA PHE A 49 8.340 4.465 -8.052 1.00 0.00 H new ATOM 0 HB2 PHE A 49 9.755 6.547 -8.186 1.00 0.00 H new ATOM 0 HB3 PHE A 49 8.667 7.356 -7.075 1.00 0.00 H new ATOM 0 HD1 PHE A 49 8.499 6.493 -4.709 1.00 0.00 H new ATOM 0 HD2 PHE A 49 11.496 5.170 -7.380 1.00 0.00 H new ATOM 0 HE1 PHE A 49 9.852 5.662 -2.779 1.00 0.00 H new ATOM 0 HE2 PHE A 49 12.850 4.340 -5.449 1.00 0.00 H new ATOM 0 HZ PHE A 49 12.012 4.595 -3.172 1.00 0.00 H new ATOM 715 N ILE A 50 6.085 6.178 -6.435 1.00 0.00 N ATOM 716 CA ILE A 50 5.116 6.117 -5.355 1.00 0.00 C ATOM 717 C ILE A 50 4.138 4.971 -5.617 1.00 0.00 C ATOM 718 O ILE A 50 3.641 4.346 -4.681 1.00 0.00 O ATOM 719 CB ILE A 50 4.436 7.475 -5.167 1.00 0.00 C ATOM 720 CG1 ILE A 50 4.613 7.985 -3.736 1.00 0.00 C ATOM 721 CG2 ILE A 50 2.962 7.411 -5.575 1.00 0.00 C ATOM 722 CD1 ILE A 50 6.046 8.466 -3.499 1.00 0.00 C ATOM 0 H ILE A 50 5.982 6.981 -7.056 1.00 0.00 H new ATOM 0 HA ILE A 50 5.613 5.902 -4.409 1.00 0.00 H new ATOM 0 HB ILE A 50 4.922 8.194 -5.826 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.916 8.801 -3.548 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.371 7.190 -3.030 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.502 8.389 -5.432 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.887 7.125 -6.624 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.446 6.674 -4.960 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.145 8.823 -2.474 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.739 7.641 -3.664 1.00 0.00 H new ATOM 0 HD13 ILE A 50 6.277 9.277 -4.190 1.00 0.00 H new ATOM 734 N GLY A 51 3.890 4.728 -6.896 1.00 0.00 N ATOM 735 CA GLY A 51 2.980 3.667 -7.294 1.00 0.00 C ATOM 736 C GLY A 51 3.549 2.293 -6.935 1.00 0.00 C ATOM 737 O GLY A 51 2.869 1.479 -6.312 1.00 0.00 O ATOM 0 H GLY A 51 4.304 5.248 -7.670 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.017 3.806 -6.802 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.800 3.721 -8.368 1.00 0.00 H new ATOM 741 N VAL A 52 4.791 2.077 -7.343 1.00 0.00 N ATOM 742 CA VAL A 52 5.459 0.816 -7.073 1.00 0.00 C ATOM 743 C VAL A 52 5.526 0.593 -5.560 1.00 0.00 C ATOM 744 O VAL A 52 5.226 -0.497 -5.076 1.00 0.00 O ATOM 745 CB VAL A 52 6.835 0.798 -7.741 1.00 0.00 C ATOM 746 CG1 VAL A 52 7.416 -0.617 -7.765 1.00 0.00 C ATOM 747 CG2 VAL A 52 6.767 1.387 -9.152 1.00 0.00 C ATOM 0 H VAL A 52 5.352 2.755 -7.859 1.00 0.00 H new ATOM 0 HA VAL A 52 4.895 -0.013 -7.500 1.00 0.00 H new ATOM 0 HB VAL A 52 7.503 1.423 -7.148 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.394 -0.601 -8.245 1.00 0.00 H new ATOM 0 HG12 VAL A 52 7.519 -0.985 -6.744 1.00 0.00 H new ATOM 0 HG13 VAL A 52 6.749 -1.275 -8.322 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.758 1.362 -9.605 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.077 0.801 -9.758 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.418 2.418 -9.099 1.00 0.00 H new ATOM 757 N ALA A 53 5.922 1.644 -4.857 1.00 0.00 N ATOM 758 CA ALA A 53 6.033 1.577 -3.410 1.00 0.00 C ATOM 759 C ALA A 53 4.697 1.119 -2.821 1.00 0.00 C ATOM 760 O ALA A 53 4.668 0.381 -1.838 1.00 0.00 O ATOM 761 CB ALA A 53 6.472 2.939 -2.868 1.00 0.00 C ATOM 0 H ALA A 53 6.170 2.546 -5.263 1.00 0.00 H new ATOM 0 HA ALA A 53 6.790 0.850 -3.117 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.555 2.889 -1.782 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.439 3.206 -3.294 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.735 3.694 -3.141 1.00 0.00 H new ATOM 767 N LEU A 54 3.623 1.576 -3.448 1.00 0.00 N ATOM 768 CA LEU A 54 2.287 1.222 -2.999 1.00 0.00 C ATOM 769 C LEU A 54 2.052 -0.271 -3.238 1.00 0.00 C ATOM 770 O LEU A 54 1.318 -0.915 -2.489 1.00 0.00 O ATOM 771 CB LEU A 54 1.243 2.123 -3.661 1.00 0.00 C ATOM 772 CG LEU A 54 0.276 1.433 -4.626 1.00 0.00 C ATOM 773 CD1 LEU A 54 -0.910 0.826 -3.873 1.00 0.00 C ATOM 774 CD2 LEU A 54 -0.175 2.391 -5.729 1.00 0.00 C ATOM 0 H LEU A 54 3.651 2.188 -4.263 1.00 0.00 H new ATOM 0 HA LEU A 54 2.188 1.393 -1.927 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.660 2.606 -2.877 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.764 2.912 -4.203 1.00 0.00 H new ATOM 0 HG LEU A 54 0.805 0.612 -5.110 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.582 0.342 -4.582 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.547 0.090 -3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.447 1.614 -3.344 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.861 1.875 -6.401 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.679 3.248 -5.283 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.694 2.734 -6.291 1.00 0.00 H new ATOM 786 N VAL A 55 2.688 -0.777 -4.284 1.00 0.00 N ATOM 787 CA VAL A 55 2.557 -2.182 -4.631 1.00 0.00 C ATOM 788 C VAL A 55 3.315 -3.029 -3.607 1.00 0.00 C ATOM 789 O VAL A 55 2.976 -4.190 -3.382 1.00 0.00 O ATOM 790 CB VAL A 55 3.033 -2.413 -6.067 1.00 0.00 C ATOM 791 CG1 VAL A 55 3.289 -3.899 -6.327 1.00 0.00 C ATOM 792 CG2 VAL A 55 2.032 -1.844 -7.074 1.00 0.00 C ATOM 0 H VAL A 55 3.295 -0.240 -4.903 1.00 0.00 H new ATOM 0 HA VAL A 55 1.511 -2.488 -4.596 1.00 0.00 H new ATOM 0 HB VAL A 55 3.977 -1.883 -6.197 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.626 -4.036 -7.354 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.056 -4.261 -5.642 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.368 -4.460 -6.170 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.394 -2.021 -8.087 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.066 -2.333 -6.943 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.921 -0.772 -6.911 1.00 0.00 H new ATOM 802 N GLU A 56 4.328 -2.415 -3.012 1.00 0.00 N ATOM 803 CA GLU A 56 5.137 -3.098 -2.017 1.00 0.00 C ATOM 804 C GLU A 56 4.381 -3.190 -0.690 1.00 0.00 C ATOM 805 O GLU A 56 4.885 -3.758 0.277 1.00 0.00 O ATOM 806 CB GLU A 56 6.485 -2.399 -1.833 1.00 0.00 C ATOM 807 CG GLU A 56 7.435 -2.726 -2.987 1.00 0.00 C ATOM 808 CD GLU A 56 8.849 -2.220 -2.693 1.00 0.00 C ATOM 809 OE1 GLU A 56 9.608 -2.990 -2.064 1.00 0.00 O ATOM 810 OE2 GLU A 56 9.140 -1.076 -3.104 1.00 0.00 O ATOM 0 H GLU A 56 4.607 -1.452 -3.200 1.00 0.00 H new ATOM 0 HA GLU A 56 5.335 -4.110 -2.370 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.335 -1.321 -1.776 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.934 -2.709 -0.889 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.457 -3.803 -3.150 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.066 -2.272 -3.906 1.00 0.00 H new ATOM 817 N ALA A 57 3.184 -2.622 -0.688 1.00 0.00 N ATOM 818 CA ALA A 57 2.353 -2.632 0.504 1.00 0.00 C ATOM 819 C ALA A 57 1.504 -3.905 0.518 1.00 0.00 C ATOM 820 O ALA A 57 1.031 -4.328 1.572 1.00 0.00 O ATOM 821 CB ALA A 57 1.501 -1.362 0.544 1.00 0.00 C ATOM 0 H ALA A 57 2.770 -2.152 -1.493 1.00 0.00 H new ATOM 0 HA ALA A 57 2.971 -2.638 1.402 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.878 -1.370 1.438 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.152 -0.488 0.563 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.866 -1.322 -0.341 1.00 0.00 H new ATOM 827 N LEU A 58 1.338 -4.480 -0.664 1.00 0.00 N ATOM 828 CA LEU A 58 0.554 -5.696 -0.801 1.00 0.00 C ATOM 829 C LEU A 58 1.286 -6.849 -0.112 1.00 0.00 C ATOM 830 O LEU A 58 0.708 -7.548 0.719 1.00 0.00 O ATOM 831 CB LEU A 58 0.233 -5.963 -2.273 1.00 0.00 C ATOM 832 CG LEU A 58 -1.211 -6.364 -2.582 1.00 0.00 C ATOM 833 CD1 LEU A 58 -2.196 -5.328 -2.038 1.00 0.00 C ATOM 834 CD2 LEU A 58 -1.403 -6.606 -4.080 1.00 0.00 C ATOM 0 H LEU A 58 1.733 -4.127 -1.536 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.410 -5.587 -0.303 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.470 -5.066 -2.845 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.893 -6.753 -2.631 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.421 -7.305 -2.074 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.215 -5.637 -2.271 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.080 -5.248 -0.957 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.996 -4.360 -2.497 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.438 -6.890 -4.273 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.168 -5.694 -4.629 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.740 -7.407 -4.407 1.00 0.00 H new ATOM 846 N PRO A 59 2.581 -7.017 -0.492 1.00 0.00 N ATOM 847 CA PRO A 59 3.398 -8.074 0.080 1.00 0.00 C ATOM 848 C PRO A 59 3.826 -7.724 1.507 1.00 0.00 C ATOM 849 O PRO A 59 4.003 -8.611 2.340 1.00 0.00 O ATOM 850 CB PRO A 59 4.573 -8.223 -0.873 1.00 0.00 C ATOM 851 CG PRO A 59 4.615 -6.939 -1.686 1.00 0.00 C ATOM 852 CD PRO A 59 3.299 -6.209 -1.473 1.00 0.00 C ATOM 0 HA PRO A 59 2.859 -9.017 0.177 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.504 -8.369 -0.325 1.00 0.00 H new ATOM 0 HB3 PRO A 59 4.444 -9.091 -1.520 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.452 -6.316 -1.372 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.762 -7.161 -2.743 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.463 -5.195 -1.107 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.738 -6.125 -2.404 1.00 0.00 H new ATOM 860 N ILE A 60 3.981 -6.430 1.744 1.00 0.00 N ATOM 861 CA ILE A 60 4.384 -5.952 3.055 1.00 0.00 C ATOM 862 C ILE A 60 3.284 -6.270 4.070 1.00 0.00 C ATOM 863 O ILE A 60 3.539 -6.917 5.085 1.00 0.00 O ATOM 864 CB ILE A 60 4.755 -4.469 2.995 1.00 0.00 C ATOM 865 CG1 ILE A 60 6.189 -4.283 2.494 1.00 0.00 C ATOM 866 CG2 ILE A 60 4.527 -3.791 4.347 1.00 0.00 C ATOM 867 CD1 ILE A 60 6.515 -2.800 2.306 1.00 0.00 C ATOM 0 H ILE A 60 3.835 -5.697 1.050 1.00 0.00 H new ATOM 0 HA ILE A 60 5.284 -6.468 3.388 1.00 0.00 H new ATOM 0 HB ILE A 60 4.097 -3.981 2.276 1.00 0.00 H new ATOM 0 HG12 ILE A 60 6.887 -4.725 3.205 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.319 -4.811 1.549 1.00 0.00 H new ATOM 0 HG21 ILE A 60 4.799 -2.738 4.276 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.476 -3.877 4.625 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.143 -4.274 5.105 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.540 -2.695 1.949 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.831 -2.367 1.576 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.407 -2.280 3.258 1.00 0.00 H new ATOM 879 N ILE A 61 2.085 -5.801 3.761 1.00 0.00 N ATOM 880 CA ILE A 61 0.945 -6.027 4.633 1.00 0.00 C ATOM 881 C ILE A 61 0.693 -7.531 4.756 1.00 0.00 C ATOM 882 O ILE A 61 0.385 -8.026 5.840 1.00 0.00 O ATOM 883 CB ILE A 61 -0.270 -5.238 4.142 1.00 0.00 C ATOM 884 CG1 ILE A 61 0.075 -3.759 3.957 1.00 0.00 C ATOM 885 CG2 ILE A 61 -1.466 -5.435 5.077 1.00 0.00 C ATOM 886 CD1 ILE A 61 -0.824 -3.115 2.899 1.00 0.00 C ATOM 0 H ILE A 61 1.878 -5.265 2.918 1.00 0.00 H new ATOM 0 HA ILE A 61 1.153 -5.655 5.636 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.557 -5.626 3.165 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.039 -3.234 4.905 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.119 -3.660 3.661 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.316 -4.863 4.705 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.728 -6.492 5.115 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.206 -5.090 6.078 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.558 -2.064 2.787 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.689 -3.627 1.946 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.866 -3.195 3.209 1.00 0.00 H new ATOM 898 N GLY A 62 0.833 -8.216 3.631 1.00 0.00 N ATOM 899 CA GLY A 62 0.624 -9.654 3.599 1.00 0.00 C ATOM 900 C GLY A 62 1.609 -10.371 4.523 1.00 0.00 C ATOM 901 O GLY A 62 1.284 -11.410 5.097 1.00 0.00 O ATOM 0 H GLY A 62 1.089 -7.802 2.734 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.398 -9.884 3.902 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.744 -10.020 2.579 1.00 0.00 H new ATOM 905 N VAL A 63 2.794 -9.790 4.638 1.00 0.00 N ATOM 906 CA VAL A 63 3.829 -10.361 5.483 1.00 0.00 C ATOM 907 C VAL A 63 3.418 -10.223 6.950 1.00 0.00 C ATOM 908 O VAL A 63 3.709 -11.098 7.765 1.00 0.00 O ATOM 909 CB VAL A 63 5.177 -9.704 5.176 1.00 0.00 C ATOM 910 CG1 VAL A 63 6.181 -9.960 6.302 1.00 0.00 C ATOM 911 CG2 VAL A 63 5.727 -10.183 3.831 1.00 0.00 C ATOM 0 H VAL A 63 3.061 -8.929 4.160 1.00 0.00 H new ATOM 0 HA VAL A 63 3.946 -11.425 5.277 1.00 0.00 H new ATOM 0 HB VAL A 63 5.017 -8.628 5.108 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.130 -9.482 6.059 1.00 0.00 H new ATOM 0 HG12 VAL A 63 5.795 -9.547 7.234 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.334 -11.033 6.416 1.00 0.00 H new ATOM 0 HG21 VAL A 63 6.685 -9.701 3.637 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.864 -11.264 3.858 1.00 0.00 H new ATOM 0 HG23 VAL A 63 5.025 -9.926 3.038 1.00 0.00 H new ATOM 921 N VAL A 64 2.748 -9.119 7.243 1.00 0.00 N ATOM 922 CA VAL A 64 2.293 -8.856 8.597 1.00 0.00 C ATOM 923 C VAL A 64 1.307 -9.946 9.021 1.00 0.00 C ATOM 924 O VAL A 64 1.471 -10.562 10.072 1.00 0.00 O ATOM 925 CB VAL A 64 1.702 -7.447 8.687 1.00 0.00 C ATOM 926 CG1 VAL A 64 0.703 -7.344 9.841 1.00 0.00 C ATOM 927 CG2 VAL A 64 2.807 -6.397 8.822 1.00 0.00 C ATOM 0 H VAL A 64 2.509 -8.395 6.565 1.00 0.00 H new ATOM 0 HA VAL A 64 3.131 -8.887 9.293 1.00 0.00 H new ATOM 0 HB VAL A 64 1.164 -7.249 7.760 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.298 -6.333 9.883 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.109 -8.054 9.684 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.207 -7.572 10.780 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.360 -5.405 8.884 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.386 -6.592 9.725 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.463 -6.446 7.953 1.00 0.00 H new ATOM 937 N PHE A 65 0.303 -10.150 8.180 1.00 0.00 N ATOM 938 CA PHE A 65 -0.710 -11.155 8.454 1.00 0.00 C ATOM 939 C PHE A 65 -0.070 -12.518 8.724 1.00 0.00 C ATOM 940 O PHE A 65 -0.501 -13.244 9.620 1.00 0.00 O ATOM 941 CB PHE A 65 -1.589 -11.256 7.206 1.00 0.00 C ATOM 942 CG PHE A 65 -1.899 -12.691 6.777 1.00 0.00 C ATOM 943 CD1 PHE A 65 -2.789 -13.436 7.487 1.00 0.00 C ATOM 944 CD2 PHE A 65 -1.284 -13.223 5.687 1.00 0.00 C ATOM 945 CE1 PHE A 65 -3.076 -14.768 7.089 1.00 0.00 C ATOM 946 CE2 PHE A 65 -1.571 -14.556 5.289 1.00 0.00 C ATOM 947 CZ PHE A 65 -2.462 -15.300 5.999 1.00 0.00 C ATOM 0 H PHE A 65 0.170 -9.636 7.309 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.286 -10.873 9.335 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.527 -10.733 7.392 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.094 -10.741 6.383 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.277 -13.014 8.353 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.577 -12.632 5.124 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.783 -15.359 7.653 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.082 -14.979 4.424 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.681 -16.313 5.697 1.00 0.00 H new ATOM 957 N SER A 66 0.948 -12.826 7.934 1.00 0.00 N ATOM 958 CA SER A 66 1.651 -14.090 8.077 1.00 0.00 C ATOM 959 C SER A 66 2.393 -14.127 9.414 1.00 0.00 C ATOM 960 O SER A 66 2.431 -15.161 10.078 1.00 0.00 O ATOM 961 CB SER A 66 2.628 -14.310 6.921 1.00 0.00 C ATOM 962 OG SER A 66 3.901 -13.723 7.178 1.00 0.00 O ATOM 0 H SER A 66 1.303 -12.222 7.193 1.00 0.00 H new ATOM 0 HA SER A 66 0.916 -14.895 8.054 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.750 -15.379 6.748 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.211 -13.885 6.008 1.00 0.00 H new ATOM 0 HG SER A 66 3.798 -12.755 7.291 1.00 0.00 H new ATOM 968 N PHE A 67 2.965 -12.986 9.769 1.00 0.00 N ATOM 969 CA PHE A 67 3.705 -12.875 11.015 1.00 0.00 C ATOM 970 C PHE A 67 2.775 -13.031 12.220 1.00 0.00 C ATOM 971 O PHE A 67 3.168 -13.589 13.244 1.00 0.00 O ATOM 972 CB PHE A 67 4.327 -11.477 11.043 1.00 0.00 C ATOM 973 CG PHE A 67 5.851 -11.472 10.913 1.00 0.00 C ATOM 974 CD1 PHE A 67 6.445 -12.069 9.845 1.00 0.00 C ATOM 975 CD2 PHE A 67 6.613 -10.870 11.866 1.00 0.00 C ATOM 976 CE1 PHE A 67 7.860 -12.064 9.725 1.00 0.00 C ATOM 977 CE2 PHE A 67 8.028 -10.865 11.745 1.00 0.00 C ATOM 978 CZ PHE A 67 8.621 -11.462 10.677 1.00 0.00 C ATOM 0 H PHE A 67 2.931 -12.130 9.216 1.00 0.00 H new ATOM 0 HA PHE A 67 4.462 -13.658 11.070 1.00 0.00 H new ATOM 0 HB2 PHE A 67 3.901 -10.885 10.233 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.050 -10.986 11.976 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.841 -12.547 9.088 1.00 0.00 H new ATOM 0 HD2 PHE A 67 6.142 -10.396 12.714 1.00 0.00 H new ATOM 0 HE1 PHE A 67 8.332 -12.539 8.877 1.00 0.00 H new ATOM 0 HE2 PHE A 67 8.633 -10.387 12.501 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.697 -11.458 10.585 1.00 0.00 H new ATOM 988 N ILE A 68 1.560 -12.528 12.058 1.00 0.00 N ATOM 989 CA ILE A 68 0.571 -12.604 13.120 1.00 0.00 C ATOM 990 C ILE A 68 0.291 -14.073 13.446 1.00 0.00 C ATOM 991 O ILE A 68 0.407 -14.490 14.597 1.00 0.00 O ATOM 992 CB ILE A 68 -0.681 -11.809 12.745 1.00 0.00 C ATOM 993 CG1 ILE A 68 -0.610 -10.383 13.296 1.00 0.00 C ATOM 994 CG2 ILE A 68 -1.949 -12.536 13.197 1.00 0.00 C ATOM 995 CD1 ILE A 68 0.788 -9.790 13.105 1.00 0.00 C ATOM 0 H ILE A 68 1.238 -12.066 11.207 1.00 0.00 H new ATOM 0 HA ILE A 68 0.954 -12.142 14.030 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.724 -11.733 11.659 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.346 -9.757 12.791 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.866 -10.386 14.355 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.824 -11.949 12.918 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.999 -13.513 12.716 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.928 -12.665 14.279 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.811 -8.776 13.505 1.00 0.00 H new ATOM 0 HD12 ILE A 68 1.519 -10.404 13.631 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.031 -9.766 12.043 1.00 0.00 H new ATOM 1007 N TYR A 69 -0.071 -14.817 12.411 1.00 0.00 N ATOM 1008 CA TYR A 69 -0.368 -16.230 12.573 1.00 0.00 C ATOM 1009 C TYR A 69 0.771 -16.950 13.296 1.00 0.00 C ATOM 1010 O TYR A 69 0.534 -17.708 14.236 1.00 0.00 O ATOM 1011 CB TYR A 69 -0.499 -16.798 11.158 1.00 0.00 C ATOM 1012 CG TYR A 69 -1.429 -18.009 11.057 1.00 0.00 C ATOM 1013 CD1 TYR A 69 -1.205 -19.118 11.847 1.00 0.00 C ATOM 1014 CD2 TYR A 69 -2.491 -17.991 10.176 1.00 0.00 C ATOM 1015 CE1 TYR A 69 -2.080 -20.258 11.752 1.00 0.00 C ATOM 1016 CE2 TYR A 69 -3.366 -19.131 10.081 1.00 0.00 C ATOM 1017 CZ TYR A 69 -3.117 -20.208 10.873 1.00 0.00 C ATOM 1018 OH TYR A 69 -3.944 -21.284 10.783 1.00 0.00 O ATOM 0 H TYR A 69 -0.165 -14.468 11.457 1.00 0.00 H new ATOM 0 HA TYR A 69 -1.274 -16.367 13.164 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -0.867 -16.014 10.496 1.00 0.00 H new ATOM 0 HB3 TYR A 69 0.490 -17.081 10.798 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -0.374 -19.131 12.536 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -2.666 -17.123 9.558 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -1.917 -21.132 12.364 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -4.201 -19.131 9.396 1.00 0.00 H new ATOM 0 HH TYR A 69 -4.640 -21.107 10.116 1.00 0.00 H new ATOM 1028 N LEU A 70 1.984 -16.689 12.831 1.00 0.00 N ATOM 1029 CA LEU A 70 3.161 -17.303 13.422 1.00 0.00 C ATOM 1030 C LEU A 70 3.205 -16.977 14.916 1.00 0.00 C ATOM 1031 O LEU A 70 3.876 -17.663 15.685 1.00 0.00 O ATOM 1032 CB LEU A 70 4.422 -16.883 12.663 1.00 0.00 C ATOM 1033 CG LEU A 70 5.500 -17.957 12.510 1.00 0.00 C ATOM 1034 CD1 LEU A 70 5.275 -18.784 11.243 1.00 0.00 C ATOM 1035 CD2 LEU A 70 6.899 -17.339 12.549 1.00 0.00 C ATOM 0 H LEU A 70 2.177 -16.060 12.051 1.00 0.00 H new ATOM 0 HA LEU A 70 3.110 -18.388 13.334 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.129 -16.546 11.669 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.861 -16.026 13.173 1.00 0.00 H new ATOM 0 HG LEU A 70 5.425 -18.639 13.357 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.056 -19.540 11.159 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.301 -19.272 11.295 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.307 -18.130 10.371 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.647 -18.124 12.438 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.003 -16.622 11.735 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.046 -16.830 13.502 1.00 0.00 H new ATOM 1047 N GLY A 71 2.482 -15.929 15.282 1.00 0.00 N ATOM 1048 CA GLY A 71 2.430 -15.504 16.671 1.00 0.00 C ATOM 1049 C GLY A 71 3.188 -14.190 16.870 1.00 0.00 C ATOM 1050 O GLY A 71 3.602 -13.871 17.984 1.00 0.00 O ATOM 0 H GLY A 71 1.927 -15.361 14.641 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.392 -15.379 16.978 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.861 -16.277 17.308 1.00 0.00 H new ATOM 1054 N ARG A 72 3.346 -13.462 15.774 1.00 0.00 N ATOM 1055 CA ARG A 72 4.046 -12.190 15.815 1.00 0.00 C ATOM 1056 C ARG A 72 5.550 -12.417 15.988 1.00 0.00 C ATOM 1057 O ARG A 72 6.062 -12.382 17.105 1.00 0.00 O ATOM 1058 CB ARG A 72 3.534 -11.316 16.961 1.00 0.00 C ATOM 1059 CG ARG A 72 2.998 -9.982 16.436 1.00 0.00 C ATOM 1060 CD ARG A 72 1.646 -9.647 17.070 1.00 0.00 C ATOM 1061 NE ARG A 72 1.780 -8.466 17.951 1.00 0.00 N ATOM 1062 CZ ARG A 72 0.742 -7.803 18.481 1.00 0.00 C ATOM 1063 NH1 ARG A 72 -0.510 -8.202 18.222 1.00 0.00 N ATOM 1064 NH2 ARG A 72 0.958 -6.741 19.269 1.00 0.00 N ATOM 0 H ARG A 72 3.001 -13.729 14.852 1.00 0.00 H new ATOM 0 HA ARG A 72 3.858 -11.678 14.871 1.00 0.00 H new ATOM 0 HB2 ARG A 72 2.746 -11.842 17.500 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.340 -11.134 17.672 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.712 -9.188 16.653 1.00 0.00 H new ATOM 0 HG3 ARG A 72 2.894 -10.029 15.352 1.00 0.00 H new ATOM 0 HD2 ARG A 72 0.909 -9.449 16.292 1.00 0.00 H new ATOM 0 HD3 ARG A 72 1.283 -10.500 17.644 1.00 0.00 H new ATOM 0 HE ARG A 72 2.720 -8.136 18.169 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -0.674 -9.010 17.622 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -1.300 -7.698 18.625 1.00 0.00 H new ATOM 0 HH21 ARG A 72 1.912 -6.437 19.465 1.00 0.00 H new ATOM 0 HH22 ARG A 72 0.169 -6.236 19.672 1.00 0.00 H new