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= -0.431 X(o=-0.43,f=-0.027) USER MOD Single : A 28 SER OG : rot -40:sc= 0.17 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -1.35 K(o=-1.3,f=-2.9) USER MOD Single : A 45 GLN : amide:sc= -0.0878 K(o=-0.088,f=-0.62) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -60:sc= 0.155 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 84:sc= 1.26 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N SER A 2 -4.959 -14.573 22.706 1.00 0.00 N ATOM 19 CA SER A 2 -5.802 -15.745 22.543 1.00 0.00 C ATOM 20 C SER A 2 -5.697 -16.270 21.110 1.00 0.00 C ATOM 21 O SER A 2 -4.838 -15.833 20.346 1.00 0.00 O ATOM 22 CB SER A 2 -7.258 -15.428 22.888 1.00 0.00 C ATOM 23 OG SER A 2 -7.897 -16.512 23.556 1.00 0.00 O ATOM 0 HA SER A 2 -5.454 -16.515 23.231 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.296 -14.540 23.519 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.804 -15.193 21.974 1.00 0.00 H new ATOM 0 HG SER A 2 -8.824 -16.269 23.760 1.00 0.00 H new ATOM 29 N LEU A 3 -6.584 -17.201 20.789 1.00 0.00 N ATOM 30 CA LEU A 3 -6.602 -17.790 19.460 1.00 0.00 C ATOM 31 C LEU A 3 -7.590 -17.022 18.580 1.00 0.00 C ATOM 32 O LEU A 3 -7.355 -16.844 17.386 1.00 0.00 O ATOM 33 CB LEU A 3 -6.890 -19.290 19.544 1.00 0.00 C ATOM 34 CG LEU A 3 -5.667 -20.203 19.646 1.00 0.00 C ATOM 35 CD1 LEU A 3 -5.313 -20.485 21.108 1.00 0.00 C ATOM 36 CD2 LEU A 3 -5.876 -21.492 18.848 1.00 0.00 C ATOM 0 H LEU A 3 -7.295 -17.562 21.425 1.00 0.00 H new ATOM 0 HA LEU A 3 -5.622 -17.702 18.990 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.526 -19.470 20.411 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.463 -19.580 18.663 1.00 0.00 H new ATOM 0 HG LEU A 3 -4.817 -19.685 19.203 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -4.440 -21.136 21.152 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.091 -19.547 21.616 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -6.155 -20.973 21.599 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -4.992 -22.123 18.938 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.743 -22.025 19.238 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -6.042 -21.248 17.799 1.00 0.00 H new ATOM 48 N GLY A 4 -8.676 -16.588 19.204 1.00 0.00 N ATOM 49 CA GLY A 4 -9.700 -15.844 18.492 1.00 0.00 C ATOM 50 C GLY A 4 -9.172 -14.482 18.036 1.00 0.00 C ATOM 51 O GLY A 4 -9.304 -14.120 16.868 1.00 0.00 O ATOM 0 H GLY A 4 -8.868 -16.738 20.194 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.035 -16.416 17.627 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.568 -15.704 19.137 1.00 0.00 H new ATOM 55 N VAL A 5 -8.585 -13.764 18.982 1.00 0.00 N ATOM 56 CA VAL A 5 -8.036 -12.450 18.692 1.00 0.00 C ATOM 57 C VAL A 5 -6.948 -12.581 17.625 1.00 0.00 C ATOM 58 O VAL A 5 -6.679 -11.633 16.888 1.00 0.00 O ATOM 59 CB VAL A 5 -7.533 -11.797 19.982 1.00 0.00 C ATOM 60 CG1 VAL A 5 -6.378 -12.598 20.587 1.00 0.00 C ATOM 61 CG2 VAL A 5 -7.123 -10.344 19.736 1.00 0.00 C ATOM 0 H VAL A 5 -8.477 -14.067 19.950 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.808 -11.793 18.290 1.00 0.00 H new ATOM 0 HB VAL A 5 -8.353 -11.797 20.700 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -6.039 -12.113 21.502 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.717 -13.609 20.816 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -5.554 -12.644 19.874 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -6.769 -9.903 20.668 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -6.325 -10.312 18.994 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.982 -9.781 19.371 1.00 0.00 H new ATOM 71 N LEU A 6 -6.351 -13.763 17.575 1.00 0.00 N ATOM 72 CA LEU A 6 -5.298 -14.030 16.610 1.00 0.00 C ATOM 73 C LEU A 6 -5.883 -13.979 15.197 1.00 0.00 C ATOM 74 O LEU A 6 -5.365 -13.274 14.332 1.00 0.00 O ATOM 75 CB LEU A 6 -4.593 -15.348 16.936 1.00 0.00 C ATOM 76 CG LEU A 6 -3.361 -15.677 16.092 1.00 0.00 C ATOM 77 CD1 LEU A 6 -2.761 -17.024 16.498 1.00 0.00 C ATOM 78 CD2 LEU A 6 -3.689 -15.622 14.598 1.00 0.00 C ATOM 0 H LEU A 6 -6.577 -14.547 18.187 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.527 -13.261 16.665 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.296 -15.328 17.984 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.312 -16.159 16.824 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.603 -14.917 16.284 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.886 -17.233 15.882 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.466 -16.990 17.547 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.502 -17.810 16.355 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.796 -15.860 14.020 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.472 -16.346 14.370 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.034 -14.621 14.338 1.00 0.00 H new ATOM 90 N ALA A 7 -6.954 -14.735 15.007 1.00 0.00 N ATOM 91 CA ALA A 7 -7.615 -14.784 13.714 1.00 0.00 C ATOM 92 C ALA A 7 -8.019 -13.369 13.297 1.00 0.00 C ATOM 93 O ALA A 7 -8.047 -13.051 12.109 1.00 0.00 O ATOM 94 CB ALA A 7 -8.812 -15.735 13.788 1.00 0.00 C ATOM 0 H ALA A 7 -7.381 -15.319 15.727 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.938 -15.170 12.952 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.308 -15.772 12.818 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.467 -16.733 14.057 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -9.514 -15.378 14.541 1.00 0.00 H new ATOM 100 N ALA A 8 -8.322 -12.556 14.299 1.00 0.00 N ATOM 101 CA ALA A 8 -8.724 -11.181 14.052 1.00 0.00 C ATOM 102 C ALA A 8 -7.522 -10.389 13.534 1.00 0.00 C ATOM 103 O ALA A 8 -7.681 -9.452 12.753 1.00 0.00 O ATOM 104 CB ALA A 8 -9.310 -10.583 15.332 1.00 0.00 C ATOM 0 H ALA A 8 -8.297 -12.823 15.283 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.500 -11.138 13.288 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.611 -9.552 15.147 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.178 -11.165 15.641 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.558 -10.605 16.121 1.00 0.00 H new ATOM 110 N ALA A 9 -6.345 -10.794 13.990 1.00 0.00 N ATOM 111 CA ALA A 9 -5.117 -10.133 13.584 1.00 0.00 C ATOM 112 C ALA A 9 -4.810 -10.488 12.127 1.00 0.00 C ATOM 113 O ALA A 9 -4.196 -9.701 11.409 1.00 0.00 O ATOM 114 CB ALA A 9 -3.984 -10.531 14.532 1.00 0.00 C ATOM 0 H ALA A 9 -6.217 -11.572 14.637 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.226 -9.050 13.644 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -3.063 -10.035 14.227 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.238 -10.231 15.549 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.843 -11.611 14.497 1.00 0.00 H new ATOM 120 N ILE A 10 -5.252 -11.674 11.735 1.00 0.00 N ATOM 121 CA ILE A 10 -5.033 -12.143 10.377 1.00 0.00 C ATOM 122 C ILE A 10 -6.050 -11.483 9.444 1.00 0.00 C ATOM 123 O ILE A 10 -5.674 -10.859 8.452 1.00 0.00 O ATOM 124 CB ILE A 10 -5.054 -13.672 10.329 1.00 0.00 C ATOM 125 CG1 ILE A 10 -3.643 -14.245 10.472 1.00 0.00 C ATOM 126 CG2 ILE A 10 -5.749 -14.170 9.060 1.00 0.00 C ATOM 127 CD1 ILE A 10 -3.540 -15.148 11.703 1.00 0.00 C ATOM 0 H ILE A 10 -5.761 -12.324 12.334 1.00 0.00 H new ATOM 0 HA ILE A 10 -4.043 -11.850 10.027 1.00 0.00 H new ATOM 0 HB ILE A 10 -5.635 -14.033 11.178 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.385 -14.812 9.578 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.923 -13.431 10.552 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.751 -15.260 9.050 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -6.776 -13.805 9.041 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -5.216 -13.800 8.184 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.527 -15.542 11.781 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.775 -14.572 12.598 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.245 -15.974 11.608 1.00 0.00 H new ATOM 139 N ALA A 11 -7.317 -11.644 9.793 1.00 0.00 N ATOM 140 CA ALA A 11 -8.391 -11.072 8.999 1.00 0.00 C ATOM 141 C ALA A 11 -8.143 -9.574 8.817 1.00 0.00 C ATOM 142 O ALA A 11 -8.626 -8.972 7.859 1.00 0.00 O ATOM 143 CB ALA A 11 -9.734 -11.363 9.671 1.00 0.00 C ATOM 0 H ALA A 11 -7.625 -12.163 10.616 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.418 -11.524 8.008 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.540 -10.934 9.075 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.875 -12.441 9.750 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.745 -10.922 10.668 1.00 0.00 H new ATOM 149 N VAL A 12 -7.389 -9.013 9.752 1.00 0.00 N ATOM 150 CA VAL A 12 -7.071 -7.596 9.708 1.00 0.00 C ATOM 151 C VAL A 12 -5.935 -7.365 8.709 1.00 0.00 C ATOM 152 O VAL A 12 -5.949 -6.386 7.964 1.00 0.00 O ATOM 153 CB VAL A 12 -6.744 -7.089 11.113 1.00 0.00 C ATOM 154 CG1 VAL A 12 -5.677 -5.992 11.066 1.00 0.00 C ATOM 155 CG2 VAL A 12 -8.005 -6.597 11.826 1.00 0.00 C ATOM 0 H VAL A 12 -6.989 -9.515 10.545 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.931 -7.022 9.363 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.340 -7.925 11.685 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.463 -5.649 12.078 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.766 -6.389 10.617 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.041 -5.156 10.469 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.744 -6.242 12.823 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.451 -5.782 11.256 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.720 -7.416 11.908 1.00 0.00 H new ATOM 165 N GLY A 13 -4.979 -8.282 8.725 1.00 0.00 N ATOM 166 CA GLY A 13 -3.838 -8.190 7.830 1.00 0.00 C ATOM 167 C GLY A 13 -4.270 -8.360 6.372 1.00 0.00 C ATOM 168 O GLY A 13 -3.677 -7.767 5.472 1.00 0.00 O ATOM 0 H GLY A 13 -4.971 -9.093 9.344 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.348 -7.225 7.958 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -3.106 -8.956 8.088 1.00 0.00 H new ATOM 172 N LEU A 14 -5.300 -9.173 6.184 1.00 0.00 N ATOM 173 CA LEU A 14 -5.818 -9.428 4.851 1.00 0.00 C ATOM 174 C LEU A 14 -6.628 -8.218 4.383 1.00 0.00 C ATOM 175 O LEU A 14 -6.533 -7.813 3.225 1.00 0.00 O ATOM 176 CB LEU A 14 -6.602 -10.742 4.824 1.00 0.00 C ATOM 177 CG LEU A 14 -5.922 -11.943 5.484 1.00 0.00 C ATOM 178 CD1 LEU A 14 -6.949 -13.006 5.878 1.00 0.00 C ATOM 179 CD2 LEU A 14 -4.823 -12.513 4.585 1.00 0.00 C ATOM 0 H LEU A 14 -5.789 -9.663 6.933 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.000 -9.557 4.142 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.562 -10.579 5.314 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.813 -10.995 3.785 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.443 -11.603 6.402 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.439 -13.849 6.345 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -7.663 -12.579 6.582 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.477 -13.349 4.988 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.356 -13.366 5.078 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.257 -12.834 3.638 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.072 -11.746 4.398 1.00 0.00 H new ATOM 191 N GLY A 15 -7.408 -7.675 5.306 1.00 0.00 N ATOM 192 CA GLY A 15 -8.234 -6.519 5.002 1.00 0.00 C ATOM 193 C GLY A 15 -7.373 -5.283 4.738 1.00 0.00 C ATOM 194 O GLY A 15 -7.620 -4.541 3.789 1.00 0.00 O ATOM 0 H GLY A 15 -7.485 -8.014 6.265 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.852 -6.729 4.129 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.912 -6.323 5.833 1.00 0.00 H new ATOM 198 N ALA A 16 -6.379 -5.100 5.595 1.00 0.00 N ATOM 199 CA ALA A 16 -5.479 -3.966 5.466 1.00 0.00 C ATOM 200 C ALA A 16 -4.534 -4.202 4.287 1.00 0.00 C ATOM 201 O ALA A 16 -3.916 -3.265 3.784 1.00 0.00 O ATOM 202 CB ALA A 16 -4.728 -3.758 6.783 1.00 0.00 C ATOM 0 H ALA A 16 -6.177 -5.718 6.381 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.039 -3.053 5.262 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.053 -2.908 6.687 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.443 -3.565 7.583 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.153 -4.653 7.019 1.00 0.00 H new ATOM 208 N LEU A 17 -4.450 -5.460 3.879 1.00 0.00 N ATOM 209 CA LEU A 17 -3.591 -5.832 2.768 1.00 0.00 C ATOM 210 C LEU A 17 -4.141 -5.223 1.477 1.00 0.00 C ATOM 211 O LEU A 17 -3.453 -4.455 0.806 1.00 0.00 O ATOM 212 CB LEU A 17 -3.420 -7.351 2.707 1.00 0.00 C ATOM 213 CG LEU A 17 -3.095 -7.935 1.331 1.00 0.00 C ATOM 214 CD1 LEU A 17 -1.790 -8.734 1.368 1.00 0.00 C ATOM 215 CD2 LEU A 17 -4.262 -8.768 0.799 1.00 0.00 C ATOM 0 H LEU A 17 -4.963 -6.235 4.299 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.589 -5.427 2.910 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.626 -7.635 3.397 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.338 -7.815 3.069 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.947 -7.108 0.636 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.583 -9.138 0.377 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.972 -8.081 1.672 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.885 -9.553 2.081 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.004 -9.171 -0.180 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.467 -9.588 1.487 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.148 -8.139 0.711 1.00 0.00 H new ATOM 227 N GLY A 18 -5.377 -5.588 1.168 1.00 0.00 N ATOM 228 CA GLY A 18 -6.028 -5.087 -0.030 1.00 0.00 C ATOM 229 C GLY A 18 -6.510 -3.648 0.168 1.00 0.00 C ATOM 230 O GLY A 18 -6.518 -2.857 -0.774 1.00 0.00 O ATOM 0 H GLY A 18 -5.945 -6.225 1.727 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.334 -5.130 -0.870 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.874 -5.726 -0.283 1.00 0.00 H new ATOM 234 N ALA A 19 -6.901 -3.354 1.399 1.00 0.00 N ATOM 235 CA ALA A 19 -7.384 -2.024 1.733 1.00 0.00 C ATOM 236 C ALA A 19 -6.227 -1.027 1.636 1.00 0.00 C ATOM 237 O ALA A 19 -6.418 0.110 1.207 1.00 0.00 O ATOM 238 CB ALA A 19 -8.019 -2.047 3.125 1.00 0.00 C ATOM 0 H ALA A 19 -6.893 -4.013 2.177 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.153 -1.706 1.029 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -8.381 -1.050 3.376 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.853 -2.749 3.133 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.276 -2.358 3.859 1.00 0.00 H new ATOM 244 N GLY A 20 -5.054 -1.489 2.042 1.00 0.00 N ATOM 245 CA GLY A 20 -3.867 -0.652 2.006 1.00 0.00 C ATOM 246 C GLY A 20 -3.501 -0.280 0.567 1.00 0.00 C ATOM 247 O GLY A 20 -3.377 0.899 0.240 1.00 0.00 O ATOM 0 H GLY A 20 -4.900 -2.432 2.398 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.039 0.254 2.587 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.033 -1.177 2.473 1.00 0.00 H new ATOM 251 N ILE A 21 -3.340 -1.308 -0.253 1.00 0.00 N ATOM 252 CA ILE A 21 -2.991 -1.105 -1.649 1.00 0.00 C ATOM 253 C ILE A 21 -4.011 -0.163 -2.292 1.00 0.00 C ATOM 254 O ILE A 21 -3.690 0.549 -3.243 1.00 0.00 O ATOM 255 CB ILE A 21 -2.855 -2.448 -2.368 1.00 0.00 C ATOM 256 CG1 ILE A 21 -1.678 -2.429 -3.346 1.00 0.00 C ATOM 257 CG2 ILE A 21 -4.165 -2.837 -3.056 1.00 0.00 C ATOM 258 CD1 ILE A 21 -2.111 -1.900 -4.715 1.00 0.00 C ATOM 0 H ILE A 21 -3.445 -2.284 0.023 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.016 -0.625 -1.733 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.643 -3.215 -1.623 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.879 -1.804 -2.947 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -1.273 -3.435 -3.453 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.041 -3.796 -3.560 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -4.957 -2.918 -2.311 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -4.432 -2.075 -3.788 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.256 -1.897 -5.391 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -2.893 -2.541 -5.122 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.493 -0.885 -4.609 1.00 0.00 H new ATOM 270 N GLY A 22 -5.219 -0.189 -1.748 1.00 0.00 N ATOM 271 CA GLY A 22 -6.287 0.653 -2.257 1.00 0.00 C ATOM 272 C GLY A 22 -6.063 2.117 -1.871 1.00 0.00 C ATOM 273 O GLY A 22 -6.376 3.021 -2.644 1.00 0.00 O ATOM 0 H GLY A 22 -5.481 -0.780 -0.959 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.340 0.563 -3.342 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.244 0.311 -1.862 1.00 0.00 H new ATOM 277 N ASN A 23 -5.524 2.304 -0.676 1.00 0.00 N ATOM 278 CA ASN A 23 -5.254 3.642 -0.177 1.00 0.00 C ATOM 279 C ASN A 23 -4.070 4.237 -0.943 1.00 0.00 C ATOM 280 O ASN A 23 -3.983 5.453 -1.110 1.00 0.00 O ATOM 281 CB ASN A 23 -4.890 3.613 1.308 1.00 0.00 C ATOM 282 CG ASN A 23 -4.969 5.014 1.919 1.00 0.00 C ATOM 283 OD1 ASN A 23 -4.029 5.514 2.513 1.00 0.00 O ATOM 284 ND2 ASN A 23 -6.142 5.616 1.741 1.00 0.00 N ATOM 0 H ASN A 23 -5.267 1.551 -0.038 1.00 0.00 H new ATOM 0 HA ASN A 23 -6.153 4.242 -0.316 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -5.566 2.942 1.839 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.883 3.215 1.432 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -6.296 6.554 2.112 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -6.888 5.140 1.233 1.00 0.00 H new ATOM 291 N GLY A 24 -3.189 3.353 -1.387 1.00 0.00 N ATOM 292 CA GLY A 24 -2.015 3.776 -2.131 1.00 0.00 C ATOM 293 C GLY A 24 -2.380 4.146 -3.570 1.00 0.00 C ATOM 294 O GLY A 24 -1.771 5.036 -4.160 1.00 0.00 O ATOM 0 H GLY A 24 -3.265 2.346 -1.246 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.556 4.633 -1.637 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.275 2.976 -2.134 1.00 0.00 H new ATOM 298 N LEU A 25 -3.374 3.443 -4.093 1.00 0.00 N ATOM 299 CA LEU A 25 -3.828 3.686 -5.451 1.00 0.00 C ATOM 300 C LEU A 25 -4.524 5.047 -5.516 1.00 0.00 C ATOM 301 O LEU A 25 -4.425 5.751 -6.520 1.00 0.00 O ATOM 302 CB LEU A 25 -4.699 2.527 -5.941 1.00 0.00 C ATOM 303 CG LEU A 25 -3.967 1.213 -6.227 1.00 0.00 C ATOM 304 CD1 LEU A 25 -4.835 0.010 -5.855 1.00 0.00 C ATOM 305 CD2 LEU A 25 -3.499 1.153 -7.683 1.00 0.00 C ATOM 0 H LEU A 25 -3.877 2.705 -3.600 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.979 3.728 -6.134 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.469 2.336 -5.194 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.209 2.841 -6.851 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.077 1.174 -5.600 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.292 -0.911 -6.068 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.078 0.051 -4.793 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.755 0.031 -6.438 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.982 0.210 -7.860 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.362 1.224 -8.346 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.820 1.982 -7.881 1.00 0.00 H new ATOM 317 N ILE A 26 -5.212 5.376 -4.433 1.00 0.00 N ATOM 318 CA ILE A 26 -5.924 6.641 -4.355 1.00 0.00 C ATOM 319 C ILE A 26 -4.914 7.783 -4.227 1.00 0.00 C ATOM 320 O ILE A 26 -5.136 8.874 -4.751 1.00 0.00 O ATOM 321 CB ILE A 26 -6.957 6.605 -3.227 1.00 0.00 C ATOM 322 CG1 ILE A 26 -8.071 5.602 -3.535 1.00 0.00 C ATOM 323 CG2 ILE A 26 -7.508 8.003 -2.943 1.00 0.00 C ATOM 324 CD1 ILE A 26 -8.656 5.843 -4.928 1.00 0.00 C ATOM 0 H ILE A 26 -5.292 4.789 -3.602 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.490 6.817 -5.270 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.459 6.265 -2.319 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -7.679 4.587 -3.472 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.859 5.687 -2.786 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -8.240 7.949 -2.137 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.692 8.663 -2.648 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.985 8.395 -3.841 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.445 5.117 -5.122 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.069 6.850 -4.980 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -7.871 5.734 -5.676 1.00 0.00 H new ATOM 336 N VAL A 27 -3.826 7.493 -3.529 1.00 0.00 N ATOM 337 CA VAL A 27 -2.781 8.482 -3.326 1.00 0.00 C ATOM 338 C VAL A 27 -2.026 8.695 -4.639 1.00 0.00 C ATOM 339 O VAL A 27 -1.829 9.831 -5.068 1.00 0.00 O ATOM 340 CB VAL A 27 -1.870 8.051 -2.175 1.00 0.00 C ATOM 341 CG1 VAL A 27 -0.817 9.122 -1.880 1.00 0.00 C ATOM 342 CG2 VAL A 27 -2.685 7.725 -0.923 1.00 0.00 C ATOM 0 H VAL A 27 -3.645 6.587 -3.097 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.212 9.441 -3.040 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.350 7.144 -2.481 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.182 8.791 -1.058 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.206 9.285 -2.768 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.312 10.053 -1.604 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.013 7.421 -0.120 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.245 8.607 -0.613 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.379 6.913 -1.142 1.00 0.00 H new ATOM 352 N SER A 28 -1.623 7.586 -5.241 1.00 0.00 N ATOM 353 CA SER A 28 -0.893 7.637 -6.496 1.00 0.00 C ATOM 354 C SER A 28 -1.762 8.277 -7.581 1.00 0.00 C ATOM 355 O SER A 28 -1.246 8.892 -8.512 1.00 0.00 O ATOM 356 CB SER A 28 -0.445 6.241 -6.930 1.00 0.00 C ATOM 357 OG SER A 28 -1.489 5.523 -7.582 1.00 0.00 O ATOM 0 H SER A 28 -1.788 6.646 -4.882 1.00 0.00 H new ATOM 0 HA SER A 28 -0.001 8.245 -6.348 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.410 6.327 -7.601 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.110 5.680 -6.057 1.00 0.00 H new ATOM 0 HG SER A 28 -2.337 5.687 -7.119 1.00 0.00 H new ATOM 363 N ARG A 29 -3.067 8.110 -7.424 1.00 0.00 N ATOM 364 CA ARG A 29 -4.013 8.663 -8.378 1.00 0.00 C ATOM 365 C ARG A 29 -3.972 10.192 -8.341 1.00 0.00 C ATOM 366 O ARG A 29 -3.876 10.840 -9.382 1.00 0.00 O ATOM 367 CB ARG A 29 -5.437 8.191 -8.079 1.00 0.00 C ATOM 368 CG ARG A 29 -6.001 7.377 -9.245 1.00 0.00 C ATOM 369 CD ARG A 29 -6.506 8.294 -10.360 1.00 0.00 C ATOM 370 NE ARG A 29 -7.809 7.806 -10.866 1.00 0.00 N ATOM 371 CZ ARG A 29 -8.573 8.475 -11.741 1.00 0.00 C ATOM 372 NH1 ARG A 29 -8.170 9.663 -12.211 1.00 0.00 N ATOM 373 NH2 ARG A 29 -9.740 7.955 -12.144 1.00 0.00 N ATOM 0 H ARG A 29 -3.492 7.599 -6.650 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.727 8.312 -9.369 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.440 7.585 -7.173 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.077 9.053 -7.889 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.230 6.713 -9.636 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.816 6.745 -8.892 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.610 9.312 -9.985 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.780 8.326 -11.172 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.146 6.905 -10.528 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.282 10.059 -11.903 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.751 10.172 -12.877 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.047 7.051 -11.785 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.322 8.463 -12.810 1.00 0.00 H new ATOM 387 N THR A 30 -4.045 10.725 -7.130 1.00 0.00 N ATOM 388 CA THR A 30 -4.018 12.166 -6.943 1.00 0.00 C ATOM 389 C THR A 30 -2.613 12.711 -7.207 1.00 0.00 C ATOM 390 O THR A 30 -2.456 13.857 -7.625 1.00 0.00 O ATOM 391 CB THR A 30 -4.532 12.470 -5.535 1.00 0.00 C ATOM 392 OG1 THR A 30 -4.471 13.891 -5.442 1.00 0.00 O ATOM 393 CG2 THR A 30 -3.576 11.984 -4.444 1.00 0.00 C ATOM 0 H THR A 30 -4.123 10.185 -6.268 1.00 0.00 H new ATOM 0 HA THR A 30 -4.669 12.670 -7.658 1.00 0.00 H new ATOM 0 HB THR A 30 -5.507 12.003 -5.397 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.789 14.175 -4.559 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.989 12.225 -3.465 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.447 10.905 -4.528 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.610 12.475 -4.561 1.00 0.00 H new ATOM 401 N ILE A 31 -1.626 11.863 -6.953 1.00 0.00 N ATOM 402 CA ILE A 31 -0.240 12.245 -7.158 1.00 0.00 C ATOM 403 C ILE A 31 0.041 12.345 -8.658 1.00 0.00 C ATOM 404 O ILE A 31 0.779 13.226 -9.098 1.00 0.00 O ATOM 405 CB ILE A 31 0.696 11.285 -6.420 1.00 0.00 C ATOM 406 CG1 ILE A 31 1.732 12.053 -5.597 1.00 0.00 C ATOM 407 CG2 ILE A 31 1.350 10.301 -7.392 1.00 0.00 C ATOM 408 CD1 ILE A 31 2.715 12.793 -6.507 1.00 0.00 C ATOM 0 H ILE A 31 -1.760 10.913 -6.607 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.050 13.230 -6.731 1.00 0.00 H new ATOM 0 HB ILE A 31 0.101 10.698 -5.720 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.228 12.766 -4.944 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.276 11.361 -4.954 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.010 9.630 -6.842 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.578 9.718 -7.895 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.929 10.852 -8.133 1.00 0.00 H new ATOM 0 HD11 ILE A 31 3.441 13.331 -5.897 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.235 12.075 -7.141 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.170 13.501 -7.132 1.00 0.00 H new ATOM 420 N GLU A 32 -0.563 11.431 -9.403 1.00 0.00 N ATOM 421 CA GLU A 32 -0.387 11.405 -10.845 1.00 0.00 C ATOM 422 C GLU A 32 -1.102 12.595 -11.488 1.00 0.00 C ATOM 423 O GLU A 32 -0.686 13.079 -12.540 1.00 0.00 O ATOM 424 CB GLU A 32 -0.884 10.083 -11.434 1.00 0.00 C ATOM 425 CG GLU A 32 0.269 9.092 -11.608 1.00 0.00 C ATOM 426 CD GLU A 32 0.002 8.138 -12.773 1.00 0.00 C ATOM 427 OE1 GLU A 32 -1.066 7.488 -12.741 1.00 0.00 O ATOM 428 OE2 GLU A 32 0.870 8.080 -13.670 1.00 0.00 O ATOM 0 H GLU A 32 -1.175 10.703 -9.035 1.00 0.00 H new ATOM 0 HA GLU A 32 0.678 11.485 -11.063 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.643 9.652 -10.781 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.359 10.266 -12.398 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.197 9.636 -11.784 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.404 8.521 -10.689 1.00 0.00 H new ATOM 435 N GLY A 33 -2.165 13.032 -10.830 1.00 0.00 N ATOM 436 CA GLY A 33 -2.942 14.156 -11.324 1.00 0.00 C ATOM 437 C GLY A 33 -2.107 15.438 -11.332 1.00 0.00 C ATOM 438 O GLY A 33 -2.014 16.116 -12.354 1.00 0.00 O ATOM 0 H GLY A 33 -2.507 12.628 -9.958 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.297 13.942 -12.332 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.824 14.296 -10.699 1.00 0.00 H new ATOM 442 N ILE A 34 -1.521 15.732 -10.180 1.00 0.00 N ATOM 443 CA ILE A 34 -0.697 16.920 -10.041 1.00 0.00 C ATOM 444 C ILE A 34 0.418 16.888 -11.088 1.00 0.00 C ATOM 445 O ILE A 34 0.845 17.932 -11.578 1.00 0.00 O ATOM 446 CB ILE A 34 -0.189 17.055 -8.605 1.00 0.00 C ATOM 447 CG1 ILE A 34 0.971 16.093 -8.342 1.00 0.00 C ATOM 448 CG2 ILE A 34 -1.327 16.868 -7.600 1.00 0.00 C ATOM 449 CD1 ILE A 34 2.297 16.849 -8.230 1.00 0.00 C ATOM 0 H ILE A 34 -1.601 15.167 -9.334 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.287 17.817 -10.231 1.00 0.00 H new ATOM 0 HB ILE A 34 0.194 18.067 -8.472 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.786 15.538 -7.422 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.032 15.362 -9.149 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.938 16.969 -6.587 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.092 17.625 -7.772 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.763 15.877 -7.724 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.105 16.141 -8.043 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.491 17.383 -9.160 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.241 17.562 -7.407 1.00 0.00 H new ATOM 461 N ALA A 35 0.858 15.678 -11.400 1.00 0.00 N ATOM 462 CA ALA A 35 1.915 15.495 -12.380 1.00 0.00 C ATOM 463 C ALA A 35 1.411 15.934 -13.756 1.00 0.00 C ATOM 464 O ALA A 35 2.205 16.253 -14.639 1.00 0.00 O ATOM 465 CB ALA A 35 2.378 14.037 -12.366 1.00 0.00 C ATOM 0 H ALA A 35 0.502 14.814 -10.991 1.00 0.00 H new ATOM 0 HA ALA A 35 2.778 16.113 -12.133 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.171 13.900 -13.101 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.755 13.784 -11.375 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.539 13.386 -12.612 1.00 0.00 H new ATOM 471 N ARG A 36 0.093 15.935 -13.895 1.00 0.00 N ATOM 472 CA ARG A 36 -0.526 16.330 -15.149 1.00 0.00 C ATOM 473 C ARG A 36 0.021 17.682 -15.609 1.00 0.00 C ATOM 474 O ARG A 36 0.395 17.842 -16.770 1.00 0.00 O ATOM 475 CB ARG A 36 -2.047 16.425 -15.006 1.00 0.00 C ATOM 476 CG ARG A 36 -2.654 15.056 -14.693 1.00 0.00 C ATOM 477 CD ARG A 36 -4.127 15.187 -14.297 1.00 0.00 C ATOM 478 NE ARG A 36 -4.932 15.594 -15.471 1.00 0.00 N ATOM 479 CZ ARG A 36 -6.271 15.574 -15.506 1.00 0.00 C ATOM 480 NH1 ARG A 36 -6.964 15.168 -14.433 1.00 0.00 N ATOM 481 NH2 ARG A 36 -6.918 15.961 -16.614 1.00 0.00 N ATOM 0 H ARG A 36 -0.563 15.669 -13.160 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.288 15.567 -15.891 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.298 17.128 -14.212 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.479 16.816 -15.927 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.564 14.407 -15.564 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.097 14.583 -13.884 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.493 14.238 -13.906 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.234 15.922 -13.500 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.436 15.909 -16.305 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.472 14.874 -13.589 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.984 15.153 -14.460 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.391 16.271 -17.430 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.938 15.946 -16.641 1.00 0.00 H new ATOM 495 N GLN A 37 0.052 18.621 -14.675 1.00 0.00 N ATOM 496 CA GLN A 37 0.548 19.955 -14.970 1.00 0.00 C ATOM 497 C GLN A 37 1.838 19.872 -15.789 1.00 0.00 C ATOM 498 O GLN A 37 2.495 18.833 -15.816 1.00 0.00 O ATOM 499 CB GLN A 37 0.764 20.756 -13.685 1.00 0.00 C ATOM 500 CG GLN A 37 -0.552 21.354 -13.184 1.00 0.00 C ATOM 501 CD GLN A 37 -1.188 22.251 -14.248 1.00 0.00 C ATOM 502 OE1 GLN A 37 -0.652 23.278 -14.632 1.00 0.00 O ATOM 503 NE2 GLN A 37 -2.356 21.807 -14.701 1.00 0.00 N ATOM 0 H GLN A 37 -0.258 18.485 -13.713 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.202 20.478 -15.563 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.190 20.110 -12.917 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.484 21.554 -13.866 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.242 20.553 -12.919 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -0.371 21.931 -12.277 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -2.748 20.939 -14.336 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.860 22.334 -15.414 1.00 0.00 H new ATOM 512 N PRO A 38 2.170 21.011 -16.455 1.00 0.00 N ATOM 513 CA PRO A 38 3.370 21.077 -17.272 1.00 0.00 C ATOM 514 C PRO A 38 4.622 21.180 -16.400 1.00 0.00 C ATOM 515 O PRO A 38 5.558 20.397 -16.555 1.00 0.00 O ATOM 516 CB PRO A 38 3.168 22.288 -18.168 1.00 0.00 C ATOM 517 CG PRO A 38 2.085 23.122 -17.505 1.00 0.00 C ATOM 518 CD PRO A 38 1.415 22.261 -16.447 1.00 0.00 C ATOM 0 HA PRO A 38 3.524 20.178 -17.868 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.092 22.857 -18.269 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.868 21.986 -19.171 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.515 24.016 -17.053 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.356 23.457 -18.243 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.449 22.738 -15.468 1.00 0.00 H new ATOM 0 HD3 PRO A 38 0.364 22.091 -16.682 1.00 0.00 H new ATOM 526 N GLU A 39 4.600 22.154 -15.501 1.00 0.00 N ATOM 527 CA GLU A 39 5.723 22.370 -14.604 1.00 0.00 C ATOM 528 C GLU A 39 5.942 21.138 -13.723 1.00 0.00 C ATOM 529 O GLU A 39 7.002 20.985 -13.117 1.00 0.00 O ATOM 530 CB GLU A 39 5.511 23.623 -13.753 1.00 0.00 C ATOM 531 CG GLU A 39 6.834 24.115 -13.163 1.00 0.00 C ATOM 532 CD GLU A 39 6.592 25.120 -12.035 1.00 0.00 C ATOM 533 OE1 GLU A 39 5.663 25.940 -12.195 1.00 0.00 O ATOM 534 OE2 GLU A 39 7.341 25.044 -11.037 1.00 0.00 O ATOM 0 H GLU A 39 3.822 22.802 -15.375 1.00 0.00 H new ATOM 0 HA GLU A 39 6.619 22.527 -15.205 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.065 24.410 -14.362 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.808 23.406 -12.949 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.404 23.267 -12.783 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.435 24.579 -13.945 1.00 0.00 H new ATOM 541 N LEU A 40 4.923 20.293 -13.678 1.00 0.00 N ATOM 542 CA LEU A 40 4.991 19.080 -12.881 1.00 0.00 C ATOM 543 C LEU A 40 5.068 17.867 -13.810 1.00 0.00 C ATOM 544 O LEU A 40 4.559 16.797 -13.483 1.00 0.00 O ATOM 545 CB LEU A 40 3.826 19.024 -11.891 1.00 0.00 C ATOM 546 CG LEU A 40 3.741 20.176 -10.888 1.00 0.00 C ATOM 547 CD1 LEU A 40 2.509 21.044 -11.154 1.00 0.00 C ATOM 548 CD2 LEU A 40 3.776 19.655 -9.450 1.00 0.00 C ATOM 0 H LEU A 40 4.045 20.424 -14.181 1.00 0.00 H new ATOM 0 HA LEU A 40 5.896 19.074 -12.274 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.895 18.993 -12.457 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.893 18.089 -11.335 1.00 0.00 H new ATOM 0 HG LEU A 40 4.617 20.811 -11.021 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.472 21.856 -10.427 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.567 21.460 -12.160 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.609 20.436 -11.065 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.714 20.494 -8.757 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.932 18.985 -9.285 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.707 19.114 -9.282 1.00 0.00 H new ATOM 560 N ARG A 41 5.708 18.076 -14.951 1.00 0.00 N ATOM 561 CA ARG A 41 5.858 17.013 -15.931 1.00 0.00 C ATOM 562 C ARG A 41 6.759 15.907 -15.379 1.00 0.00 C ATOM 563 O ARG A 41 6.512 14.725 -15.614 1.00 0.00 O ATOM 564 CB ARG A 41 6.455 17.546 -17.235 1.00 0.00 C ATOM 565 CG ARG A 41 6.826 16.399 -18.177 1.00 0.00 C ATOM 566 CD ARG A 41 8.262 15.930 -17.931 1.00 0.00 C ATOM 567 NE ARG A 41 9.119 16.301 -19.079 1.00 0.00 N ATOM 568 CZ ARG A 41 10.441 16.090 -19.129 1.00 0.00 C ATOM 569 NH1 ARG A 41 11.066 15.510 -18.095 1.00 0.00 N ATOM 570 NH2 ARG A 41 11.139 16.460 -20.212 1.00 0.00 N ATOM 0 H ARG A 41 6.129 18.966 -15.219 1.00 0.00 H new ATOM 0 HA ARG A 41 4.867 16.609 -16.138 1.00 0.00 H new ATOM 0 HB2 ARG A 41 5.739 18.206 -17.724 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.340 18.143 -17.017 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.138 15.567 -18.031 1.00 0.00 H new ATOM 0 HG3 ARG A 41 6.718 16.724 -19.212 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.649 16.381 -17.017 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.281 14.850 -17.787 1.00 0.00 H new ATOM 0 HE ARG A 41 8.675 16.745 -19.883 1.00 0.00 H new ATOM 0 HH11 ARG A 41 10.535 15.229 -17.270 1.00 0.00 H new ATOM 0 HH12 ARG A 41 12.073 15.349 -18.133 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.664 16.902 -20.999 1.00 0.00 H new ATOM 0 HH22 ARG A 41 12.146 16.299 -20.250 1.00 0.00 H new ATOM 584 N PRO A 42 7.813 16.340 -14.637 1.00 0.00 N ATOM 585 CA PRO A 42 8.752 15.400 -14.050 1.00 0.00 C ATOM 586 C PRO A 42 8.140 14.699 -12.836 1.00 0.00 C ATOM 587 O PRO A 42 8.634 13.660 -12.400 1.00 0.00 O ATOM 588 CB PRO A 42 9.976 16.232 -13.702 1.00 0.00 C ATOM 589 CG PRO A 42 9.505 17.676 -13.677 1.00 0.00 C ATOM 590 CD PRO A 42 8.137 17.732 -14.338 1.00 0.00 C ATOM 0 HA PRO A 42 9.018 14.591 -14.730 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.386 15.938 -12.736 1.00 0.00 H new ATOM 0 HB3 PRO A 42 10.766 16.092 -14.440 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.449 18.041 -12.652 1.00 0.00 H new ATOM 0 HG3 PRO A 42 10.211 18.317 -14.205 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.395 18.178 -13.676 1.00 0.00 H new ATOM 0 HD3 PRO A 42 8.160 18.337 -15.244 1.00 0.00 H new ATOM 598 N VAL A 43 7.074 15.296 -12.323 1.00 0.00 N ATOM 599 CA VAL A 43 6.390 14.743 -11.167 1.00 0.00 C ATOM 600 C VAL A 43 5.868 13.346 -11.509 1.00 0.00 C ATOM 601 O VAL A 43 5.721 12.501 -10.628 1.00 0.00 O ATOM 602 CB VAL A 43 5.286 15.697 -10.706 1.00 0.00 C ATOM 603 CG1 VAL A 43 4.453 15.070 -9.586 1.00 0.00 C ATOM 604 CG2 VAL A 43 5.871 17.041 -10.268 1.00 0.00 C ATOM 0 H VAL A 43 6.667 16.158 -12.687 1.00 0.00 H new ATOM 0 HA VAL A 43 7.080 14.637 -10.330 1.00 0.00 H new ATOM 0 HB VAL A 43 4.625 15.880 -11.553 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.675 15.768 -9.276 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.992 14.150 -9.946 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.097 14.844 -8.736 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.065 17.701 -9.945 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.565 16.884 -9.442 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.400 17.497 -11.104 1.00 0.00 H new ATOM 614 N LEU A 44 5.602 13.146 -12.792 1.00 0.00 N ATOM 615 CA LEU A 44 5.100 11.866 -13.262 1.00 0.00 C ATOM 616 C LEU A 44 6.025 10.750 -12.774 1.00 0.00 C ATOM 617 O LEU A 44 5.560 9.730 -12.267 1.00 0.00 O ATOM 618 CB LEU A 44 4.911 11.889 -14.780 1.00 0.00 C ATOM 619 CG LEU A 44 3.941 10.853 -15.351 1.00 0.00 C ATOM 620 CD1 LEU A 44 2.491 11.315 -15.195 1.00 0.00 C ATOM 621 CD2 LEU A 44 4.284 10.524 -16.805 1.00 0.00 C ATOM 0 H LEU A 44 5.725 13.849 -13.520 1.00 0.00 H new ATOM 0 HA LEU A 44 4.113 11.667 -12.844 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.563 12.881 -15.068 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.884 11.744 -15.250 1.00 0.00 H new ATOM 0 HG LEU A 44 4.049 9.932 -14.778 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.822 10.560 -15.609 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.267 11.458 -14.138 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.350 12.256 -15.727 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.579 9.785 -17.187 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.222 11.430 -17.408 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.296 10.122 -16.858 1.00 0.00 H new ATOM 633 N GLN A 45 7.319 10.981 -12.944 1.00 0.00 N ATOM 634 CA GLN A 45 8.314 10.007 -12.527 1.00 0.00 C ATOM 635 C GLN A 45 8.205 9.749 -11.023 1.00 0.00 C ATOM 636 O GLN A 45 8.440 8.632 -10.563 1.00 0.00 O ATOM 637 CB GLN A 45 9.723 10.468 -12.904 1.00 0.00 C ATOM 638 CG GLN A 45 9.763 10.990 -14.342 1.00 0.00 C ATOM 639 CD GLN A 45 11.133 10.743 -14.977 1.00 0.00 C ATOM 640 OE1 GLN A 45 11.732 9.689 -14.833 1.00 0.00 O ATOM 641 NE2 GLN A 45 11.594 11.769 -15.686 1.00 0.00 N ATOM 0 H GLN A 45 7.701 11.828 -13.365 1.00 0.00 H new ATOM 0 HA GLN A 45 8.121 9.071 -13.051 1.00 0.00 H new ATOM 0 HB2 GLN A 45 10.048 11.252 -12.220 1.00 0.00 H new ATOM 0 HB3 GLN A 45 10.422 9.639 -12.795 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.990 10.498 -14.933 1.00 0.00 H new ATOM 0 HG3 GLN A 45 9.541 12.057 -14.352 1.00 0.00 H new ATOM 0 HE21 GLN A 45 11.042 12.623 -15.766 1.00 0.00 H new ATOM 0 HE22 GLN A 45 12.500 11.702 -16.150 1.00 0.00 H new ATOM 650 N THR A 46 7.850 10.799 -10.298 1.00 0.00 N ATOM 651 CA THR A 46 7.708 10.700 -8.856 1.00 0.00 C ATOM 652 C THR A 46 6.499 9.833 -8.497 1.00 0.00 C ATOM 653 O THR A 46 6.529 9.095 -7.513 1.00 0.00 O ATOM 654 CB THR A 46 7.627 12.119 -8.289 1.00 0.00 C ATOM 655 OG1 THR A 46 8.664 12.163 -7.313 1.00 0.00 O ATOM 656 CG2 THR A 46 6.347 12.356 -7.485 1.00 0.00 C ATOM 0 H THR A 46 7.656 11.724 -10.683 1.00 0.00 H new ATOM 0 HA THR A 46 8.569 10.204 -8.408 1.00 0.00 H new ATOM 0 HB THR A 46 7.681 12.839 -9.105 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.684 13.050 -6.896 1.00 0.00 H new ATOM 0 HG21 THR A 46 6.340 13.378 -7.105 1.00 0.00 H new ATOM 0 HG22 THR A 46 5.480 12.201 -8.127 1.00 0.00 H new ATOM 0 HG23 THR A 46 6.308 11.658 -6.649 1.00 0.00 H new ATOM 664 N THR A 47 5.463 9.950 -9.315 1.00 0.00 N ATOM 665 CA THR A 47 4.247 9.187 -9.097 1.00 0.00 C ATOM 666 C THR A 47 4.468 7.716 -9.457 1.00 0.00 C ATOM 667 O THR A 47 3.870 6.828 -8.851 1.00 0.00 O ATOM 668 CB THR A 47 3.124 9.846 -9.900 1.00 0.00 C ATOM 669 OG1 THR A 47 3.369 9.436 -11.242 1.00 0.00 O ATOM 670 CG2 THR A 47 3.255 11.370 -9.947 1.00 0.00 C ATOM 0 H THR A 47 5.441 10.563 -10.130 1.00 0.00 H new ATOM 0 HA THR A 47 3.961 9.193 -8.045 1.00 0.00 H new ATOM 0 HB THR A 47 2.161 9.577 -9.465 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.255 9.747 -11.522 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.434 11.788 -10.529 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.222 11.769 -8.933 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.203 11.640 -10.412 1.00 0.00 H new ATOM 678 N MET A 48 5.330 7.504 -10.441 1.00 0.00 N ATOM 679 CA MET A 48 5.638 6.157 -10.889 1.00 0.00 C ATOM 680 C MET A 48 6.305 5.348 -9.774 1.00 0.00 C ATOM 681 O MET A 48 5.965 4.186 -9.557 1.00 0.00 O ATOM 682 CB MET A 48 6.569 6.222 -12.101 1.00 0.00 C ATOM 683 CG MET A 48 6.528 4.914 -12.894 1.00 0.00 C ATOM 684 SD MET A 48 7.056 5.203 -14.575 1.00 0.00 S ATOM 685 CE MET A 48 7.223 3.519 -15.141 1.00 0.00 C ATOM 0 H MET A 48 5.825 8.243 -10.940 1.00 0.00 H new ATOM 0 HA MET A 48 4.706 5.663 -11.163 1.00 0.00 H new ATOM 0 HB2 MET A 48 6.276 7.051 -12.745 1.00 0.00 H new ATOM 0 HB3 MET A 48 7.589 6.419 -11.771 1.00 0.00 H new ATOM 0 HG2 MET A 48 7.174 4.173 -12.423 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.517 4.506 -12.886 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.549 3.515 -16.181 1.00 0.00 H new ATOM 0 HE2 MET A 48 7.960 3.001 -14.528 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.262 3.011 -15.060 1.00 0.00 H new ATOM 695 N PHE A 49 7.244 5.994 -9.099 1.00 0.00 N ATOM 696 CA PHE A 49 7.962 5.350 -8.013 1.00 0.00 C ATOM 697 C PHE A 49 7.070 5.200 -6.778 1.00 0.00 C ATOM 698 O PHE A 49 7.202 4.235 -6.027 1.00 0.00 O ATOM 699 CB PHE A 49 9.148 6.251 -7.664 1.00 0.00 C ATOM 700 CG PHE A 49 9.842 5.886 -6.349 1.00 0.00 C ATOM 701 CD1 PHE A 49 10.469 4.686 -6.222 1.00 0.00 C ATOM 702 CD2 PHE A 49 9.830 6.761 -5.309 1.00 0.00 C ATOM 703 CE1 PHE A 49 11.113 4.347 -5.002 1.00 0.00 C ATOM 704 CE2 PHE A 49 10.474 6.423 -4.089 1.00 0.00 C ATOM 705 CZ PHE A 49 11.101 5.223 -3.962 1.00 0.00 C ATOM 0 H PHE A 49 7.524 6.957 -9.283 1.00 0.00 H new ATOM 0 HA PHE A 49 8.284 4.354 -8.319 1.00 0.00 H new ATOM 0 HB2 PHE A 49 9.877 6.204 -8.473 1.00 0.00 H new ATOM 0 HB3 PHE A 49 8.802 7.283 -7.606 1.00 0.00 H new ATOM 0 HD1 PHE A 49 10.477 3.991 -7.048 1.00 0.00 H new ATOM 0 HD2 PHE A 49 9.331 7.713 -5.410 1.00 0.00 H new ATOM 0 HE1 PHE A 49 11.612 3.394 -4.901 1.00 0.00 H new ATOM 0 HE2 PHE A 49 10.466 7.119 -3.263 1.00 0.00 H new ATOM 0 HZ PHE A 49 11.590 4.965 -3.034 1.00 0.00 H new ATOM 715 N ILE A 50 6.183 6.168 -6.608 1.00 0.00 N ATOM 716 CA ILE A 50 5.269 6.156 -5.478 1.00 0.00 C ATOM 717 C ILE A 50 4.241 5.039 -5.671 1.00 0.00 C ATOM 718 O ILE A 50 3.774 4.446 -4.700 1.00 0.00 O ATOM 719 CB ILE A 50 4.645 7.539 -5.278 1.00 0.00 C ATOM 720 CG1 ILE A 50 4.875 8.043 -3.852 1.00 0.00 C ATOM 721 CG2 ILE A 50 3.161 7.529 -5.651 1.00 0.00 C ATOM 722 CD1 ILE A 50 6.329 8.473 -3.651 1.00 0.00 C ATOM 0 H ILE A 50 6.077 6.967 -7.234 1.00 0.00 H new ATOM 0 HA ILE A 50 5.807 5.939 -4.555 1.00 0.00 H new ATOM 0 HB ILE A 50 5.141 8.239 -5.950 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.212 8.884 -3.648 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.622 7.258 -3.140 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.741 8.523 -5.500 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.051 7.244 -6.697 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.633 6.813 -5.022 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.466 8.827 -2.629 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.988 7.624 -3.832 1.00 0.00 H new ATOM 0 HD13 ILE A 50 6.571 9.275 -4.348 1.00 0.00 H new ATOM 734 N GLY A 51 3.919 4.786 -6.931 1.00 0.00 N ATOM 735 CA GLY A 51 2.955 3.751 -7.263 1.00 0.00 C ATOM 736 C GLY A 51 3.487 2.366 -6.890 1.00 0.00 C ATOM 737 O GLY A 51 2.807 1.598 -6.211 1.00 0.00 O ATOM 0 H GLY A 51 4.309 5.280 -7.734 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.019 3.939 -6.737 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.733 3.784 -8.330 1.00 0.00 H new ATOM 741 N VAL A 52 4.697 2.089 -7.351 1.00 0.00 N ATOM 742 CA VAL A 52 5.329 0.810 -7.075 1.00 0.00 C ATOM 743 C VAL A 52 5.403 0.599 -5.561 1.00 0.00 C ATOM 744 O VAL A 52 5.015 -0.453 -5.057 1.00 0.00 O ATOM 745 CB VAL A 52 6.697 0.743 -7.756 1.00 0.00 C ATOM 746 CG1 VAL A 52 7.233 -0.690 -7.770 1.00 0.00 C ATOM 747 CG2 VAL A 52 6.633 1.318 -9.172 1.00 0.00 C ATOM 0 H VAL A 52 5.257 2.729 -7.914 1.00 0.00 H new ATOM 0 HA VAL A 52 4.736 -0.006 -7.489 1.00 0.00 H new ATOM 0 HB VAL A 52 7.390 1.354 -7.177 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.207 -0.710 -8.260 1.00 0.00 H new ATOM 0 HG12 VAL A 52 7.334 -1.051 -6.746 1.00 0.00 H new ATOM 0 HG13 VAL A 52 6.540 -1.332 -8.314 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.619 1.258 -9.634 1.00 0.00 H new ATOM 0 HG22 VAL A 52 5.919 0.746 -9.765 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.316 2.360 -9.128 1.00 0.00 H new ATOM 757 N ALA A 53 5.906 1.618 -4.878 1.00 0.00 N ATOM 758 CA ALA A 53 6.036 1.557 -3.433 1.00 0.00 C ATOM 759 C ALA A 53 4.687 1.180 -2.818 1.00 0.00 C ATOM 760 O ALA A 53 4.635 0.472 -1.813 1.00 0.00 O ATOM 761 CB ALA A 53 6.560 2.897 -2.911 1.00 0.00 C ATOM 0 H ALA A 53 6.228 2.489 -5.299 1.00 0.00 H new ATOM 0 HA ALA A 53 6.755 0.790 -3.145 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.658 2.852 -1.826 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.534 3.105 -3.355 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.862 3.690 -3.180 1.00 0.00 H new ATOM 767 N LEU A 54 3.629 1.669 -3.448 1.00 0.00 N ATOM 768 CA LEU A 54 2.283 1.391 -2.976 1.00 0.00 C ATOM 769 C LEU A 54 1.975 -0.095 -3.169 1.00 0.00 C ATOM 770 O LEU A 54 1.244 -0.689 -2.378 1.00 0.00 O ATOM 771 CB LEU A 54 1.275 2.321 -3.654 1.00 0.00 C ATOM 772 CG LEU A 54 0.300 1.657 -4.628 1.00 0.00 C ATOM 773 CD1 LEU A 54 -0.631 0.688 -3.898 1.00 0.00 C ATOM 774 CD2 LEU A 54 -0.477 2.706 -5.427 1.00 0.00 C ATOM 0 H LEU A 54 3.676 2.256 -4.281 1.00 0.00 H new ATOM 0 HA LEU A 54 2.204 1.597 -1.908 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.697 2.825 -2.879 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.827 3.092 -4.192 1.00 0.00 H new ATOM 0 HG LEU A 54 0.878 1.071 -5.342 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.314 0.230 -4.614 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.040 -0.088 -3.413 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.204 1.231 -3.146 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.163 2.207 -6.112 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.043 3.339 -4.743 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.221 3.320 -5.996 1.00 0.00 H new ATOM 786 N VAL A 55 2.549 -0.653 -4.225 1.00 0.00 N ATOM 787 CA VAL A 55 2.346 -2.058 -4.532 1.00 0.00 C ATOM 788 C VAL A 55 3.095 -2.913 -3.509 1.00 0.00 C ATOM 789 O VAL A 55 2.719 -4.057 -3.256 1.00 0.00 O ATOM 790 CB VAL A 55 2.768 -2.345 -5.975 1.00 0.00 C ATOM 791 CG1 VAL A 55 3.083 -3.830 -6.169 1.00 0.00 C ATOM 792 CG2 VAL A 55 1.698 -1.877 -6.963 1.00 0.00 C ATOM 0 H VAL A 55 3.155 -0.157 -4.879 1.00 0.00 H new ATOM 0 HA VAL A 55 1.289 -2.316 -4.459 1.00 0.00 H new ATOM 0 HB VAL A 55 3.679 -1.781 -6.176 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.380 -4.007 -7.203 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.896 -4.120 -5.503 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.198 -4.423 -5.940 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.023 -2.093 -7.981 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.763 -2.400 -6.762 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.544 -0.804 -6.851 1.00 0.00 H new ATOM 802 N GLU A 56 4.141 -2.326 -2.946 1.00 0.00 N ATOM 803 CA GLU A 56 4.946 -3.020 -1.955 1.00 0.00 C ATOM 804 C GLU A 56 4.195 -3.102 -0.625 1.00 0.00 C ATOM 805 O GLU A 56 4.705 -3.659 0.346 1.00 0.00 O ATOM 806 CB GLU A 56 6.304 -2.338 -1.778 1.00 0.00 C ATOM 807 CG GLU A 56 7.251 -2.696 -2.925 1.00 0.00 C ATOM 808 CD GLU A 56 8.645 -2.109 -2.688 1.00 0.00 C ATOM 809 OE1 GLU A 56 9.362 -2.677 -1.837 1.00 0.00 O ATOM 810 OE2 GLU A 56 8.960 -1.106 -3.364 1.00 0.00 O ATOM 0 H GLU A 56 4.450 -1.377 -3.157 1.00 0.00 H new ATOM 0 HA GLU A 56 5.129 -4.035 -2.309 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.169 -1.257 -1.737 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.746 -2.641 -0.829 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.320 -3.780 -3.020 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.848 -2.319 -3.865 1.00 0.00 H new ATOM 817 N ALA A 57 2.996 -2.539 -0.623 1.00 0.00 N ATOM 818 CA ALA A 57 2.170 -2.541 0.573 1.00 0.00 C ATOM 819 C ALA A 57 1.307 -3.805 0.589 1.00 0.00 C ATOM 820 O ALA A 57 0.775 -4.184 1.631 1.00 0.00 O ATOM 821 CB ALA A 57 1.332 -1.262 0.617 1.00 0.00 C ATOM 0 H ALA A 57 2.576 -2.078 -1.430 1.00 0.00 H new ATOM 0 HA ALA A 57 2.791 -2.554 1.469 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.713 -1.264 1.514 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.992 -0.395 0.633 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.693 -1.215 -0.265 1.00 0.00 H new ATOM 827 N LEU A 58 1.195 -4.421 -0.579 1.00 0.00 N ATOM 828 CA LEU A 58 0.406 -5.634 -0.712 1.00 0.00 C ATOM 829 C LEU A 58 1.145 -6.794 -0.042 1.00 0.00 C ATOM 830 O LEU A 58 0.569 -7.512 0.774 1.00 0.00 O ATOM 831 CB LEU A 58 0.062 -5.890 -2.181 1.00 0.00 C ATOM 832 CG LEU A 58 -1.301 -6.532 -2.448 1.00 0.00 C ATOM 833 CD1 LEU A 58 -2.439 -5.579 -2.078 1.00 0.00 C ATOM 834 CD2 LEU A 58 -1.406 -7.014 -3.896 1.00 0.00 C ATOM 0 H LEU A 58 1.637 -4.103 -1.441 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.549 -5.526 -0.199 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.105 -4.941 -2.715 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.833 -6.531 -2.608 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.395 -7.410 -1.808 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.396 -6.061 -2.278 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.373 -5.327 -1.019 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.359 -4.669 -2.673 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.384 -7.466 -4.059 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.280 -6.168 -4.571 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.628 -7.752 -4.091 1.00 0.00 H new ATOM 846 N PRO A 59 2.442 -6.945 -0.422 1.00 0.00 N ATOM 847 CA PRO A 59 3.265 -8.006 0.133 1.00 0.00 C ATOM 848 C PRO A 59 3.687 -7.680 1.567 1.00 0.00 C ATOM 849 O PRO A 59 3.784 -8.572 2.408 1.00 0.00 O ATOM 850 CB PRO A 59 4.443 -8.129 -0.819 1.00 0.00 C ATOM 851 CG PRO A 59 4.478 -6.830 -1.608 1.00 0.00 C ATOM 852 CD PRO A 59 3.156 -6.114 -1.386 1.00 0.00 C ATOM 0 HA PRO A 59 2.732 -8.954 0.211 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.374 -8.279 -0.272 1.00 0.00 H new ATOM 0 HB3 PRO A 59 4.322 -8.986 -1.482 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.310 -6.206 -1.280 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.630 -7.031 -2.668 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.311 -5.106 -1.001 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.597 -6.018 -2.317 1.00 0.00 H new ATOM 860 N ILE A 60 3.926 -6.398 1.802 1.00 0.00 N ATOM 861 CA ILE A 60 4.335 -5.943 3.120 1.00 0.00 C ATOM 862 C ILE A 60 3.248 -6.295 4.137 1.00 0.00 C ATOM 863 O ILE A 60 3.511 -6.989 5.118 1.00 0.00 O ATOM 864 CB ILE A 60 4.688 -4.454 3.087 1.00 0.00 C ATOM 865 CG1 ILE A 60 6.100 -4.237 2.540 1.00 0.00 C ATOM 866 CG2 ILE A 60 4.502 -3.816 4.465 1.00 0.00 C ATOM 867 CD1 ILE A 60 6.413 -2.746 2.404 1.00 0.00 C ATOM 0 H ILE A 60 3.844 -5.660 1.102 1.00 0.00 H new ATOM 0 HA ILE A 60 5.244 -6.456 3.435 1.00 0.00 H new ATOM 0 HB ILE A 60 3.999 -3.955 2.406 1.00 0.00 H new ATOM 0 HG12 ILE A 60 6.827 -4.706 3.204 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.196 -4.722 1.569 1.00 0.00 H new ATOM 0 HG21 ILE A 60 4.760 -2.758 4.414 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.463 -3.922 4.778 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.151 -4.313 5.187 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.423 -2.620 2.013 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.700 -2.285 1.721 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.340 -2.268 3.381 1.00 0.00 H new ATOM 879 N ILE A 61 2.048 -5.799 3.868 1.00 0.00 N ATOM 880 CA ILE A 61 0.920 -6.053 4.747 1.00 0.00 C ATOM 881 C ILE A 61 0.707 -7.563 4.874 1.00 0.00 C ATOM 882 O ILE A 61 0.421 -8.064 5.961 1.00 0.00 O ATOM 883 CB ILE A 61 -0.318 -5.296 4.262 1.00 0.00 C ATOM 884 CG1 ILE A 61 -0.040 -3.794 4.167 1.00 0.00 C ATOM 885 CG2 ILE A 61 -1.529 -5.600 5.147 1.00 0.00 C ATOM 886 CD1 ILE A 61 -1.002 -3.119 3.187 1.00 0.00 C ATOM 0 H ILE A 61 1.833 -5.223 3.054 1.00 0.00 H new ATOM 0 HA ILE A 61 1.125 -5.675 5.748 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.559 -5.643 3.257 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.140 -3.339 5.152 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.988 -3.631 3.844 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.395 -5.049 4.780 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.740 -6.669 5.120 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.315 -5.299 6.172 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.783 -2.052 3.138 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.882 -3.560 2.197 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.028 -3.263 3.526 1.00 0.00 H new ATOM 898 N GLY A 62 0.853 -8.245 3.748 1.00 0.00 N ATOM 899 CA GLY A 62 0.680 -9.688 3.719 1.00 0.00 C ATOM 900 C GLY A 62 1.680 -10.378 4.649 1.00 0.00 C ATOM 901 O GLY A 62 1.378 -11.422 5.226 1.00 0.00 O ATOM 0 H GLY A 62 1.089 -7.826 2.849 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.337 -9.942 4.019 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.813 -10.054 2.701 1.00 0.00 H new ATOM 905 N VAL A 63 2.849 -9.768 4.766 1.00 0.00 N ATOM 906 CA VAL A 63 3.895 -10.311 5.616 1.00 0.00 C ATOM 907 C VAL A 63 3.514 -10.102 7.083 1.00 0.00 C ATOM 908 O VAL A 63 3.853 -10.919 7.939 1.00 0.00 O ATOM 909 CB VAL A 63 5.243 -9.683 5.254 1.00 0.00 C ATOM 910 CG1 VAL A 63 6.278 -9.936 6.352 1.00 0.00 C ATOM 911 CG2 VAL A 63 5.741 -10.196 3.901 1.00 0.00 C ATOM 0 H VAL A 63 3.096 -8.902 4.286 1.00 0.00 H new ATOM 0 HA VAL A 63 3.998 -11.384 5.456 1.00 0.00 H new ATOM 0 HB VAL A 63 5.100 -8.606 5.171 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.227 -9.479 6.070 1.00 0.00 H new ATOM 0 HG12 VAL A 63 5.929 -9.500 7.288 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.416 -11.009 6.481 1.00 0.00 H new ATOM 0 HG21 VAL A 63 6.700 -9.734 3.668 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.860 -11.279 3.944 1.00 0.00 H new ATOM 0 HG23 VAL A 63 5.018 -9.941 3.127 1.00 0.00 H new ATOM 921 N VAL A 64 2.814 -9.005 7.329 1.00 0.00 N ATOM 922 CA VAL A 64 2.383 -8.679 8.678 1.00 0.00 C ATOM 923 C VAL A 64 1.428 -9.764 9.180 1.00 0.00 C ATOM 924 O VAL A 64 1.661 -10.364 10.229 1.00 0.00 O ATOM 925 CB VAL A 64 1.764 -7.280 8.706 1.00 0.00 C ATOM 926 CG1 VAL A 64 0.774 -7.141 9.864 1.00 0.00 C ATOM 927 CG2 VAL A 64 2.848 -6.202 8.779 1.00 0.00 C ATOM 0 H VAL A 64 2.534 -8.330 6.617 1.00 0.00 H new ATOM 0 HA VAL A 64 3.236 -8.657 9.356 1.00 0.00 H new ATOM 0 HB VAL A 64 1.213 -7.139 7.776 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.349 -6.137 9.861 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.025 -7.874 9.750 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.292 -7.313 10.808 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.381 -5.217 8.798 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.439 -6.341 9.684 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.497 -6.279 7.907 1.00 0.00 H new ATOM 937 N PHE A 65 0.375 -9.984 8.408 1.00 0.00 N ATOM 938 CA PHE A 65 -0.616 -10.987 8.762 1.00 0.00 C ATOM 939 C PHE A 65 0.038 -12.356 8.963 1.00 0.00 C ATOM 940 O PHE A 65 -0.303 -13.079 9.898 1.00 0.00 O ATOM 941 CB PHE A 65 -1.602 -11.073 7.595 1.00 0.00 C ATOM 942 CG PHE A 65 -1.575 -12.412 6.854 1.00 0.00 C ATOM 943 CD1 PHE A 65 -1.973 -13.547 7.488 1.00 0.00 C ATOM 944 CD2 PHE A 65 -1.153 -12.466 5.562 1.00 0.00 C ATOM 945 CE1 PHE A 65 -1.948 -14.790 6.800 1.00 0.00 C ATOM 946 CE2 PHE A 65 -1.128 -13.708 4.875 1.00 0.00 C ATOM 947 CZ PHE A 65 -1.526 -14.844 5.509 1.00 0.00 C ATOM 0 H PHE A 65 0.186 -9.485 7.539 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.110 -10.710 9.693 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.610 -10.898 7.971 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.382 -10.273 6.887 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -2.308 -13.504 8.514 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.837 -11.564 5.059 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -2.264 -15.692 7.303 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -0.793 -13.751 3.849 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.507 -15.789 4.986 1.00 0.00 H new ATOM 957 N SER A 66 0.965 -12.670 8.071 1.00 0.00 N ATOM 958 CA SER A 66 1.670 -13.939 8.139 1.00 0.00 C ATOM 959 C SER A 66 2.409 -14.057 9.473 1.00 0.00 C ATOM 960 O SER A 66 2.330 -15.086 10.142 1.00 0.00 O ATOM 961 CB SER A 66 2.650 -14.088 6.974 1.00 0.00 C ATOM 962 OG SER A 66 2.009 -13.924 5.712 1.00 0.00 O ATOM 0 H SER A 66 1.245 -12.068 7.297 1.00 0.00 H new ATOM 0 HA SER A 66 0.936 -14.742 8.066 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.447 -13.351 7.074 1.00 0.00 H new ATOM 0 HB3 SER A 66 3.118 -15.071 7.018 1.00 0.00 H new ATOM 0 HG SER A 66 1.950 -12.970 5.496 1.00 0.00 H new ATOM 968 N PHE A 67 3.111 -12.988 9.820 1.00 0.00 N ATOM 969 CA PHE A 67 3.864 -12.958 11.062 1.00 0.00 C ATOM 970 C PHE A 67 2.933 -13.077 12.271 1.00 0.00 C ATOM 971 O PHE A 67 3.297 -13.673 13.283 1.00 0.00 O ATOM 972 CB PHE A 67 4.582 -11.608 11.118 1.00 0.00 C ATOM 973 CG PHE A 67 6.067 -11.678 10.758 1.00 0.00 C ATOM 974 CD1 PHE A 67 6.445 -12.001 9.492 1.00 0.00 C ATOM 975 CD2 PHE A 67 7.009 -11.417 11.704 1.00 0.00 C ATOM 976 CE1 PHE A 67 7.824 -12.066 9.158 1.00 0.00 C ATOM 977 CE2 PHE A 67 8.387 -11.482 11.369 1.00 0.00 C ATOM 978 CZ PHE A 67 8.766 -11.805 10.104 1.00 0.00 C ATOM 0 H PHE A 67 3.174 -12.136 9.262 1.00 0.00 H new ATOM 0 HA PHE A 67 4.564 -13.793 11.092 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.086 -10.916 10.438 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.481 -11.196 12.122 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.697 -12.208 8.741 1.00 0.00 H new ATOM 0 HD2 PHE A 67 6.709 -11.161 12.709 1.00 0.00 H new ATOM 0 HE1 PHE A 67 8.125 -12.323 8.153 1.00 0.00 H new ATOM 0 HE2 PHE A 67 9.135 -11.275 12.120 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.815 -11.854 9.850 1.00 0.00 H new ATOM 988 N ILE A 68 1.749 -12.501 12.124 1.00 0.00 N ATOM 989 CA ILE A 68 0.763 -12.536 13.191 1.00 0.00 C ATOM 990 C ILE A 68 0.485 -13.990 13.576 1.00 0.00 C ATOM 991 O ILE A 68 0.659 -14.374 14.732 1.00 0.00 O ATOM 992 CB ILE A 68 -0.491 -11.756 12.787 1.00 0.00 C ATOM 993 CG1 ILE A 68 -0.215 -10.252 12.759 1.00 0.00 C ATOM 994 CG2 ILE A 68 -1.670 -12.106 13.697 1.00 0.00 C ATOM 995 CD1 ILE A 68 -0.112 -9.686 14.176 1.00 0.00 C ATOM 0 H ILE A 68 1.450 -12.008 11.283 1.00 0.00 H new ATOM 0 HA ILE A 68 1.147 -12.038 14.081 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.767 -12.051 11.775 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.712 -10.059 12.218 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.012 -9.743 12.217 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.548 -11.539 13.389 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.883 -13.172 13.623 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.420 -11.857 14.728 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.085 -8.615 14.127 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.049 -9.859 14.706 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.702 -10.180 14.707 1.00 0.00 H new ATOM 1007 N TYR A 69 0.057 -14.760 12.586 1.00 0.00 N ATOM 1008 CA TYR A 69 -0.246 -16.163 12.807 1.00 0.00 C ATOM 1009 C TYR A 69 0.924 -16.877 13.487 1.00 0.00 C ATOM 1010 O TYR A 69 0.727 -17.636 14.434 1.00 0.00 O ATOM 1011 CB TYR A 69 -0.463 -16.771 11.420 1.00 0.00 C ATOM 1012 CG TYR A 69 -0.947 -18.223 11.445 1.00 0.00 C ATOM 1013 CD1 TYR A 69 -2.024 -18.578 12.231 1.00 0.00 C ATOM 1014 CD2 TYR A 69 -0.306 -19.177 10.681 1.00 0.00 C ATOM 1015 CE1 TYR A 69 -2.479 -19.944 12.255 1.00 0.00 C ATOM 1016 CE2 TYR A 69 -0.761 -20.543 10.705 1.00 0.00 C ATOM 1017 CZ TYR A 69 -1.825 -20.859 11.491 1.00 0.00 C ATOM 1018 OH TYR A 69 -2.255 -22.149 11.513 1.00 0.00 O ATOM 0 H TYR A 69 -0.087 -14.438 11.629 1.00 0.00 H new ATOM 0 HA TYR A 69 -1.118 -16.270 13.452 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -1.190 -16.166 10.879 1.00 0.00 H new ATOM 0 HB3 TYR A 69 0.472 -16.720 10.862 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -2.526 -17.831 12.828 1.00 0.00 H new ATOM 0 HD2 TYR A 69 0.537 -18.899 10.065 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -3.321 -20.235 12.866 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -0.268 -21.300 10.112 1.00 0.00 H new ATOM 0 HH TYR A 69 -1.695 -22.691 10.919 1.00 0.00 H new ATOM 1028 N LEU A 70 2.116 -16.608 12.976 1.00 0.00 N ATOM 1029 CA LEU A 70 3.318 -17.215 13.521 1.00 0.00 C ATOM 1030 C LEU A 70 3.435 -16.861 15.005 1.00 0.00 C ATOM 1031 O LEU A 70 4.144 -17.532 15.754 1.00 0.00 O ATOM 1032 CB LEU A 70 4.543 -16.816 12.695 1.00 0.00 C ATOM 1033 CG LEU A 70 5.675 -17.843 12.634 1.00 0.00 C ATOM 1034 CD1 LEU A 70 5.583 -18.685 11.359 1.00 0.00 C ATOM 1035 CD2 LEU A 70 7.039 -17.166 12.776 1.00 0.00 C ATOM 0 H LEU A 70 2.275 -15.978 12.190 1.00 0.00 H new ATOM 0 HA LEU A 70 3.259 -18.301 13.455 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.216 -16.604 11.677 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.943 -15.887 13.101 1.00 0.00 H new ATOM 0 HG LEU A 70 5.564 -18.523 13.479 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.399 -19.407 11.340 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.630 -19.214 11.340 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.654 -18.034 10.487 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.826 -17.919 12.729 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.175 -16.448 11.967 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.090 -16.647 13.733 1.00 0.00 H new ATOM 1047 N GLY A 71 2.729 -15.806 15.386 1.00 0.00 N ATOM 1048 CA GLY A 71 2.745 -15.354 16.767 1.00 0.00 C ATOM 1049 C GLY A 71 3.396 -13.975 16.885 1.00 0.00 C ATOM 1050 O GLY A 71 3.881 -13.602 17.952 1.00 0.00 O ATOM 0 H GLY A 71 2.142 -15.251 14.762 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.726 -15.313 17.152 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.289 -16.071 17.382 1.00 0.00 H new ATOM 1054 N ARG A 72 3.387 -13.254 15.773 1.00 0.00 N ATOM 1055 CA ARG A 72 3.970 -11.924 15.739 1.00 0.00 C ATOM 1056 C ARG A 72 5.493 -12.009 15.865 1.00 0.00 C ATOM 1057 O ARG A 72 6.212 -11.170 15.325 1.00 0.00 O ATOM 1058 CB ARG A 72 3.419 -11.051 16.868 1.00 0.00 C ATOM 1059 CG ARG A 72 1.892 -11.127 16.924 1.00 0.00 C ATOM 1060 CD ARG A 72 1.427 -11.933 18.139 1.00 0.00 C ATOM 1061 NE ARG A 72 0.511 -11.118 18.967 1.00 0.00 N ATOM 1062 CZ ARG A 72 -0.655 -10.621 18.530 1.00 0.00 C ATOM 1063 NH1 ARG A 72 -1.053 -10.853 17.272 1.00 0.00 N ATOM 1064 NH2 ARG A 72 -1.422 -9.892 19.352 1.00 0.00 N ATOM 0 H ARG A 72 2.985 -13.566 14.889 1.00 0.00 H new ATOM 0 HA ARG A 72 3.706 -11.471 14.784 1.00 0.00 H new ATOM 0 HB2 ARG A 72 3.838 -11.375 17.821 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.730 -10.017 16.718 1.00 0.00 H new ATOM 0 HG2 ARG A 72 1.476 -10.121 16.970 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.514 -11.587 16.011 1.00 0.00 H new ATOM 0 HD2 ARG A 72 0.922 -12.842 17.811 1.00 0.00 H new ATOM 0 HD3 ARG A 72 2.288 -12.242 18.732 1.00 0.00 H new ATOM 0 HE ARG A 72 0.783 -10.922 19.930 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -0.469 -11.408 16.646 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -1.940 -10.475 16.940 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -1.119 -9.715 20.310 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -2.309 -9.514 19.020 1.00 0.00 H new