USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 553 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot -28:sc= -0.606 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.075 X(o=-0.075,f=-0.12) 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 -61:sc= 0.812 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -57:sc= 1.3 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N SER A 2 -5.902 -14.637 22.811 1.00 0.00 N ATOM 19 CA SER A 2 -6.752 -15.788 22.560 1.00 0.00 C ATOM 20 C SER A 2 -6.570 -16.269 21.120 1.00 0.00 C ATOM 21 O SER A 2 -5.723 -15.754 20.392 1.00 0.00 O ATOM 22 CB SER A 2 -8.222 -15.456 22.827 1.00 0.00 C ATOM 23 OG SER A 2 -8.654 -15.929 24.099 1.00 0.00 O ATOM 0 HA SER A 2 -6.458 -16.585 23.242 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.365 -14.377 22.774 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.841 -15.898 22.046 1.00 0.00 H new ATOM 0 HG SER A 2 -9.597 -15.696 24.232 1.00 0.00 H new ATOM 29 N LEU A 3 -7.378 -17.252 20.751 1.00 0.00 N ATOM 30 CA LEU A 3 -7.316 -17.809 19.410 1.00 0.00 C ATOM 31 C LEU A 3 -8.180 -16.964 18.472 1.00 0.00 C ATOM 32 O LEU A 3 -7.849 -16.799 17.298 1.00 0.00 O ATOM 33 CB LEU A 3 -7.696 -19.291 19.428 1.00 0.00 C ATOM 34 CG LEU A 3 -6.612 -20.267 18.964 1.00 0.00 C ATOM 35 CD1 LEU A 3 -5.535 -20.440 20.037 1.00 0.00 C ATOM 36 CD2 LEU A 3 -7.222 -21.605 18.542 1.00 0.00 C ATOM 0 H LEU A 3 -8.079 -17.677 21.357 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.296 -17.770 19.027 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.987 -19.559 20.444 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -8.575 -19.428 18.798 1.00 0.00 H new ATOM 0 HG LEU A 3 -6.126 -19.845 18.085 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -4.777 -21.138 19.682 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.071 -19.476 20.246 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.989 -20.829 20.948 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.430 -22.280 18.217 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -7.751 -22.046 19.387 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.921 -21.444 17.721 1.00 0.00 H new ATOM 48 N GLY A 4 -9.270 -16.451 19.023 1.00 0.00 N ATOM 49 CA GLY A 4 -10.183 -15.627 18.250 1.00 0.00 C ATOM 50 C GLY A 4 -9.518 -14.314 17.833 1.00 0.00 C ATOM 51 O GLY A 4 -9.668 -13.873 16.694 1.00 0.00 O ATOM 0 H GLY A 4 -9.541 -16.590 19.996 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.508 -16.172 17.364 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.075 -15.416 18.839 1.00 0.00 H new ATOM 55 N VAL A 5 -8.797 -13.727 18.776 1.00 0.00 N ATOM 56 CA VAL A 5 -8.108 -12.474 18.521 1.00 0.00 C ATOM 57 C VAL A 5 -7.020 -12.700 17.468 1.00 0.00 C ATOM 58 O VAL A 5 -6.700 -11.796 16.698 1.00 0.00 O ATOM 59 CB VAL A 5 -7.562 -11.900 19.830 1.00 0.00 C ATOM 60 CG1 VAL A 5 -6.375 -12.722 20.337 1.00 0.00 C ATOM 61 CG2 VAL A 5 -7.179 -10.428 19.666 1.00 0.00 C ATOM 0 H VAL A 5 -8.675 -14.096 19.719 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.800 -11.733 18.121 1.00 0.00 H new ATOM 0 HB VAL A 5 -8.354 -11.959 20.577 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -6.006 -12.292 21.268 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.693 -13.750 20.512 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -5.579 -12.710 19.592 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -6.794 -10.045 20.611 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -6.412 -10.335 18.897 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -8.058 -9.854 19.373 1.00 0.00 H new ATOM 71 N LEU A 6 -6.483 -13.911 17.469 1.00 0.00 N ATOM 72 CA LEU A 6 -5.439 -14.267 16.524 1.00 0.00 C ATOM 73 C LEU A 6 -5.983 -14.145 15.099 1.00 0.00 C ATOM 74 O LEU A 6 -5.380 -13.486 14.254 1.00 0.00 O ATOM 75 CB LEU A 6 -4.870 -15.649 16.849 1.00 0.00 C ATOM 76 CG LEU A 6 -3.626 -16.065 16.062 1.00 0.00 C ATOM 77 CD1 LEU A 6 -3.224 -17.504 16.392 1.00 0.00 C ATOM 78 CD2 LEU A 6 -3.832 -15.857 14.561 1.00 0.00 C ATOM 0 H LEU A 6 -6.752 -14.658 18.109 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.600 -13.576 16.605 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.630 -15.680 17.912 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.650 -16.391 16.676 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.799 -15.423 16.365 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.337 -17.774 15.819 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.007 -17.586 17.457 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.041 -18.178 16.135 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.933 -16.160 14.025 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.676 -16.458 14.223 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.034 -14.804 14.364 1.00 0.00 H new ATOM 90 N ALA A 7 -7.118 -14.792 14.877 1.00 0.00 N ATOM 91 CA ALA A 7 -7.751 -14.765 13.569 1.00 0.00 C ATOM 92 C ALA A 7 -8.069 -13.317 13.191 1.00 0.00 C ATOM 93 O ALA A 7 -8.043 -12.959 12.015 1.00 0.00 O ATOM 94 CB ALA A 7 -8.998 -15.651 13.587 1.00 0.00 C ATOM 0 H ALA A 7 -7.615 -15.338 15.581 1.00 0.00 H new ATOM 0 HA ALA A 7 -7.079 -15.164 12.809 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.473 -15.631 12.606 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.714 -16.674 13.832 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -9.697 -15.280 14.336 1.00 0.00 H new ATOM 100 N ALA A 8 -8.362 -12.524 14.211 1.00 0.00 N ATOM 101 CA ALA A 8 -8.686 -11.123 14.001 1.00 0.00 C ATOM 102 C ALA A 8 -7.434 -10.381 13.528 1.00 0.00 C ATOM 103 O ALA A 8 -7.528 -9.424 12.760 1.00 0.00 O ATOM 104 CB ALA A 8 -9.262 -10.533 15.289 1.00 0.00 C ATOM 0 H ALA A 8 -8.382 -12.825 15.185 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.445 -11.016 13.226 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.505 -9.482 15.131 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.165 -11.077 15.566 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.527 -10.619 16.089 1.00 0.00 H new ATOM 110 N ALA A 9 -6.291 -10.850 14.006 1.00 0.00 N ATOM 111 CA ALA A 9 -5.022 -10.242 13.642 1.00 0.00 C ATOM 112 C ALA A 9 -4.705 -10.571 12.182 1.00 0.00 C ATOM 113 O ALA A 9 -4.047 -9.791 11.495 1.00 0.00 O ATOM 114 CB ALA A 9 -3.931 -10.726 14.599 1.00 0.00 C ATOM 0 H ALA A 9 -6.217 -11.644 14.642 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.076 -9.157 13.732 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.979 -10.270 14.326 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.190 -10.443 15.619 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.845 -11.811 14.535 1.00 0.00 H new ATOM 120 N ILE A 10 -5.186 -11.728 11.751 1.00 0.00 N ATOM 121 CA ILE A 10 -4.961 -12.170 10.385 1.00 0.00 C ATOM 122 C ILE A 10 -5.924 -11.435 9.451 1.00 0.00 C ATOM 123 O ILE A 10 -5.507 -10.876 8.438 1.00 0.00 O ATOM 124 CB ILE A 10 -5.058 -13.694 10.292 1.00 0.00 C ATOM 125 CG1 ILE A 10 -3.686 -14.343 10.484 1.00 0.00 C ATOM 126 CG2 ILE A 10 -5.717 -14.123 8.980 1.00 0.00 C ATOM 127 CD1 ILE A 10 -3.716 -15.363 11.624 1.00 0.00 C ATOM 0 H ILE A 10 -5.731 -12.373 12.324 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.950 -11.918 10.065 1.00 0.00 H new ATOM 0 HB ILE A 10 -5.697 -14.046 11.102 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.380 -14.834 9.560 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.943 -13.575 10.698 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.773 -15.211 8.940 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -6.722 -13.705 8.924 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -5.126 -13.759 8.140 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.728 -15.809 11.739 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.999 -14.864 12.551 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.442 -16.143 11.395 1.00 0.00 H new ATOM 139 N ALA A 11 -7.195 -11.458 9.825 1.00 0.00 N ATOM 140 CA ALA A 11 -8.221 -10.801 9.033 1.00 0.00 C ATOM 141 C ALA A 11 -7.885 -9.314 8.905 1.00 0.00 C ATOM 142 O ALA A 11 -8.342 -8.648 7.977 1.00 0.00 O ATOM 143 CB ALA A 11 -9.590 -11.036 9.674 1.00 0.00 C ATOM 0 H ALA A 11 -7.538 -11.922 10.666 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.256 -11.219 8.027 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.359 -10.543 9.080 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.793 -12.106 9.715 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.594 -10.627 10.684 1.00 0.00 H new ATOM 149 N VAL A 12 -7.089 -8.836 9.850 1.00 0.00 N ATOM 150 CA VAL A 12 -6.687 -7.440 9.855 1.00 0.00 C ATOM 151 C VAL A 12 -5.577 -7.230 8.823 1.00 0.00 C ATOM 152 O VAL A 12 -5.587 -6.245 8.087 1.00 0.00 O ATOM 153 CB VAL A 12 -6.278 -7.017 11.268 1.00 0.00 C ATOM 154 CG1 VAL A 12 -5.139 -5.997 11.226 1.00 0.00 C ATOM 155 CG2 VAL A 12 -7.477 -6.470 12.045 1.00 0.00 C ATOM 0 H VAL A 12 -6.711 -9.391 10.618 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.523 -6.801 9.569 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.916 -7.902 11.792 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.867 -5.713 12.243 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.275 -6.437 10.729 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.462 -5.113 10.676 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.159 -6.177 13.046 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.883 -5.603 11.524 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.244 -7.240 12.119 1.00 0.00 H new ATOM 165 N GLY A 13 -4.646 -8.172 8.803 1.00 0.00 N ATOM 166 CA GLY A 13 -3.531 -8.103 7.874 1.00 0.00 C ATOM 167 C GLY A 13 -4.010 -8.267 6.430 1.00 0.00 C ATOM 168 O GLY A 13 -3.460 -7.654 5.517 1.00 0.00 O ATOM 0 H GLY A 13 -4.641 -8.988 9.416 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.019 -7.147 7.985 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.806 -8.882 8.111 1.00 0.00 H new ATOM 172 N LEU A 14 -5.029 -9.099 6.269 1.00 0.00 N ATOM 173 CA LEU A 14 -5.588 -9.351 4.952 1.00 0.00 C ATOM 174 C LEU A 14 -6.389 -8.129 4.500 1.00 0.00 C ATOM 175 O LEU A 14 -6.363 -7.764 3.325 1.00 0.00 O ATOM 176 CB LEU A 14 -6.396 -10.650 4.953 1.00 0.00 C ATOM 177 CG LEU A 14 -7.903 -10.503 4.731 1.00 0.00 C ATOM 178 CD1 LEU A 14 -8.212 -10.171 3.270 1.00 0.00 C ATOM 179 CD2 LEU A 14 -8.651 -11.750 5.206 1.00 0.00 C ATOM 0 H LEU A 14 -5.482 -9.607 7.029 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.792 -9.498 4.222 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.997 -11.304 4.177 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.237 -11.153 5.907 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.257 -9.666 5.333 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -9.290 -10.072 3.139 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -7.726 -9.234 2.999 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.841 -10.971 2.629 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.720 -11.620 5.037 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -8.299 -12.619 4.650 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.468 -11.901 6.270 1.00 0.00 H new ATOM 191 N GLY A 15 -7.084 -7.529 5.456 1.00 0.00 N ATOM 192 CA GLY A 15 -7.891 -6.356 5.171 1.00 0.00 C ATOM 193 C GLY A 15 -7.009 -5.142 4.873 1.00 0.00 C ATOM 194 O GLY A 15 -7.242 -4.424 3.902 1.00 0.00 O ATOM 0 H GLY A 15 -7.104 -7.834 6.429 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.541 -6.556 4.319 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.538 -6.140 6.021 1.00 0.00 H new ATOM 198 N ALA A 16 -6.013 -4.950 5.726 1.00 0.00 N ATOM 199 CA ALA A 16 -5.094 -3.836 5.566 1.00 0.00 C ATOM 200 C ALA A 16 -4.249 -4.054 4.310 1.00 0.00 C ATOM 201 O ALA A 16 -3.649 -3.115 3.790 1.00 0.00 O ATOM 202 CB ALA A 16 -4.240 -3.694 6.827 1.00 0.00 C ATOM 0 H ALA A 16 -5.823 -5.548 6.530 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.641 -2.902 5.436 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.550 -2.858 6.707 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.886 -3.511 7.685 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.674 -4.611 6.988 1.00 0.00 H new ATOM 208 N LEU A 17 -4.228 -5.300 3.858 1.00 0.00 N ATOM 209 CA LEU A 17 -3.466 -5.653 2.673 1.00 0.00 C ATOM 210 C LEU A 17 -4.138 -5.046 1.440 1.00 0.00 C ATOM 211 O LEU A 17 -3.523 -4.269 0.712 1.00 0.00 O ATOM 212 CB LEU A 17 -3.279 -7.169 2.588 1.00 0.00 C ATOM 213 CG LEU A 17 -2.866 -7.719 1.221 1.00 0.00 C ATOM 214 CD1 LEU A 17 -1.580 -8.542 1.327 1.00 0.00 C ATOM 215 CD2 LEU A 17 -4.005 -8.516 0.583 1.00 0.00 C ATOM 0 H LEU A 17 -4.727 -6.077 4.292 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.461 -5.234 2.727 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.526 -7.464 3.319 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.213 -7.647 2.883 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.656 -6.876 0.563 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.308 -8.921 0.342 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.776 -7.913 1.708 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.739 -9.379 2.007 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.685 -8.895 -0.387 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.271 -9.352 1.230 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.872 -7.869 0.451 1.00 0.00 H new ATOM 227 N GLY A 18 -5.393 -5.425 1.243 1.00 0.00 N ATOM 228 CA GLY A 18 -6.155 -4.928 0.110 1.00 0.00 C ATOM 229 C GLY A 18 -6.571 -3.471 0.326 1.00 0.00 C ATOM 230 O GLY A 18 -6.823 -2.745 -0.634 1.00 0.00 O ATOM 0 H GLY A 18 -5.900 -6.070 1.849 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.558 -5.009 -0.798 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.041 -5.545 -0.036 1.00 0.00 H new ATOM 234 N ALA A 19 -6.629 -3.087 1.593 1.00 0.00 N ATOM 235 CA ALA A 19 -7.010 -1.730 1.947 1.00 0.00 C ATOM 236 C ALA A 19 -5.840 -0.786 1.662 1.00 0.00 C ATOM 237 O ALA A 19 -6.016 0.252 1.026 1.00 0.00 O ATOM 238 CB ALA A 19 -7.450 -1.689 3.412 1.00 0.00 C ATOM 0 H ALA A 19 -6.419 -3.692 2.387 1.00 0.00 H new ATOM 0 HA ALA A 19 -7.855 -1.398 1.344 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.736 -0.671 3.678 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.302 -2.354 3.555 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.626 -2.012 4.048 1.00 0.00 H new ATOM 244 N GLY A 20 -4.672 -1.181 2.147 1.00 0.00 N ATOM 245 CA GLY A 20 -3.473 -0.383 1.953 1.00 0.00 C ATOM 246 C GLY A 20 -3.256 -0.071 0.471 1.00 0.00 C ATOM 247 O GLY A 20 -3.135 1.092 0.088 1.00 0.00 O ATOM 0 H GLY A 20 -4.530 -2.043 2.674 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.556 0.547 2.516 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.608 -0.918 2.346 1.00 0.00 H new ATOM 251 N ILE A 21 -3.213 -1.131 -0.324 1.00 0.00 N ATOM 252 CA ILE A 21 -3.013 -0.985 -1.755 1.00 0.00 C ATOM 253 C ILE A 21 -4.015 0.032 -2.305 1.00 0.00 C ATOM 254 O ILE A 21 -3.727 0.728 -3.278 1.00 0.00 O ATOM 255 CB ILE A 21 -3.077 -2.348 -2.447 1.00 0.00 C ATOM 256 CG1 ILE A 21 -2.171 -2.382 -3.679 1.00 0.00 C ATOM 257 CG2 ILE A 21 -4.521 -2.722 -2.787 1.00 0.00 C ATOM 258 CD1 ILE A 21 -0.728 -2.711 -3.289 1.00 0.00 C ATOM 0 H ILE A 21 -3.313 -2.094 -0.003 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.017 -0.595 -1.962 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.703 -3.101 -1.753 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -2.539 -3.126 -4.385 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.204 -1.418 -4.186 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.539 -3.695 -3.278 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.110 -2.767 -1.871 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -4.944 -1.971 -3.454 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.105 -2.729 -4.183 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.355 -1.952 -2.602 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.696 -3.687 -2.804 1.00 0.00 H new ATOM 270 N GLY A 22 -5.170 0.085 -1.660 1.00 0.00 N ATOM 271 CA GLY A 22 -6.216 1.005 -2.072 1.00 0.00 C ATOM 272 C GLY A 22 -5.867 2.443 -1.684 1.00 0.00 C ATOM 273 O GLY A 22 -6.104 3.373 -2.453 1.00 0.00 O ATOM 0 H GLY A 22 -5.405 -0.495 -0.854 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.358 0.940 -3.151 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.160 0.719 -1.609 1.00 0.00 H new ATOM 277 N ASN A 23 -5.308 2.580 -0.490 1.00 0.00 N ATOM 278 CA ASN A 23 -4.923 3.889 0.010 1.00 0.00 C ATOM 279 C ASN A 23 -3.734 4.410 -0.800 1.00 0.00 C ATOM 280 O ASN A 23 -3.555 5.619 -0.939 1.00 0.00 O ATOM 281 CB ASN A 23 -4.499 3.815 1.478 1.00 0.00 C ATOM 282 CG ASN A 23 -4.780 5.136 2.197 1.00 0.00 C ATOM 283 OD1 ASN A 23 -5.875 5.396 2.668 1.00 0.00 O ATOM 284 ND2 ASN A 23 -3.732 5.954 2.255 1.00 0.00 N ATOM 0 H ASN A 23 -5.113 1.806 0.145 1.00 0.00 H new ATOM 0 HA ASN A 23 -5.783 4.552 -0.084 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -5.034 3.006 1.974 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.436 3.581 1.542 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -3.818 6.861 2.714 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -2.843 5.674 1.840 1.00 0.00 H new ATOM 291 N GLY A 24 -2.953 3.472 -1.314 1.00 0.00 N ATOM 292 CA GLY A 24 -1.786 3.822 -2.107 1.00 0.00 C ATOM 293 C GLY A 24 -2.189 4.233 -3.524 1.00 0.00 C ATOM 294 O GLY A 24 -1.512 5.042 -4.156 1.00 0.00 O ATOM 0 H GLY A 24 -3.105 2.470 -1.197 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.247 4.639 -1.627 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.104 2.973 -2.151 1.00 0.00 H new ATOM 298 N LEU A 25 -3.291 3.657 -3.982 1.00 0.00 N ATOM 299 CA LEU A 25 -3.793 3.954 -5.313 1.00 0.00 C ATOM 300 C LEU A 25 -4.459 5.332 -5.307 1.00 0.00 C ATOM 301 O LEU A 25 -4.389 6.063 -6.293 1.00 0.00 O ATOM 302 CB LEU A 25 -4.708 2.831 -5.804 1.00 0.00 C ATOM 303 CG LEU A 25 -4.027 1.494 -6.106 1.00 0.00 C ATOM 304 CD1 LEU A 25 -4.920 0.320 -5.699 1.00 0.00 C ATOM 305 CD2 LEU A 25 -3.607 1.413 -7.575 1.00 0.00 C ATOM 0 H LEU A 25 -3.850 2.986 -3.455 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.972 4.000 -6.028 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.478 2.662 -5.052 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.214 3.171 -6.708 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.118 1.430 -5.507 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.413 -0.618 -5.924 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.126 0.373 -4.630 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.858 0.367 -6.252 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.126 0.453 -7.763 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.487 1.508 -8.211 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.909 2.219 -7.799 1.00 0.00 H new ATOM 317 N ILE A 26 -5.089 5.644 -4.184 1.00 0.00 N ATOM 318 CA ILE A 26 -5.767 6.920 -4.037 1.00 0.00 C ATOM 319 C ILE A 26 -4.733 8.048 -4.065 1.00 0.00 C ATOM 320 O ILE A 26 -4.928 9.056 -4.742 1.00 0.00 O ATOM 321 CB ILE A 26 -6.643 6.920 -2.782 1.00 0.00 C ATOM 322 CG1 ILE A 26 -7.874 6.032 -2.973 1.00 0.00 C ATOM 323 CG2 ILE A 26 -7.022 8.346 -2.378 1.00 0.00 C ATOM 324 CD1 ILE A 26 -8.711 6.504 -4.164 1.00 0.00 C ATOM 0 H ILE A 26 -5.144 5.035 -3.368 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.447 7.089 -4.872 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.064 6.496 -1.961 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -7.561 5.000 -3.130 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.482 6.047 -2.068 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.644 8.318 -1.484 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.118 8.919 -2.173 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.575 8.819 -3.190 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.580 5.856 -4.278 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.042 7.528 -3.993 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -8.108 6.465 -5.071 1.00 0.00 H new ATOM 336 N VAL A 27 -3.657 7.839 -3.321 1.00 0.00 N ATOM 337 CA VAL A 27 -2.592 8.826 -3.252 1.00 0.00 C ATOM 338 C VAL A 27 -1.849 8.862 -4.590 1.00 0.00 C ATOM 339 O VAL A 27 -1.525 9.936 -5.094 1.00 0.00 O ATOM 340 CB VAL A 27 -1.674 8.523 -2.067 1.00 0.00 C ATOM 341 CG1 VAL A 27 -0.939 7.196 -2.267 1.00 0.00 C ATOM 342 CG2 VAL A 27 -0.686 9.667 -1.832 1.00 0.00 C ATOM 0 H VAL A 27 -3.499 7.001 -2.761 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.003 9.821 -3.081 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.296 8.430 -1.177 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.293 7.005 -1.410 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.665 6.389 -2.361 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.334 7.248 -3.172 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.045 9.426 -0.984 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.073 9.807 -2.722 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.235 10.585 -1.622 1.00 0.00 H new ATOM 352 N SER A 28 -1.602 7.676 -5.125 1.00 0.00 N ATOM 353 CA SER A 28 -0.903 7.558 -6.394 1.00 0.00 C ATOM 354 C SER A 28 -1.703 8.252 -7.498 1.00 0.00 C ATOM 355 O SER A 28 -1.129 8.758 -8.461 1.00 0.00 O ATOM 356 CB SER A 28 -0.660 6.092 -6.755 1.00 0.00 C ATOM 357 OG SER A 28 -1.849 5.449 -7.207 1.00 0.00 O ATOM 0 H SER A 28 -1.873 6.788 -4.703 1.00 0.00 H new ATOM 0 HA SER A 28 0.067 8.045 -6.297 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.102 6.032 -7.532 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.271 5.564 -5.884 1.00 0.00 H new ATOM 0 HG SER A 28 -2.629 5.883 -6.803 1.00 0.00 H new ATOM 363 N ARG A 29 -3.016 8.252 -7.322 1.00 0.00 N ATOM 364 CA ARG A 29 -3.901 8.875 -8.291 1.00 0.00 C ATOM 365 C ARG A 29 -3.894 10.395 -8.117 1.00 0.00 C ATOM 366 O ARG A 29 -4.132 11.134 -9.071 1.00 0.00 O ATOM 367 CB ARG A 29 -5.334 8.358 -8.142 1.00 0.00 C ATOM 368 CG ARG A 29 -6.238 8.923 -9.238 1.00 0.00 C ATOM 369 CD ARG A 29 -6.080 8.135 -10.540 1.00 0.00 C ATOM 370 NE ARG A 29 -7.239 7.233 -10.729 1.00 0.00 N ATOM 371 CZ ARG A 29 -7.308 6.288 -11.677 1.00 0.00 C ATOM 372 NH1 ARG A 29 -6.287 6.116 -12.527 1.00 0.00 N ATOM 373 NH2 ARG A 29 -8.399 5.516 -11.774 1.00 0.00 N ATOM 0 H ARG A 29 -3.488 7.830 -6.522 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.536 8.618 -9.285 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.338 7.269 -8.188 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.725 8.637 -7.164 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.277 8.888 -8.911 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.994 9.971 -9.411 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.001 8.821 -11.383 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.158 7.555 -10.514 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.034 7.337 -10.099 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.457 6.704 -12.453 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.340 5.397 -13.248 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.176 5.648 -11.127 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -8.452 4.797 -12.495 1.00 0.00 H new ATOM 387 N THR A 30 -3.620 10.816 -6.891 1.00 0.00 N ATOM 388 CA THR A 30 -3.578 12.235 -6.580 1.00 0.00 C ATOM 389 C THR A 30 -2.297 12.865 -7.128 1.00 0.00 C ATOM 390 O THR A 30 -2.320 13.983 -7.640 1.00 0.00 O ATOM 391 CB THR A 30 -3.732 12.391 -5.066 1.00 0.00 C ATOM 392 OG1 THR A 30 -4.588 13.521 -4.918 1.00 0.00 O ATOM 393 CG2 THR A 30 -2.430 12.818 -4.385 1.00 0.00 C ATOM 0 H THR A 30 -3.425 10.200 -6.102 1.00 0.00 H new ATOM 0 HA THR A 30 -4.396 12.769 -7.062 1.00 0.00 H new ATOM 0 HB THR A 30 -4.073 11.449 -4.638 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.742 13.692 -3.965 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.595 12.914 -3.312 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.661 12.068 -4.568 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.105 13.777 -4.789 1.00 0.00 H new ATOM 401 N ILE A 31 -1.208 12.119 -7.003 1.00 0.00 N ATOM 402 CA ILE A 31 0.081 12.590 -7.480 1.00 0.00 C ATOM 403 C ILE A 31 0.085 12.590 -9.010 1.00 0.00 C ATOM 404 O ILE A 31 0.639 13.494 -9.633 1.00 0.00 O ATOM 405 CB ILE A 31 1.214 11.768 -6.862 1.00 0.00 C ATOM 406 CG1 ILE A 31 2.543 12.521 -6.940 1.00 0.00 C ATOM 407 CG2 ILE A 31 1.301 10.383 -7.507 1.00 0.00 C ATOM 408 CD1 ILE A 31 2.564 13.699 -5.963 1.00 0.00 C ATOM 0 H ILE A 31 -1.193 11.192 -6.578 1.00 0.00 H new ATOM 0 HA ILE A 31 0.253 13.618 -7.160 1.00 0.00 H new ATOM 0 HB ILE A 31 0.991 11.618 -5.806 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.364 11.841 -6.713 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.701 12.883 -7.956 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.114 9.819 -7.050 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.361 9.852 -7.356 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.490 10.490 -8.575 1.00 0.00 H new ATOM 0 HD11 ILE A 31 3.520 14.217 -6.039 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.757 14.389 -6.208 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.430 13.331 -4.946 1.00 0.00 H new ATOM 420 N GLU A 32 -0.541 11.566 -9.572 1.00 0.00 N ATOM 421 CA GLU A 32 -0.616 11.437 -11.017 1.00 0.00 C ATOM 422 C GLU A 32 -1.526 12.520 -11.600 1.00 0.00 C ATOM 423 O GLU A 32 -1.375 12.905 -12.758 1.00 0.00 O ATOM 424 CB GLU A 32 -1.098 10.041 -11.418 1.00 0.00 C ATOM 425 CG GLU A 32 -2.622 10.005 -11.553 1.00 0.00 C ATOM 426 CD GLU A 32 -3.047 10.187 -13.012 1.00 0.00 C ATOM 427 OE1 GLU A 32 -2.812 9.240 -13.794 1.00 0.00 O ATOM 428 OE2 GLU A 32 -3.597 11.268 -13.312 1.00 0.00 O ATOM 0 H GLU A 32 -1.001 10.818 -9.052 1.00 0.00 H new ATOM 0 HA GLU A 32 0.385 11.572 -11.427 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.639 9.751 -12.363 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.778 9.314 -10.672 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.002 9.056 -11.175 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.064 10.791 -10.941 1.00 0.00 H new ATOM 435 N GLY A 33 -2.452 12.980 -10.770 1.00 0.00 N ATOM 436 CA GLY A 33 -3.386 14.011 -11.189 1.00 0.00 C ATOM 437 C GLY A 33 -2.677 15.355 -11.363 1.00 0.00 C ATOM 438 O GLY A 33 -2.879 16.043 -12.363 1.00 0.00 O ATOM 0 H GLY A 33 -2.575 12.657 -9.810 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.857 13.720 -12.128 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.181 14.108 -10.450 1.00 0.00 H new ATOM 442 N ILE A 34 -1.861 15.690 -10.375 1.00 0.00 N ATOM 443 CA ILE A 34 -1.121 16.940 -10.406 1.00 0.00 C ATOM 444 C ILE A 34 0.010 16.833 -11.431 1.00 0.00 C ATOM 445 O ILE A 34 0.352 17.815 -12.089 1.00 0.00 O ATOM 446 CB ILE A 34 -0.645 17.317 -9.002 1.00 0.00 C ATOM 447 CG1 ILE A 34 0.582 16.495 -8.601 1.00 0.00 C ATOM 448 CG2 ILE A 34 -1.780 17.186 -7.985 1.00 0.00 C ATOM 449 CD1 ILE A 34 1.855 17.341 -8.672 1.00 0.00 C ATOM 0 H ILE A 34 -1.696 15.117 -9.547 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.767 17.757 -10.728 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.342 18.364 -9.013 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.452 16.111 -7.589 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.677 15.632 -9.260 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.415 17.460 -6.995 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.599 17.849 -8.266 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.136 16.156 -7.968 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.712 16.733 -8.382 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.995 17.703 -9.690 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.766 18.190 -7.994 1.00 0.00 H new ATOM 461 N ALA A 35 0.559 15.632 -11.535 1.00 0.00 N ATOM 462 CA ALA A 35 1.645 15.383 -12.468 1.00 0.00 C ATOM 463 C ALA A 35 1.174 15.705 -13.888 1.00 0.00 C ATOM 464 O ALA A 35 1.990 15.872 -14.793 1.00 0.00 O ATOM 465 CB ALA A 35 2.120 13.936 -12.326 1.00 0.00 C ATOM 0 H ALA A 35 0.272 14.820 -10.988 1.00 0.00 H new ATOM 0 HA ALA A 35 2.496 16.028 -12.247 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.934 13.750 -13.026 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.471 13.766 -11.308 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.294 13.259 -12.543 1.00 0.00 H new ATOM 471 N ARG A 36 -0.140 15.784 -14.038 1.00 0.00 N ATOM 472 CA ARG A 36 -0.728 16.083 -15.333 1.00 0.00 C ATOM 473 C ARG A 36 -0.165 17.396 -15.881 1.00 0.00 C ATOM 474 O ARG A 36 0.339 17.439 -17.002 1.00 0.00 O ATOM 475 CB ARG A 36 -2.251 16.191 -15.233 1.00 0.00 C ATOM 476 CG ARG A 36 -2.880 14.827 -14.944 1.00 0.00 C ATOM 477 CD ARG A 36 -4.408 14.906 -14.992 1.00 0.00 C ATOM 478 NE ARG A 36 -4.852 15.301 -16.348 1.00 0.00 N ATOM 479 CZ ARG A 36 -4.986 16.571 -16.754 1.00 0.00 C ATOM 480 NH1 ARG A 36 -4.711 17.576 -15.913 1.00 0.00 N ATOM 481 NH2 ARG A 36 -5.395 16.835 -18.003 1.00 0.00 N ATOM 0 H ARG A 36 -0.814 15.646 -13.285 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.476 15.266 -16.009 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.518 16.893 -14.443 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.653 16.591 -16.164 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.527 14.098 -15.673 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.561 14.476 -13.963 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.839 13.941 -14.726 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.766 15.628 -14.258 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.069 14.560 -17.015 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.399 17.375 -14.963 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.813 18.543 -16.223 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.604 16.069 -18.644 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.497 17.801 -18.313 1.00 0.00 H new ATOM 495 N GLN A 37 -0.270 18.434 -15.065 1.00 0.00 N ATOM 496 CA GLN A 37 0.223 19.745 -15.455 1.00 0.00 C ATOM 497 C GLN A 37 1.580 19.617 -16.150 1.00 0.00 C ATOM 498 O GLN A 37 2.282 18.623 -15.970 1.00 0.00 O ATOM 499 CB GLN A 37 0.312 20.678 -14.246 1.00 0.00 C ATOM 500 CG GLN A 37 -1.020 21.392 -14.005 1.00 0.00 C ATOM 501 CD GLN A 37 -0.916 22.879 -14.353 1.00 0.00 C ATOM 502 OE1 GLN A 37 -1.310 23.322 -15.420 1.00 0.00 O ATOM 503 NE2 GLN A 37 -0.365 23.621 -13.397 1.00 0.00 N ATOM 0 H GLN A 37 -0.689 18.395 -14.136 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.484 20.183 -16.160 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.587 20.106 -13.360 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.099 21.414 -14.407 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.800 20.927 -14.608 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.314 21.279 -12.961 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.057 23.186 -12.527 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -0.251 24.625 -13.533 1.00 0.00 H new ATOM 512 N PRO A 38 1.916 20.663 -16.951 1.00 0.00 N ATOM 513 CA PRO A 38 3.176 20.677 -17.674 1.00 0.00 C ATOM 514 C PRO A 38 4.345 20.976 -16.733 1.00 0.00 C ATOM 515 O PRO A 38 5.471 20.546 -16.979 1.00 0.00 O ATOM 516 CB PRO A 38 2.999 21.732 -18.754 1.00 0.00 C ATOM 517 CG PRO A 38 1.827 22.591 -18.308 1.00 0.00 C ATOM 518 CD PRO A 38 1.109 21.856 -17.188 1.00 0.00 C ATOM 0 HA PRO A 38 3.417 19.710 -18.116 1.00 0.00 H new ATOM 0 HB2 PRO A 38 3.902 22.331 -18.866 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.800 21.271 -19.722 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.177 23.564 -17.963 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.148 22.773 -19.141 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.039 22.472 -16.291 1.00 0.00 H new ATOM 0 HD3 PRO A 38 0.090 21.595 -17.475 1.00 0.00 H new ATOM 526 N GLU A 39 4.038 21.711 -15.674 1.00 0.00 N ATOM 527 CA GLU A 39 5.049 22.073 -14.695 1.00 0.00 C ATOM 528 C GLU A 39 5.399 20.866 -13.823 1.00 0.00 C ATOM 529 O GLU A 39 6.544 20.712 -13.401 1.00 0.00 O ATOM 530 CB GLU A 39 4.584 23.252 -13.838 1.00 0.00 C ATOM 531 CG GLU A 39 5.654 24.345 -13.784 1.00 0.00 C ATOM 532 CD GLU A 39 5.202 25.511 -12.901 1.00 0.00 C ATOM 533 OE1 GLU A 39 4.347 26.287 -13.380 1.00 0.00 O ATOM 534 OE2 GLU A 39 5.723 25.600 -11.768 1.00 0.00 O ATOM 0 H GLU A 39 3.103 22.066 -15.473 1.00 0.00 H new ATOM 0 HA GLU A 39 5.948 22.385 -15.227 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.660 23.662 -14.247 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.360 22.907 -12.829 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.584 23.930 -13.396 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.862 24.706 -14.791 1.00 0.00 H new ATOM 541 N LEU A 40 4.392 20.040 -13.579 1.00 0.00 N ATOM 542 CA LEU A 40 4.579 18.851 -12.765 1.00 0.00 C ATOM 543 C LEU A 40 4.910 17.664 -13.672 1.00 0.00 C ATOM 544 O LEU A 40 4.519 16.533 -13.387 1.00 0.00 O ATOM 545 CB LEU A 40 3.362 18.619 -11.868 1.00 0.00 C ATOM 546 CG LEU A 40 3.186 19.603 -10.709 1.00 0.00 C ATOM 547 CD1 LEU A 40 4.358 20.584 -10.640 1.00 0.00 C ATOM 548 CD2 LEU A 40 1.839 20.323 -10.801 1.00 0.00 C ATOM 0 H LEU A 40 3.444 20.171 -13.931 1.00 0.00 H new ATOM 0 HA LEU A 40 5.424 18.981 -12.089 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.466 18.655 -12.488 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.425 17.611 -11.457 1.00 0.00 H new ATOM 0 HG LEU A 40 3.185 19.037 -9.777 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.208 21.272 -9.808 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.286 20.032 -10.492 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.416 21.148 -11.571 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.739 21.016 -9.966 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.785 20.875 -11.739 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.032 19.591 -10.764 1.00 0.00 H new ATOM 560 N ARG A 41 5.626 17.962 -14.746 1.00 0.00 N ATOM 561 CA ARG A 41 6.014 16.934 -15.697 1.00 0.00 C ATOM 562 C ARG A 41 6.933 15.911 -15.026 1.00 0.00 C ATOM 563 O ARG A 41 6.813 14.711 -15.268 1.00 0.00 O ATOM 564 CB ARG A 41 6.732 17.541 -16.903 1.00 0.00 C ATOM 565 CG ARG A 41 6.781 16.551 -18.068 1.00 0.00 C ATOM 566 CD ARG A 41 8.132 15.835 -18.124 1.00 0.00 C ATOM 567 NE ARG A 41 8.784 16.085 -19.429 1.00 0.00 N ATOM 568 CZ ARG A 41 8.298 15.665 -20.604 1.00 0.00 C ATOM 569 NH1 ARG A 41 7.152 14.971 -20.646 1.00 0.00 N ATOM 570 NH2 ARG A 41 8.957 15.938 -21.739 1.00 0.00 N ATOM 0 H ARG A 41 5.948 18.901 -14.979 1.00 0.00 H new ATOM 0 HA ARG A 41 5.105 16.441 -16.041 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.219 18.451 -17.216 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.745 17.827 -16.621 1.00 0.00 H new ATOM 0 HG2 ARG A 41 5.981 15.818 -17.961 1.00 0.00 H new ATOM 0 HG3 ARG A 41 6.606 17.079 -19.006 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.773 16.186 -17.315 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.992 14.764 -17.978 1.00 0.00 H new ATOM 0 HE ARG A 41 9.658 16.610 -19.434 1.00 0.00 H new ATOM 0 HH11 ARG A 41 6.650 14.763 -19.783 1.00 0.00 H new ATOM 0 HH12 ARG A 41 6.782 14.651 -21.541 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.829 16.466 -21.708 1.00 0.00 H new ATOM 0 HH22 ARG A 41 8.586 15.618 -22.634 1.00 0.00 H new ATOM 584 N PRO A 42 7.854 16.436 -14.175 1.00 0.00 N ATOM 585 CA PRO A 42 8.793 15.582 -13.468 1.00 0.00 C ATOM 586 C PRO A 42 8.104 14.842 -12.320 1.00 0.00 C ATOM 587 O PRO A 42 8.617 13.838 -11.827 1.00 0.00 O ATOM 588 CB PRO A 42 9.895 16.516 -12.996 1.00 0.00 C ATOM 589 CG PRO A 42 9.307 17.916 -13.049 1.00 0.00 C ATOM 590 CD PRO A 42 8.025 17.853 -13.864 1.00 0.00 C ATOM 0 HA PRO A 42 9.201 14.793 -14.099 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.213 16.264 -11.984 1.00 0.00 H new ATOM 0 HB3 PRO A 42 10.774 16.437 -13.636 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.102 18.282 -12.043 1.00 0.00 H new ATOM 0 HG3 PRO A 42 10.014 18.610 -13.503 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.177 18.240 -13.299 1.00 0.00 H new ATOM 0 HD3 PRO A 42 8.103 18.451 -14.772 1.00 0.00 H new ATOM 598 N VAL A 43 6.951 15.365 -11.928 1.00 0.00 N ATOM 599 CA VAL A 43 6.187 14.766 -10.848 1.00 0.00 C ATOM 600 C VAL A 43 5.734 13.366 -11.264 1.00 0.00 C ATOM 601 O VAL A 43 5.536 12.496 -10.417 1.00 0.00 O ATOM 602 CB VAL A 43 5.022 15.681 -10.461 1.00 0.00 C ATOM 603 CG1 VAL A 43 4.073 14.978 -9.488 1.00 0.00 C ATOM 604 CG2 VAL A 43 5.532 16.999 -9.875 1.00 0.00 C ATOM 0 H VAL A 43 6.528 16.197 -12.339 1.00 0.00 H new ATOM 0 HA VAL A 43 6.806 14.656 -9.958 1.00 0.00 H new ATOM 0 HB VAL A 43 4.461 15.912 -11.367 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.254 15.650 -9.229 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.671 14.080 -9.957 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.617 14.703 -8.584 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.685 17.631 -9.608 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.127 16.795 -8.985 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.148 17.511 -10.614 1.00 0.00 H new ATOM 614 N LEU A 44 5.583 13.191 -12.569 1.00 0.00 N ATOM 615 CA LEU A 44 5.157 11.911 -13.108 1.00 0.00 C ATOM 616 C LEU A 44 6.073 10.808 -12.576 1.00 0.00 C ATOM 617 O LEU A 44 5.605 9.734 -12.199 1.00 0.00 O ATOM 618 CB LEU A 44 5.088 11.969 -14.636 1.00 0.00 C ATOM 619 CG LEU A 44 4.015 11.098 -15.292 1.00 0.00 C ATOM 620 CD1 LEU A 44 4.175 9.632 -14.885 1.00 0.00 C ATOM 621 CD2 LEU A 44 2.613 11.629 -14.985 1.00 0.00 C ATOM 0 H LEU A 44 5.748 13.915 -13.269 1.00 0.00 H new ATOM 0 HA LEU A 44 4.146 11.675 -12.775 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.920 13.004 -14.933 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.059 11.677 -15.035 1.00 0.00 H new ATOM 0 HG LEU A 44 4.148 11.149 -16.373 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.400 9.034 -15.365 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.156 9.273 -15.197 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.084 9.543 -13.803 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.870 10.991 -15.463 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.452 11.629 -13.907 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.518 12.646 -15.366 1.00 0.00 H new ATOM 633 N GLN A 45 7.363 11.110 -12.561 1.00 0.00 N ATOM 634 CA GLN A 45 8.350 10.157 -12.081 1.00 0.00 C ATOM 635 C GLN A 45 8.092 9.821 -10.611 1.00 0.00 C ATOM 636 O GLN A 45 8.292 8.685 -10.186 1.00 0.00 O ATOM 637 CB GLN A 45 9.770 10.691 -12.281 1.00 0.00 C ATOM 638 CG GLN A 45 10.808 9.700 -11.750 1.00 0.00 C ATOM 639 CD GLN A 45 12.221 10.275 -11.859 1.00 0.00 C ATOM 640 OE1 GLN A 45 12.671 11.048 -11.029 1.00 0.00 O ATOM 641 NE2 GLN A 45 12.895 9.857 -12.927 1.00 0.00 N ATOM 0 H GLN A 45 7.748 12.001 -12.874 1.00 0.00 H new ATOM 0 HA GLN A 45 8.256 9.241 -12.664 1.00 0.00 H new ATOM 0 HB2 GLN A 45 9.947 10.876 -13.341 1.00 0.00 H new ATOM 0 HB3 GLN A 45 9.879 11.647 -11.768 1.00 0.00 H new ATOM 0 HG2 GLN A 45 10.588 9.460 -10.710 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.747 8.768 -12.312 1.00 0.00 H new ATOM 0 HE21 GLN A 45 12.460 9.209 -13.583 1.00 0.00 H new ATOM 0 HE22 GLN A 45 13.847 10.184 -13.089 1.00 0.00 H new ATOM 650 N THR A 46 7.651 10.831 -9.875 1.00 0.00 N ATOM 651 CA THR A 46 7.364 10.657 -8.461 1.00 0.00 C ATOM 652 C THR A 46 6.192 9.693 -8.270 1.00 0.00 C ATOM 653 O THR A 46 6.164 8.928 -7.307 1.00 0.00 O ATOM 654 CB THR A 46 7.118 12.040 -7.855 1.00 0.00 C ATOM 655 OG1 THR A 46 7.836 12.013 -6.625 1.00 0.00 O ATOM 656 CG2 THR A 46 5.662 12.243 -7.432 1.00 0.00 C ATOM 0 H THR A 46 7.485 11.772 -10.231 1.00 0.00 H new ATOM 0 HA THR A 46 8.206 10.203 -7.939 1.00 0.00 H new ATOM 0 HB THR A 46 7.397 12.807 -8.577 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.732 12.873 -6.167 1.00 0.00 H new ATOM 0 HG21 THR A 46 5.542 13.240 -7.008 1.00 0.00 H new ATOM 0 HG22 THR A 46 5.013 12.137 -8.301 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.393 11.497 -6.685 1.00 0.00 H new ATOM 664 N THR A 47 5.253 9.760 -9.203 1.00 0.00 N ATOM 665 CA THR A 47 4.082 8.902 -9.149 1.00 0.00 C ATOM 666 C THR A 47 4.456 7.465 -9.516 1.00 0.00 C ATOM 667 O THR A 47 3.857 6.516 -9.013 1.00 0.00 O ATOM 668 CB THR A 47 3.013 9.504 -10.063 1.00 0.00 C ATOM 669 OG1 THR A 47 3.446 9.160 -11.377 1.00 0.00 O ATOM 670 CG2 THR A 47 3.029 11.034 -10.055 1.00 0.00 C ATOM 0 H THR A 47 5.280 10.395 -10.000 1.00 0.00 H new ATOM 0 HA THR A 47 3.676 8.850 -8.139 1.00 0.00 H new ATOM 0 HB THR A 47 2.030 9.150 -9.753 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.327 9.555 -11.545 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.251 11.409 -10.720 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.846 11.394 -9.043 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.001 11.389 -10.397 1.00 0.00 H new ATOM 678 N MET A 48 5.445 7.349 -10.390 1.00 0.00 N ATOM 679 CA MET A 48 5.907 6.044 -10.830 1.00 0.00 C ATOM 680 C MET A 48 6.483 5.243 -9.660 1.00 0.00 C ATOM 681 O MET A 48 6.213 4.051 -9.527 1.00 0.00 O ATOM 682 CB MET A 48 6.979 6.218 -11.907 1.00 0.00 C ATOM 683 CG MET A 48 6.843 5.149 -12.994 1.00 0.00 C ATOM 684 SD MET A 48 8.267 4.073 -12.973 1.00 0.00 S ATOM 685 CE MET A 48 8.396 3.695 -14.713 1.00 0.00 C ATOM 0 H MET A 48 5.940 8.138 -10.806 1.00 0.00 H new ATOM 0 HA MET A 48 5.057 5.497 -11.237 1.00 0.00 H new ATOM 0 HB2 MET A 48 6.894 7.209 -12.353 1.00 0.00 H new ATOM 0 HB3 MET A 48 7.968 6.157 -11.454 1.00 0.00 H new ATOM 0 HG2 MET A 48 5.935 4.568 -12.832 1.00 0.00 H new ATOM 0 HG3 MET A 48 6.749 5.622 -13.971 1.00 0.00 H new ATOM 0 HE1 MET A 48 9.242 3.027 -14.879 1.00 0.00 H new ATOM 0 HE2 MET A 48 7.479 3.210 -15.049 1.00 0.00 H new ATOM 0 HE3 MET A 48 8.546 4.617 -15.275 1.00 0.00 H new ATOM 695 N PHE A 49 7.267 5.931 -8.843 1.00 0.00 N ATOM 696 CA PHE A 49 7.884 5.299 -7.689 1.00 0.00 C ATOM 697 C PHE A 49 6.860 5.077 -6.574 1.00 0.00 C ATOM 698 O PHE A 49 6.951 4.102 -5.829 1.00 0.00 O ATOM 699 CB PHE A 49 8.971 6.251 -7.186 1.00 0.00 C ATOM 700 CG PHE A 49 10.196 5.543 -6.602 1.00 0.00 C ATOM 701 CD1 PHE A 49 11.158 5.056 -7.430 1.00 0.00 C ATOM 702 CD2 PHE A 49 10.322 5.402 -5.256 1.00 0.00 C ATOM 703 CE1 PHE A 49 12.295 4.399 -6.889 1.00 0.00 C ATOM 704 CE2 PHE A 49 11.458 4.745 -4.714 1.00 0.00 C ATOM 705 CZ PHE A 49 12.421 4.258 -5.542 1.00 0.00 C ATOM 0 H PHE A 49 7.489 6.920 -8.957 1.00 0.00 H new ATOM 0 HA PHE A 49 8.292 4.328 -7.969 1.00 0.00 H new ATOM 0 HB2 PHE A 49 9.291 6.889 -8.010 1.00 0.00 H new ATOM 0 HB3 PHE A 49 8.544 6.904 -6.425 1.00 0.00 H new ATOM 0 HD1 PHE A 49 11.058 5.169 -8.499 1.00 0.00 H new ATOM 0 HD2 PHE A 49 9.558 5.790 -4.599 1.00 0.00 H new ATOM 0 HE1 PHE A 49 13.059 4.012 -7.547 1.00 0.00 H new ATOM 0 HE2 PHE A 49 11.557 4.632 -3.645 1.00 0.00 H new ATOM 0 HZ PHE A 49 13.286 3.759 -5.130 1.00 0.00 H new ATOM 715 N ILE A 50 5.911 5.997 -6.494 1.00 0.00 N ATOM 716 CA ILE A 50 4.871 5.914 -5.482 1.00 0.00 C ATOM 717 C ILE A 50 3.964 4.720 -5.786 1.00 0.00 C ATOM 718 O ILE A 50 3.522 4.023 -4.873 1.00 0.00 O ATOM 719 CB ILE A 50 4.122 7.243 -5.373 1.00 0.00 C ATOM 720 CG1 ILE A 50 4.086 7.735 -3.924 1.00 0.00 C ATOM 721 CG2 ILE A 50 2.721 7.134 -5.976 1.00 0.00 C ATOM 722 CD1 ILE A 50 5.423 8.361 -3.524 1.00 0.00 C ATOM 0 H ILE A 50 5.840 6.804 -7.113 1.00 0.00 H new ATOM 0 HA ILE A 50 5.309 5.740 -4.499 1.00 0.00 H new ATOM 0 HB ILE A 50 4.665 7.989 -5.953 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.287 8.467 -3.805 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.857 6.902 -3.259 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.210 8.093 -5.885 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.798 6.862 -7.029 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.155 6.369 -5.444 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.370 8.702 -2.490 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.216 7.619 -3.621 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.637 9.208 -4.175 1.00 0.00 H new ATOM 734 N GLY A 51 3.712 4.521 -7.071 1.00 0.00 N ATOM 735 CA GLY A 51 2.866 3.423 -7.507 1.00 0.00 C ATOM 736 C GLY A 51 3.470 2.074 -7.111 1.00 0.00 C ATOM 737 O GLY A 51 2.800 1.247 -6.494 1.00 0.00 O ATOM 0 H GLY A 51 4.079 5.102 -7.825 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.875 3.525 -7.065 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.739 3.465 -8.589 1.00 0.00 H new ATOM 741 N VAL A 52 4.729 1.894 -7.483 1.00 0.00 N ATOM 742 CA VAL A 52 5.430 0.659 -7.175 1.00 0.00 C ATOM 743 C VAL A 52 5.543 0.507 -5.657 1.00 0.00 C ATOM 744 O VAL A 52 5.246 -0.555 -5.112 1.00 0.00 O ATOM 745 CB VAL A 52 6.788 0.639 -7.880 1.00 0.00 C ATOM 746 CG1 VAL A 52 7.471 -0.720 -7.716 1.00 0.00 C ATOM 747 CG2 VAL A 52 6.643 1.004 -9.359 1.00 0.00 C ATOM 0 H VAL A 52 5.281 2.582 -7.994 1.00 0.00 H new ATOM 0 HA VAL A 52 4.872 -0.200 -7.547 1.00 0.00 H new ATOM 0 HB VAL A 52 7.421 1.391 -7.409 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.434 -0.707 -8.226 1.00 0.00 H new ATOM 0 HG12 VAL A 52 7.625 -0.925 -6.656 1.00 0.00 H new ATOM 0 HG13 VAL A 52 6.842 -1.498 -8.148 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.622 0.982 -9.837 1.00 0.00 H new ATOM 0 HG22 VAL A 52 5.985 0.286 -9.848 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.218 2.004 -9.447 1.00 0.00 H new ATOM 757 N ALA A 53 5.974 1.585 -5.016 1.00 0.00 N ATOM 758 CA ALA A 53 6.130 1.585 -3.572 1.00 0.00 C ATOM 759 C ALA A 53 4.826 1.115 -2.923 1.00 0.00 C ATOM 760 O ALA A 53 4.849 0.395 -1.926 1.00 0.00 O ATOM 761 CB ALA A 53 6.545 2.980 -3.103 1.00 0.00 C ATOM 0 H ALA A 53 6.220 2.464 -5.471 1.00 0.00 H new ATOM 0 HA ALA A 53 6.917 0.893 -3.271 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.662 2.980 -2.019 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.491 3.254 -3.570 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.778 3.702 -3.385 1.00 0.00 H new ATOM 767 N LEU A 54 3.720 1.543 -3.514 1.00 0.00 N ATOM 768 CA LEU A 54 2.410 1.175 -3.006 1.00 0.00 C ATOM 769 C LEU A 54 2.186 -0.323 -3.219 1.00 0.00 C ATOM 770 O LEU A 54 1.509 -0.973 -2.424 1.00 0.00 O ATOM 771 CB LEU A 54 1.326 2.055 -3.633 1.00 0.00 C ATOM 772 CG LEU A 54 0.436 1.379 -4.678 1.00 0.00 C ATOM 773 CD1 LEU A 54 -0.836 0.821 -4.037 1.00 0.00 C ATOM 774 CD2 LEU A 54 0.125 2.334 -5.833 1.00 0.00 C ATOM 0 H LEU A 54 3.705 2.141 -4.340 1.00 0.00 H new ATOM 0 HA LEU A 54 2.354 1.355 -1.933 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.690 2.437 -2.835 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.808 2.916 -4.097 1.00 0.00 H new ATOM 0 HG LEU A 54 0.982 0.534 -5.097 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.451 0.346 -4.802 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.569 0.086 -3.278 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.396 1.633 -3.574 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.509 1.829 -6.562 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.393 3.213 -5.449 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.055 2.641 -6.312 1.00 0.00 H new ATOM 786 N VAL A 55 2.768 -0.828 -4.297 1.00 0.00 N ATOM 787 CA VAL A 55 2.641 -2.237 -4.626 1.00 0.00 C ATOM 788 C VAL A 55 3.421 -3.067 -3.604 1.00 0.00 C ATOM 789 O VAL A 55 3.093 -4.227 -3.360 1.00 0.00 O ATOM 790 CB VAL A 55 3.095 -2.482 -6.066 1.00 0.00 C ATOM 791 CG1 VAL A 55 3.116 -3.978 -6.388 1.00 0.00 C ATOM 792 CG2 VAL A 55 2.212 -1.720 -7.056 1.00 0.00 C ATOM 0 H VAL A 55 3.329 -0.286 -4.954 1.00 0.00 H new ATOM 0 HA VAL A 55 1.598 -2.549 -4.571 1.00 0.00 H new ATOM 0 HB VAL A 55 4.113 -2.104 -6.165 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.442 -4.124 -7.418 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.805 -4.486 -5.713 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.115 -4.391 -6.262 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.556 -1.911 -8.072 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.179 -2.053 -6.954 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.271 -0.652 -6.848 1.00 0.00 H new ATOM 802 N GLU A 56 4.439 -2.440 -3.033 1.00 0.00 N ATOM 803 CA GLU A 56 5.269 -3.106 -2.043 1.00 0.00 C ATOM 804 C GLU A 56 4.524 -3.211 -0.711 1.00 0.00 C ATOM 805 O GLU A 56 5.044 -3.772 0.252 1.00 0.00 O ATOM 806 CB GLU A 56 6.604 -2.380 -1.869 1.00 0.00 C ATOM 807 CG GLU A 56 7.635 -2.878 -2.884 1.00 0.00 C ATOM 808 CD GLU A 56 8.914 -2.040 -2.822 1.00 0.00 C ATOM 809 OE1 GLU A 56 9.483 -1.954 -1.713 1.00 0.00 O ATOM 810 OE2 GLU A 56 9.293 -1.504 -3.886 1.00 0.00 O ATOM 0 H GLU A 56 4.708 -1.478 -3.237 1.00 0.00 H new ATOM 0 HA GLU A 56 5.485 -4.114 -2.397 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.457 -1.307 -1.991 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.979 -2.537 -0.858 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.871 -3.923 -2.685 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.214 -2.832 -3.888 1.00 0.00 H new ATOM 817 N ALA A 57 3.318 -2.662 -0.699 1.00 0.00 N ATOM 818 CA ALA A 57 2.496 -2.687 0.499 1.00 0.00 C ATOM 819 C ALA A 57 1.650 -3.961 0.505 1.00 0.00 C ATOM 820 O ALA A 57 1.191 -4.401 1.559 1.00 0.00 O ATOM 821 CB ALA A 57 1.642 -1.419 0.560 1.00 0.00 C ATOM 0 H ALA A 57 2.890 -2.197 -1.500 1.00 0.00 H new ATOM 0 HA ALA A 57 3.120 -2.702 1.392 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.026 -1.438 1.459 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.291 -0.544 0.584 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.000 -1.370 -0.319 1.00 0.00 H new ATOM 827 N LEU A 58 1.467 -4.518 -0.683 1.00 0.00 N ATOM 828 CA LEU A 58 0.684 -5.733 -0.828 1.00 0.00 C ATOM 829 C LEU A 58 1.405 -6.886 -0.127 1.00 0.00 C ATOM 830 O LEU A 58 0.813 -7.584 0.696 1.00 0.00 O ATOM 831 CB LEU A 58 0.382 -6.003 -2.303 1.00 0.00 C ATOM 832 CG LEU A 58 -1.057 -6.409 -2.630 1.00 0.00 C ATOM 833 CD1 LEU A 58 -2.058 -5.455 -1.974 1.00 0.00 C ATOM 834 CD2 LEU A 58 -1.268 -6.509 -4.142 1.00 0.00 C ATOM 0 H LEU A 58 1.848 -4.150 -1.555 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.286 -5.621 -0.343 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.624 -5.106 -2.873 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.049 -6.791 -2.652 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.236 -7.400 -2.213 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.073 -5.766 -2.222 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.926 -5.477 -0.892 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.889 -4.442 -2.340 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.298 -6.799 -4.347 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.065 -5.542 -4.602 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.591 -7.257 -4.555 1.00 0.00 H new ATOM 846 N PRO A 59 2.705 -7.055 -0.487 1.00 0.00 N ATOM 847 CA PRO A 59 3.513 -8.112 0.099 1.00 0.00 C ATOM 848 C PRO A 59 3.919 -7.761 1.531 1.00 0.00 C ATOM 849 O PRO A 59 4.027 -8.642 2.383 1.00 0.00 O ATOM 850 CB PRO A 59 4.702 -8.262 -0.836 1.00 0.00 C ATOM 851 CG PRO A 59 4.757 -6.979 -1.650 1.00 0.00 C ATOM 852 CD PRO A 59 3.438 -6.248 -1.458 1.00 0.00 C ATOM 0 HA PRO A 59 2.973 -9.054 0.189 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.625 -8.408 -0.274 1.00 0.00 H new ATOM 0 HB3 PRO A 59 4.582 -9.131 -1.484 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.590 -6.356 -1.324 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.920 -7.203 -2.704 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.597 -5.234 -1.091 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.891 -6.165 -2.397 1.00 0.00 H new ATOM 860 N ILE A 60 4.134 -6.472 1.753 1.00 0.00 N ATOM 861 CA ILE A 60 4.526 -5.994 3.068 1.00 0.00 C ATOM 862 C ILE A 60 3.411 -6.298 4.070 1.00 0.00 C ATOM 863 O ILE A 60 3.642 -6.963 5.079 1.00 0.00 O ATOM 864 CB ILE A 60 4.912 -4.515 3.007 1.00 0.00 C ATOM 865 CG1 ILE A 60 6.364 -4.345 2.558 1.00 0.00 C ATOM 866 CG2 ILE A 60 4.640 -3.822 4.343 1.00 0.00 C ATOM 867 CD1 ILE A 60 6.769 -2.869 2.556 1.00 0.00 C ATOM 0 H ILE A 60 4.044 -5.744 1.044 1.00 0.00 H new ATOM 0 HA ILE A 60 5.417 -6.518 3.414 1.00 0.00 H new ATOM 0 HB ILE A 60 4.285 -4.029 2.259 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.022 -4.905 3.223 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.490 -4.762 1.559 1.00 0.00 H new ATOM 0 HG21 ILE A 60 4.923 -2.772 4.272 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.579 -3.897 4.582 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.224 -4.303 5.128 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.806 -2.777 2.233 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.125 -2.316 1.872 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.665 -2.462 3.562 1.00 0.00 H new ATOM 879 N ILE A 61 2.225 -5.798 3.757 1.00 0.00 N ATOM 880 CA ILE A 61 1.073 -6.007 4.617 1.00 0.00 C ATOM 881 C ILE A 61 0.782 -7.506 4.716 1.00 0.00 C ATOM 882 O ILE A 61 0.451 -8.009 5.789 1.00 0.00 O ATOM 883 CB ILE A 61 -0.118 -5.180 4.130 1.00 0.00 C ATOM 884 CG1 ILE A 61 0.266 -3.708 3.969 1.00 0.00 C ATOM 885 CG2 ILE A 61 -1.325 -5.360 5.052 1.00 0.00 C ATOM 886 CD1 ILE A 61 -0.568 -3.040 2.874 1.00 0.00 C ATOM 0 H ILE A 61 2.037 -5.248 2.919 1.00 0.00 H new ATOM 0 HA ILE A 61 1.283 -5.655 5.627 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.408 -5.547 3.145 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.118 -3.185 4.914 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.325 -3.630 3.723 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.157 -4.761 4.683 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.614 -6.411 5.072 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.064 -5.037 6.060 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.275 -1.994 2.780 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.399 -3.551 1.926 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.625 -3.099 3.135 1.00 0.00 H new ATOM 898 N GLY A 62 0.915 -8.178 3.582 1.00 0.00 N ATOM 899 CA GLY A 62 0.670 -9.609 3.527 1.00 0.00 C ATOM 900 C GLY A 62 1.630 -10.366 4.448 1.00 0.00 C ATOM 901 O GLY A 62 1.273 -11.402 5.007 1.00 0.00 O ATOM 0 H GLY A 62 1.189 -7.758 2.694 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.359 -9.817 3.819 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.788 -9.963 2.503 1.00 0.00 H new ATOM 905 N VAL A 63 2.830 -9.818 4.577 1.00 0.00 N ATOM 906 CA VAL A 63 3.844 -10.428 5.420 1.00 0.00 C ATOM 907 C VAL A 63 3.443 -10.271 6.888 1.00 0.00 C ATOM 908 O VAL A 63 3.727 -11.141 7.709 1.00 0.00 O ATOM 909 CB VAL A 63 5.216 -9.827 5.107 1.00 0.00 C ATOM 910 CG1 VAL A 63 6.129 -9.877 6.334 1.00 0.00 C ATOM 911 CG2 VAL A 63 5.863 -10.529 3.912 1.00 0.00 C ATOM 0 H VAL A 63 3.122 -8.959 4.112 1.00 0.00 H new ATOM 0 HA VAL A 63 3.918 -11.496 5.216 1.00 0.00 H new ATOM 0 HB VAL A 63 5.070 -8.780 4.841 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.098 -9.444 6.085 1.00 0.00 H new ATOM 0 HG12 VAL A 63 5.677 -9.310 7.148 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.264 -10.913 6.645 1.00 0.00 H new ATOM 0 HG21 VAL A 63 6.837 -10.082 3.711 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.989 -11.588 4.137 1.00 0.00 H new ATOM 0 HG23 VAL A 63 5.225 -10.417 3.035 1.00 0.00 H new ATOM 921 N VAL A 64 2.788 -9.155 7.173 1.00 0.00 N ATOM 922 CA VAL A 64 2.344 -8.873 8.527 1.00 0.00 C ATOM 923 C VAL A 64 1.339 -9.940 8.963 1.00 0.00 C ATOM 924 O VAL A 64 1.503 -10.561 10.012 1.00 0.00 O ATOM 925 CB VAL A 64 1.781 -7.452 8.608 1.00 0.00 C ATOM 926 CG1 VAL A 64 0.931 -7.271 9.867 1.00 0.00 C ATOM 927 CG2 VAL A 64 2.903 -6.414 8.550 1.00 0.00 C ATOM 0 H VAL A 64 2.554 -8.435 6.489 1.00 0.00 H new ATOM 0 HA VAL A 64 3.184 -8.916 9.221 1.00 0.00 H new ATOM 0 HB VAL A 64 1.136 -7.297 7.743 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.543 -6.253 9.901 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.100 -7.976 9.849 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.544 -7.455 10.749 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.476 -5.413 8.609 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.585 -6.568 9.387 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.449 -6.520 7.613 1.00 0.00 H new ATOM 937 N PHE A 65 0.320 -10.121 8.136 1.00 0.00 N ATOM 938 CA PHE A 65 -0.712 -11.102 8.423 1.00 0.00 C ATOM 939 C PHE A 65 -0.100 -12.477 8.700 1.00 0.00 C ATOM 940 O PHE A 65 -0.530 -13.179 9.614 1.00 0.00 O ATOM 941 CB PHE A 65 -1.600 -11.194 7.180 1.00 0.00 C ATOM 942 CG PHE A 65 -1.846 -12.624 6.696 1.00 0.00 C ATOM 943 CD1 PHE A 65 -2.416 -13.536 7.529 1.00 0.00 C ATOM 944 CD2 PHE A 65 -1.496 -12.984 5.432 1.00 0.00 C ATOM 945 CE1 PHE A 65 -2.644 -14.864 7.079 1.00 0.00 C ATOM 946 CE2 PHE A 65 -1.724 -14.311 4.982 1.00 0.00 C ATOM 947 CZ PHE A 65 -2.293 -15.223 5.815 1.00 0.00 C ATOM 0 H PHE A 65 0.187 -9.604 7.267 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.276 -10.800 9.305 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.560 -10.724 7.396 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.140 -10.623 6.374 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -2.695 -13.250 8.532 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -1.044 -12.260 4.770 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.096 -15.588 7.740 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.446 -14.596 3.978 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.466 -16.233 5.473 1.00 0.00 H new ATOM 957 N SER A 66 0.895 -12.819 7.895 1.00 0.00 N ATOM 958 CA SER A 66 1.571 -14.097 8.042 1.00 0.00 C ATOM 959 C SER A 66 2.342 -14.132 9.363 1.00 0.00 C ATOM 960 O SER A 66 2.480 -15.189 9.977 1.00 0.00 O ATOM 961 CB SER A 66 2.516 -14.358 6.868 1.00 0.00 C ATOM 962 OG SER A 66 3.802 -13.781 7.079 1.00 0.00 O ATOM 0 H SER A 66 1.249 -12.233 7.139 1.00 0.00 H new ATOM 0 HA SER A 66 0.817 -14.884 8.048 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.621 -15.433 6.719 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.081 -13.951 5.955 1.00 0.00 H new ATOM 0 HG SER A 66 3.707 -12.819 7.237 1.00 0.00 H new ATOM 968 N PHE A 67 2.825 -12.964 9.760 1.00 0.00 N ATOM 969 CA PHE A 67 3.580 -12.848 10.996 1.00 0.00 C ATOM 970 C PHE A 67 2.665 -13.006 12.213 1.00 0.00 C ATOM 971 O PHE A 67 3.074 -13.558 13.233 1.00 0.00 O ATOM 972 CB PHE A 67 4.196 -11.448 11.015 1.00 0.00 C ATOM 973 CG PHE A 67 5.713 -11.438 11.214 1.00 0.00 C ATOM 974 CD1 PHE A 67 6.263 -12.079 12.280 1.00 0.00 C ATOM 975 CD2 PHE A 67 6.511 -10.788 10.325 1.00 0.00 C ATOM 976 CE1 PHE A 67 7.671 -12.069 12.464 1.00 0.00 C ATOM 977 CE2 PHE A 67 7.919 -10.779 10.509 1.00 0.00 C ATOM 978 CZ PHE A 67 8.469 -11.420 11.575 1.00 0.00 C ATOM 0 H PHE A 67 2.708 -12.090 9.248 1.00 0.00 H new ATOM 0 HA PHE A 67 4.341 -13.627 11.042 1.00 0.00 H new ATOM 0 HB2 PHE A 67 3.960 -10.946 10.077 1.00 0.00 H new ATOM 0 HB3 PHE A 67 3.731 -10.869 11.813 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.629 -12.595 12.986 1.00 0.00 H new ATOM 0 HD2 PHE A 67 6.074 -10.279 9.479 1.00 0.00 H new ATOM 0 HE1 PHE A 67 8.108 -12.577 13.311 1.00 0.00 H new ATOM 0 HE2 PHE A 67 8.553 -10.263 9.803 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.540 -11.413 11.715 1.00 0.00 H new ATOM 988 N ILE A 68 1.445 -12.511 12.065 1.00 0.00 N ATOM 989 CA ILE A 68 0.470 -12.590 13.139 1.00 0.00 C ATOM 990 C ILE A 68 0.227 -14.058 13.494 1.00 0.00 C ATOM 991 O ILE A 68 0.348 -14.448 14.654 1.00 0.00 O ATOM 992 CB ILE A 68 -0.803 -11.829 12.763 1.00 0.00 C ATOM 993 CG1 ILE A 68 -0.758 -10.392 13.286 1.00 0.00 C ATOM 994 CG2 ILE A 68 -2.050 -12.575 13.245 1.00 0.00 C ATOM 995 CD1 ILE A 68 0.561 -9.713 12.909 1.00 0.00 C ATOM 0 H ILE A 68 1.110 -12.054 11.217 1.00 0.00 H new ATOM 0 HA ILE A 68 0.851 -12.104 14.037 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.859 -11.774 11.676 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.594 -9.825 12.875 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.875 -10.392 14.370 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.941 -12.013 12.965 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -2.084 -13.562 12.784 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -2.014 -12.682 14.329 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.568 -8.693 13.292 1.00 0.00 H new ATOM 0 HD12 ILE A 68 1.393 -10.269 13.342 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.663 -9.693 11.824 1.00 0.00 H new ATOM 1007 N TYR A 69 -0.112 -14.833 12.473 1.00 0.00 N ATOM 1008 CA TYR A 69 -0.373 -16.249 12.663 1.00 0.00 C ATOM 1009 C TYR A 69 0.726 -16.901 13.505 1.00 0.00 C ATOM 1010 O TYR A 69 0.437 -17.629 14.453 1.00 0.00 O ATOM 1011 CB TYR A 69 -0.365 -16.871 11.265 1.00 0.00 C ATOM 1012 CG TYR A 69 -1.251 -18.110 11.130 1.00 0.00 C ATOM 1013 CD1 TYR A 69 -1.091 -19.172 11.998 1.00 0.00 C ATOM 1014 CD2 TYR A 69 -2.212 -18.167 10.141 1.00 0.00 C ATOM 1015 CE1 TYR A 69 -1.925 -20.338 11.870 1.00 0.00 C ATOM 1016 CE2 TYR A 69 -3.046 -19.334 10.013 1.00 0.00 C ATOM 1017 CZ TYR A 69 -2.862 -20.362 10.884 1.00 0.00 C ATOM 1018 OH TYR A 69 -3.650 -21.464 10.764 1.00 0.00 O ATOM 0 H TYR A 69 -0.212 -14.506 11.512 1.00 0.00 H new ATOM 0 HA TYR A 69 -1.320 -16.398 13.181 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -0.693 -16.122 10.544 1.00 0.00 H new ATOM 0 HB3 TYR A 69 0.659 -17.139 11.004 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -0.340 -19.128 12.773 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -2.339 -17.336 9.463 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -1.809 -21.176 12.542 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -3.801 -19.391 9.243 1.00 0.00 H new ATOM 0 HH TYR A 69 -4.274 -21.341 10.018 1.00 0.00 H new ATOM 1028 N LEU A 70 1.964 -16.617 13.127 1.00 0.00 N ATOM 1029 CA LEU A 70 3.107 -17.167 13.835 1.00 0.00 C ATOM 1030 C LEU A 70 2.940 -16.919 15.335 1.00 0.00 C ATOM 1031 O LEU A 70 3.523 -17.628 16.154 1.00 0.00 O ATOM 1032 CB LEU A 70 4.411 -16.609 13.261 1.00 0.00 C ATOM 1033 CG LEU A 70 5.522 -17.630 13.005 1.00 0.00 C ATOM 1034 CD1 LEU A 70 5.383 -18.254 11.615 1.00 0.00 C ATOM 1035 CD2 LEU A 70 6.902 -17.004 13.217 1.00 0.00 C ATOM 0 H LEU A 70 2.200 -16.013 12.340 1.00 0.00 H new ATOM 0 HA LEU A 70 3.159 -18.247 13.694 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.185 -16.104 12.322 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.792 -15.851 13.946 1.00 0.00 H new ATOM 0 HG LEU A 70 5.419 -18.436 13.732 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.185 -18.976 11.458 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.420 -18.759 11.537 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.445 -17.473 10.858 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.673 -17.751 13.029 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.031 -16.168 12.530 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.986 -16.647 14.243 1.00 0.00 H new ATOM 1047 N GLY A 71 2.142 -15.909 15.651 1.00 0.00 N ATOM 1048 CA GLY A 71 1.891 -15.559 17.038 1.00 0.00 C ATOM 1049 C GLY A 71 2.407 -14.152 17.350 1.00 0.00 C ATOM 1050 O GLY A 71 2.538 -13.780 18.515 1.00 0.00 O ATOM 0 H GLY A 71 1.661 -15.322 14.969 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.822 -15.612 17.242 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.377 -16.282 17.693 1.00 0.00 H new ATOM 1054 N ARG A 72 2.686 -13.410 16.289 1.00 0.00 N ATOM 1055 CA ARG A 72 3.185 -12.053 16.435 1.00 0.00 C ATOM 1056 C ARG A 72 2.137 -11.048 15.952 1.00 0.00 C ATOM 1057 O ARG A 72 1.355 -10.530 16.748 1.00 0.00 O ATOM 1058 CB ARG A 72 4.478 -11.853 15.642 1.00 0.00 C ATOM 1059 CG ARG A 72 4.887 -10.379 15.624 1.00 0.00 C ATOM 1060 CD ARG A 72 4.534 -9.728 14.285 1.00 0.00 C ATOM 1061 NE ARG A 72 5.180 -8.400 14.182 1.00 0.00 N ATOM 1062 CZ ARG A 72 4.944 -7.525 13.196 1.00 0.00 C ATOM 1063 NH1 ARG A 72 4.076 -7.830 12.222 1.00 0.00 N ATOM 1064 NH2 ARG A 72 5.576 -6.343 13.183 1.00 0.00 N ATOM 0 H ARG A 72 2.576 -13.723 15.324 1.00 0.00 H new ATOM 0 HA ARG A 72 3.392 -11.887 17.492 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.276 -12.450 16.084 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.341 -12.209 14.621 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.385 -9.849 16.434 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.959 -10.293 15.803 1.00 0.00 H new ATOM 0 HD2 ARG A 72 4.861 -10.366 13.464 1.00 0.00 H new ATOM 0 HD3 ARG A 72 3.453 -9.624 14.196 1.00 0.00 H new ATOM 0 HE ARG A 72 5.846 -8.135 14.907 1.00 0.00 H new ATOM 0 HH11 ARG A 72 3.594 -8.729 12.231 1.00 0.00 H new ATOM 0 HH12 ARG A 72 3.897 -7.163 11.471 1.00 0.00 H new ATOM 0 HH21 ARG A 72 6.237 -6.110 13.924 1.00 0.00 H new ATOM 0 HH22 ARG A 72 5.396 -5.677 12.432 1.00 0.00 H new