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 -37:sc= 0.341 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.374 K(o=-0.37,f=-2.2!) USER MOD Single : A 45 GLN : amide:sc= -0.0191 X(o=-0.019,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -55:sc= 1.09 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -68:sc= 1.24 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N SER A 2 -5.076 -14.805 22.556 1.00 0.00 N ATOM 19 CA SER A 2 -5.979 -15.929 22.380 1.00 0.00 C ATOM 20 C SER A 2 -5.872 -16.469 20.953 1.00 0.00 C ATOM 21 O SER A 2 -4.997 -16.056 20.193 1.00 0.00 O ATOM 22 CB SER A 2 -7.423 -15.529 22.690 1.00 0.00 C ATOM 23 OG SER A 2 -8.056 -16.454 23.571 1.00 0.00 O ATOM 0 HA SER A 2 -5.689 -16.713 23.080 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.436 -14.535 23.138 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.990 -15.467 21.761 1.00 0.00 H new ATOM 0 HG SER A 2 -8.975 -16.163 23.746 1.00 0.00 H new ATOM 29 N LEU A 3 -6.775 -17.383 20.630 1.00 0.00 N ATOM 30 CA LEU A 3 -6.794 -17.983 19.307 1.00 0.00 C ATOM 31 C LEU A 3 -7.722 -17.175 18.398 1.00 0.00 C ATOM 32 O LEU A 3 -7.344 -16.810 17.286 1.00 0.00 O ATOM 33 CB LEU A 3 -7.159 -19.466 19.397 1.00 0.00 C ATOM 34 CG LEU A 3 -6.322 -20.306 20.364 1.00 0.00 C ATOM 35 CD1 LEU A 3 -7.008 -21.641 20.665 1.00 0.00 C ATOM 36 CD2 LEU A 3 -4.900 -20.499 19.833 1.00 0.00 C ATOM 0 H LEU A 3 -7.499 -17.723 21.262 1.00 0.00 H new ATOM 0 HA LEU A 3 -5.801 -17.949 18.859 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -8.206 -19.545 19.691 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.074 -19.902 18.401 1.00 0.00 H new ATOM 0 HG LEU A 3 -6.243 -19.765 21.307 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -6.393 -22.219 21.354 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -7.983 -21.456 21.117 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -7.138 -22.200 19.739 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -4.326 -21.099 20.539 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -4.937 -21.008 18.870 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -4.422 -19.527 19.711 1.00 0.00 H new ATOM 48 N GLY A 4 -8.919 -16.919 18.905 1.00 0.00 N ATOM 49 CA GLY A 4 -9.904 -16.161 18.153 1.00 0.00 C ATOM 50 C GLY A 4 -9.361 -14.781 17.775 1.00 0.00 C ATOM 51 O GLY A 4 -9.516 -14.340 16.637 1.00 0.00 O ATOM 0 H GLY A 4 -9.229 -17.223 19.828 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.178 -16.708 17.251 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.812 -16.049 18.746 1.00 0.00 H new ATOM 55 N VAL A 5 -8.737 -14.138 18.750 1.00 0.00 N ATOM 56 CA VAL A 5 -8.170 -12.818 18.534 1.00 0.00 C ATOM 57 C VAL A 5 -7.103 -12.898 17.440 1.00 0.00 C ATOM 58 O VAL A 5 -6.880 -11.931 16.714 1.00 0.00 O ATOM 59 CB VAL A 5 -7.634 -12.256 19.852 1.00 0.00 C ATOM 60 CG1 VAL A 5 -6.378 -13.008 20.298 1.00 0.00 C ATOM 61 CG2 VAL A 5 -7.362 -10.755 19.738 1.00 0.00 C ATOM 0 H VAL A 5 -8.611 -14.507 19.693 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.937 -12.125 18.189 1.00 0.00 H new ATOM 0 HB VAL A 5 -8.400 -12.401 20.614 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -6.017 -12.589 21.237 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.616 -14.062 20.439 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -5.605 -12.909 19.536 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -6.982 -10.381 20.689 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -6.623 -10.577 18.957 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -8.287 -10.236 19.487 1.00 0.00 H new ATOM 71 N LEU A 6 -6.473 -14.061 17.357 1.00 0.00 N ATOM 72 CA LEU A 6 -5.435 -14.280 16.364 1.00 0.00 C ATOM 73 C LEU A 6 -6.047 -14.188 14.964 1.00 0.00 C ATOM 74 O LEU A 6 -5.554 -13.446 14.116 1.00 0.00 O ATOM 75 CB LEU A 6 -4.708 -15.599 16.631 1.00 0.00 C ATOM 76 CG LEU A 6 -3.294 -15.713 16.059 1.00 0.00 C ATOM 77 CD1 LEU A 6 -2.888 -17.179 15.887 1.00 0.00 C ATOM 78 CD2 LEU A 6 -3.166 -14.927 14.752 1.00 0.00 C ATOM 0 H LEU A 6 -6.661 -14.861 17.961 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.673 -13.503 16.432 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.656 -15.750 17.709 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.310 -16.412 16.224 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.601 -15.268 16.773 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.879 -17.232 15.479 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.915 -17.680 16.855 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.581 -17.671 15.205 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.151 -15.025 14.367 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.872 -15.320 14.020 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.384 -13.875 14.937 1.00 0.00 H new ATOM 90 N ALA A 7 -7.111 -14.952 14.767 1.00 0.00 N ATOM 91 CA ALA A 7 -7.795 -14.966 13.485 1.00 0.00 C ATOM 92 C ALA A 7 -8.157 -13.533 13.089 1.00 0.00 C ATOM 93 O ALA A 7 -8.148 -13.190 11.908 1.00 0.00 O ATOM 94 CB ALA A 7 -9.022 -15.875 13.571 1.00 0.00 C ATOM 0 H ALA A 7 -7.516 -15.566 15.474 1.00 0.00 H new ATOM 0 HA ALA A 7 -7.145 -15.368 12.708 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.535 -15.886 12.609 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.708 -16.887 13.826 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -9.699 -15.501 14.339 1.00 0.00 H new ATOM 100 N ALA A 8 -8.467 -12.735 14.100 1.00 0.00 N ATOM 101 CA ALA A 8 -8.832 -11.347 13.873 1.00 0.00 C ATOM 102 C ALA A 8 -7.591 -10.562 13.441 1.00 0.00 C ATOM 103 O ALA A 8 -7.694 -9.603 12.677 1.00 0.00 O ATOM 104 CB ALA A 8 -9.473 -10.773 15.138 1.00 0.00 C ATOM 0 H ALA A 8 -8.473 -13.023 15.078 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.567 -11.270 13.072 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.747 -9.732 14.967 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.366 -11.347 15.386 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.764 -10.831 15.964 1.00 0.00 H new ATOM 110 N ALA A 9 -6.448 -10.998 13.948 1.00 0.00 N ATOM 111 CA ALA A 9 -5.189 -10.349 13.624 1.00 0.00 C ATOM 112 C ALA A 9 -4.801 -10.688 12.184 1.00 0.00 C ATOM 113 O ALA A 9 -4.157 -9.889 11.506 1.00 0.00 O ATOM 114 CB ALA A 9 -4.120 -10.776 14.632 1.00 0.00 C ATOM 0 H ALA A 9 -6.367 -11.793 14.581 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.287 -9.266 13.692 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -3.176 -10.289 14.389 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.430 -10.486 15.636 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.992 -11.858 14.590 1.00 0.00 H new ATOM 120 N ILE A 10 -5.210 -11.875 11.758 1.00 0.00 N ATOM 121 CA ILE A 10 -4.913 -12.330 10.411 1.00 0.00 C ATOM 122 C ILE A 10 -5.876 -11.661 9.428 1.00 0.00 C ATOM 123 O ILE A 10 -5.446 -11.031 8.463 1.00 0.00 O ATOM 124 CB ILE A 10 -4.930 -13.858 10.345 1.00 0.00 C ATOM 125 CG1 ILE A 10 -3.515 -14.428 10.462 1.00 0.00 C ATOM 126 CG2 ILE A 10 -5.641 -14.345 9.081 1.00 0.00 C ATOM 127 CD1 ILE A 10 -3.481 -15.619 11.423 1.00 0.00 C ATOM 0 H ILE A 10 -5.745 -12.535 12.323 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.905 -12.033 10.122 1.00 0.00 H new ATOM 0 HB ILE A 10 -5.498 -14.230 11.197 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.162 -14.739 9.479 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.835 -13.653 10.814 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.639 -15.435 9.059 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -6.670 -13.984 9.080 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -5.122 -13.963 8.202 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.464 -16.005 11.488 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.811 -15.299 12.411 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.144 -16.402 11.055 1.00 0.00 H new ATOM 139 N ALA A 11 -7.161 -11.822 9.706 1.00 0.00 N ATOM 140 CA ALA A 11 -8.189 -11.242 8.859 1.00 0.00 C ATOM 141 C ALA A 11 -7.953 -9.735 8.737 1.00 0.00 C ATOM 142 O ALA A 11 -8.389 -9.111 7.771 1.00 0.00 O ATOM 143 CB ALA A 11 -9.569 -11.572 9.431 1.00 0.00 C ATOM 0 H ALA A 11 -7.514 -12.346 10.507 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.143 -11.665 7.856 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.340 -11.137 8.795 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.698 -12.654 9.469 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.654 -11.161 10.437 1.00 0.00 H new ATOM 149 N VAL A 12 -7.265 -9.194 9.731 1.00 0.00 N ATOM 150 CA VAL A 12 -6.966 -7.772 9.748 1.00 0.00 C ATOM 151 C VAL A 12 -5.866 -7.475 8.727 1.00 0.00 C ATOM 152 O VAL A 12 -6.032 -6.616 7.863 1.00 0.00 O ATOM 153 CB VAL A 12 -6.601 -7.331 11.166 1.00 0.00 C ATOM 154 CG1 VAL A 12 -5.447 -6.327 11.148 1.00 0.00 C ATOM 155 CG2 VAL A 12 -7.818 -6.754 11.891 1.00 0.00 C ATOM 0 H VAL A 12 -6.906 -9.715 10.531 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.843 -7.193 9.458 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.270 -8.212 11.716 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.207 -6.030 12.169 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.572 -6.787 10.689 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.738 -5.448 10.573 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.531 -6.448 12.897 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.193 -5.890 11.342 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.599 -7.512 11.951 1.00 0.00 H new ATOM 165 N GLY A 13 -4.766 -8.202 8.862 1.00 0.00 N ATOM 166 CA GLY A 13 -3.638 -8.026 7.962 1.00 0.00 C ATOM 167 C GLY A 13 -4.079 -8.142 6.502 1.00 0.00 C ATOM 168 O GLY A 13 -3.585 -7.415 5.641 1.00 0.00 O ATOM 0 H GLY A 13 -4.632 -8.914 9.580 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.182 -7.051 8.131 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.877 -8.776 8.176 1.00 0.00 H new ATOM 172 N LEU A 14 -5.004 -9.061 6.267 1.00 0.00 N ATOM 173 CA LEU A 14 -5.517 -9.281 4.925 1.00 0.00 C ATOM 174 C LEU A 14 -6.361 -8.077 4.503 1.00 0.00 C ATOM 175 O LEU A 14 -6.372 -7.701 3.332 1.00 0.00 O ATOM 176 CB LEU A 14 -6.265 -10.613 4.849 1.00 0.00 C ATOM 177 CG LEU A 14 -7.447 -10.665 3.879 1.00 0.00 C ATOM 178 CD1 LEU A 14 -6.964 -10.755 2.430 1.00 0.00 C ATOM 179 CD2 LEU A 14 -8.401 -11.806 4.238 1.00 0.00 C ATOM 0 H LEU A 14 -5.412 -9.662 6.983 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.697 -9.362 4.212 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.555 -11.390 4.567 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.628 -10.860 5.847 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.008 -9.735 3.974 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.824 -10.791 1.761 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.357 -9.881 2.194 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.367 -11.658 2.301 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.232 -11.821 3.533 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.867 -12.755 4.190 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.784 -11.656 5.247 1.00 0.00 H new ATOM 191 N GLY A 15 -7.049 -7.505 5.480 1.00 0.00 N ATOM 192 CA GLY A 15 -7.894 -6.351 5.225 1.00 0.00 C ATOM 193 C GLY A 15 -7.052 -5.111 4.918 1.00 0.00 C ATOM 194 O GLY A 15 -7.315 -4.403 3.947 1.00 0.00 O ATOM 0 H GLY A 15 -7.038 -7.819 6.450 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.558 -6.561 4.386 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.526 -6.160 6.092 1.00 0.00 H new ATOM 198 N ALA A 16 -6.057 -4.887 5.764 1.00 0.00 N ATOM 199 CA ALA A 16 -5.175 -3.745 5.595 1.00 0.00 C ATOM 200 C ALA A 16 -4.321 -3.946 4.341 1.00 0.00 C ATOM 201 O ALA A 16 -3.722 -2.998 3.835 1.00 0.00 O ATOM 202 CB ALA A 16 -4.326 -3.565 6.855 1.00 0.00 C ATOM 0 H ALA A 16 -5.842 -5.477 6.568 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.753 -2.831 5.457 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.664 -2.708 6.728 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.978 -3.396 7.712 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.730 -4.462 7.023 1.00 0.00 H new ATOM 208 N LEU A 17 -4.293 -5.186 3.876 1.00 0.00 N ATOM 209 CA LEU A 17 -3.523 -5.524 2.691 1.00 0.00 C ATOM 210 C LEU A 17 -4.210 -4.935 1.457 1.00 0.00 C ATOM 211 O LEU A 17 -3.613 -4.144 0.728 1.00 0.00 O ATOM 212 CB LEU A 17 -3.301 -7.035 2.609 1.00 0.00 C ATOM 213 CG LEU A 17 -2.784 -7.566 1.270 1.00 0.00 C ATOM 214 CD1 LEU A 17 -1.563 -8.466 1.472 1.00 0.00 C ATOM 215 CD2 LEU A 17 -3.896 -8.273 0.494 1.00 0.00 C ATOM 0 H LEU A 17 -4.791 -5.969 4.299 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.528 -5.082 2.744 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.594 -7.321 3.388 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.244 -7.533 2.835 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.462 -6.717 0.667 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.215 -8.830 0.505 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.767 -7.897 1.953 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.835 -9.313 2.102 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.502 -8.641 -0.453 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.272 -9.111 1.080 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.708 -7.572 0.301 1.00 0.00 H new ATOM 227 N GLY A 18 -5.455 -5.343 1.261 1.00 0.00 N ATOM 228 CA GLY A 18 -6.229 -4.866 0.127 1.00 0.00 C ATOM 229 C GLY A 18 -6.725 -3.439 0.365 1.00 0.00 C ATOM 230 O GLY A 18 -6.983 -2.701 -0.585 1.00 0.00 O ATOM 0 H GLY A 18 -5.947 -5.998 1.868 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.617 -4.897 -0.775 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.079 -5.527 -0.042 1.00 0.00 H new ATOM 234 N ALA A 19 -6.845 -3.092 1.638 1.00 0.00 N ATOM 235 CA ALA A 19 -7.307 -1.766 2.012 1.00 0.00 C ATOM 236 C ALA A 19 -6.170 -0.761 1.814 1.00 0.00 C ATOM 237 O ALA A 19 -6.356 0.272 1.172 1.00 0.00 O ATOM 238 CB ALA A 19 -7.818 -1.791 3.454 1.00 0.00 C ATOM 0 H ALA A 19 -6.630 -3.706 2.424 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.137 -1.455 1.377 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -8.165 -0.796 3.735 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.643 -2.499 3.536 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.011 -2.096 4.121 1.00 0.00 H new ATOM 244 N GLY A 20 -5.019 -1.098 2.376 1.00 0.00 N ATOM 245 CA GLY A 20 -3.853 -0.238 2.269 1.00 0.00 C ATOM 246 C GLY A 20 -3.557 0.105 0.808 1.00 0.00 C ATOM 247 O GLY A 20 -3.405 1.275 0.460 1.00 0.00 O ATOM 0 H GLY A 20 -4.869 -1.956 2.907 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.020 0.679 2.835 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.989 -0.734 2.712 1.00 0.00 H new ATOM 251 N ILE A 21 -3.484 -0.937 -0.008 1.00 0.00 N ATOM 252 CA ILE A 21 -3.209 -0.760 -1.424 1.00 0.00 C ATOM 253 C ILE A 21 -4.164 0.288 -1.998 1.00 0.00 C ATOM 254 O ILE A 21 -3.809 1.015 -2.924 1.00 0.00 O ATOM 255 CB ILE A 21 -3.262 -2.105 -2.151 1.00 0.00 C ATOM 256 CG1 ILE A 21 -2.335 -2.107 -3.369 1.00 0.00 C ATOM 257 CG2 ILE A 21 -4.700 -2.470 -2.525 1.00 0.00 C ATOM 258 CD1 ILE A 21 -0.868 -2.191 -2.941 1.00 0.00 C ATOM 0 H ILE A 21 -3.610 -1.906 0.284 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.197 -0.383 -1.572 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.901 -2.876 -1.470 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -2.578 -2.951 -4.014 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.496 -1.202 -3.954 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.709 -3.430 -3.041 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.305 -2.538 -1.621 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.112 -1.702 -3.180 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.230 -2.191 -3.825 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.622 -1.333 -2.316 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.706 -3.109 -2.377 1.00 0.00 H new ATOM 270 N GLY A 22 -5.357 0.332 -1.423 1.00 0.00 N ATOM 271 CA GLY A 22 -6.366 1.280 -1.866 1.00 0.00 C ATOM 272 C GLY A 22 -6.018 2.701 -1.420 1.00 0.00 C ATOM 273 O GLY A 22 -6.307 3.666 -2.126 1.00 0.00 O ATOM 0 H GLY A 22 -5.648 -0.273 -0.655 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.449 1.246 -2.952 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.338 0.996 -1.463 1.00 0.00 H new ATOM 277 N ASN A 23 -5.401 2.785 -0.250 1.00 0.00 N ATOM 278 CA ASN A 23 -5.010 4.072 0.299 1.00 0.00 C ATOM 279 C ASN A 23 -3.902 4.676 -0.567 1.00 0.00 C ATOM 280 O ASN A 23 -3.907 5.875 -0.841 1.00 0.00 O ATOM 281 CB ASN A 23 -4.470 3.923 1.722 1.00 0.00 C ATOM 282 CG ASN A 23 -5.264 4.787 2.704 1.00 0.00 C ATOM 283 OD1 ASN A 23 -6.064 4.304 3.489 1.00 0.00 O ATOM 284 ND2 ASN A 23 -5.000 6.087 2.616 1.00 0.00 N ATOM 0 H ASN A 23 -5.162 1.983 0.333 1.00 0.00 H new ATOM 0 HA ASN A 23 -5.891 4.714 0.313 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -4.523 2.878 2.027 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.419 4.210 1.748 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -5.479 6.747 3.228 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -4.318 6.424 1.936 1.00 0.00 H new ATOM 291 N GLY A 24 -2.978 3.817 -0.972 1.00 0.00 N ATOM 292 CA GLY A 24 -1.866 4.250 -1.801 1.00 0.00 C ATOM 293 C GLY A 24 -2.322 4.514 -3.237 1.00 0.00 C ATOM 294 O GLY A 24 -1.714 5.311 -3.949 1.00 0.00 O ATOM 0 H GLY A 24 -2.977 2.823 -0.741 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.427 5.156 -1.383 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.087 3.488 -1.798 1.00 0.00 H new ATOM 298 N LEU A 25 -3.390 3.829 -3.620 1.00 0.00 N ATOM 299 CA LEU A 25 -3.935 3.979 -4.959 1.00 0.00 C ATOM 300 C LEU A 25 -4.531 5.380 -5.108 1.00 0.00 C ATOM 301 O LEU A 25 -4.422 5.995 -6.167 1.00 0.00 O ATOM 302 CB LEU A 25 -4.925 2.853 -5.263 1.00 0.00 C ATOM 303 CG LEU A 25 -4.316 1.539 -5.755 1.00 0.00 C ATOM 304 CD1 LEU A 25 -5.236 0.357 -5.442 1.00 0.00 C ATOM 305 CD2 LEU A 25 -3.972 1.617 -7.244 1.00 0.00 C ATOM 0 H LEU A 25 -3.892 3.169 -3.027 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.145 3.888 -5.705 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.500 2.648 -4.360 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.629 3.208 -6.016 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.383 1.373 -5.217 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.779 -0.565 -5.802 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.388 0.290 -4.365 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.197 0.503 -5.936 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.541 0.670 -7.568 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.877 1.818 -7.817 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.252 2.419 -7.410 1.00 0.00 H new ATOM 317 N ILE A 26 -5.149 5.843 -4.031 1.00 0.00 N ATOM 318 CA ILE A 26 -5.763 7.159 -4.029 1.00 0.00 C ATOM 319 C ILE A 26 -4.669 8.228 -3.985 1.00 0.00 C ATOM 320 O ILE A 26 -4.816 9.297 -4.575 1.00 0.00 O ATOM 321 CB ILE A 26 -6.780 7.275 -2.892 1.00 0.00 C ATOM 322 CG1 ILE A 26 -7.909 6.255 -3.061 1.00 0.00 C ATOM 323 CG2 ILE A 26 -7.312 8.704 -2.775 1.00 0.00 C ATOM 324 CD1 ILE A 26 -8.685 6.506 -4.355 1.00 0.00 C ATOM 0 H ILE A 26 -5.237 5.330 -3.154 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.327 7.316 -4.948 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.273 7.043 -1.955 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -7.495 5.247 -3.071 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.587 6.313 -2.209 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -8.033 8.758 -1.959 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.485 9.385 -2.574 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.798 8.989 -3.708 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.481 5.768 -4.451 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.118 7.506 -4.331 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -8.009 6.423 -5.206 1.00 0.00 H new ATOM 336 N VAL A 27 -3.595 7.901 -3.281 1.00 0.00 N ATOM 337 CA VAL A 27 -2.476 8.819 -3.152 1.00 0.00 C ATOM 338 C VAL A 27 -1.768 8.945 -4.502 1.00 0.00 C ATOM 339 O VAL A 27 -1.437 10.048 -4.933 1.00 0.00 O ATOM 340 CB VAL A 27 -1.546 8.356 -2.029 1.00 0.00 C ATOM 341 CG1 VAL A 27 -0.487 9.417 -1.722 1.00 0.00 C ATOM 342 CG2 VAL A 27 -2.340 7.994 -0.773 1.00 0.00 C ATOM 0 H VAL A 27 -3.476 7.013 -2.794 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.827 9.813 -2.875 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.031 7.458 -2.370 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.161 9.063 -0.920 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.110 9.605 -2.615 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.976 10.340 -1.412 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.655 7.668 0.009 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.895 8.867 -0.429 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.037 7.188 -1.003 1.00 0.00 H new ATOM 352 N SER A 28 -1.556 7.798 -5.133 1.00 0.00 N ATOM 353 CA SER A 28 -0.893 7.766 -6.425 1.00 0.00 C ATOM 354 C SER A 28 -1.794 8.393 -7.491 1.00 0.00 C ATOM 355 O SER A 28 -1.305 8.943 -8.477 1.00 0.00 O ATOM 356 CB SER A 28 -0.522 6.335 -6.818 1.00 0.00 C ATOM 357 OG SER A 28 -1.645 5.607 -7.306 1.00 0.00 O ATOM 0 H SER A 28 -1.832 6.885 -4.773 1.00 0.00 H new ATOM 0 HA SER A 28 0.028 8.344 -6.351 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.255 6.359 -7.583 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.103 5.819 -5.954 1.00 0.00 H new ATOM 0 HG SER A 28 -2.445 5.861 -6.800 1.00 0.00 H new ATOM 363 N ARG A 29 -3.094 8.288 -7.258 1.00 0.00 N ATOM 364 CA ARG A 29 -4.068 8.837 -8.186 1.00 0.00 C ATOM 365 C ARG A 29 -4.054 10.366 -8.127 1.00 0.00 C ATOM 366 O ARG A 29 -4.174 11.032 -9.154 1.00 0.00 O ATOM 367 CB ARG A 29 -5.477 8.334 -7.868 1.00 0.00 C ATOM 368 CG ARG A 29 -6.013 7.453 -8.998 1.00 0.00 C ATOM 369 CD ARG A 29 -6.465 8.302 -10.188 1.00 0.00 C ATOM 370 NE ARG A 29 -7.794 7.851 -10.656 1.00 0.00 N ATOM 371 CZ ARG A 29 -8.955 8.241 -10.111 1.00 0.00 C ATOM 372 NH1 ARG A 29 -8.956 9.091 -9.076 1.00 0.00 N ATOM 373 NH2 ARG A 29 -10.113 7.780 -10.602 1.00 0.00 N ATOM 0 H ARG A 29 -3.496 7.831 -6.440 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.794 8.506 -9.188 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.463 7.768 -6.936 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.144 9.182 -7.716 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.239 6.755 -9.318 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.850 6.857 -8.633 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.509 9.352 -9.900 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.739 8.224 -10.998 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.829 7.203 -11.443 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.074 9.441 -8.703 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.839 9.388 -8.661 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.111 7.133 -11.390 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.997 8.076 -10.188 1.00 0.00 H new ATOM 387 N THR A 30 -3.906 10.878 -6.914 1.00 0.00 N ATOM 388 CA THR A 30 -3.875 12.316 -6.707 1.00 0.00 C ATOM 389 C THR A 30 -2.502 12.879 -7.079 1.00 0.00 C ATOM 390 O THR A 30 -2.400 13.996 -7.583 1.00 0.00 O ATOM 391 CB THR A 30 -4.273 12.594 -5.256 1.00 0.00 C ATOM 392 OG1 THR A 30 -4.558 13.990 -5.235 1.00 0.00 O ATOM 393 CG2 THR A 30 -3.100 12.439 -4.287 1.00 0.00 C ATOM 0 H THR A 30 -3.806 10.323 -6.064 1.00 0.00 H new ATOM 0 HA THR A 30 -4.587 12.824 -7.357 1.00 0.00 H new ATOM 0 HB THR A 30 -5.076 11.917 -4.965 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.826 14.256 -4.331 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.437 12.647 -3.272 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.716 11.420 -4.340 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.309 13.139 -4.558 1.00 0.00 H new ATOM 401 N ILE A 31 -1.479 12.078 -6.815 1.00 0.00 N ATOM 402 CA ILE A 31 -0.116 12.482 -7.116 1.00 0.00 C ATOM 403 C ILE A 31 0.090 12.478 -8.632 1.00 0.00 C ATOM 404 O ILE A 31 0.685 13.403 -9.184 1.00 0.00 O ATOM 405 CB ILE A 31 0.882 11.606 -6.357 1.00 0.00 C ATOM 406 CG1 ILE A 31 2.038 12.443 -5.805 1.00 0.00 C ATOM 407 CG2 ILE A 31 1.377 10.454 -7.233 1.00 0.00 C ATOM 408 CD1 ILE A 31 1.687 13.025 -4.434 1.00 0.00 C ATOM 0 H ILE A 31 -1.567 11.152 -6.396 1.00 0.00 H new ATOM 0 HA ILE A 31 0.064 13.501 -6.773 1.00 0.00 H new ATOM 0 HB ILE A 31 0.368 11.164 -5.503 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.933 11.826 -5.724 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.270 13.251 -6.499 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.085 9.847 -6.669 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.531 9.837 -7.536 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.868 10.856 -8.119 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.525 13.615 -4.064 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.806 13.661 -4.523 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.479 12.213 -3.737 1.00 0.00 H new ATOM 420 N GLU A 32 -0.412 11.427 -9.262 1.00 0.00 N ATOM 421 CA GLU A 32 -0.291 11.290 -10.704 1.00 0.00 C ATOM 422 C GLU A 32 -1.126 12.359 -11.411 1.00 0.00 C ATOM 423 O GLU A 32 -0.798 12.775 -12.521 1.00 0.00 O ATOM 424 CB GLU A 32 -0.697 9.887 -11.158 1.00 0.00 C ATOM 425 CG GLU A 32 -2.217 9.775 -11.297 1.00 0.00 C ATOM 426 CD GLU A 32 -2.646 9.926 -12.758 1.00 0.00 C ATOM 427 OE1 GLU A 32 -2.589 8.903 -13.475 1.00 0.00 O ATOM 428 OE2 GLU A 32 -3.022 11.060 -13.124 1.00 0.00 O ATOM 0 H GLU A 32 -0.904 10.662 -8.801 1.00 0.00 H new ATOM 0 HA GLU A 32 0.754 11.435 -10.976 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.223 9.658 -12.112 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.338 9.150 -10.439 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.551 8.811 -10.914 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.699 10.543 -10.691 1.00 0.00 H new ATOM 435 N GLY A 33 -2.191 12.773 -10.739 1.00 0.00 N ATOM 436 CA GLY A 33 -3.076 13.785 -11.289 1.00 0.00 C ATOM 437 C GLY A 33 -2.360 15.132 -11.411 1.00 0.00 C ATOM 438 O GLY A 33 -2.485 15.815 -12.426 1.00 0.00 O ATOM 0 H GLY A 33 -2.460 12.426 -9.819 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.432 13.468 -12.269 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.953 13.892 -10.651 1.00 0.00 H new ATOM 442 N ILE A 34 -1.625 15.473 -10.363 1.00 0.00 N ATOM 443 CA ILE A 34 -0.889 16.725 -10.340 1.00 0.00 C ATOM 444 C ILE A 34 0.226 16.676 -11.387 1.00 0.00 C ATOM 445 O ILE A 34 0.630 17.709 -11.919 1.00 0.00 O ATOM 446 CB ILE A 34 -0.391 17.028 -8.926 1.00 0.00 C ATOM 447 CG1 ILE A 34 0.946 16.335 -8.655 1.00 0.00 C ATOM 448 CG2 ILE A 34 -1.448 16.663 -7.882 1.00 0.00 C ATOM 449 CD1 ILE A 34 2.097 17.343 -8.657 1.00 0.00 C ATOM 0 H ILE A 34 -1.523 14.903 -9.523 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.542 17.555 -10.608 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.219 18.101 -8.848 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.907 15.825 -7.693 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.125 15.572 -9.413 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.068 16.888 -6.885 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.354 17.241 -8.064 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.676 15.599 -7.951 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.035 16.824 -8.462 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.149 17.834 -9.629 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.928 18.090 -7.882 1.00 0.00 H new ATOM 461 N ALA A 35 0.692 15.464 -11.653 1.00 0.00 N ATOM 462 CA ALA A 35 1.751 15.266 -12.627 1.00 0.00 C ATOM 463 C ALA A 35 1.191 15.481 -14.034 1.00 0.00 C ATOM 464 O ALA A 35 1.948 15.585 -14.998 1.00 0.00 O ATOM 465 CB ALA A 35 2.357 13.872 -12.447 1.00 0.00 C ATOM 0 H ALA A 35 0.355 14.609 -11.210 1.00 0.00 H new ATOM 0 HA ALA A 35 2.551 15.991 -12.476 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.152 13.724 -13.178 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.767 13.781 -11.441 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.584 13.118 -12.593 1.00 0.00 H new ATOM 471 N ARG A 36 -0.130 15.541 -14.108 1.00 0.00 N ATOM 472 CA ARG A 36 -0.800 15.742 -15.381 1.00 0.00 C ATOM 473 C ARG A 36 -0.286 17.015 -16.057 1.00 0.00 C ATOM 474 O ARG A 36 0.106 16.989 -17.222 1.00 0.00 O ATOM 475 CB ARG A 36 -2.315 15.848 -15.196 1.00 0.00 C ATOM 476 CG ARG A 36 -2.905 14.516 -14.728 1.00 0.00 C ATOM 477 CD ARG A 36 -2.850 13.470 -15.845 1.00 0.00 C ATOM 478 NE ARG A 36 -3.649 13.926 -17.004 1.00 0.00 N ATOM 479 CZ ARG A 36 -3.914 13.169 -18.078 1.00 0.00 C ATOM 480 NH1 ARG A 36 -3.445 11.916 -18.146 1.00 0.00 N ATOM 481 NH2 ARG A 36 -4.647 13.666 -19.083 1.00 0.00 N ATOM 0 H ARG A 36 -0.755 15.454 -13.306 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.581 14.879 -16.010 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.542 16.626 -14.468 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.780 16.145 -16.136 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.354 14.155 -13.859 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -3.938 14.662 -14.412 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.816 13.303 -16.148 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.233 12.517 -15.481 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.021 14.875 -16.984 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.886 11.538 -17.381 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.646 11.340 -18.963 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.003 14.620 -19.031 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.849 13.090 -19.900 1.00 0.00 H new ATOM 495 N GLN A 37 -0.304 18.099 -15.295 1.00 0.00 N ATOM 496 CA GLN A 37 0.155 19.380 -15.805 1.00 0.00 C ATOM 497 C GLN A 37 1.574 19.250 -16.365 1.00 0.00 C ATOM 498 O GLN A 37 2.268 18.274 -16.085 1.00 0.00 O ATOM 499 CB GLN A 37 0.090 20.458 -14.721 1.00 0.00 C ATOM 500 CG GLN A 37 -1.158 21.327 -14.888 1.00 0.00 C ATOM 501 CD GLN A 37 -0.852 22.792 -14.570 1.00 0.00 C ATOM 502 OE1 GLN A 37 -0.367 23.545 -15.399 1.00 0.00 O ATOM 503 NE2 GLN A 37 -1.161 23.153 -13.328 1.00 0.00 N ATOM 0 H GLN A 37 -0.629 18.116 -14.328 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.508 19.686 -16.614 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.083 19.989 -13.737 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.982 21.083 -14.770 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.530 21.243 -15.909 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.948 20.966 -14.230 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -1.565 22.472 -12.684 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -0.995 24.111 -13.019 1.00 0.00 H new ATOM 512 N PRO A 38 1.972 20.275 -17.165 1.00 0.00 N ATOM 513 CA PRO A 38 3.295 20.285 -17.765 1.00 0.00 C ATOM 514 C PRO A 38 4.365 20.633 -16.729 1.00 0.00 C ATOM 515 O PRO A 38 5.447 20.047 -16.727 1.00 0.00 O ATOM 516 CB PRO A 38 3.208 21.302 -18.893 1.00 0.00 C ATOM 517 CG PRO A 38 1.988 22.157 -18.589 1.00 0.00 C ATOM 518 CD PRO A 38 1.176 21.448 -17.517 1.00 0.00 C ATOM 0 HA PRO A 38 3.590 19.308 -18.148 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.110 21.912 -18.940 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.107 20.807 -19.859 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.291 23.146 -18.246 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.389 22.301 -19.488 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.015 22.091 -16.652 1.00 0.00 H new ATOM 0 HD3 PRO A 38 0.192 21.162 -17.889 1.00 0.00 H new ATOM 526 N GLU A 39 4.026 21.585 -15.872 1.00 0.00 N ATOM 527 CA GLU A 39 4.945 22.017 -14.832 1.00 0.00 C ATOM 528 C GLU A 39 5.248 20.861 -13.877 1.00 0.00 C ATOM 529 O GLU A 39 6.188 20.935 -13.087 1.00 0.00 O ATOM 530 CB GLU A 39 4.386 23.223 -14.074 1.00 0.00 C ATOM 531 CG GLU A 39 5.516 24.092 -13.518 1.00 0.00 C ATOM 532 CD GLU A 39 4.980 25.105 -12.503 1.00 0.00 C ATOM 533 OE1 GLU A 39 4.104 25.901 -12.905 1.00 0.00 O ATOM 534 OE2 GLU A 39 5.457 25.059 -11.349 1.00 0.00 O ATOM 0 H GLU A 39 3.128 22.069 -15.876 1.00 0.00 H new ATOM 0 HA GLU A 39 5.878 22.326 -15.304 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.759 23.817 -14.739 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.750 22.881 -13.258 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.267 23.459 -13.044 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.011 24.617 -14.335 1.00 0.00 H new ATOM 541 N LEU A 40 4.435 19.820 -13.982 1.00 0.00 N ATOM 542 CA LEU A 40 4.605 18.650 -13.138 1.00 0.00 C ATOM 543 C LEU A 40 5.014 17.457 -14.003 1.00 0.00 C ATOM 544 O LEU A 40 4.654 16.318 -13.707 1.00 0.00 O ATOM 545 CB LEU A 40 3.345 18.403 -12.306 1.00 0.00 C ATOM 546 CG LEU A 40 2.883 19.566 -11.425 1.00 0.00 C ATOM 547 CD1 LEU A 40 4.079 20.304 -10.820 1.00 0.00 C ATOM 548 CD2 LEU A 40 1.961 20.509 -12.201 1.00 0.00 C ATOM 0 H LEU A 40 3.657 19.763 -14.639 1.00 0.00 H new ATOM 0 HA LEU A 40 5.408 18.812 -12.419 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.532 18.141 -12.983 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.519 17.537 -11.668 1.00 0.00 H new ATOM 0 HG LEU A 40 2.303 19.158 -10.597 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.723 21.126 -10.199 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.662 19.614 -10.210 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.705 20.699 -11.620 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.647 21.327 -11.552 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.494 20.913 -13.061 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.084 19.960 -12.543 1.00 0.00 H new ATOM 560 N ARG A 41 5.761 17.758 -15.055 1.00 0.00 N ATOM 561 CA ARG A 41 6.223 16.724 -15.966 1.00 0.00 C ATOM 562 C ARG A 41 7.119 15.728 -15.227 1.00 0.00 C ATOM 563 O ARG A 41 7.003 14.520 -15.422 1.00 0.00 O ATOM 564 CB ARG A 41 7.002 17.329 -17.136 1.00 0.00 C ATOM 565 CG ARG A 41 6.951 16.412 -18.360 1.00 0.00 C ATOM 566 CD ARG A 41 7.717 15.113 -18.103 1.00 0.00 C ATOM 567 NE ARG A 41 8.525 14.758 -19.291 1.00 0.00 N ATOM 568 CZ ARG A 41 9.366 13.716 -19.343 1.00 0.00 C ATOM 569 NH1 ARG A 41 9.514 12.920 -18.276 1.00 0.00 N ATOM 570 NH2 ARG A 41 10.060 13.471 -20.463 1.00 0.00 N ATOM 0 H ARG A 41 6.058 18.703 -15.297 1.00 0.00 H new ATOM 0 HA ARG A 41 5.345 16.209 -16.356 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.586 18.304 -17.390 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.039 17.492 -16.842 1.00 0.00 H new ATOM 0 HG2 ARG A 41 5.914 16.184 -18.606 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.377 16.926 -19.222 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.365 15.229 -17.234 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.018 14.308 -17.875 1.00 0.00 H new ATOM 0 HE ARG A 41 8.436 15.343 -20.122 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.986 13.107 -17.423 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.154 12.127 -18.316 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.948 14.078 -21.275 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.700 12.678 -20.503 1.00 0.00 H new ATOM 584 N PRO A 42 8.016 16.287 -14.371 1.00 0.00 N ATOM 585 CA PRO A 42 8.931 15.461 -13.601 1.00 0.00 C ATOM 586 C PRO A 42 8.206 14.770 -12.445 1.00 0.00 C ATOM 587 O PRO A 42 8.696 13.781 -11.902 1.00 0.00 O ATOM 588 CB PRO A 42 10.022 16.412 -13.135 1.00 0.00 C ATOM 589 CG PRO A 42 9.439 17.810 -13.264 1.00 0.00 C ATOM 590 CD PRO A 42 8.182 17.715 -14.113 1.00 0.00 C ATOM 0 HA PRO A 42 9.355 14.645 -14.186 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.309 16.202 -12.105 1.00 0.00 H new ATOM 0 HB3 PRO A 42 10.920 16.305 -13.744 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.205 18.218 -12.281 1.00 0.00 H new ATOM 0 HG3 PRO A 42 10.161 18.484 -13.725 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.319 18.126 -13.590 1.00 0.00 H new ATOM 0 HD3 PRO A 42 8.288 18.276 -15.042 1.00 0.00 H new ATOM 598 N VAL A 43 7.050 15.318 -12.102 1.00 0.00 N ATOM 599 CA VAL A 43 6.252 14.767 -11.020 1.00 0.00 C ATOM 600 C VAL A 43 5.837 13.338 -11.375 1.00 0.00 C ATOM 601 O VAL A 43 5.640 12.507 -10.489 1.00 0.00 O ATOM 602 CB VAL A 43 5.060 15.681 -10.730 1.00 0.00 C ATOM 603 CG1 VAL A 43 4.136 15.061 -9.680 1.00 0.00 C ATOM 604 CG2 VAL A 43 5.528 17.072 -10.296 1.00 0.00 C ATOM 0 H VAL A 43 6.647 16.138 -12.554 1.00 0.00 H new ATOM 0 HA VAL A 43 6.837 14.717 -10.102 1.00 0.00 H new ATOM 0 HB VAL A 43 4.491 15.792 -11.653 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.297 15.731 -9.492 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.762 14.104 -10.044 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.690 14.905 -8.754 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.661 17.702 -10.096 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.131 16.987 -9.392 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.126 17.519 -11.090 1.00 0.00 H new ATOM 614 N LEU A 44 5.717 13.096 -12.672 1.00 0.00 N ATOM 615 CA LEU A 44 5.329 11.781 -13.155 1.00 0.00 C ATOM 616 C LEU A 44 6.267 10.728 -12.562 1.00 0.00 C ATOM 617 O LEU A 44 5.815 9.687 -12.086 1.00 0.00 O ATOM 618 CB LEU A 44 5.276 11.766 -14.684 1.00 0.00 C ATOM 619 CG LEU A 44 3.902 12.018 -15.309 1.00 0.00 C ATOM 620 CD1 LEU A 44 3.975 13.125 -16.363 1.00 0.00 C ATOM 621 CD2 LEU A 44 3.312 10.725 -15.875 1.00 0.00 C ATOM 0 H LEU A 44 5.881 13.788 -13.403 1.00 0.00 H new ATOM 0 HA LEU A 44 4.321 11.535 -12.822 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.968 12.520 -15.059 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.639 10.799 -15.031 1.00 0.00 H new ATOM 0 HG LEU A 44 3.227 12.363 -14.525 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.986 13.285 -16.792 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.322 14.048 -15.898 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.669 12.832 -17.151 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.336 10.932 -16.313 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.977 10.327 -16.642 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.203 9.994 -15.074 1.00 0.00 H new ATOM 633 N GLN A 45 7.555 11.034 -12.610 1.00 0.00 N ATOM 634 CA GLN A 45 8.560 10.126 -12.084 1.00 0.00 C ATOM 635 C GLN A 45 8.319 9.873 -10.594 1.00 0.00 C ATOM 636 O GLN A 45 8.566 8.775 -10.100 1.00 0.00 O ATOM 637 CB GLN A 45 9.970 10.669 -12.326 1.00 0.00 C ATOM 638 CG GLN A 45 11.030 9.691 -11.815 1.00 0.00 C ATOM 639 CD GLN A 45 12.334 9.836 -12.601 1.00 0.00 C ATOM 640 OE1 GLN A 45 12.942 10.893 -12.656 1.00 0.00 O ATOM 641 NE2 GLN A 45 12.730 8.719 -13.204 1.00 0.00 N ATOM 0 H GLN A 45 7.926 11.898 -13.005 1.00 0.00 H new ATOM 0 HA GLN A 45 8.476 9.176 -12.613 1.00 0.00 H new ATOM 0 HB2 GLN A 45 10.117 10.846 -13.391 1.00 0.00 H new ATOM 0 HB3 GLN A 45 10.085 11.630 -11.824 1.00 0.00 H new ATOM 0 HG2 GLN A 45 11.217 9.872 -10.757 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.660 8.670 -11.903 1.00 0.00 H new ATOM 0 HE21 GLN A 45 12.174 7.868 -13.117 1.00 0.00 H new ATOM 0 HE22 GLN A 45 13.590 8.713 -13.753 1.00 0.00 H new ATOM 650 N THR A 46 7.839 10.909 -9.921 1.00 0.00 N ATOM 651 CA THR A 46 7.562 10.812 -8.498 1.00 0.00 C ATOM 652 C THR A 46 6.328 9.943 -8.252 1.00 0.00 C ATOM 653 O THR A 46 6.255 9.229 -7.253 1.00 0.00 O ATOM 654 CB THR A 46 7.425 12.233 -7.946 1.00 0.00 C ATOM 655 OG1 THR A 46 8.465 12.331 -6.977 1.00 0.00 O ATOM 656 CG2 THR A 46 6.141 12.424 -7.135 1.00 0.00 C ATOM 0 H THR A 46 7.635 11.819 -10.335 1.00 0.00 H new ATOM 0 HA THR A 46 8.377 10.319 -7.969 1.00 0.00 H new ATOM 0 HB THR A 46 7.444 12.946 -8.770 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.450 13.222 -6.570 1.00 0.00 H new ATOM 0 HG21 THR A 46 6.093 13.449 -6.766 1.00 0.00 H new ATOM 0 HG22 THR A 46 5.277 12.225 -7.769 1.00 0.00 H new ATOM 0 HG23 THR A 46 6.138 11.734 -6.291 1.00 0.00 H new ATOM 664 N THR A 47 5.387 10.031 -9.181 1.00 0.00 N ATOM 665 CA THR A 47 4.159 9.261 -9.079 1.00 0.00 C ATOM 666 C THR A 47 4.408 7.804 -9.474 1.00 0.00 C ATOM 667 O THR A 47 3.753 6.898 -8.962 1.00 0.00 O ATOM 668 CB THR A 47 3.096 9.950 -9.937 1.00 0.00 C ATOM 669 OG1 THR A 47 3.411 9.550 -11.268 1.00 0.00 O ATOM 670 CG2 THR A 47 3.256 11.472 -9.957 1.00 0.00 C ATOM 0 H THR A 47 5.451 10.624 -10.008 1.00 0.00 H new ATOM 0 HA THR A 47 3.797 9.229 -8.051 1.00 0.00 H new ATOM 0 HB THR A 47 2.105 9.694 -9.562 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.342 9.782 -11.468 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.477 11.912 -10.580 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.171 11.860 -8.942 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.234 11.730 -10.363 1.00 0.00 H new ATOM 678 N MET A 48 5.357 7.625 -10.381 1.00 0.00 N ATOM 679 CA MET A 48 5.702 6.294 -10.850 1.00 0.00 C ATOM 680 C MET A 48 6.376 5.479 -9.744 1.00 0.00 C ATOM 681 O MET A 48 6.098 4.292 -9.585 1.00 0.00 O ATOM 682 CB MET A 48 6.644 6.403 -12.051 1.00 0.00 C ATOM 683 CG MET A 48 6.222 5.447 -13.168 1.00 0.00 C ATOM 684 SD MET A 48 7.011 3.861 -12.945 1.00 0.00 S ATOM 685 CE MET A 48 5.820 2.806 -13.754 1.00 0.00 C ATOM 0 H MET A 48 5.898 8.380 -10.804 1.00 0.00 H new ATOM 0 HA MET A 48 4.784 5.784 -11.142 1.00 0.00 H new ATOM 0 HB2 MET A 48 6.645 7.427 -12.425 1.00 0.00 H new ATOM 0 HB3 MET A 48 7.664 6.176 -11.740 1.00 0.00 H new ATOM 0 HG2 MET A 48 5.139 5.327 -13.165 1.00 0.00 H new ATOM 0 HG3 MET A 48 6.494 5.865 -14.137 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.159 1.771 -13.707 1.00 0.00 H new ATOM 0 HE2 MET A 48 4.856 2.895 -13.254 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.717 3.106 -14.797 1.00 0.00 H new ATOM 695 N PHE A 49 7.249 6.151 -9.008 1.00 0.00 N ATOM 696 CA PHE A 49 7.966 5.505 -7.921 1.00 0.00 C ATOM 697 C PHE A 49 7.045 5.266 -6.723 1.00 0.00 C ATOM 698 O PHE A 49 7.201 4.283 -6.001 1.00 0.00 O ATOM 699 CB PHE A 49 9.093 6.451 -7.503 1.00 0.00 C ATOM 700 CG PHE A 49 10.449 6.118 -8.129 1.00 0.00 C ATOM 701 CD1 PHE A 49 10.657 6.330 -9.456 1.00 0.00 C ATOM 702 CD2 PHE A 49 11.447 5.609 -7.357 1.00 0.00 C ATOM 703 CE1 PHE A 49 11.915 6.021 -10.036 1.00 0.00 C ATOM 704 CE2 PHE A 49 12.705 5.299 -7.937 1.00 0.00 C ATOM 705 CZ PHE A 49 12.913 5.512 -9.264 1.00 0.00 C ATOM 0 H PHE A 49 7.476 7.136 -9.143 1.00 0.00 H new ATOM 0 HA PHE A 49 8.348 4.539 -8.250 1.00 0.00 H new ATOM 0 HB2 PHE A 49 8.818 7.470 -7.776 1.00 0.00 H new ATOM 0 HB3 PHE A 49 9.190 6.427 -6.418 1.00 0.00 H new ATOM 0 HD1 PHE A 49 9.865 6.734 -10.069 1.00 0.00 H new ATOM 0 HD2 PHE A 49 11.282 5.441 -6.303 1.00 0.00 H new ATOM 0 HE1 PHE A 49 12.080 6.190 -11.090 1.00 0.00 H new ATOM 0 HE2 PHE A 49 13.497 4.894 -7.324 1.00 0.00 H new ATOM 0 HZ PHE A 49 13.870 5.277 -9.705 1.00 0.00 H new ATOM 715 N ILE A 50 6.105 6.184 -6.548 1.00 0.00 N ATOM 716 CA ILE A 50 5.159 6.086 -5.449 1.00 0.00 C ATOM 717 C ILE A 50 4.205 4.918 -5.706 1.00 0.00 C ATOM 718 O ILE A 50 3.788 4.235 -4.772 1.00 0.00 O ATOM 719 CB ILE A 50 4.449 7.424 -5.233 1.00 0.00 C ATOM 720 CG1 ILE A 50 4.574 7.882 -3.778 1.00 0.00 C ATOM 721 CG2 ILE A 50 2.990 7.350 -5.687 1.00 0.00 C ATOM 722 CD1 ILE A 50 5.977 8.421 -3.492 1.00 0.00 C ATOM 0 H ILE A 50 5.978 6.999 -7.149 1.00 0.00 H new ATOM 0 HA ILE A 50 5.680 5.873 -4.515 1.00 0.00 H new ATOM 0 HB ILE A 50 4.941 8.175 -5.851 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.834 8.655 -3.572 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.358 7.048 -3.110 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.508 8.314 -5.523 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.951 7.101 -6.748 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.469 6.582 -5.115 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.039 8.740 -2.451 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.712 7.638 -3.676 1.00 0.00 H new ATOM 0 HD13 ILE A 50 6.180 9.270 -4.144 1.00 0.00 H new ATOM 734 N GLY A 51 3.886 4.724 -6.978 1.00 0.00 N ATOM 735 CA GLY A 51 2.989 3.650 -7.369 1.00 0.00 C ATOM 736 C GLY A 51 3.588 2.284 -7.029 1.00 0.00 C ATOM 737 O GLY A 51 2.939 1.462 -6.383 1.00 0.00 O ATOM 0 H GLY A 51 4.233 5.293 -7.751 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.032 3.768 -6.861 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.791 3.708 -8.439 1.00 0.00 H new ATOM 741 N VAL A 52 4.818 2.084 -7.478 1.00 0.00 N ATOM 742 CA VAL A 52 5.511 0.832 -7.230 1.00 0.00 C ATOM 743 C VAL A 52 5.601 0.594 -5.721 1.00 0.00 C ATOM 744 O VAL A 52 5.284 -0.492 -5.239 1.00 0.00 O ATOM 745 CB VAL A 52 6.879 0.845 -7.916 1.00 0.00 C ATOM 746 CG1 VAL A 52 7.513 -0.547 -7.901 1.00 0.00 C ATOM 747 CG2 VAL A 52 6.770 1.383 -9.344 1.00 0.00 C ATOM 0 H VAL A 52 5.353 2.769 -8.012 1.00 0.00 H new ATOM 0 HA VAL A 52 4.956 -0.003 -7.658 1.00 0.00 H new ATOM 0 HB VAL A 52 7.530 1.515 -7.354 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.484 -0.510 -8.395 1.00 0.00 H new ATOM 0 HG12 VAL A 52 7.642 -0.877 -6.870 1.00 0.00 H new ATOM 0 HG13 VAL A 52 6.865 -1.248 -8.428 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.756 1.382 -9.809 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.096 0.750 -9.921 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.381 2.401 -9.321 1.00 0.00 H new ATOM 757 N ALA A 53 6.036 1.629 -5.016 1.00 0.00 N ATOM 758 CA ALA A 53 6.172 1.547 -3.572 1.00 0.00 C ATOM 759 C ALA A 53 4.824 1.164 -2.958 1.00 0.00 C ATOM 760 O ALA A 53 4.773 0.432 -1.971 1.00 0.00 O ATOM 761 CB ALA A 53 6.702 2.877 -3.033 1.00 0.00 C ATOM 0 H ALA A 53 6.299 2.529 -5.419 1.00 0.00 H new ATOM 0 HA ALA A 53 6.890 0.775 -3.297 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.804 2.816 -1.950 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.674 3.088 -3.478 1.00 0.00 H new ATOM 0 HB3 ALA A 53 6.006 3.676 -3.287 1.00 0.00 H new ATOM 767 N LEU A 54 3.765 1.676 -3.568 1.00 0.00 N ATOM 768 CA LEU A 54 2.420 1.397 -3.094 1.00 0.00 C ATOM 769 C LEU A 54 2.100 -0.081 -3.323 1.00 0.00 C ATOM 770 O LEU A 54 1.289 -0.663 -2.604 1.00 0.00 O ATOM 771 CB LEU A 54 1.415 2.351 -3.741 1.00 0.00 C ATOM 772 CG LEU A 54 0.344 1.702 -4.620 1.00 0.00 C ATOM 773 CD1 LEU A 54 -0.712 0.997 -3.766 1.00 0.00 C ATOM 774 CD2 LEU A 54 -0.279 2.725 -5.572 1.00 0.00 C ATOM 0 H LEU A 54 3.811 2.283 -4.387 1.00 0.00 H new ATOM 0 HA LEU A 54 2.349 1.577 -2.021 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.917 2.913 -2.951 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.966 3.072 -4.346 1.00 0.00 H new ATOM 0 HG LEU A 54 0.823 0.940 -5.235 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.462 0.544 -4.415 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.236 0.222 -3.165 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.192 1.722 -3.109 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.037 2.237 -6.185 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.740 3.526 -4.994 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.496 3.142 -6.216 1.00 0.00 H new ATOM 786 N VAL A 55 2.754 -0.647 -4.327 1.00 0.00 N ATOM 787 CA VAL A 55 2.549 -2.047 -4.659 1.00 0.00 C ATOM 788 C VAL A 55 3.323 -2.920 -3.670 1.00 0.00 C ATOM 789 O VAL A 55 2.947 -4.065 -3.421 1.00 0.00 O ATOM 790 CB VAL A 55 2.941 -2.301 -6.116 1.00 0.00 C ATOM 791 CG1 VAL A 55 3.186 -3.791 -6.365 1.00 0.00 C ATOM 792 CG2 VAL A 55 1.882 -1.752 -7.073 1.00 0.00 C ATOM 0 H VAL A 55 3.426 -0.162 -4.921 1.00 0.00 H new ATOM 0 HA VAL A 55 1.495 -2.311 -4.569 1.00 0.00 H new ATOM 0 HB VAL A 55 3.873 -1.771 -6.310 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.463 -3.945 -7.408 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.992 -4.140 -5.720 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.277 -4.351 -6.145 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.186 -1.946 -8.102 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.927 -2.241 -6.878 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.777 -0.678 -6.922 1.00 0.00 H new ATOM 802 N GLU A 56 4.390 -2.347 -3.133 1.00 0.00 N ATOM 803 CA GLU A 56 5.221 -3.059 -2.177 1.00 0.00 C ATOM 804 C GLU A 56 4.516 -3.143 -0.821 1.00 0.00 C ATOM 805 O GLU A 56 5.038 -3.743 0.118 1.00 0.00 O ATOM 806 CB GLU A 56 6.593 -2.396 -2.042 1.00 0.00 C ATOM 807 CG GLU A 56 7.478 -2.718 -3.247 1.00 0.00 C ATOM 808 CD GLU A 56 8.960 -2.574 -2.893 1.00 0.00 C ATOM 809 OE1 GLU A 56 9.285 -2.801 -1.708 1.00 0.00 O ATOM 810 OE2 GLU A 56 9.734 -2.239 -3.816 1.00 0.00 O ATOM 0 H GLU A 56 4.698 -1.397 -3.342 1.00 0.00 H new ATOM 0 HA GLU A 56 5.379 -4.072 -2.546 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.472 -1.316 -1.953 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.078 -2.739 -1.128 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.279 -3.734 -3.588 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.231 -2.051 -4.073 1.00 0.00 H new ATOM 817 N ALA A 57 3.342 -2.532 -0.761 1.00 0.00 N ATOM 818 CA ALA A 57 2.561 -2.530 0.464 1.00 0.00 C ATOM 819 C ALA A 57 1.658 -3.765 0.490 1.00 0.00 C ATOM 820 O ALA A 57 1.191 -4.175 1.552 1.00 0.00 O ATOM 821 CB ALA A 57 1.767 -1.226 0.561 1.00 0.00 C ATOM 0 H ALA A 57 2.913 -2.035 -1.541 1.00 0.00 H new ATOM 0 HA ALA A 57 3.214 -2.580 1.335 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.181 -1.224 1.480 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.455 -0.381 0.568 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.098 -1.143 -0.296 1.00 0.00 H new ATOM 827 N LEU A 58 1.440 -4.325 -0.691 1.00 0.00 N ATOM 828 CA LEU A 58 0.601 -5.505 -0.817 1.00 0.00 C ATOM 829 C LEU A 58 1.286 -6.687 -0.128 1.00 0.00 C ATOM 830 O LEU A 58 0.681 -7.362 0.703 1.00 0.00 O ATOM 831 CB LEU A 58 0.257 -5.763 -2.285 1.00 0.00 C ATOM 832 CG LEU A 58 -1.203 -6.115 -2.579 1.00 0.00 C ATOM 833 CD1 LEU A 58 -2.153 -5.140 -1.882 1.00 0.00 C ATOM 834 CD2 LEU A 58 -1.457 -6.185 -4.086 1.00 0.00 C ATOM 0 H LEU A 58 1.830 -3.983 -1.569 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.353 -5.351 -0.313 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.519 -4.875 -2.861 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.886 -6.576 -2.648 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.404 -7.106 -2.172 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.184 -5.413 -2.107 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.993 -5.184 -0.805 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.960 -4.128 -2.236 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.502 -6.437 -4.268 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.233 -5.219 -4.538 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.818 -6.949 -4.528 1.00 0.00 H new ATOM 846 N PRO A 59 2.573 -6.908 -0.510 1.00 0.00 N ATOM 847 CA PRO A 59 3.346 -7.997 0.061 1.00 0.00 C ATOM 848 C PRO A 59 3.790 -7.666 1.487 1.00 0.00 C ATOM 849 O PRO A 59 3.890 -8.554 2.332 1.00 0.00 O ATOM 850 CB PRO A 59 4.513 -8.194 -0.893 1.00 0.00 C ATOM 851 CG PRO A 59 4.607 -6.913 -1.706 1.00 0.00 C ATOM 852 CD PRO A 59 3.322 -6.130 -1.492 1.00 0.00 C ATOM 0 HA PRO A 59 2.768 -8.916 0.158 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.438 -8.378 -0.346 1.00 0.00 H new ATOM 0 HB3 PRO A 59 4.348 -9.056 -1.540 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.469 -6.324 -1.393 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.744 -7.141 -2.763 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.528 -5.124 -1.127 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.764 -6.023 -2.422 1.00 0.00 H new ATOM 860 N ILE A 60 4.044 -6.385 1.711 1.00 0.00 N ATOM 861 CA ILE A 60 4.475 -5.925 3.021 1.00 0.00 C ATOM 862 C ILE A 60 3.397 -6.260 4.054 1.00 0.00 C ATOM 863 O ILE A 60 3.674 -6.924 5.052 1.00 0.00 O ATOM 864 CB ILE A 60 4.841 -4.440 2.973 1.00 0.00 C ATOM 865 CG1 ILE A 60 6.338 -4.253 2.720 1.00 0.00 C ATOM 866 CG2 ILE A 60 4.380 -3.722 4.243 1.00 0.00 C ATOM 867 CD1 ILE A 60 6.661 -2.792 2.398 1.00 0.00 C ATOM 0 H ILE A 60 3.960 -5.651 1.008 1.00 0.00 H new ATOM 0 HA ILE A 60 5.383 -6.444 3.328 1.00 0.00 H new ATOM 0 HB ILE A 60 4.314 -3.984 2.135 1.00 0.00 H new ATOM 0 HG12 ILE A 60 6.901 -4.569 3.598 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.653 -4.890 1.893 1.00 0.00 H new ATOM 0 HG21 ILE A 60 4.652 -2.668 4.184 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.298 -3.813 4.340 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.861 -4.173 5.111 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.732 -2.686 2.222 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.115 -2.487 1.505 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.367 -2.161 3.237 1.00 0.00 H new ATOM 879 N ILE A 61 2.191 -5.787 3.778 1.00 0.00 N ATOM 880 CA ILE A 61 1.070 -6.028 4.672 1.00 0.00 C ATOM 881 C ILE A 61 0.827 -7.534 4.783 1.00 0.00 C ATOM 882 O ILE A 61 0.581 -8.048 5.873 1.00 0.00 O ATOM 883 CB ILE A 61 -0.158 -5.238 4.215 1.00 0.00 C ATOM 884 CG1 ILE A 61 0.181 -3.759 4.022 1.00 0.00 C ATOM 885 CG2 ILE A 61 -1.328 -5.437 5.182 1.00 0.00 C ATOM 886 CD1 ILE A 61 -0.709 -3.128 2.950 1.00 0.00 C ATOM 0 H ILE A 61 1.965 -5.238 2.948 1.00 0.00 H new ATOM 0 HA ILE A 61 1.297 -5.667 5.675 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.471 -5.625 3.245 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.054 -3.227 4.965 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.228 -3.656 3.737 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.188 -4.865 4.835 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.589 -6.495 5.225 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.041 -5.093 6.176 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.447 -2.076 2.833 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.561 -3.647 2.003 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.754 -3.211 3.250 1.00 0.00 H new ATOM 898 N GLY A 62 0.905 -8.200 3.640 1.00 0.00 N ATOM 899 CA GLY A 62 0.696 -9.637 3.595 1.00 0.00 C ATOM 900 C GLY A 62 1.656 -10.360 4.541 1.00 0.00 C ATOM 901 O GLY A 62 1.300 -11.378 5.134 1.00 0.00 O ATOM 0 H GLY A 62 1.110 -7.771 2.738 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.333 -9.867 3.870 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.842 -9.998 2.577 1.00 0.00 H new ATOM 905 N VAL A 63 2.855 -9.807 4.654 1.00 0.00 N ATOM 906 CA VAL A 63 3.868 -10.386 5.518 1.00 0.00 C ATOM 907 C VAL A 63 3.435 -10.235 6.978 1.00 0.00 C ATOM 908 O VAL A 63 3.653 -11.133 7.790 1.00 0.00 O ATOM 909 CB VAL A 63 5.229 -9.748 5.230 1.00 0.00 C ATOM 910 CG1 VAL A 63 6.147 -9.839 6.451 1.00 0.00 C ATOM 911 CG2 VAL A 63 5.884 -10.385 4.003 1.00 0.00 C ATOM 0 H VAL A 63 3.147 -8.963 4.161 1.00 0.00 H new ATOM 0 HA VAL A 63 3.975 -11.452 5.319 1.00 0.00 H new ATOM 0 HB VAL A 63 5.065 -8.693 5.012 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.107 -9.378 6.219 1.00 0.00 H new ATOM 0 HG12 VAL A 63 5.688 -9.318 7.291 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.301 -10.886 6.714 1.00 0.00 H new ATOM 0 HG21 VAL A 63 6.850 -9.914 3.820 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.028 -11.451 4.180 1.00 0.00 H new ATOM 0 HG23 VAL A 63 5.242 -10.245 3.134 1.00 0.00 H new ATOM 921 N VAL A 64 2.829 -9.093 7.267 1.00 0.00 N ATOM 922 CA VAL A 64 2.362 -8.814 8.614 1.00 0.00 C ATOM 923 C VAL A 64 1.337 -9.873 9.025 1.00 0.00 C ATOM 924 O VAL A 64 1.505 -10.542 10.043 1.00 0.00 O ATOM 925 CB VAL A 64 1.813 -7.388 8.692 1.00 0.00 C ATOM 926 CG1 VAL A 64 0.791 -7.255 9.823 1.00 0.00 C ATOM 927 CG2 VAL A 64 2.945 -6.372 8.855 1.00 0.00 C ATOM 0 H VAL A 64 2.651 -8.350 6.591 1.00 0.00 H new ATOM 0 HA VAL A 64 3.188 -8.870 9.323 1.00 0.00 H new ATOM 0 HB VAL A 64 1.304 -7.174 7.752 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.417 -6.232 9.857 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.039 -7.939 9.646 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.266 -7.499 10.773 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.527 -5.367 8.908 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.496 -6.585 9.771 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.620 -6.440 8.002 1.00 0.00 H new ATOM 937 N PHE A 65 0.298 -9.991 8.211 1.00 0.00 N ATOM 938 CA PHE A 65 -0.754 -10.957 8.477 1.00 0.00 C ATOM 939 C PHE A 65 -0.168 -12.342 8.761 1.00 0.00 C ATOM 940 O PHE A 65 -0.609 -13.030 9.680 1.00 0.00 O ATOM 941 CB PHE A 65 -1.621 -11.032 7.218 1.00 0.00 C ATOM 942 CG PHE A 65 -1.824 -12.451 6.685 1.00 0.00 C ATOM 943 CD1 PHE A 65 -2.507 -13.365 7.426 1.00 0.00 C ATOM 944 CD2 PHE A 65 -1.321 -12.800 5.471 1.00 0.00 C ATOM 945 CE1 PHE A 65 -2.695 -14.683 6.931 1.00 0.00 C ATOM 946 CE2 PHE A 65 -1.508 -14.118 4.976 1.00 0.00 C ATOM 947 CZ PHE A 65 -2.191 -15.031 5.717 1.00 0.00 C ATOM 0 H PHE A 65 0.162 -9.434 7.367 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.329 -10.649 9.350 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.595 -10.593 7.434 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.163 -10.424 6.438 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -2.906 -13.088 8.391 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.779 -12.074 4.883 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.238 -15.408 7.519 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.108 -14.395 4.012 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.333 -16.033 5.341 1.00 0.00 H new ATOM 957 N SER A 66 0.816 -12.709 7.954 1.00 0.00 N ATOM 958 CA SER A 66 1.467 -13.999 8.107 1.00 0.00 C ATOM 959 C SER A 66 2.218 -14.052 9.438 1.00 0.00 C ATOM 960 O SER A 66 2.238 -15.087 10.104 1.00 0.00 O ATOM 961 CB SER A 66 2.425 -14.274 6.946 1.00 0.00 C ATOM 962 OG SER A 66 3.718 -13.722 7.178 1.00 0.00 O ATOM 0 H SER A 66 1.178 -12.136 7.192 1.00 0.00 H new ATOM 0 HA SER A 66 0.699 -14.772 8.100 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.512 -15.350 6.795 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.012 -13.856 6.028 1.00 0.00 H new ATOM 0 HG SER A 66 3.664 -12.744 7.159 1.00 0.00 H new ATOM 968 N PHE A 67 2.818 -12.924 9.788 1.00 0.00 N ATOM 969 CA PHE A 67 3.569 -12.828 11.028 1.00 0.00 C ATOM 970 C PHE A 67 2.647 -12.980 12.240 1.00 0.00 C ATOM 971 O PHE A 67 3.047 -13.532 13.264 1.00 0.00 O ATOM 972 CB PHE A 67 4.207 -11.438 11.059 1.00 0.00 C ATOM 973 CG PHE A 67 5.631 -11.419 11.619 1.00 0.00 C ATOM 974 CD1 PHE A 67 5.835 -11.507 12.960 1.00 0.00 C ATOM 975 CD2 PHE A 67 6.692 -11.315 10.774 1.00 0.00 C ATOM 976 CE1 PHE A 67 7.157 -11.490 13.480 1.00 0.00 C ATOM 977 CE2 PHE A 67 8.014 -11.297 11.294 1.00 0.00 C ATOM 978 CZ PHE A 67 8.218 -11.385 12.635 1.00 0.00 C ATOM 0 H PHE A 67 2.799 -12.068 9.234 1.00 0.00 H new ATOM 0 HA PHE A 67 4.317 -13.620 11.072 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.220 -11.033 10.047 1.00 0.00 H new ATOM 0 HB3 PHE A 67 3.583 -10.776 11.659 1.00 0.00 H new ATOM 0 HD1 PHE A 67 4.992 -11.590 13.630 1.00 0.00 H new ATOM 0 HD2 PHE A 67 6.529 -11.246 9.709 1.00 0.00 H new ATOM 0 HE1 PHE A 67 7.320 -11.560 14.545 1.00 0.00 H new ATOM 0 HE2 PHE A 67 8.857 -11.213 10.624 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.223 -11.372 13.030 1.00 0.00 H new ATOM 988 N ILE A 68 1.430 -12.479 12.084 1.00 0.00 N ATOM 989 CA ILE A 68 0.448 -12.552 13.153 1.00 0.00 C ATOM 990 C ILE A 68 0.216 -14.017 13.527 1.00 0.00 C ATOM 991 O ILE A 68 0.384 -14.401 14.684 1.00 0.00 O ATOM 992 CB ILE A 68 -0.829 -11.808 12.758 1.00 0.00 C ATOM 993 CG1 ILE A 68 -0.767 -10.343 13.194 1.00 0.00 C ATOM 994 CG2 ILE A 68 -2.069 -12.518 13.308 1.00 0.00 C ATOM 995 CD1 ILE A 68 0.311 -9.585 12.416 1.00 0.00 C ATOM 0 H ILE A 68 1.102 -12.021 11.234 1.00 0.00 H new ATOM 0 HA ILE A 68 0.819 -12.050 14.047 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.908 -11.817 11.671 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.736 -9.871 13.034 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.558 -10.286 14.262 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.963 -11.969 13.013 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -2.116 -13.531 12.907 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -2.011 -12.561 14.396 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.334 -8.546 12.745 1.00 0.00 H new ATOM 0 HD12 ILE A 68 1.282 -10.045 12.598 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.085 -9.623 11.350 1.00 0.00 H new ATOM 1007 N TYR A 69 -0.167 -14.797 12.526 1.00 0.00 N ATOM 1008 CA TYR A 69 -0.424 -16.212 12.736 1.00 0.00 C ATOM 1009 C TYR A 69 0.751 -16.883 13.450 1.00 0.00 C ATOM 1010 O TYR A 69 0.554 -17.670 14.374 1.00 0.00 O ATOM 1011 CB TYR A 69 -0.576 -16.824 11.342 1.00 0.00 C ATOM 1012 CG TYR A 69 -1.125 -18.252 11.346 1.00 0.00 C ATOM 1013 CD1 TYR A 69 -2.100 -18.614 12.254 1.00 0.00 C ATOM 1014 CD2 TYR A 69 -0.647 -19.178 10.441 1.00 0.00 C ATOM 1015 CE1 TYR A 69 -2.617 -19.957 12.258 1.00 0.00 C ATOM 1016 CE2 TYR A 69 -1.165 -20.521 10.445 1.00 0.00 C ATOM 1017 CZ TYR A 69 -2.124 -20.845 11.353 1.00 0.00 C ATOM 1018 OH TYR A 69 -2.613 -22.114 11.357 1.00 0.00 O ATOM 0 H TYR A 69 -0.305 -14.476 11.568 1.00 0.00 H new ATOM 0 HA TYR A 69 -1.311 -16.354 13.354 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -1.238 -16.193 10.749 1.00 0.00 H new ATOM 0 HB3 TYR A 69 0.395 -16.820 10.847 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -2.475 -17.889 12.961 1.00 0.00 H new ATOM 0 HD2 TYR A 69 0.115 -18.895 9.730 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -3.379 -20.253 12.964 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -0.800 -21.255 9.742 1.00 0.00 H new ATOM 0 HH TYR A 69 -2.170 -22.637 10.657 1.00 0.00 H new ATOM 1028 N LEU A 70 1.949 -16.547 12.993 1.00 0.00 N ATOM 1029 CA LEU A 70 3.156 -17.107 13.576 1.00 0.00 C ATOM 1030 C LEU A 70 3.145 -16.870 15.088 1.00 0.00 C ATOM 1031 O LEU A 70 3.842 -17.557 15.833 1.00 0.00 O ATOM 1032 CB LEU A 70 4.398 -16.551 12.876 1.00 0.00 C ATOM 1033 CG LEU A 70 5.589 -17.504 12.765 1.00 0.00 C ATOM 1034 CD1 LEU A 70 5.599 -18.214 11.410 1.00 0.00 C ATOM 1035 CD2 LEU A 70 6.904 -16.772 13.038 1.00 0.00 C ATOM 0 H LEU A 70 2.109 -15.894 12.226 1.00 0.00 H new ATOM 0 HA LEU A 70 3.188 -18.186 13.422 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.114 -16.237 11.871 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.722 -15.657 13.410 1.00 0.00 H new ATOM 0 HG LEU A 70 5.483 -18.273 13.530 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.456 -18.886 11.357 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.680 -18.789 11.293 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.668 -17.474 10.612 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.735 -17.472 12.953 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.031 -15.969 12.312 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.885 -16.353 14.044 1.00 0.00 H new ATOM 1047 N GLY A 71 2.345 -15.895 15.496 1.00 0.00 N ATOM 1048 CA GLY A 71 2.234 -15.559 16.905 1.00 0.00 C ATOM 1049 C GLY A 71 2.768 -14.151 17.176 1.00 0.00 C ATOM 1050 O GLY A 71 3.153 -13.835 18.301 1.00 0.00 O ATOM 0 H GLY A 71 1.768 -15.327 14.875 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.192 -15.623 17.217 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.790 -16.284 17.500 1.00 0.00 H new ATOM 1054 N ARG A 72 2.773 -13.342 16.127 1.00 0.00 N ATOM 1055 CA ARG A 72 3.253 -11.975 16.238 1.00 0.00 C ATOM 1056 C ARG A 72 4.757 -11.962 16.514 1.00 0.00 C ATOM 1057 O ARG A 72 5.190 -12.256 17.627 1.00 0.00 O ATOM 1058 CB ARG A 72 2.528 -11.227 17.358 1.00 0.00 C ATOM 1059 CG ARG A 72 1.469 -10.280 16.790 1.00 0.00 C ATOM 1060 CD ARG A 72 0.059 -10.817 17.044 1.00 0.00 C ATOM 1061 NE ARG A 72 -0.744 -9.807 17.769 1.00 0.00 N ATOM 1062 CZ ARG A 72 -0.705 -9.628 19.096 1.00 0.00 C ATOM 1063 NH1 ARG A 72 0.097 -10.390 19.852 1.00 0.00 N ATOM 1064 NH2 ARG A 72 -1.470 -8.688 19.668 1.00 0.00 N ATOM 0 H ARG A 72 2.452 -13.607 15.196 1.00 0.00 H new ATOM 0 HA ARG A 72 3.050 -11.473 15.292 1.00 0.00 H new ATOM 0 HB2 ARG A 72 2.057 -11.942 18.032 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.249 -10.660 17.947 1.00 0.00 H new ATOM 0 HG2 ARG A 72 1.574 -9.296 17.246 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.626 -10.154 15.719 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.421 -11.064 16.097 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.111 -11.738 17.625 1.00 0.00 H new ATOM 0 HE ARG A 72 -1.366 -9.210 17.224 1.00 0.00 H new ATOM 0 HH11 ARG A 72 0.678 -11.107 19.417 1.00 0.00 H new ATOM 0 HH12 ARG A 72 0.126 -10.253 20.862 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.082 -8.109 19.093 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -1.440 -8.552 20.678 1.00 0.00 H new