USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 562 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 55:sc= 0.962 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot -22:sc= -0.131 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.15 K(o=-0.15,f=-2.2!) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -90:sc= 0.874 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 71:sc= 0.687 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.716 -12.029 24.698 1.00 0.00 N ATOM 2 CA MET A 1 -4.357 -13.064 23.743 1.00 0.00 C ATOM 3 C MET A 1 -5.419 -14.165 23.703 1.00 0.00 C ATOM 4 O MET A 1 -6.111 -14.402 24.692 1.00 0.00 O ATOM 5 CB MET A 1 -3.007 -13.671 24.131 1.00 0.00 C ATOM 6 CG MET A 1 -2.065 -13.728 22.927 1.00 0.00 C ATOM 7 SD MET A 1 -0.421 -13.234 23.415 1.00 0.00 S ATOM 8 CE MET A 1 -0.187 -11.830 22.337 1.00 0.00 C ATOM 0 H1 MET A 1 -3.980 -11.294 24.706 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.626 -11.605 24.425 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.800 -12.446 25.647 1.00 0.00 H new ATOM 0 HA MET A 1 -4.291 -12.612 22.753 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.553 -13.078 24.925 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.156 -14.675 24.528 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.044 -14.738 22.519 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.431 -13.073 22.137 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.798 -11.397 22.512 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.263 -12.152 21.298 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.953 -11.082 22.542 1.00 0.00 H new ATOM 18 N SER A 2 -5.515 -14.808 22.548 1.00 0.00 N ATOM 19 CA SER A 2 -6.481 -15.878 22.366 1.00 0.00 C ATOM 20 C SER A 2 -6.395 -16.423 20.939 1.00 0.00 C ATOM 21 O SER A 2 -5.541 -16.001 20.160 1.00 0.00 O ATOM 22 CB SER A 2 -7.901 -15.395 22.664 1.00 0.00 C ATOM 23 OG SER A 2 -8.320 -15.748 23.980 1.00 0.00 O ATOM 0 H SER A 2 -4.940 -14.608 21.730 1.00 0.00 H new ATOM 0 HA SER A 2 -6.243 -16.676 23.069 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.948 -14.312 22.547 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.590 -15.824 21.937 1.00 0.00 H new ATOM 0 HG SER A 2 -7.674 -15.405 24.632 1.00 0.00 H new ATOM 29 N LEU A 3 -7.291 -17.352 20.639 1.00 0.00 N ATOM 30 CA LEU A 3 -7.327 -17.959 19.319 1.00 0.00 C ATOM 31 C LEU A 3 -8.184 -17.098 18.390 1.00 0.00 C ATOM 32 O LEU A 3 -7.806 -16.845 17.247 1.00 0.00 O ATOM 33 CB LEU A 3 -7.790 -19.414 19.411 1.00 0.00 C ATOM 34 CG LEU A 3 -6.728 -20.430 19.837 1.00 0.00 C ATOM 35 CD1 LEU A 3 -7.360 -21.792 20.130 1.00 0.00 C ATOM 36 CD2 LEU A 3 -5.613 -20.528 18.794 1.00 0.00 C ATOM 0 H LEU A 3 -7.998 -17.699 21.287 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.326 -17.994 18.888 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -8.619 -19.467 20.117 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -8.180 -19.713 18.438 1.00 0.00 H new ATOM 0 HG LEU A 3 -6.272 -20.080 20.763 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -6.584 -22.496 20.431 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -8.088 -21.690 20.934 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -7.858 -22.162 19.234 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -4.872 -21.257 19.121 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.034 -20.843 17.839 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -5.138 -19.554 18.677 1.00 0.00 H new ATOM 48 N GLY A 4 -9.324 -16.671 18.914 1.00 0.00 N ATOM 49 CA GLY A 4 -10.238 -15.844 18.146 1.00 0.00 C ATOM 50 C GLY A 4 -9.590 -14.508 17.776 1.00 0.00 C ATOM 51 O GLY A 4 -9.587 -14.118 16.609 1.00 0.00 O ATOM 0 H GLY A 4 -9.635 -16.883 19.862 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.536 -16.371 17.240 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.145 -15.665 18.724 1.00 0.00 H new ATOM 55 N VAL A 5 -9.058 -13.844 18.791 1.00 0.00 N ATOM 56 CA VAL A 5 -8.408 -12.560 18.587 1.00 0.00 C ATOM 57 C VAL A 5 -7.281 -12.721 17.565 1.00 0.00 C ATOM 58 O VAL A 5 -7.001 -11.803 16.794 1.00 0.00 O ATOM 59 CB VAL A 5 -7.926 -11.999 19.926 1.00 0.00 C ATOM 60 CG1 VAL A 5 -6.654 -12.709 20.392 1.00 0.00 C ATOM 61 CG2 VAL A 5 -7.710 -10.487 19.841 1.00 0.00 C ATOM 0 H VAL A 5 -9.063 -14.171 19.757 1.00 0.00 H new ATOM 0 HA VAL A 5 -9.113 -11.835 18.181 1.00 0.00 H new ATOM 0 HB VAL A 5 -8.704 -12.185 20.667 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -6.333 -12.291 21.346 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.855 -13.774 20.511 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -5.867 -12.569 19.651 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.368 -10.114 20.806 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -6.960 -10.269 19.081 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -8.648 -10.000 19.576 1.00 0.00 H new ATOM 71 N LEU A 6 -6.663 -13.893 17.592 1.00 0.00 N ATOM 72 CA LEU A 6 -5.573 -14.185 16.677 1.00 0.00 C ATOM 73 C LEU A 6 -6.070 -14.050 15.237 1.00 0.00 C ATOM 74 O LEU A 6 -5.468 -13.341 14.432 1.00 0.00 O ATOM 75 CB LEU A 6 -4.962 -15.552 16.991 1.00 0.00 C ATOM 76 CG LEU A 6 -3.647 -15.879 16.281 1.00 0.00 C ATOM 77 CD1 LEU A 6 -3.257 -17.342 16.495 1.00 0.00 C ATOM 78 CD2 LEU A 6 -3.720 -15.516 14.796 1.00 0.00 C ATOM 0 H LEU A 6 -6.897 -14.651 18.233 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.766 -13.463 16.804 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.796 -15.615 18.066 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.691 -16.321 16.735 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.860 -15.268 16.723 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.319 -17.548 15.980 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.135 -17.534 17.561 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.039 -17.989 16.097 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.772 -15.759 14.315 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.523 -16.081 14.322 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.917 -14.449 14.692 1.00 0.00 H new ATOM 90 N ALA A 7 -7.165 -14.741 14.955 1.00 0.00 N ATOM 91 CA ALA A 7 -7.751 -14.706 13.626 1.00 0.00 C ATOM 92 C ALA A 7 -8.039 -13.255 13.238 1.00 0.00 C ATOM 93 O ALA A 7 -7.981 -12.900 12.062 1.00 0.00 O ATOM 94 CB ALA A 7 -9.008 -15.578 13.599 1.00 0.00 C ATOM 0 H ALA A 7 -7.662 -15.329 15.625 1.00 0.00 H new ATOM 0 HA ALA A 7 -7.057 -15.112 12.890 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.448 -15.552 12.602 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.744 -16.605 13.852 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -9.729 -15.200 14.324 1.00 0.00 H new ATOM 100 N ALA A 8 -8.345 -12.455 14.249 1.00 0.00 N ATOM 101 CA ALA A 8 -8.643 -11.050 14.028 1.00 0.00 C ATOM 102 C ALA A 8 -7.375 -10.332 13.561 1.00 0.00 C ATOM 103 O ALA A 8 -7.448 -9.365 12.804 1.00 0.00 O ATOM 104 CB ALA A 8 -9.219 -10.443 15.309 1.00 0.00 C ATOM 0 H ALA A 8 -8.393 -12.753 15.223 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.394 -10.935 13.246 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.443 -9.389 15.144 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.134 -10.970 15.582 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.492 -10.537 16.115 1.00 0.00 H new ATOM 110 N ALA A 9 -6.242 -10.832 14.033 1.00 0.00 N ATOM 111 CA ALA A 9 -4.960 -10.249 13.673 1.00 0.00 C ATOM 112 C ALA A 9 -4.635 -10.601 12.219 1.00 0.00 C ATOM 113 O ALA A 9 -3.944 -9.848 11.535 1.00 0.00 O ATOM 114 CB ALA A 9 -3.886 -10.740 14.645 1.00 0.00 C ATOM 0 H ALA A 9 -6.185 -11.634 14.661 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.997 -9.162 13.749 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.924 -10.303 14.376 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.149 -10.441 15.660 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.818 -11.827 14.594 1.00 0.00 H new ATOM 120 N ILE A 10 -5.150 -11.744 11.791 1.00 0.00 N ATOM 121 CA ILE A 10 -4.924 -12.204 10.432 1.00 0.00 C ATOM 122 C ILE A 10 -5.859 -11.454 9.481 1.00 0.00 C ATOM 123 O ILE A 10 -5.408 -10.841 8.515 1.00 0.00 O ATOM 124 CB ILE A 10 -5.057 -13.726 10.352 1.00 0.00 C ATOM 125 CG1 ILE A 10 -3.700 -14.406 10.548 1.00 0.00 C ATOM 126 CG2 ILE A 10 -5.727 -14.150 9.043 1.00 0.00 C ATOM 127 CD1 ILE A 10 -3.634 -15.118 11.901 1.00 0.00 C ATOM 0 H ILE A 10 -5.723 -12.365 12.362 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.904 -11.979 10.119 1.00 0.00 H new ATOM 0 HB ILE A 10 -5.703 -14.056 11.166 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.530 -15.125 9.746 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.905 -13.663 10.485 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.809 -15.236 9.012 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -6.722 -13.709 8.984 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -5.128 -13.807 8.200 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.660 -15.593 12.015 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.780 -14.393 12.701 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.415 -15.876 11.952 1.00 0.00 H new ATOM 139 N ALA A 11 -7.146 -11.527 9.789 1.00 0.00 N ATOM 140 CA ALA A 11 -8.149 -10.863 8.975 1.00 0.00 C ATOM 141 C ALA A 11 -7.815 -9.373 8.875 1.00 0.00 C ATOM 142 O ALA A 11 -8.243 -8.698 7.940 1.00 0.00 O ATOM 143 CB ALA A 11 -9.536 -11.110 9.571 1.00 0.00 C ATOM 0 H ALA A 11 -7.517 -12.036 10.591 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.151 -11.269 7.963 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.289 -10.612 8.960 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.737 -12.181 9.593 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.572 -10.714 10.586 1.00 0.00 H new ATOM 149 N VAL A 12 -7.052 -8.904 9.852 1.00 0.00 N ATOM 150 CA VAL A 12 -6.655 -7.507 9.886 1.00 0.00 C ATOM 151 C VAL A 12 -5.560 -7.267 8.845 1.00 0.00 C ATOM 152 O VAL A 12 -5.655 -6.340 8.041 1.00 0.00 O ATOM 153 CB VAL A 12 -6.229 -7.119 11.303 1.00 0.00 C ATOM 154 CG1 VAL A 12 -4.976 -6.241 11.277 1.00 0.00 C ATOM 155 CG2 VAL A 12 -7.370 -6.424 12.048 1.00 0.00 C ATOM 0 H VAL A 12 -6.698 -9.467 10.626 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.496 -6.864 9.626 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.986 -8.034 11.842 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.694 -5.979 12.297 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.160 -6.786 10.803 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.181 -5.332 10.712 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.040 -6.159 13.053 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.658 -5.521 11.511 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.225 -7.097 12.112 1.00 0.00 H new ATOM 165 N GLY A 13 -4.545 -8.117 8.894 1.00 0.00 N ATOM 166 CA GLY A 13 -3.433 -8.009 7.965 1.00 0.00 C ATOM 167 C GLY A 13 -3.909 -8.167 6.519 1.00 0.00 C ATOM 168 O GLY A 13 -3.405 -7.498 5.619 1.00 0.00 O ATOM 0 H GLY A 13 -4.469 -8.884 9.563 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.945 -7.042 8.087 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.689 -8.773 8.192 1.00 0.00 H new ATOM 172 N LEU A 14 -4.874 -9.057 6.342 1.00 0.00 N ATOM 173 CA LEU A 14 -5.424 -9.312 5.021 1.00 0.00 C ATOM 174 C LEU A 14 -6.262 -8.111 4.582 1.00 0.00 C ATOM 175 O LEU A 14 -6.281 -7.760 3.403 1.00 0.00 O ATOM 176 CB LEU A 14 -6.191 -10.636 5.006 1.00 0.00 C ATOM 177 CG LEU A 14 -7.382 -10.711 4.049 1.00 0.00 C ATOM 178 CD1 LEU A 14 -6.922 -10.613 2.593 1.00 0.00 C ATOM 179 CD2 LEU A 14 -8.213 -11.970 4.304 1.00 0.00 C ATOM 0 H LEU A 14 -5.289 -9.611 7.091 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.623 -9.426 4.291 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.494 -11.434 4.750 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.549 -10.837 6.016 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.029 -9.855 4.241 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.788 -10.669 1.933 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.408 -9.665 2.437 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.242 -11.435 2.370 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.053 -11.998 3.610 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.591 -12.853 4.157 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.588 -11.957 5.327 1.00 0.00 H new ATOM 191 N GLY A 15 -6.936 -7.513 5.553 1.00 0.00 N ATOM 192 CA GLY A 15 -7.774 -6.358 5.281 1.00 0.00 C ATOM 193 C GLY A 15 -6.925 -5.133 4.936 1.00 0.00 C ATOM 194 O GLY A 15 -7.216 -4.422 3.975 1.00 0.00 O ATOM 0 H GLY A 15 -6.919 -7.807 6.530 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.449 -6.581 4.455 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.394 -6.142 6.151 1.00 0.00 H new ATOM 198 N ALA A 16 -5.892 -4.923 5.738 1.00 0.00 N ATOM 199 CA ALA A 16 -4.999 -3.796 5.530 1.00 0.00 C ATOM 200 C ALA A 16 -4.175 -4.032 4.262 1.00 0.00 C ATOM 201 O ALA A 16 -3.585 -3.100 3.718 1.00 0.00 O ATOM 202 CB ALA A 16 -4.121 -3.604 6.768 1.00 0.00 C ATOM 0 H ALA A 16 -5.653 -5.515 6.534 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.568 -2.877 5.388 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.451 -2.758 6.611 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.752 -3.411 7.635 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.533 -4.505 6.940 1.00 0.00 H new ATOM 208 N LEU A 17 -4.161 -5.284 3.828 1.00 0.00 N ATOM 209 CA LEU A 17 -3.419 -5.654 2.635 1.00 0.00 C ATOM 210 C LEU A 17 -4.121 -5.077 1.404 1.00 0.00 C ATOM 211 O LEU A 17 -3.526 -4.309 0.649 1.00 0.00 O ATOM 212 CB LEU A 17 -3.222 -7.170 2.575 1.00 0.00 C ATOM 213 CG LEU A 17 -2.691 -7.726 1.252 1.00 0.00 C ATOM 214 CD1 LEU A 17 -1.474 -8.624 1.484 1.00 0.00 C ATOM 215 CD2 LEU A 17 -3.796 -8.447 0.478 1.00 0.00 C ATOM 0 H LEU A 17 -4.652 -6.055 4.281 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.417 -5.226 2.662 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.534 -7.459 3.370 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.177 -7.649 2.790 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.361 -6.889 0.637 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.116 -9.006 0.528 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.683 -8.048 1.963 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.755 -9.459 2.126 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.392 -8.833 -0.458 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.179 -9.274 1.076 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.605 -7.749 0.264 1.00 0.00 H new ATOM 227 N GLY A 18 -5.376 -5.468 1.240 1.00 0.00 N ATOM 228 CA GLY A 18 -6.165 -4.999 0.114 1.00 0.00 C ATOM 229 C GLY A 18 -6.632 -3.559 0.333 1.00 0.00 C ATOM 230 O GLY A 18 -6.888 -2.832 -0.625 1.00 0.00 O ATOM 0 H GLY A 18 -5.866 -6.105 1.868 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.573 -5.058 -0.799 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.030 -5.648 -0.024 1.00 0.00 H new ATOM 234 N ALA A 19 -6.730 -3.190 1.602 1.00 0.00 N ATOM 235 CA ALA A 19 -7.162 -1.849 1.960 1.00 0.00 C ATOM 236 C ALA A 19 -6.031 -0.860 1.674 1.00 0.00 C ATOM 237 O ALA A 19 -6.235 0.141 0.989 1.00 0.00 O ATOM 238 CB ALA A 19 -7.599 -1.828 3.426 1.00 0.00 C ATOM 0 H ALA A 19 -6.518 -3.796 2.395 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.021 -1.549 1.360 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.923 -0.823 3.695 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.424 -2.526 3.570 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.762 -2.121 4.059 1.00 0.00 H new ATOM 244 N GLY A 20 -4.862 -1.174 2.214 1.00 0.00 N ATOM 245 CA GLY A 20 -3.698 -0.325 2.026 1.00 0.00 C ATOM 246 C GLY A 20 -3.455 -0.050 0.540 1.00 0.00 C ATOM 247 O GLY A 20 -3.333 1.104 0.131 1.00 0.00 O ATOM 0 H GLY A 20 -4.696 -2.005 2.782 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.841 0.617 2.555 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.820 -0.804 2.459 1.00 0.00 H new ATOM 251 N ILE A 21 -3.392 -1.129 -0.226 1.00 0.00 N ATOM 252 CA ILE A 21 -3.166 -1.018 -1.657 1.00 0.00 C ATOM 253 C ILE A 21 -4.159 -0.016 -2.250 1.00 0.00 C ATOM 254 O ILE A 21 -3.867 0.633 -3.254 1.00 0.00 O ATOM 255 CB ILE A 21 -3.217 -2.397 -2.317 1.00 0.00 C ATOM 256 CG1 ILE A 21 -2.308 -2.452 -3.546 1.00 0.00 C ATOM 257 CG2 ILE A 21 -4.657 -2.792 -2.651 1.00 0.00 C ATOM 258 CD1 ILE A 21 -0.879 -2.833 -3.154 1.00 0.00 C ATOM 0 H ILE A 21 -3.493 -2.084 0.117 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.166 -0.632 -1.855 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.839 -3.130 -1.605 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -2.699 -3.177 -4.260 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.306 -1.483 -4.045 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.665 -3.776 -3.119 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.248 -2.821 -1.736 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.085 -2.061 -3.336 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.253 -2.865 -4.046 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.483 -2.093 -2.459 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.882 -3.813 -2.677 1.00 0.00 H new ATOM 270 N GLY A 22 -5.312 0.080 -1.604 1.00 0.00 N ATOM 271 CA GLY A 22 -6.349 0.992 -2.054 1.00 0.00 C ATOM 272 C GLY A 22 -5.981 2.442 -1.735 1.00 0.00 C ATOM 273 O GLY A 22 -6.257 3.344 -2.524 1.00 0.00 O ATOM 0 H GLY A 22 -5.551 -0.459 -0.772 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.497 0.879 -3.128 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.294 0.739 -1.574 1.00 0.00 H new ATOM 277 N ASN A 23 -5.364 2.620 -0.576 1.00 0.00 N ATOM 278 CA ASN A 23 -4.955 3.946 -0.143 1.00 0.00 C ATOM 279 C ASN A 23 -3.731 4.386 -0.947 1.00 0.00 C ATOM 280 O ASN A 23 -3.483 5.581 -1.104 1.00 0.00 O ATOM 281 CB ASN A 23 -4.572 3.947 1.339 1.00 0.00 C ATOM 282 CG ASN A 23 -5.594 4.728 2.168 1.00 0.00 C ATOM 283 OD1 ASN A 23 -6.523 4.177 2.735 1.00 0.00 O ATOM 284 ND2 ASN A 23 -5.371 6.038 2.207 1.00 0.00 N ATOM 0 H ASN A 23 -5.137 1.869 0.076 1.00 0.00 H new ATOM 0 HA ASN A 23 -5.793 4.625 -0.300 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -4.510 2.921 1.703 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.583 4.389 1.463 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -5.997 6.646 2.735 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -4.574 6.435 1.709 1.00 0.00 H new ATOM 291 N GLY A 24 -2.997 3.397 -1.437 1.00 0.00 N ATOM 292 CA GLY A 24 -1.805 3.667 -2.222 1.00 0.00 C ATOM 293 C GLY A 24 -2.170 4.073 -3.652 1.00 0.00 C ATOM 294 O GLY A 24 -1.460 4.859 -4.278 1.00 0.00 O ATOM 0 H GLY A 24 -3.205 2.407 -1.305 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.227 4.462 -1.751 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.170 2.781 -2.242 1.00 0.00 H new ATOM 298 N LEU A 25 -3.275 3.519 -4.126 1.00 0.00 N ATOM 299 CA LEU A 25 -3.743 3.813 -5.470 1.00 0.00 C ATOM 300 C LEU A 25 -4.398 5.195 -5.486 1.00 0.00 C ATOM 301 O LEU A 25 -4.302 5.921 -6.475 1.00 0.00 O ATOM 302 CB LEU A 25 -4.655 2.694 -5.977 1.00 0.00 C ATOM 303 CG LEU A 25 -4.007 1.316 -6.127 1.00 0.00 C ATOM 304 CD1 LEU A 25 -4.943 0.213 -5.628 1.00 0.00 C ATOM 305 CD2 LEU A 25 -3.555 1.077 -7.569 1.00 0.00 C ATOM 0 H LEU A 25 -3.861 2.868 -3.604 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.905 3.849 -6.166 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.500 2.604 -5.294 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.058 2.991 -6.945 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.115 1.288 -5.502 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.458 -0.756 -5.746 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.172 0.379 -4.575 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.866 0.230 -6.207 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.098 0.091 -7.648 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.417 1.132 -8.234 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.828 1.838 -7.853 1.00 0.00 H new ATOM 317 N ILE A 26 -5.051 5.519 -4.379 1.00 0.00 N ATOM 318 CA ILE A 26 -5.722 6.801 -4.253 1.00 0.00 C ATOM 319 C ILE A 26 -4.682 7.923 -4.296 1.00 0.00 C ATOM 320 O ILE A 26 -4.883 8.936 -4.964 1.00 0.00 O ATOM 321 CB ILE A 26 -6.601 6.825 -3.001 1.00 0.00 C ATOM 322 CG1 ILE A 26 -7.845 5.955 -3.188 1.00 0.00 C ATOM 323 CG2 ILE A 26 -6.960 8.261 -2.611 1.00 0.00 C ATOM 324 CD1 ILE A 26 -8.709 6.472 -4.340 1.00 0.00 C ATOM 0 H ILE A 26 -5.129 4.915 -3.561 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.399 6.961 -5.093 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.031 6.399 -2.175 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -7.546 4.926 -3.386 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.428 5.946 -2.267 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.585 8.250 -1.718 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.048 8.822 -2.408 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.503 8.735 -3.428 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.587 5.835 -4.451 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.026 7.493 -4.127 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -8.131 6.457 -5.264 1.00 0.00 H new ATOM 336 N VAL A 27 -3.592 7.703 -3.575 1.00 0.00 N ATOM 337 CA VAL A 27 -2.520 8.683 -3.523 1.00 0.00 C ATOM 338 C VAL A 27 -1.805 8.723 -4.874 1.00 0.00 C ATOM 339 O VAL A 27 -1.398 9.789 -5.334 1.00 0.00 O ATOM 340 CB VAL A 27 -1.579 8.367 -2.358 1.00 0.00 C ATOM 341 CG1 VAL A 27 -0.909 7.005 -2.548 1.00 0.00 C ATOM 342 CG2 VAL A 27 -0.536 9.471 -2.181 1.00 0.00 C ATOM 0 H VAL A 27 -3.428 6.861 -3.023 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.922 9.679 -3.339 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.177 8.322 -1.448 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.246 6.805 -1.706 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.672 6.228 -2.601 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.331 7.010 -3.472 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.120 9.222 -1.347 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.055 9.563 -3.092 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.038 10.417 -1.978 1.00 0.00 H new ATOM 352 N SER A 28 -1.674 7.549 -5.474 1.00 0.00 N ATOM 353 CA SER A 28 -1.015 7.436 -6.764 1.00 0.00 C ATOM 354 C SER A 28 -1.844 8.142 -7.838 1.00 0.00 C ATOM 355 O SER A 28 -1.298 8.636 -8.824 1.00 0.00 O ATOM 356 CB SER A 28 -0.792 5.971 -7.143 1.00 0.00 C ATOM 357 OG SER A 28 -2.002 5.333 -7.543 1.00 0.00 O ATOM 0 H SER A 28 -2.013 6.667 -5.090 1.00 0.00 H new ATOM 0 HA SER A 28 -0.039 7.916 -6.693 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.066 5.913 -7.954 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.365 5.438 -6.294 1.00 0.00 H new ATOM 0 HG SER A 28 -2.767 5.818 -7.169 1.00 0.00 H new ATOM 363 N ARG A 29 -3.149 8.168 -7.612 1.00 0.00 N ATOM 364 CA ARG A 29 -4.059 8.805 -8.548 1.00 0.00 C ATOM 365 C ARG A 29 -4.032 10.324 -8.364 1.00 0.00 C ATOM 366 O ARG A 29 -4.118 11.072 -9.337 1.00 0.00 O ATOM 367 CB ARG A 29 -5.490 8.300 -8.356 1.00 0.00 C ATOM 368 CG ARG A 29 -6.107 7.878 -9.691 1.00 0.00 C ATOM 369 CD ARG A 29 -6.690 9.084 -10.431 1.00 0.00 C ATOM 370 NE ARG A 29 -7.965 8.710 -11.083 1.00 0.00 N ATOM 371 CZ ARG A 29 -8.667 9.524 -11.882 1.00 0.00 C ATOM 372 NH1 ARG A 29 -8.223 10.763 -12.133 1.00 0.00 N ATOM 373 NH2 ARG A 29 -9.814 9.099 -12.431 1.00 0.00 N ATOM 0 H ARG A 29 -3.598 7.758 -6.793 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.729 8.552 -9.556 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.492 7.455 -7.667 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.098 9.083 -7.902 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.349 7.398 -10.310 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.890 7.140 -9.517 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.856 9.904 -9.733 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.981 9.440 -11.178 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.332 7.774 -10.913 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.350 11.086 -11.716 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.758 11.383 -12.742 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.152 8.156 -12.240 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.349 9.719 -13.039 1.00 0.00 H new ATOM 387 N THR A 30 -3.913 10.734 -7.110 1.00 0.00 N ATOM 388 CA THR A 30 -3.874 12.150 -6.786 1.00 0.00 C ATOM 389 C THR A 30 -2.560 12.770 -7.265 1.00 0.00 C ATOM 390 O THR A 30 -2.539 13.912 -7.723 1.00 0.00 O ATOM 391 CB THR A 30 -4.102 12.297 -5.280 1.00 0.00 C ATOM 392 OG1 THR A 30 -4.832 13.515 -5.157 1.00 0.00 O ATOM 393 CG2 THR A 30 -2.804 12.562 -4.514 1.00 0.00 C ATOM 0 H THR A 30 -3.842 10.110 -6.306 1.00 0.00 H new ATOM 0 HA THR A 30 -4.663 12.696 -7.303 1.00 0.00 H new ATOM 0 HB THR A 30 -4.573 11.393 -4.894 1.00 0.00 H new ATOM 0 HG1 THR A 30 -5.024 13.687 -4.212 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.022 12.658 -3.450 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.114 11.733 -4.669 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.350 13.484 -4.876 1.00 0.00 H new ATOM 401 N ILE A 31 -1.496 11.991 -7.143 1.00 0.00 N ATOM 402 CA ILE A 31 -0.181 12.450 -7.557 1.00 0.00 C ATOM 403 C ILE A 31 -0.139 12.552 -9.083 1.00 0.00 C ATOM 404 O ILE A 31 0.476 13.466 -9.631 1.00 0.00 O ATOM 405 CB ILE A 31 0.910 11.551 -6.971 1.00 0.00 C ATOM 406 CG1 ILE A 31 2.228 12.314 -6.823 1.00 0.00 C ATOM 407 CG2 ILE A 31 1.075 10.277 -7.802 1.00 0.00 C ATOM 408 CD1 ILE A 31 2.222 13.178 -5.560 1.00 0.00 C ATOM 0 H ILE A 31 -1.517 11.045 -6.763 1.00 0.00 H new ATOM 0 HA ILE A 31 0.015 13.448 -7.164 1.00 0.00 H new ATOM 0 HB ILE A 31 0.601 11.246 -5.971 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.058 11.609 -6.782 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.388 12.944 -7.698 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.856 9.656 -7.364 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.135 9.725 -7.812 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.351 10.542 -8.823 1.00 0.00 H new ATOM 0 HD11 ILE A 31 3.170 13.710 -5.478 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.406 13.898 -5.616 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.086 12.542 -4.685 1.00 0.00 H new ATOM 420 N GLU A 32 -0.801 11.602 -9.727 1.00 0.00 N ATOM 421 CA GLU A 32 -0.847 11.574 -11.179 1.00 0.00 C ATOM 422 C GLU A 32 -1.659 12.758 -11.707 1.00 0.00 C ATOM 423 O GLU A 32 -1.419 13.235 -12.815 1.00 0.00 O ATOM 424 CB GLU A 32 -1.420 10.248 -11.683 1.00 0.00 C ATOM 425 CG GLU A 32 -0.320 9.366 -12.278 1.00 0.00 C ATOM 426 CD GLU A 32 -0.792 8.698 -13.571 1.00 0.00 C ATOM 427 OE1 GLU A 32 -1.473 7.656 -13.456 1.00 0.00 O ATOM 428 OE2 GLU A 32 -0.460 9.244 -14.645 1.00 0.00 O ATOM 0 H GLU A 32 -1.310 10.846 -9.270 1.00 0.00 H new ATOM 0 HA GLU A 32 0.172 11.660 -11.558 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.908 9.723 -10.862 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -2.184 10.441 -12.436 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.566 9.969 -12.478 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.030 8.603 -11.555 1.00 0.00 H new ATOM 435 N GLY A 33 -2.603 13.199 -10.889 1.00 0.00 N ATOM 436 CA GLY A 33 -3.451 14.319 -11.260 1.00 0.00 C ATOM 437 C GLY A 33 -2.648 15.620 -11.318 1.00 0.00 C ATOM 438 O GLY A 33 -2.757 16.378 -12.281 1.00 0.00 O ATOM 0 H GLY A 33 -2.799 12.801 -9.971 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.909 14.127 -12.230 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.262 14.420 -10.539 1.00 0.00 H new ATOM 442 N ILE A 34 -1.859 15.838 -10.277 1.00 0.00 N ATOM 443 CA ILE A 34 -1.038 17.034 -10.197 1.00 0.00 C ATOM 444 C ILE A 34 0.100 16.935 -11.215 1.00 0.00 C ATOM 445 O ILE A 34 0.499 17.937 -11.806 1.00 0.00 O ATOM 446 CB ILE A 34 -0.561 17.262 -8.762 1.00 0.00 C ATOM 447 CG1 ILE A 34 0.699 16.445 -8.466 1.00 0.00 C ATOM 448 CG2 ILE A 34 -1.680 16.973 -7.759 1.00 0.00 C ATOM 449 CD1 ILE A 34 1.960 17.284 -8.685 1.00 0.00 C ATOM 0 H ILE A 34 -1.771 15.206 -9.481 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.624 17.916 -10.457 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.296 18.314 -8.654 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.671 16.086 -7.437 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.726 15.566 -9.110 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.314 17.143 -6.746 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.524 17.634 -7.955 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.000 15.936 -7.860 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.841 16.680 -8.468 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.997 17.621 -9.721 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.941 18.149 -8.022 1.00 0.00 H new ATOM 461 N ALA A 35 0.591 15.716 -11.388 1.00 0.00 N ATOM 462 CA ALA A 35 1.675 15.473 -12.324 1.00 0.00 C ATOM 463 C ALA A 35 1.241 15.907 -13.726 1.00 0.00 C ATOM 464 O ALA A 35 2.078 16.228 -14.568 1.00 0.00 O ATOM 465 CB ALA A 35 2.076 13.997 -12.269 1.00 0.00 C ATOM 0 H ALA A 35 0.258 14.887 -10.896 1.00 0.00 H new ATOM 0 HA ALA A 35 2.553 16.060 -12.054 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.889 13.815 -12.971 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.404 13.747 -11.260 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.220 13.377 -12.536 1.00 0.00 H new ATOM 471 N ARG A 36 -0.068 15.902 -13.933 1.00 0.00 N ATOM 472 CA ARG A 36 -0.624 16.291 -15.217 1.00 0.00 C ATOM 473 C ARG A 36 -0.043 17.635 -15.662 1.00 0.00 C ATOM 474 O ARG A 36 0.402 17.777 -16.800 1.00 0.00 O ATOM 475 CB ARG A 36 -2.148 16.401 -15.148 1.00 0.00 C ATOM 476 CG ARG A 36 -2.786 15.030 -14.913 1.00 0.00 C ATOM 477 CD ARG A 36 -4.169 14.950 -15.563 1.00 0.00 C ATOM 478 NE ARG A 36 -4.030 14.732 -17.021 1.00 0.00 N ATOM 479 CZ ARG A 36 -4.974 15.042 -17.920 1.00 0.00 C ATOM 480 NH1 ARG A 36 -6.131 15.586 -17.516 1.00 0.00 N ATOM 481 NH2 ARG A 36 -4.762 14.808 -19.222 1.00 0.00 N ATOM 0 H ARG A 36 -0.759 15.634 -13.232 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.359 15.519 -15.939 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.431 17.081 -14.344 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.528 16.829 -16.076 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.143 14.251 -15.322 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.872 14.844 -13.843 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.743 14.137 -15.118 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.722 15.870 -15.375 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.161 14.320 -17.362 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.292 15.764 -16.525 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.850 15.822 -18.200 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.882 14.394 -19.529 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.481 15.044 -19.906 1.00 0.00 H new ATOM 495 N GLN A 37 -0.065 18.587 -14.741 1.00 0.00 N ATOM 496 CA GLN A 37 0.454 19.914 -15.024 1.00 0.00 C ATOM 497 C GLN A 37 1.804 19.815 -15.737 1.00 0.00 C ATOM 498 O GLN A 37 2.457 18.774 -15.696 1.00 0.00 O ATOM 499 CB GLN A 37 0.570 20.742 -13.743 1.00 0.00 C ATOM 500 CG GLN A 37 -0.711 21.538 -13.486 1.00 0.00 C ATOM 501 CD GLN A 37 -0.418 22.806 -12.682 1.00 0.00 C ATOM 502 OE1 GLN A 37 0.709 23.263 -12.585 1.00 0.00 O ATOM 503 NE2 GLN A 37 -1.491 23.347 -12.113 1.00 0.00 N ATOM 0 H GLN A 37 -0.434 18.466 -13.798 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.247 20.424 -15.685 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.769 20.084 -12.897 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.416 21.424 -13.822 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.174 21.805 -14.436 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.426 20.918 -12.946 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -2.406 22.913 -12.234 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -1.399 24.196 -11.555 1.00 0.00 H new ATOM 512 N PRO A 38 2.192 20.942 -16.392 1.00 0.00 N ATOM 513 CA PRO A 38 3.452 20.993 -17.114 1.00 0.00 C ATOM 514 C PRO A 38 4.633 21.106 -16.147 1.00 0.00 C ATOM 515 O PRO A 38 5.599 20.351 -16.250 1.00 0.00 O ATOM 516 CB PRO A 38 3.328 22.190 -18.041 1.00 0.00 C ATOM 517 CG PRO A 38 2.198 23.038 -17.478 1.00 0.00 C ATOM 518 CD PRO A 38 1.444 22.194 -16.463 1.00 0.00 C ATOM 0 HA PRO A 38 3.647 20.084 -17.684 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.260 22.755 -18.077 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.108 21.873 -19.061 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.594 23.938 -17.007 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.530 23.363 -18.276 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.403 22.686 -15.491 1.00 0.00 H new ATOM 0 HD3 PRO A 38 0.414 22.023 -16.777 1.00 0.00 H new ATOM 526 N GLU A 39 4.517 22.055 -15.230 1.00 0.00 N ATOM 527 CA GLU A 39 5.563 22.276 -14.246 1.00 0.00 C ATOM 528 C GLU A 39 5.783 21.013 -13.411 1.00 0.00 C ATOM 529 O GLU A 39 6.814 20.869 -12.756 1.00 0.00 O ATOM 530 CB GLU A 39 5.230 23.472 -13.352 1.00 0.00 C ATOM 531 CG GLU A 39 6.501 24.085 -12.760 1.00 0.00 C ATOM 532 CD GLU A 39 6.339 24.342 -11.261 1.00 0.00 C ATOM 533 OE1 GLU A 39 5.282 24.895 -10.890 1.00 0.00 O ATOM 534 OE2 GLU A 39 7.277 23.978 -10.518 1.00 0.00 O ATOM 0 H GLU A 39 3.715 22.680 -15.148 1.00 0.00 H new ATOM 0 HA GLU A 39 6.489 22.504 -14.774 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.694 24.225 -13.930 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.566 23.156 -12.548 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.345 23.416 -12.929 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.730 25.021 -13.270 1.00 0.00 H new ATOM 541 N LEU A 40 4.797 20.129 -13.463 1.00 0.00 N ATOM 542 CA LEU A 40 4.870 18.882 -12.720 1.00 0.00 C ATOM 543 C LEU A 40 5.187 17.737 -13.683 1.00 0.00 C ATOM 544 O LEU A 40 4.731 16.612 -13.487 1.00 0.00 O ATOM 545 CB LEU A 40 3.591 18.667 -11.908 1.00 0.00 C ATOM 546 CG LEU A 40 3.358 19.642 -10.752 1.00 0.00 C ATOM 547 CD1 LEU A 40 4.663 20.325 -10.340 1.00 0.00 C ATOM 548 CD2 LEU A 40 2.266 20.654 -11.101 1.00 0.00 C ATOM 0 H LEU A 40 3.944 20.252 -14.008 1.00 0.00 H new ATOM 0 HA LEU A 40 5.680 18.919 -11.992 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.740 18.728 -12.586 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.606 17.654 -11.505 1.00 0.00 H new ATOM 0 HG LEU A 40 3.007 19.074 -9.891 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.470 21.013 -9.517 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.383 19.571 -10.022 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.067 20.878 -11.188 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.120 21.335 -10.263 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.564 21.222 -11.982 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.334 20.127 -11.307 1.00 0.00 H new ATOM 560 N ARG A 41 5.966 18.064 -14.704 1.00 0.00 N ATOM 561 CA ARG A 41 6.350 17.077 -15.699 1.00 0.00 C ATOM 562 C ARG A 41 7.146 15.946 -15.045 1.00 0.00 C ATOM 563 O ARG A 41 6.932 14.774 -15.350 1.00 0.00 O ATOM 564 CB ARG A 41 7.193 17.710 -16.807 1.00 0.00 C ATOM 565 CG ARG A 41 7.036 16.943 -18.122 1.00 0.00 C ATOM 566 CD ARG A 41 7.882 15.668 -18.116 1.00 0.00 C ATOM 567 NE ARG A 41 8.273 15.313 -19.499 1.00 0.00 N ATOM 568 CZ ARG A 41 7.510 14.596 -20.334 1.00 0.00 C ATOM 569 NH1 ARG A 41 6.311 14.152 -19.933 1.00 0.00 N ATOM 570 NH2 ARG A 41 7.945 14.322 -21.571 1.00 0.00 N ATOM 0 H ARG A 41 6.342 18.999 -14.864 1.00 0.00 H new ATOM 0 HA ARG A 41 5.436 16.676 -16.138 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.893 18.748 -16.949 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.242 17.719 -16.510 1.00 0.00 H new ATOM 0 HG2 ARG A 41 5.988 16.688 -18.275 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.335 17.578 -18.956 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.772 15.815 -17.504 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.318 14.850 -17.667 1.00 0.00 H new ATOM 0 HE ARG A 41 9.180 15.635 -19.837 1.00 0.00 H new ATOM 0 HH11 ARG A 41 5.979 14.360 -18.991 1.00 0.00 H new ATOM 0 HH12 ARG A 41 5.730 13.606 -20.569 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.858 14.659 -21.877 1.00 0.00 H new ATOM 0 HH22 ARG A 41 7.364 13.776 -22.207 1.00 0.00 H new ATOM 584 N PRO A 42 8.073 16.348 -14.134 1.00 0.00 N ATOM 585 CA PRO A 42 8.902 15.382 -13.434 1.00 0.00 C ATOM 586 C PRO A 42 8.103 14.654 -12.352 1.00 0.00 C ATOM 587 O PRO A 42 8.504 13.587 -11.889 1.00 0.00 O ATOM 588 CB PRO A 42 10.061 16.190 -12.874 1.00 0.00 C ATOM 589 CG PRO A 42 9.600 17.639 -12.882 1.00 0.00 C ATOM 590 CD PRO A 42 8.354 17.727 -13.747 1.00 0.00 C ATOM 0 HA PRO A 42 9.266 14.589 -14.088 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.312 15.865 -11.864 1.00 0.00 H new ATOM 0 HB3 PRO A 42 10.957 16.062 -13.482 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.385 17.977 -11.868 1.00 0.00 H new ATOM 0 HG3 PRO A 42 10.384 18.287 -13.275 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.520 18.162 -13.196 1.00 0.00 H new ATOM 0 HD3 PRO A 42 8.522 18.357 -14.620 1.00 0.00 H new ATOM 598 N VAL A 43 6.985 15.260 -11.979 1.00 0.00 N ATOM 599 CA VAL A 43 6.125 14.683 -10.959 1.00 0.00 C ATOM 600 C VAL A 43 5.591 13.336 -11.451 1.00 0.00 C ATOM 601 O VAL A 43 5.305 12.448 -10.649 1.00 0.00 O ATOM 602 CB VAL A 43 5.014 15.669 -10.593 1.00 0.00 C ATOM 603 CG1 VAL A 43 4.076 15.072 -9.541 1.00 0.00 C ATOM 604 CG2 VAL A 43 5.597 17.000 -10.115 1.00 0.00 C ATOM 0 H VAL A 43 6.655 16.145 -12.365 1.00 0.00 H new ATOM 0 HA VAL A 43 6.689 14.495 -10.045 1.00 0.00 H new ATOM 0 HB VAL A 43 4.429 15.863 -11.492 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.295 15.793 -9.298 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.621 14.163 -9.933 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.643 14.835 -8.641 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.786 17.682 -9.861 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.217 16.830 -9.235 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.204 17.437 -10.908 1.00 0.00 H new ATOM 614 N LEU A 44 5.473 13.227 -12.766 1.00 0.00 N ATOM 615 CA LEU A 44 4.979 12.003 -13.374 1.00 0.00 C ATOM 616 C LEU A 44 5.809 10.819 -12.874 1.00 0.00 C ATOM 617 O LEU A 44 5.261 9.772 -12.533 1.00 0.00 O ATOM 618 CB LEU A 44 4.951 12.135 -14.898 1.00 0.00 C ATOM 619 CG LEU A 44 3.574 12.026 -15.555 1.00 0.00 C ATOM 620 CD1 LEU A 44 3.343 13.175 -16.538 1.00 0.00 C ATOM 621 CD2 LEU A 44 3.390 10.659 -16.218 1.00 0.00 C ATOM 0 H LEU A 44 5.711 13.966 -13.427 1.00 0.00 H new ATOM 0 HA LEU A 44 3.947 11.818 -13.074 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.385 13.098 -15.168 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.596 11.365 -15.322 1.00 0.00 H new ATOM 0 HG LEU A 44 2.816 12.111 -14.776 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.357 13.074 -16.991 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.403 14.125 -16.007 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.105 13.146 -17.317 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.403 10.607 -16.678 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.154 10.520 -16.983 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.482 9.875 -15.466 1.00 0.00 H new ATOM 633 N GLN A 45 7.118 11.025 -12.846 1.00 0.00 N ATOM 634 CA GLN A 45 8.029 9.987 -12.393 1.00 0.00 C ATOM 635 C GLN A 45 7.796 9.685 -10.912 1.00 0.00 C ATOM 636 O GLN A 45 7.925 8.541 -10.480 1.00 0.00 O ATOM 637 CB GLN A 45 9.484 10.385 -12.650 1.00 0.00 C ATOM 638 CG GLN A 45 9.661 10.929 -14.069 1.00 0.00 C ATOM 639 CD GLN A 45 11.076 10.659 -14.586 1.00 0.00 C ATOM 640 OE1 GLN A 45 11.355 9.645 -15.205 1.00 0.00 O ATOM 641 NE2 GLN A 45 11.949 11.620 -14.299 1.00 0.00 N ATOM 0 H GLN A 45 7.569 11.895 -13.129 1.00 0.00 H new ATOM 0 HA GLN A 45 7.829 9.080 -12.964 1.00 0.00 H new ATOM 0 HB2 GLN A 45 9.792 11.140 -11.926 1.00 0.00 H new ATOM 0 HB3 GLN A 45 10.132 9.521 -12.504 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.932 10.465 -14.734 1.00 0.00 H new ATOM 0 HG3 GLN A 45 9.465 12.001 -14.079 1.00 0.00 H new ATOM 0 HE21 GLN A 45 11.648 12.443 -13.777 1.00 0.00 H new ATOM 0 HE22 GLN A 45 12.920 11.534 -14.601 1.00 0.00 H new ATOM 650 N THR A 46 7.456 10.732 -10.173 1.00 0.00 N ATOM 651 CA THR A 46 7.204 10.593 -8.749 1.00 0.00 C ATOM 652 C THR A 46 6.020 9.656 -8.506 1.00 0.00 C ATOM 653 O THR A 46 5.970 8.964 -7.490 1.00 0.00 O ATOM 654 CB THR A 46 7.001 11.993 -8.166 1.00 0.00 C ATOM 655 OG1 THR A 46 7.972 12.082 -7.128 1.00 0.00 O ATOM 656 CG2 THR A 46 5.663 12.135 -7.438 1.00 0.00 C ATOM 0 H THR A 46 7.349 11.680 -10.534 1.00 0.00 H new ATOM 0 HA THR A 46 8.051 10.133 -8.240 1.00 0.00 H new ATOM 0 HB THR A 46 7.059 12.731 -8.966 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.911 12.960 -6.697 1.00 0.00 H new ATOM 0 HG21 THR A 46 5.569 13.147 -7.043 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.847 11.940 -8.134 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.618 11.420 -6.617 1.00 0.00 H new ATOM 664 N THR A 47 5.096 9.663 -9.456 1.00 0.00 N ATOM 665 CA THR A 47 3.915 8.822 -9.358 1.00 0.00 C ATOM 666 C THR A 47 4.270 7.367 -9.670 1.00 0.00 C ATOM 667 O THR A 47 3.705 6.446 -9.082 1.00 0.00 O ATOM 668 CB THR A 47 2.845 9.399 -10.285 1.00 0.00 C ATOM 669 OG1 THR A 47 3.230 8.950 -11.582 1.00 0.00 O ATOM 670 CG2 THR A 47 2.916 10.925 -10.384 1.00 0.00 C ATOM 0 H THR A 47 5.141 10.238 -10.297 1.00 0.00 H new ATOM 0 HA THR A 47 3.516 8.816 -8.344 1.00 0.00 H new ATOM 0 HB THR A 47 1.859 9.104 -9.928 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.823 9.612 -11.995 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.135 11.283 -11.054 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.773 11.361 -9.395 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.891 11.219 -10.773 1.00 0.00 H new ATOM 678 N MET A 48 5.203 7.204 -10.596 1.00 0.00 N ATOM 679 CA MET A 48 5.640 5.877 -10.994 1.00 0.00 C ATOM 680 C MET A 48 6.297 5.142 -9.824 1.00 0.00 C ATOM 681 O MET A 48 6.059 3.952 -9.622 1.00 0.00 O ATOM 682 CB MET A 48 6.637 5.992 -12.149 1.00 0.00 C ATOM 683 CG MET A 48 6.085 5.336 -13.417 1.00 0.00 C ATOM 684 SD MET A 48 7.118 5.743 -14.814 1.00 0.00 S ATOM 685 CE MET A 48 5.986 5.393 -16.149 1.00 0.00 C ATOM 0 H MET A 48 5.669 7.970 -11.083 1.00 0.00 H new ATOM 0 HA MET A 48 4.766 5.308 -11.312 1.00 0.00 H new ATOM 0 HB2 MET A 48 6.854 7.042 -12.344 1.00 0.00 H new ATOM 0 HB3 MET A 48 7.578 5.518 -11.870 1.00 0.00 H new ATOM 0 HG2 MET A 48 6.043 4.254 -13.288 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.065 5.675 -13.597 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.474 5.595 -17.102 1.00 0.00 H new ATOM 0 HE2 MET A 48 5.689 4.345 -16.109 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.103 6.025 -16.052 1.00 0.00 H new ATOM 695 N PHE A 49 7.110 5.881 -9.084 1.00 0.00 N ATOM 696 CA PHE A 49 7.803 5.315 -7.940 1.00 0.00 C ATOM 697 C PHE A 49 6.841 5.094 -6.770 1.00 0.00 C ATOM 698 O PHE A 49 7.010 4.158 -5.991 1.00 0.00 O ATOM 699 CB PHE A 49 8.874 6.324 -7.521 1.00 0.00 C ATOM 700 CG PHE A 49 10.286 5.964 -7.989 1.00 0.00 C ATOM 701 CD1 PHE A 49 10.611 6.060 -9.306 1.00 0.00 C ATOM 702 CD2 PHE A 49 11.215 5.547 -7.087 1.00 0.00 C ATOM 703 CE1 PHE A 49 11.921 5.726 -9.740 1.00 0.00 C ATOM 704 CE2 PHE A 49 12.525 5.213 -7.522 1.00 0.00 C ATOM 705 CZ PHE A 49 12.850 5.309 -8.839 1.00 0.00 C ATOM 0 H PHE A 49 7.304 6.868 -9.255 1.00 0.00 H new ATOM 0 HA PHE A 49 8.235 4.351 -8.207 1.00 0.00 H new ATOM 0 HB2 PHE A 49 8.610 7.304 -7.918 1.00 0.00 H new ATOM 0 HB3 PHE A 49 8.873 6.409 -6.434 1.00 0.00 H new ATOM 0 HD1 PHE A 49 9.873 6.390 -10.022 1.00 0.00 H new ATOM 0 HD2 PHE A 49 10.957 5.470 -6.041 1.00 0.00 H new ATOM 0 HE1 PHE A 49 12.180 5.803 -10.786 1.00 0.00 H new ATOM 0 HE2 PHE A 49 13.263 4.883 -6.807 1.00 0.00 H new ATOM 0 HZ PHE A 49 13.846 5.054 -9.169 1.00 0.00 H new ATOM 715 N ILE A 50 5.853 5.973 -6.685 1.00 0.00 N ATOM 716 CA ILE A 50 4.864 5.886 -5.624 1.00 0.00 C ATOM 717 C ILE A 50 3.986 4.654 -5.851 1.00 0.00 C ATOM 718 O ILE A 50 3.619 3.966 -4.900 1.00 0.00 O ATOM 719 CB ILE A 50 4.075 7.193 -5.519 1.00 0.00 C ATOM 720 CG1 ILE A 50 4.103 7.737 -4.090 1.00 0.00 C ATOM 721 CG2 ILE A 50 2.647 7.014 -6.037 1.00 0.00 C ATOM 722 CD1 ILE A 50 5.463 8.357 -3.765 1.00 0.00 C ATOM 0 H ILE A 50 5.716 6.749 -7.333 1.00 0.00 H new ATOM 0 HA ILE A 50 5.352 5.756 -4.658 1.00 0.00 H new ATOM 0 HB ILE A 50 4.557 7.935 -6.155 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.320 8.485 -3.967 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.889 6.932 -3.387 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.108 7.957 -5.951 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.675 6.706 -7.082 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.139 6.251 -5.447 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.455 8.736 -2.743 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.241 7.600 -3.866 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.663 9.177 -4.454 1.00 0.00 H new ATOM 734 N GLY A 51 3.675 4.413 -7.116 1.00 0.00 N ATOM 735 CA GLY A 51 2.846 3.276 -7.480 1.00 0.00 C ATOM 736 C GLY A 51 3.505 1.961 -7.057 1.00 0.00 C ATOM 737 O GLY A 51 2.875 1.128 -6.407 1.00 0.00 O ATOM 0 H GLY A 51 3.982 4.986 -7.902 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.869 3.367 -7.005 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.678 3.273 -8.557 1.00 0.00 H new ATOM 741 N VAL A 52 4.764 1.816 -7.444 1.00 0.00 N ATOM 742 CA VAL A 52 5.514 0.616 -7.114 1.00 0.00 C ATOM 743 C VAL A 52 5.559 0.451 -5.593 1.00 0.00 C ATOM 744 O VAL A 52 5.223 -0.611 -5.071 1.00 0.00 O ATOM 745 CB VAL A 52 6.905 0.677 -7.750 1.00 0.00 C ATOM 746 CG1 VAL A 52 7.670 -0.628 -7.521 1.00 0.00 C ATOM 747 CG2 VAL A 52 6.811 1.004 -9.242 1.00 0.00 C ATOM 0 H VAL A 52 5.283 2.509 -7.983 1.00 0.00 H new ATOM 0 HA VAL A 52 5.023 -0.267 -7.523 1.00 0.00 H new ATOM 0 HB VAL A 52 7.461 1.480 -7.266 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.655 -0.558 -7.983 1.00 0.00 H new ATOM 0 HG12 VAL A 52 7.783 -0.801 -6.451 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.118 -1.456 -7.966 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.813 1.041 -9.670 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.229 0.233 -9.747 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.324 1.970 -9.373 1.00 0.00 H new ATOM 757 N ALA A 53 5.977 1.516 -4.926 1.00 0.00 N ATOM 758 CA ALA A 53 6.070 1.502 -3.476 1.00 0.00 C ATOM 759 C ALA A 53 4.728 1.064 -2.887 1.00 0.00 C ATOM 760 O ALA A 53 4.688 0.326 -1.904 1.00 0.00 O ATOM 761 CB ALA A 53 6.502 2.883 -2.979 1.00 0.00 C ATOM 0 H ALA A 53 6.255 2.395 -5.363 1.00 0.00 H new ATOM 0 HA ALA A 53 6.823 0.786 -3.147 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.572 2.873 -1.891 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.474 3.134 -3.403 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.768 3.627 -3.288 1.00 0.00 H new ATOM 767 N LEU A 54 3.660 1.537 -3.514 1.00 0.00 N ATOM 768 CA LEU A 54 2.320 1.203 -3.064 1.00 0.00 C ATOM 769 C LEU A 54 2.071 -0.291 -3.281 1.00 0.00 C ATOM 770 O LEU A 54 1.307 -0.910 -2.542 1.00 0.00 O ATOM 771 CB LEU A 54 1.287 2.103 -3.745 1.00 0.00 C ATOM 772 CG LEU A 54 0.371 1.423 -4.764 1.00 0.00 C ATOM 773 CD1 LEU A 54 -0.674 0.550 -4.066 1.00 0.00 C ATOM 774 CD2 LEU A 54 -0.271 2.451 -5.697 1.00 0.00 C ATOM 0 H LEU A 54 3.696 2.149 -4.330 1.00 0.00 H new ATOM 0 HA LEU A 54 2.219 1.392 -1.995 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.665 2.557 -2.973 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.815 2.914 -4.246 1.00 0.00 H new ATOM 0 HG LEU A 54 0.979 0.763 -5.383 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.312 0.078 -4.813 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.172 -0.220 -3.480 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.283 1.169 -3.407 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.917 1.941 -6.411 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.862 3.155 -5.111 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.508 2.991 -6.234 1.00 0.00 H new ATOM 786 N VAL A 55 2.730 -0.827 -4.298 1.00 0.00 N ATOM 787 CA VAL A 55 2.590 -2.236 -4.621 1.00 0.00 C ATOM 788 C VAL A 55 3.366 -3.069 -3.599 1.00 0.00 C ATOM 789 O VAL A 55 3.030 -4.226 -3.351 1.00 0.00 O ATOM 790 CB VAL A 55 3.037 -2.490 -6.062 1.00 0.00 C ATOM 791 CG1 VAL A 55 3.128 -3.989 -6.352 1.00 0.00 C ATOM 792 CG2 VAL A 55 2.105 -1.794 -7.056 1.00 0.00 C ATOM 0 H VAL A 55 3.362 -0.310 -4.909 1.00 0.00 H new ATOM 0 HA VAL A 55 1.545 -2.539 -4.561 1.00 0.00 H new ATOM 0 HB VAL A 55 4.033 -2.065 -6.183 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.448 -4.141 -7.383 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.850 -4.447 -5.676 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.151 -4.448 -6.204 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.445 -1.991 -8.073 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.091 -2.175 -6.932 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.114 -0.720 -6.872 1.00 0.00 H new ATOM 802 N GLU A 56 4.390 -2.448 -3.033 1.00 0.00 N ATOM 803 CA GLU A 56 5.217 -3.117 -2.043 1.00 0.00 C ATOM 804 C GLU A 56 4.474 -3.215 -0.709 1.00 0.00 C ATOM 805 O GLU A 56 4.991 -3.779 0.254 1.00 0.00 O ATOM 806 CB GLU A 56 6.557 -2.399 -1.872 1.00 0.00 C ATOM 807 CG GLU A 56 7.540 -2.804 -2.972 1.00 0.00 C ATOM 808 CD GLU A 56 8.852 -2.026 -2.849 1.00 0.00 C ATOM 809 OE1 GLU A 56 8.900 -0.903 -3.394 1.00 0.00 O ATOM 810 OE2 GLU A 56 9.778 -2.574 -2.211 1.00 0.00 O ATOM 0 H GLU A 56 4.666 -1.488 -3.241 1.00 0.00 H new ATOM 0 HA GLU A 56 5.426 -4.127 -2.396 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.402 -1.320 -1.897 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.979 -2.637 -0.896 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.740 -3.874 -2.910 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.094 -2.619 -3.949 1.00 0.00 H new ATOM 817 N ALA A 57 3.272 -2.658 -0.696 1.00 0.00 N ATOM 818 CA ALA A 57 2.452 -2.676 0.504 1.00 0.00 C ATOM 819 C ALA A 57 1.612 -3.955 0.524 1.00 0.00 C ATOM 820 O ALA A 57 1.151 -4.383 1.581 1.00 0.00 O ATOM 821 CB ALA A 57 1.591 -1.412 0.553 1.00 0.00 C ATOM 0 H ALA A 57 2.846 -2.192 -1.497 1.00 0.00 H new ATOM 0 HA ALA A 57 3.078 -2.679 1.396 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.976 -1.425 1.453 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.235 -0.533 0.567 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.947 -1.376 -0.326 1.00 0.00 H new ATOM 827 N LEU A 58 1.438 -4.529 -0.658 1.00 0.00 N ATOM 828 CA LEU A 58 0.661 -5.750 -0.789 1.00 0.00 C ATOM 829 C LEU A 58 1.396 -6.894 -0.088 1.00 0.00 C ATOM 830 O LEU A 58 0.820 -7.584 0.752 1.00 0.00 O ATOM 831 CB LEU A 58 0.348 -6.030 -2.261 1.00 0.00 C ATOM 832 CG LEU A 58 -1.109 -6.366 -2.584 1.00 0.00 C ATOM 833 CD1 LEU A 58 -2.062 -5.371 -1.919 1.00 0.00 C ATOM 834 CD2 LEU A 58 -1.329 -6.449 -4.096 1.00 0.00 C ATOM 0 H LEU A 58 1.822 -4.171 -1.533 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.305 -5.642 -0.296 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.637 -5.157 -2.846 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.974 -6.858 -2.594 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.333 -7.350 -2.171 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.091 -5.633 -2.165 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.927 -5.405 -0.838 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.848 -4.365 -2.280 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.373 -6.689 -4.299 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.081 -5.491 -4.553 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.690 -7.226 -4.515 1.00 0.00 H new ATOM 846 N PRO A 59 2.690 -7.066 -0.470 1.00 0.00 N ATOM 847 CA PRO A 59 3.509 -8.115 0.113 1.00 0.00 C ATOM 848 C PRO A 59 3.940 -7.748 1.535 1.00 0.00 C ATOM 849 O PRO A 59 4.077 -8.621 2.390 1.00 0.00 O ATOM 850 CB PRO A 59 4.682 -8.274 -0.841 1.00 0.00 C ATOM 851 CG PRO A 59 4.721 -7.000 -1.669 1.00 0.00 C ATOM 852 CD PRO A 59 3.405 -6.268 -1.462 1.00 0.00 C ATOM 0 HA PRO A 59 2.971 -9.057 0.223 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.614 -8.413 -0.294 1.00 0.00 H new ATOM 0 HB3 PRO A 59 4.552 -9.150 -1.477 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.559 -6.373 -1.364 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.865 -7.235 -2.724 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.569 -5.250 -1.108 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.842 -6.195 -2.392 1.00 0.00 H new ATOM 860 N ILE A 60 4.142 -6.455 1.742 1.00 0.00 N ATOM 861 CA ILE A 60 4.555 -5.962 3.045 1.00 0.00 C ATOM 862 C ILE A 60 3.458 -6.259 4.069 1.00 0.00 C ATOM 863 O ILE A 60 3.712 -6.899 5.089 1.00 0.00 O ATOM 864 CB ILE A 60 4.934 -4.482 2.963 1.00 0.00 C ATOM 865 CG1 ILE A 60 6.343 -4.308 2.391 1.00 0.00 C ATOM 866 CG2 ILE A 60 4.780 -3.800 4.323 1.00 0.00 C ATOM 867 CD1 ILE A 60 6.628 -2.839 2.074 1.00 0.00 C ATOM 0 H ILE A 60 4.027 -5.734 1.030 1.00 0.00 H new ATOM 0 HA ILE A 60 5.454 -6.480 3.380 1.00 0.00 H new ATOM 0 HB ILE A 60 4.244 -3.991 2.277 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.078 -4.679 3.106 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.448 -4.906 1.486 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.056 -2.749 4.236 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.744 -3.877 4.654 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.430 -4.287 5.050 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.635 -2.743 1.669 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.906 -2.478 1.341 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.546 -2.247 2.986 1.00 0.00 H new ATOM 879 N ILE A 61 2.261 -5.780 3.763 1.00 0.00 N ATOM 880 CA ILE A 61 1.124 -5.987 4.644 1.00 0.00 C ATOM 881 C ILE A 61 0.862 -7.487 4.788 1.00 0.00 C ATOM 882 O ILE A 61 0.595 -7.971 5.887 1.00 0.00 O ATOM 883 CB ILE A 61 -0.088 -5.196 4.148 1.00 0.00 C ATOM 884 CG1 ILE A 61 0.263 -3.721 3.949 1.00 0.00 C ATOM 885 CG2 ILE A 61 -1.283 -5.380 5.086 1.00 0.00 C ATOM 886 CD1 ILE A 61 -0.647 -3.076 2.902 1.00 0.00 C ATOM 0 H ILE A 61 2.054 -5.249 2.917 1.00 0.00 H new ATOM 0 HA ILE A 61 1.340 -5.604 5.641 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.379 -5.591 3.174 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.167 -3.190 4.896 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.303 -3.630 3.637 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.131 -4.808 4.711 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.550 -6.436 5.133 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.020 -5.028 6.084 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.375 -2.027 2.780 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.530 -3.594 1.950 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.685 -3.147 3.229 1.00 0.00 H new ATOM 898 N GLY A 62 0.949 -8.182 3.663 1.00 0.00 N ATOM 899 CA GLY A 62 0.725 -9.618 3.651 1.00 0.00 C ATOM 900 C GLY A 62 1.692 -10.332 4.597 1.00 0.00 C ATOM 901 O GLY A 62 1.336 -11.335 5.213 1.00 0.00 O ATOM 0 H GLY A 62 1.172 -7.777 2.753 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.302 -9.832 3.946 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.852 -10.001 2.638 1.00 0.00 H new ATOM 905 N VAL A 63 2.896 -9.786 4.683 1.00 0.00 N ATOM 906 CA VAL A 63 3.917 -10.359 5.544 1.00 0.00 C ATOM 907 C VAL A 63 3.489 -10.209 7.005 1.00 0.00 C ATOM 908 O VAL A 63 3.718 -11.104 7.817 1.00 0.00 O ATOM 909 CB VAL A 63 5.273 -9.713 5.249 1.00 0.00 C ATOM 910 CG1 VAL A 63 6.281 -10.024 6.357 1.00 0.00 C ATOM 911 CG2 VAL A 63 5.804 -10.153 3.884 1.00 0.00 C ATOM 0 H VAL A 63 3.187 -8.953 4.171 1.00 0.00 H new ATOM 0 HA VAL A 63 4.029 -11.425 5.346 1.00 0.00 H new ATOM 0 HB VAL A 63 5.131 -8.633 5.220 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.236 -9.553 6.123 1.00 0.00 H new ATOM 0 HG12 VAL A 63 5.909 -9.638 7.306 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.417 -11.103 6.433 1.00 0.00 H new ATOM 0 HG21 VAL A 63 6.768 -9.680 3.699 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.923 -11.236 3.872 1.00 0.00 H new ATOM 0 HG23 VAL A 63 5.099 -9.857 3.107 1.00 0.00 H new ATOM 921 N VAL A 64 2.875 -9.071 7.295 1.00 0.00 N ATOM 922 CA VAL A 64 2.413 -8.793 8.644 1.00 0.00 C ATOM 923 C VAL A 64 1.391 -9.854 9.057 1.00 0.00 C ATOM 924 O VAL A 64 1.534 -10.484 10.104 1.00 0.00 O ATOM 925 CB VAL A 64 1.861 -7.368 8.725 1.00 0.00 C ATOM 926 CG1 VAL A 64 0.834 -7.241 9.852 1.00 0.00 C ATOM 927 CG2 VAL A 64 2.992 -6.351 8.896 1.00 0.00 C ATOM 0 H VAL A 64 2.687 -8.331 6.619 1.00 0.00 H new ATOM 0 HA VAL A 64 3.242 -8.847 9.350 1.00 0.00 H new ATOM 0 HB VAL A 64 1.354 -7.151 7.785 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.458 -6.219 9.888 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.006 -7.926 9.669 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.305 -7.487 10.803 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.573 -5.346 8.951 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.539 -6.566 9.814 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.671 -6.415 8.045 1.00 0.00 H new ATOM 937 N PHE A 65 0.383 -10.019 8.213 1.00 0.00 N ATOM 938 CA PHE A 65 -0.662 -10.993 8.478 1.00 0.00 C ATOM 939 C PHE A 65 -0.065 -12.360 8.819 1.00 0.00 C ATOM 940 O PHE A 65 -0.554 -13.050 9.712 1.00 0.00 O ATOM 941 CB PHE A 65 -1.491 -11.118 7.198 1.00 0.00 C ATOM 942 CG PHE A 65 -1.844 -12.559 6.823 1.00 0.00 C ATOM 943 CD1 PHE A 65 -2.774 -13.241 7.544 1.00 0.00 C ATOM 944 CD2 PHE A 65 -1.227 -13.157 5.769 1.00 0.00 C ATOM 945 CE1 PHE A 65 -3.101 -14.578 7.196 1.00 0.00 C ATOM 946 CE2 PHE A 65 -1.554 -14.494 5.421 1.00 0.00 C ATOM 947 CZ PHE A 65 -2.484 -15.177 6.142 1.00 0.00 C ATOM 0 H PHE A 65 0.268 -9.495 7.346 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.266 -10.669 9.325 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.413 -10.548 7.317 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.940 -10.664 6.375 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.264 -12.766 8.381 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.489 -12.615 5.197 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.840 -15.120 7.768 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.064 -14.969 4.584 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.732 -16.194 5.878 1.00 0.00 H new ATOM 957 N SER A 66 0.985 -12.710 8.091 1.00 0.00 N ATOM 958 CA SER A 66 1.654 -13.982 8.305 1.00 0.00 C ATOM 959 C SER A 66 2.321 -13.996 9.682 1.00 0.00 C ATOM 960 O SER A 66 2.143 -14.939 10.452 1.00 0.00 O ATOM 961 CB SER A 66 2.690 -14.250 7.211 1.00 0.00 C ATOM 962 OG SER A 66 2.166 -14.008 5.909 1.00 0.00 O ATOM 0 H SER A 66 1.389 -12.135 7.352 1.00 0.00 H new ATOM 0 HA SER A 66 0.906 -14.774 8.262 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.562 -13.617 7.374 1.00 0.00 H new ATOM 0 HB3 SER A 66 3.030 -15.283 7.279 1.00 0.00 H new ATOM 0 HG SER A 66 2.048 -13.044 5.778 1.00 0.00 H new ATOM 968 N PHE A 67 3.075 -12.941 9.951 1.00 0.00 N ATOM 969 CA PHE A 67 3.769 -12.820 11.222 1.00 0.00 C ATOM 970 C PHE A 67 2.801 -12.997 12.394 1.00 0.00 C ATOM 971 O PHE A 67 3.155 -13.588 13.412 1.00 0.00 O ATOM 972 CB PHE A 67 4.364 -11.412 11.275 1.00 0.00 C ATOM 973 CG PHE A 67 5.891 -11.378 11.191 1.00 0.00 C ATOM 974 CD1 PHE A 67 6.521 -11.842 10.078 1.00 0.00 C ATOM 975 CD2 PHE A 67 6.619 -10.884 12.228 1.00 0.00 C ATOM 976 CE1 PHE A 67 7.938 -11.810 10.000 1.00 0.00 C ATOM 977 CE2 PHE A 67 8.036 -10.853 12.150 1.00 0.00 C ATOM 978 CZ PHE A 67 8.666 -11.317 11.037 1.00 0.00 C ATOM 0 H PHE A 67 3.221 -12.161 9.310 1.00 0.00 H new ATOM 0 HA PHE A 67 4.537 -13.589 11.301 1.00 0.00 H new ATOM 0 HB2 PHE A 67 3.952 -10.824 10.455 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.051 -10.931 12.201 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.943 -12.234 9.254 1.00 0.00 H new ATOM 0 HD2 PHE A 67 6.119 -10.515 13.111 1.00 0.00 H new ATOM 0 HE1 PHE A 67 8.438 -12.178 9.116 1.00 0.00 H new ATOM 0 HE2 PHE A 67 8.614 -10.461 12.974 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.744 -11.294 10.977 1.00 0.00 H new ATOM 988 N ILE A 68 1.598 -12.473 12.210 1.00 0.00 N ATOM 989 CA ILE A 68 0.576 -12.565 13.239 1.00 0.00 C ATOM 990 C ILE A 68 0.325 -14.037 13.572 1.00 0.00 C ATOM 991 O ILE A 68 0.440 -14.445 14.727 1.00 0.00 O ATOM 992 CB ILE A 68 -0.683 -11.807 12.814 1.00 0.00 C ATOM 993 CG1 ILE A 68 -0.638 -10.356 13.297 1.00 0.00 C ATOM 994 CG2 ILE A 68 -1.945 -12.531 13.289 1.00 0.00 C ATOM 995 CD1 ILE A 68 0.675 -9.683 12.891 1.00 0.00 C ATOM 0 H ILE A 68 1.308 -11.983 11.364 1.00 0.00 H new ATOM 0 HA ILE A 68 0.915 -12.083 14.156 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.717 -11.783 11.725 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.479 -9.803 12.878 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.746 -10.326 14.381 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.826 -11.972 12.974 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.976 -13.531 12.856 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.933 -12.607 14.376 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.681 -8.653 13.247 1.00 0.00 H new ATOM 0 HD12 ILE A 68 1.513 -10.224 13.332 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.768 -9.692 11.805 1.00 0.00 H new ATOM 1007 N TYR A 69 -0.014 -14.795 12.539 1.00 0.00 N ATOM 1008 CA TYR A 69 -0.283 -16.213 12.707 1.00 0.00 C ATOM 1009 C TYR A 69 0.829 -16.890 13.512 1.00 0.00 C ATOM 1010 O TYR A 69 0.554 -17.671 14.421 1.00 0.00 O ATOM 1011 CB TYR A 69 -0.310 -16.807 11.297 1.00 0.00 C ATOM 1012 CG TYR A 69 -0.994 -18.173 11.211 1.00 0.00 C ATOM 1013 CD1 TYR A 69 -2.159 -18.407 11.911 1.00 0.00 C ATOM 1014 CD2 TYR A 69 -0.445 -19.171 10.432 1.00 0.00 C ATOM 1015 CE1 TYR A 69 -2.803 -19.692 11.830 1.00 0.00 C ATOM 1016 CE2 TYR A 69 -1.088 -20.457 10.350 1.00 0.00 C ATOM 1017 CZ TYR A 69 -2.235 -20.654 11.053 1.00 0.00 C ATOM 1018 OH TYR A 69 -2.843 -21.868 10.976 1.00 0.00 O ATOM 0 H TYR A 69 -0.108 -14.454 11.583 1.00 0.00 H new ATOM 0 HA TYR A 69 -1.220 -16.365 13.243 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -0.822 -16.113 10.631 1.00 0.00 H new ATOM 0 HB3 TYR A 69 0.713 -16.901 10.934 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -2.589 -17.626 12.520 1.00 0.00 H new ATOM 0 HD2 TYR A 69 0.467 -18.988 9.884 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -3.716 -19.888 12.373 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -0.669 -21.247 9.744 1.00 0.00 H new ATOM 0 HH TYR A 69 -2.327 -22.455 10.385 1.00 0.00 H new ATOM 1028 N LEU A 70 2.061 -16.566 13.147 1.00 0.00 N ATOM 1029 CA LEU A 70 3.215 -17.133 13.824 1.00 0.00 C ATOM 1030 C LEU A 70 3.117 -16.839 15.322 1.00 0.00 C ATOM 1031 O LEU A 70 3.751 -17.513 16.133 1.00 0.00 O ATOM 1032 CB LEU A 70 4.511 -16.634 13.182 1.00 0.00 C ATOM 1033 CG LEU A 70 5.649 -17.652 13.090 1.00 0.00 C ATOM 1034 CD1 LEU A 70 5.704 -18.289 11.700 1.00 0.00 C ATOM 1035 CD2 LEU A 70 6.985 -17.018 13.483 1.00 0.00 C ATOM 0 H LEU A 70 2.285 -15.918 12.392 1.00 0.00 H new ATOM 0 HA LEU A 70 3.228 -18.217 13.712 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.283 -16.282 12.176 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.865 -15.773 13.748 1.00 0.00 H new ATOM 0 HG LEU A 70 5.450 -18.452 13.803 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.522 -19.009 11.662 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.762 -18.799 11.496 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.867 -17.514 10.951 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.777 -17.763 13.409 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.205 -16.187 12.813 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.926 -16.651 14.508 1.00 0.00 H new ATOM 1047 N GLY A 71 2.318 -15.833 15.645 1.00 0.00 N ATOM 1048 CA GLY A 71 2.130 -15.442 17.031 1.00 0.00 C ATOM 1049 C GLY A 71 2.711 -14.051 17.293 1.00 0.00 C ATOM 1050 O GLY A 71 3.021 -13.708 18.433 1.00 0.00 O ATOM 0 H GLY A 71 1.793 -15.277 14.970 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.067 -15.447 17.273 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.610 -16.169 17.686 1.00 0.00 H new ATOM 1054 N ARG A 72 2.843 -13.288 16.218 1.00 0.00 N ATOM 1055 CA ARG A 72 3.381 -11.942 16.316 1.00 0.00 C ATOM 1056 C ARG A 72 2.320 -10.915 15.919 1.00 0.00 C ATOM 1057 O ARG A 72 1.412 -10.623 16.695 1.00 0.00 O ATOM 1058 CB ARG A 72 4.608 -11.772 15.417 1.00 0.00 C ATOM 1059 CG ARG A 72 5.881 -11.614 16.250 1.00 0.00 C ATOM 1060 CD ARG A 72 6.939 -12.638 15.834 1.00 0.00 C ATOM 1061 NE ARG A 72 7.664 -13.129 17.027 1.00 0.00 N ATOM 1062 CZ ARG A 72 7.132 -13.945 17.947 1.00 0.00 C ATOM 1063 NH1 ARG A 72 5.867 -14.367 17.817 1.00 0.00 N ATOM 1064 NH2 ARG A 72 7.865 -14.340 18.997 1.00 0.00 N ATOM 0 H ARG A 72 2.586 -13.577 15.274 1.00 0.00 H new ATOM 0 HA ARG A 72 3.678 -11.779 17.352 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.704 -12.636 14.760 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.477 -10.899 14.778 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.277 -10.606 16.127 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.646 -11.738 17.307 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.466 -13.473 15.317 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.640 -12.185 15.133 1.00 0.00 H new ATOM 0 HE ARG A 72 8.630 -12.827 17.157 1.00 0.00 H new ATOM 0 HH11 ARG A 72 5.309 -14.067 17.018 1.00 0.00 H new ATOM 0 HH12 ARG A 72 5.462 -14.988 18.517 1.00 0.00 H new ATOM 0 HH21 ARG A 72 8.828 -14.019 19.096 1.00 0.00 H new ATOM 0 HH22 ARG A 72 7.460 -14.961 19.697 1.00 0.00 H new TER 1078 ARG A 72