USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 605 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 Set 1.1: A 10 THR OG1 : rot 180:sc= 0.00581 USER MOD Set 1.2: A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 155:sc= -0.506 (180deg=-1.95!) USER MOD Single : A 1 MET N :NH3+ -157:sc= -0.0723 (180deg=-0.287) USER MOD Single : A 6 THR OG1 : rot -60:sc= -0.3 USER MOD Single : A 9 LYS NZ :NH3+ 167:sc=-0.00326 (180deg=-0.229) USER MOD Single : A 26 SER OG : rot -40:sc= 0.992 USER MOD Single : A 30 GLN :FLIP amide:sc= -0.0167 F(o=-1.3!,f=-0.017) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.0146 K(o=-0.015,f=-1.5!) USER MOD Single : A 39 HIS : no HE2:sc= -0.749 K(o=-0.75,f=-2.6) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.852 K(o=-0.85,f=-1.9!) USER MOD Single : A 49 ASN :FLIP amide:sc= -2.14 F(o=-3!,f=-2.1) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -93:sc= 0.428 USER MOD Single : A 57 LYS NZ :NH3+ 157:sc= -0.104 (180deg=-0.836) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -0.0373 K(o=-0.037,f=-1.8!) USER MOD Single : A 64 SER OG : rot 74:sc= 0.0979 USER MOD Single : A 68 GLN : amide:sc= -0.513 K(o=-0.51,f=-2.5!) USER MOD Single : A 70 THR OG1 : rot 77:sc= 0.221 USER MOD Single : A 73 SER OG : rot -21:sc= 0.255 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.619 3.857 -1.026 1.00 0.00 N ATOM 2 CA MET A 1 -12.862 2.581 -0.869 1.00 0.00 C ATOM 3 C MET A 1 -11.857 2.731 0.265 1.00 0.00 C ATOM 4 O MET A 1 -11.235 3.783 0.410 1.00 0.00 O ATOM 5 CB MET A 1 -12.101 2.282 -2.164 1.00 0.00 C ATOM 6 CG MET A 1 -13.069 1.881 -3.275 1.00 0.00 C ATOM 7 SD MET A 1 -12.258 2.087 -4.884 1.00 0.00 S ATOM 8 CE MET A 1 -10.694 1.262 -4.488 1.00 0.00 C ATOM 0 H1 MET A 1 -14.529 3.666 -1.492 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.791 4.276 -0.090 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.066 4.520 -1.606 1.00 0.00 H new ATOM 0 HA MET A 1 -13.556 1.770 -0.649 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.532 3.160 -2.469 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.382 1.480 -1.993 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.382 0.845 -3.143 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.969 2.495 -3.228 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.240 0.885 -5.404 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.018 1.973 -4.014 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.883 0.431 -3.808 1.00 0.00 H new ATOM 20 N ARG A 2 -11.678 1.665 1.057 1.00 0.00 N ATOM 21 CA ARG A 2 -10.713 1.686 2.163 1.00 0.00 C ATOM 22 C ARG A 2 -9.698 0.566 1.963 1.00 0.00 C ATOM 23 O ARG A 2 -10.063 -0.576 1.683 1.00 0.00 O ATOM 24 CB ARG A 2 -11.429 1.513 3.505 1.00 0.00 C ATOM 25 CG ARG A 2 -12.243 2.771 3.814 1.00 0.00 C ATOM 26 CD ARG A 2 -12.959 2.600 5.153 1.00 0.00 C ATOM 27 NE ARG A 2 -13.766 3.779 5.447 1.00 0.00 N ATOM 28 CZ ARG A 2 -14.525 3.837 6.534 1.00 0.00 C ATOM 29 NH1 ARG A 2 -14.014 4.235 7.667 1.00 0.00 N ATOM 30 NH2 ARG A 2 -15.783 3.494 6.471 1.00 0.00 N ATOM 0 H ARG A 2 -12.184 0.785 0.954 1.00 0.00 H new ATOM 0 HA ARG A 2 -10.200 2.648 2.172 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -12.084 0.642 3.470 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -10.702 1.334 4.297 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -11.588 3.641 3.849 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -12.970 2.950 3.022 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -13.593 1.714 5.124 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -12.229 2.443 5.947 1.00 0.00 H new ATOM 0 HE ARG A 2 -13.747 4.572 4.806 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -13.031 4.502 7.717 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -14.598 4.279 8.502 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -16.183 3.181 5.586 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -16.366 3.539 7.307 1.00 0.00 H new ATOM 44 N ILE A 3 -8.424 0.911 2.078 1.00 0.00 N ATOM 45 CA ILE A 3 -7.341 -0.053 1.877 1.00 0.00 C ATOM 46 C ILE A 3 -6.496 -0.192 3.136 1.00 0.00 C ATOM 47 O ILE A 3 -5.992 0.800 3.660 1.00 0.00 O ATOM 48 CB ILE A 3 -6.462 0.448 0.733 1.00 0.00 C ATOM 49 CG1 ILE A 3 -7.307 0.501 -0.544 1.00 0.00 C ATOM 50 CG2 ILE A 3 -5.280 -0.504 0.537 1.00 0.00 C ATOM 51 CD1 ILE A 3 -6.554 1.259 -1.634 1.00 0.00 C ATOM 0 H ILE A 3 -8.110 1.853 2.310 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.767 -1.029 1.643 1.00 0.00 H new ATOM 0 HB ILE A 3 -6.077 1.441 0.964 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -7.534 -0.510 -0.882 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.259 0.990 -0.340 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.655 -0.144 -0.280 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.691 -0.546 1.453 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.651 -1.501 0.298 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.161 1.293 -2.539 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -6.350 2.275 -1.296 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -5.613 0.751 -1.847 1.00 0.00 H new ATOM 63 N GLU A 4 -6.345 -1.426 3.624 1.00 0.00 N ATOM 64 CA GLU A 4 -5.555 -1.675 4.837 1.00 0.00 C ATOM 65 C GLU A 4 -4.438 -2.686 4.588 1.00 0.00 C ATOM 66 O GLU A 4 -4.663 -3.763 4.035 1.00 0.00 O ATOM 67 CB GLU A 4 -6.476 -2.158 5.959 1.00 0.00 C ATOM 68 CG GLU A 4 -7.506 -1.066 6.255 1.00 0.00 C ATOM 69 CD GLU A 4 -8.446 -1.508 7.370 1.00 0.00 C ATOM 70 OE1 GLU A 4 -8.534 -2.701 7.609 1.00 0.00 O ATOM 71 OE2 GLU A 4 -9.066 -0.645 7.971 1.00 0.00 O ATOM 0 H GLU A 4 -6.754 -2.261 3.205 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.082 -0.739 5.133 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.977 -3.080 5.665 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.895 -2.382 6.854 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.997 -0.146 6.543 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.079 -0.844 5.355 1.00 0.00 H new ATOM 78 N VAL A 5 -3.225 -2.306 4.991 1.00 0.00 N ATOM 79 CA VAL A 5 -2.043 -3.156 4.802 1.00 0.00 C ATOM 80 C VAL A 5 -1.396 -3.505 6.142 1.00 0.00 C ATOM 81 O VAL A 5 -1.159 -2.636 6.976 1.00 0.00 O ATOM 82 CB VAL A 5 -1.028 -2.426 3.917 1.00 0.00 C ATOM 83 CG1 VAL A 5 0.226 -3.289 3.742 1.00 0.00 C ATOM 84 CG2 VAL A 5 -1.649 -2.127 2.540 1.00 0.00 C ATOM 0 H VAL A 5 -3.033 -1.416 5.450 1.00 0.00 H new ATOM 0 HA VAL A 5 -2.358 -4.083 4.323 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.753 -1.486 4.396 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.944 -2.764 3.112 1.00 0.00 H new ATOM 0 HG12 VAL A 5 0.673 -3.483 4.717 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.046 -4.235 3.273 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -0.920 -1.608 1.917 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.936 -3.062 2.060 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.531 -1.499 2.667 1.00 0.00 H new ATOM 94 N THR A 6 -1.109 -4.795 6.333 1.00 0.00 N ATOM 95 CA THR A 6 -0.480 -5.280 7.566 1.00 0.00 C ATOM 96 C THR A 6 0.841 -5.939 7.235 1.00 0.00 C ATOM 97 O THR A 6 0.943 -6.740 6.307 1.00 0.00 O ATOM 98 CB THR A 6 -1.387 -6.293 8.262 1.00 0.00 C ATOM 99 OG1 THR A 6 -1.496 -7.451 7.449 1.00 0.00 O ATOM 100 CG2 THR A 6 -2.773 -5.684 8.478 1.00 0.00 C ATOM 0 H THR A 6 -1.303 -5.525 5.648 1.00 0.00 H new ATOM 0 HA THR A 6 -0.315 -4.433 8.232 1.00 0.00 H new ATOM 0 HB THR A 6 -0.962 -6.561 9.230 1.00 0.00 H new ATOM 0 HG1 THR A 6 -1.886 -7.207 6.583 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.416 -6.410 8.975 1.00 0.00 H new ATOM 0 HG22 THR A 6 -2.686 -4.792 9.099 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.206 -5.415 7.515 1.00 0.00 H new ATOM 108 N ILE A 7 1.851 -5.591 8.014 1.00 0.00 N ATOM 109 CA ILE A 7 3.192 -6.126 7.845 1.00 0.00 C ATOM 110 C ILE A 7 3.596 -6.916 9.090 1.00 0.00 C ATOM 111 O ILE A 7 3.420 -6.449 10.213 1.00 0.00 O ATOM 112 CB ILE A 7 4.141 -4.950 7.626 1.00 0.00 C ATOM 113 CG1 ILE A 7 3.970 -4.423 6.195 1.00 0.00 C ATOM 114 CG2 ILE A 7 5.598 -5.384 7.855 1.00 0.00 C ATOM 115 CD1 ILE A 7 4.692 -3.083 6.047 1.00 0.00 C ATOM 0 H ILE A 7 1.764 -4.928 8.784 1.00 0.00 H new ATOM 0 HA ILE A 7 3.232 -6.801 6.990 1.00 0.00 H new ATOM 0 HB ILE A 7 3.902 -4.161 8.339 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.371 -5.143 5.482 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.911 -4.303 5.966 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.260 -4.533 7.695 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.713 -5.746 8.877 1.00 0.00 H new ATOM 0 HG23 ILE A 7 5.854 -6.180 7.156 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.568 -2.713 5.029 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.271 -2.363 6.749 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.753 -3.216 6.257 1.00 0.00 H new ATOM 127 N ALA A 8 4.134 -8.113 8.888 1.00 0.00 N ATOM 128 CA ALA A 8 4.549 -8.941 10.012 1.00 0.00 C ATOM 129 C ALA A 8 5.694 -8.283 10.762 1.00 0.00 C ATOM 130 O ALA A 8 6.681 -7.828 10.185 1.00 0.00 O ATOM 131 CB ALA A 8 5.002 -10.307 9.506 1.00 0.00 C ATOM 0 H ALA A 8 4.291 -8.527 7.969 1.00 0.00 H new ATOM 0 HA ALA A 8 3.701 -9.059 10.687 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.312 -10.923 10.350 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.178 -10.794 8.985 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.841 -10.182 8.821 1.00 0.00 H new ATOM 137 N LYS A 9 5.507 -8.239 12.072 1.00 0.00 N ATOM 138 CA LYS A 9 6.468 -7.636 12.977 1.00 0.00 C ATOM 139 C LYS A 9 7.824 -8.326 12.870 1.00 0.00 C ATOM 140 O LYS A 9 8.857 -7.723 13.162 1.00 0.00 O ATOM 141 CB LYS A 9 5.948 -7.682 14.419 1.00 0.00 C ATOM 142 CG LYS A 9 6.955 -7.046 15.395 1.00 0.00 C ATOM 143 CD LYS A 9 6.389 -7.119 16.813 1.00 0.00 C ATOM 144 CE LYS A 9 7.472 -6.722 17.818 1.00 0.00 C ATOM 145 NZ LYS A 9 7.861 -5.301 17.591 1.00 0.00 N ATOM 0 H LYS A 9 4.683 -8.621 12.536 1.00 0.00 H new ATOM 0 HA LYS A 9 6.598 -6.592 12.690 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.995 -7.156 14.482 1.00 0.00 H new ATOM 0 HB3 LYS A 9 5.761 -8.716 14.708 1.00 0.00 H new ATOM 0 HG2 LYS A 9 7.910 -7.569 15.344 1.00 0.00 H new ATOM 0 HG3 LYS A 9 7.144 -6.009 15.118 1.00 0.00 H new ATOM 0 HD2 LYS A 9 5.530 -6.455 16.907 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.036 -8.129 17.023 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.104 -6.852 18.836 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.341 -7.371 17.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 8.425 -4.963 18.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.424 -5.230 16.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 7.005 -4.717 17.498 1.00 0.00 H new ATOM 159 N THR A 10 7.824 -9.585 12.428 1.00 0.00 N ATOM 160 CA THR A 10 9.067 -10.329 12.265 1.00 0.00 C ATOM 161 C THR A 10 9.945 -9.642 11.226 1.00 0.00 C ATOM 162 O THR A 10 11.121 -9.978 11.079 1.00 0.00 O ATOM 163 CB THR A 10 8.764 -11.763 11.808 1.00 0.00 C ATOM 164 OG1 THR A 10 7.854 -11.726 10.717 1.00 0.00 O ATOM 165 CG2 THR A 10 8.150 -12.566 12.961 1.00 0.00 C ATOM 0 H THR A 10 6.982 -10.105 12.179 1.00 0.00 H new ATOM 0 HA THR A 10 9.589 -10.359 13.221 1.00 0.00 H new ATOM 0 HB THR A 10 9.692 -12.243 11.498 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.660 -12.640 10.422 1.00 0.00 H new ATOM 0 HG21 THR A 10 7.939 -13.581 12.625 1.00 0.00 H new ATOM 0 HG22 THR A 10 8.850 -12.598 13.796 1.00 0.00 H new ATOM 0 HG23 THR A 10 7.223 -12.090 13.283 1.00 0.00 H new ATOM 173 N SER A 11 9.375 -8.674 10.506 1.00 0.00 N ATOM 174 CA SER A 11 10.119 -7.934 9.478 1.00 0.00 C ATOM 175 C SER A 11 10.089 -6.431 9.775 1.00 0.00 C ATOM 176 O SER A 11 9.297 -5.695 9.186 1.00 0.00 O ATOM 177 CB SER A 11 9.488 -8.186 8.109 1.00 0.00 C ATOM 178 OG SER A 11 9.455 -9.585 7.857 1.00 0.00 O ATOM 0 H SER A 11 8.403 -8.383 10.613 1.00 0.00 H new ATOM 0 HA SER A 11 11.153 -8.278 9.480 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.479 -7.776 8.080 1.00 0.00 H new ATOM 0 HB3 SER A 11 10.061 -7.678 7.333 1.00 0.00 H new ATOM 0 HG SER A 11 9.049 -9.750 6.980 1.00 0.00 H new ATOM 184 N PRO A 12 10.926 -5.963 10.674 1.00 0.00 N ATOM 185 CA PRO A 12 10.987 -4.525 11.052 1.00 0.00 C ATOM 186 C PRO A 12 11.615 -3.624 9.981 1.00 0.00 C ATOM 187 O PRO A 12 12.680 -3.929 9.444 1.00 0.00 O ATOM 188 CB PRO A 12 11.762 -4.488 12.389 1.00 0.00 C ATOM 189 CG PRO A 12 12.103 -5.922 12.717 1.00 0.00 C ATOM 190 CD PRO A 12 11.916 -6.738 11.432 1.00 0.00 C ATOM 0 HA PRO A 12 9.982 -4.115 11.153 1.00 0.00 H new ATOM 0 HB2 PRO A 12 12.665 -3.884 12.299 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.157 -4.041 13.178 1.00 0.00 H new ATOM 0 HG2 PRO A 12 13.129 -6.001 13.077 1.00 0.00 H new ATOM 0 HG3 PRO A 12 11.457 -6.299 13.510 1.00 0.00 H new ATOM 0 HD2 PRO A 12 12.852 -6.841 10.882 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.559 -7.746 11.645 1.00 0.00 H new ATOM 198 N LEU A 13 10.955 -2.497 9.706 1.00 0.00 N ATOM 199 CA LEU A 13 11.449 -1.522 8.733 1.00 0.00 C ATOM 200 C LEU A 13 12.005 -0.314 9.497 1.00 0.00 C ATOM 201 O LEU A 13 11.530 -0.014 10.594 1.00 0.00 O ATOM 202 CB LEU A 13 10.303 -1.098 7.808 1.00 0.00 C ATOM 203 CG LEU A 13 9.554 -2.343 7.300 1.00 0.00 C ATOM 204 CD1 LEU A 13 8.518 -1.935 6.244 1.00 0.00 C ATOM 205 CD2 LEU A 13 10.548 -3.334 6.673 1.00 0.00 C ATOM 0 H LEU A 13 10.073 -2.237 10.146 1.00 0.00 H new ATOM 0 HA LEU A 13 12.239 -1.957 8.121 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.616 -0.442 8.343 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.696 -0.529 6.965 1.00 0.00 H new ATOM 0 HG LEU A 13 9.050 -2.816 8.143 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.992 -2.821 5.889 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.803 -1.241 6.685 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.022 -1.453 5.407 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.010 -4.212 6.316 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.059 -2.857 5.837 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.281 -3.637 7.421 1.00 0.00 H new ATOM 217 N PRO A 14 13.011 0.365 8.989 1.00 0.00 N ATOM 218 CA PRO A 14 13.615 1.518 9.715 1.00 0.00 C ATOM 219 C PRO A 14 12.554 2.496 10.233 1.00 0.00 C ATOM 220 O PRO A 14 11.469 2.628 9.666 1.00 0.00 O ATOM 221 CB PRO A 14 14.581 2.180 8.708 1.00 0.00 C ATOM 222 CG PRO A 14 14.471 1.397 7.418 1.00 0.00 C ATOM 223 CD PRO A 14 13.680 0.109 7.706 1.00 0.00 C ATOM 0 HA PRO A 14 14.143 1.191 10.611 1.00 0.00 H new ATOM 0 HB2 PRO A 14 14.317 3.226 8.549 1.00 0.00 H new ATOM 0 HB3 PRO A 14 15.604 2.163 9.085 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.967 1.990 6.655 1.00 0.00 H new ATOM 0 HG3 PRO A 14 15.462 1.157 7.033 1.00 0.00 H new ATOM 0 HD2 PRO A 14 12.958 -0.098 6.916 1.00 0.00 H new ATOM 0 HD3 PRO A 14 14.340 -0.756 7.769 1.00 0.00 H new ATOM 231 N ALA A 15 12.903 3.143 11.342 1.00 0.00 N ATOM 232 CA ALA A 15 12.038 4.104 12.028 1.00 0.00 C ATOM 233 C ALA A 15 11.587 5.261 11.129 1.00 0.00 C ATOM 234 O ALA A 15 11.687 6.422 11.523 1.00 0.00 O ATOM 235 CB ALA A 15 12.806 4.685 13.214 1.00 0.00 C ATOM 0 H ALA A 15 13.807 3.014 11.797 1.00 0.00 H new ATOM 0 HA ALA A 15 11.142 3.568 12.340 1.00 0.00 H new ATOM 0 HB1 ALA A 15 12.176 5.404 13.738 1.00 0.00 H new ATOM 0 HB2 ALA A 15 13.084 3.882 13.896 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.706 5.184 12.855 1.00 0.00 H new ATOM 241 N GLY A 16 11.095 4.959 9.933 1.00 0.00 N ATOM 242 CA GLY A 16 10.644 6.012 9.025 1.00 0.00 C ATOM 243 C GLY A 16 10.032 5.426 7.761 1.00 0.00 C ATOM 244 O GLY A 16 9.344 6.113 7.006 1.00 0.00 O ATOM 0 H GLY A 16 10.998 4.010 9.572 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.910 6.641 9.529 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.485 6.653 8.761 1.00 0.00 H new ATOM 248 N ALA A 17 10.345 4.162 7.518 1.00 0.00 N ATOM 249 CA ALA A 17 9.891 3.476 6.318 1.00 0.00 C ATOM 250 C ALA A 17 8.384 3.220 6.258 1.00 0.00 C ATOM 251 O ALA A 17 7.783 3.340 5.191 1.00 0.00 O ATOM 252 CB ALA A 17 10.684 2.184 6.116 1.00 0.00 C ATOM 0 H ALA A 17 10.915 3.588 8.140 1.00 0.00 H new ATOM 0 HA ALA A 17 10.086 4.160 5.492 1.00 0.00 H new ATOM 0 HB1 ALA A 17 10.335 1.680 5.215 1.00 0.00 H new ATOM 0 HB2 ALA A 17 11.743 2.420 6.013 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.540 1.530 6.976 1.00 0.00 H new ATOM 258 N ILE A 18 7.767 2.865 7.376 1.00 0.00 N ATOM 259 CA ILE A 18 6.332 2.604 7.365 1.00 0.00 C ATOM 260 C ILE A 18 5.587 3.857 6.917 1.00 0.00 C ATOM 261 O ILE A 18 4.746 3.807 6.020 1.00 0.00 O ATOM 262 CB ILE A 18 5.877 2.198 8.775 1.00 0.00 C ATOM 263 CG1 ILE A 18 6.439 0.799 9.123 1.00 0.00 C ATOM 264 CG2 ILE A 18 4.343 2.196 8.858 1.00 0.00 C ATOM 265 CD1 ILE A 18 5.523 -0.317 8.598 1.00 0.00 C ATOM 0 H ILE A 18 8.222 2.753 8.282 1.00 0.00 H new ATOM 0 HA ILE A 18 6.113 1.794 6.670 1.00 0.00 H new ATOM 0 HB ILE A 18 6.259 2.921 9.495 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.435 0.688 8.693 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.546 0.706 10.204 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.033 1.907 9.862 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.965 3.194 8.635 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.940 1.486 8.135 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.946 -1.287 8.859 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.535 -0.219 9.048 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.437 -0.238 7.514 1.00 0.00 H new ATOM 277 N ASP A 19 5.920 4.983 7.537 1.00 0.00 N ATOM 278 CA ASP A 19 5.289 6.242 7.171 1.00 0.00 C ATOM 279 C ASP A 19 5.579 6.545 5.709 1.00 0.00 C ATOM 280 O ASP A 19 4.709 7.043 4.993 1.00 0.00 O ATOM 281 CB ASP A 19 5.747 7.384 8.079 1.00 0.00 C ATOM 282 CG ASP A 19 5.173 7.193 9.478 1.00 0.00 C ATOM 283 OD1 ASP A 19 4.194 6.476 9.600 1.00 0.00 O ATOM 284 OD2 ASP A 19 5.723 7.762 10.407 1.00 0.00 O ATOM 0 H ASP A 19 6.612 5.049 8.283 1.00 0.00 H new ATOM 0 HA ASP A 19 4.212 6.148 7.306 1.00 0.00 H new ATOM 0 HB2 ASP A 19 6.836 7.411 8.123 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.421 8.340 7.669 1.00 0.00 H new ATOM 289 N ALA A 20 6.797 6.254 5.255 1.00 0.00 N ATOM 290 CA ALA A 20 7.132 6.523 3.867 1.00 0.00 C ATOM 291 C ALA A 20 6.315 5.633 2.924 1.00 0.00 C ATOM 292 O ALA A 20 5.842 6.083 1.881 1.00 0.00 O ATOM 293 CB ALA A 20 8.634 6.341 3.620 1.00 0.00 C ATOM 0 H ALA A 20 7.546 5.844 5.813 1.00 0.00 H new ATOM 0 HA ALA A 20 6.878 7.562 3.657 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.858 6.548 2.574 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.193 7.029 4.254 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.920 5.316 3.856 1.00 0.00 H new ATOM 299 N LEU A 21 6.157 4.369 3.306 1.00 0.00 N ATOM 300 CA LEU A 21 5.405 3.405 2.520 1.00 0.00 C ATOM 301 C LEU A 21 3.949 3.834 2.367 1.00 0.00 C ATOM 302 O LEU A 21 3.403 3.842 1.264 1.00 0.00 O ATOM 303 CB LEU A 21 5.532 2.039 3.222 1.00 0.00 C ATOM 304 CG LEU A 21 4.599 0.996 2.610 1.00 0.00 C ATOM 305 CD1 LEU A 21 4.948 0.762 1.139 1.00 0.00 C ATOM 306 CD2 LEU A 21 4.752 -0.325 3.371 1.00 0.00 C ATOM 0 H LEU A 21 6.547 3.988 4.168 1.00 0.00 H new ATOM 0 HA LEU A 21 5.805 3.339 1.508 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.562 1.690 3.153 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.304 2.153 4.282 1.00 0.00 H new ATOM 0 HG LEU A 21 3.574 1.359 2.680 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.273 0.016 0.719 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.844 1.696 0.587 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.975 0.407 1.061 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.088 -1.073 2.938 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.784 -0.670 3.298 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.493 -0.173 4.419 1.00 0.00 H new ATOM 318 N ALA A 22 3.331 4.197 3.488 1.00 0.00 N ATOM 319 CA ALA A 22 1.941 4.634 3.484 1.00 0.00 C ATOM 320 C ALA A 22 1.775 5.870 2.597 1.00 0.00 C ATOM 321 O ALA A 22 0.794 5.971 1.859 1.00 0.00 O ATOM 322 CB ALA A 22 1.468 4.937 4.907 1.00 0.00 C ATOM 0 H ALA A 22 3.771 4.197 4.408 1.00 0.00 H new ATOM 0 HA ALA A 22 1.328 3.828 3.080 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.428 5.262 4.883 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.554 4.038 5.518 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.085 5.727 5.335 1.00 0.00 H new ATOM 328 N GLY A 23 2.720 6.790 2.642 1.00 0.00 N ATOM 329 CA GLY A 23 2.649 7.989 1.807 1.00 0.00 C ATOM 330 C GLY A 23 2.793 7.649 0.331 1.00 0.00 C ATOM 331 O GLY A 23 2.051 8.179 -0.496 1.00 0.00 O ATOM 0 H GLY A 23 3.544 6.737 3.242 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.698 8.494 1.974 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.435 8.685 2.100 1.00 0.00 H new ATOM 335 N GLU A 24 3.735 6.779 -0.017 1.00 0.00 N ATOM 336 CA GLU A 24 3.907 6.432 -1.422 1.00 0.00 C ATOM 337 C GLU A 24 2.688 5.677 -1.948 1.00 0.00 C ATOM 338 O GLU A 24 2.237 5.923 -3.066 1.00 0.00 O ATOM 339 CB GLU A 24 5.189 5.613 -1.619 1.00 0.00 C ATOM 340 CG GLU A 24 5.463 5.442 -3.116 1.00 0.00 C ATOM 341 CD GLU A 24 5.799 6.791 -3.746 1.00 0.00 C ATOM 342 OE1 GLU A 24 6.166 7.692 -3.009 1.00 0.00 O ATOM 343 OE2 GLU A 24 5.686 6.903 -4.956 1.00 0.00 O ATOM 0 H GLU A 24 4.372 6.315 0.630 1.00 0.00 H new ATOM 0 HA GLU A 24 4.001 7.354 -1.995 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.030 6.114 -1.140 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.086 4.637 -1.144 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.289 4.747 -3.265 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.590 5.010 -3.606 1.00 0.00 H new ATOM 350 N LEU A 25 2.156 4.762 -1.147 1.00 0.00 N ATOM 351 CA LEU A 25 0.992 3.997 -1.578 1.00 0.00 C ATOM 352 C LEU A 25 -0.218 4.891 -1.809 1.00 0.00 C ATOM 353 O LEU A 25 -0.940 4.723 -2.787 1.00 0.00 O ATOM 354 CB LEU A 25 0.628 2.919 -0.546 1.00 0.00 C ATOM 355 CG LEU A 25 1.684 1.802 -0.526 1.00 0.00 C ATOM 356 CD1 LEU A 25 1.396 0.869 0.657 1.00 0.00 C ATOM 357 CD2 LEU A 25 1.643 0.989 -1.839 1.00 0.00 C ATOM 0 H LEU A 25 2.502 4.534 -0.215 1.00 0.00 H new ATOM 0 HA LEU A 25 1.262 3.523 -2.521 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.549 3.369 0.444 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.349 2.498 -0.783 1.00 0.00 H new ATOM 0 HG LEU A 25 2.673 2.250 -0.425 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.139 0.072 0.681 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.441 1.436 1.587 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.402 0.435 0.545 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.398 0.204 -1.804 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.657 0.540 -1.958 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.845 1.649 -2.682 1.00 0.00 H new ATOM 369 N SER A 26 -0.439 5.837 -0.911 1.00 0.00 N ATOM 370 CA SER A 26 -1.581 6.728 -1.048 1.00 0.00 C ATOM 371 C SER A 26 -1.514 7.515 -2.354 1.00 0.00 C ATOM 372 O SER A 26 -2.515 7.629 -3.062 1.00 0.00 O ATOM 373 CB SER A 26 -1.634 7.702 0.130 1.00 0.00 C ATOM 374 OG SER A 26 -0.478 8.528 0.110 1.00 0.00 O ATOM 0 H SER A 26 0.145 6.007 -0.093 1.00 0.00 H new ATOM 0 HA SER A 26 -2.482 6.115 -1.058 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.534 8.315 0.070 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.685 7.152 1.069 1.00 0.00 H new ATOM 0 HG SER A 26 0.304 7.991 -0.137 1.00 0.00 H new ATOM 380 N ARG A 27 -0.346 8.066 -2.676 1.00 0.00 N ATOM 381 CA ARG A 27 -0.214 8.838 -3.906 1.00 0.00 C ATOM 382 C ARG A 27 -0.539 7.955 -5.113 1.00 0.00 C ATOM 383 O ARG A 27 -1.208 8.392 -6.048 1.00 0.00 O ATOM 384 CB ARG A 27 1.204 9.406 -4.037 1.00 0.00 C ATOM 385 CG ARG A 27 1.400 10.501 -2.986 1.00 0.00 C ATOM 386 CD ARG A 27 2.810 11.087 -3.095 1.00 0.00 C ATOM 387 NE ARG A 27 3.818 10.056 -2.882 1.00 0.00 N ATOM 388 CZ ARG A 27 5.096 10.378 -2.708 1.00 0.00 C ATOM 389 NH1 ARG A 27 5.470 10.997 -1.622 1.00 0.00 N ATOM 390 NH2 ARG A 27 5.976 10.082 -3.626 1.00 0.00 N ATOM 0 H ARG A 27 0.504 7.995 -2.116 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.917 9.670 -3.871 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.941 8.615 -3.899 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.356 9.812 -5.037 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.659 11.288 -3.126 1.00 0.00 H new ATOM 0 HG3 ARG A 27 1.244 10.091 -1.988 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.946 11.537 -4.078 1.00 0.00 H new ATOM 0 HD3 ARG A 27 2.936 11.882 -2.360 1.00 0.00 H new ATOM 0 HE ARG A 27 3.539 9.075 -2.866 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.782 11.234 -0.907 1.00 0.00 H new ATOM 0 HH12 ARG A 27 6.450 11.244 -1.488 1.00 0.00 H new ATOM 0 HH21 ARG A 27 5.683 9.603 -4.478 1.00 0.00 H new ATOM 0 HH22 ARG A 27 6.956 10.330 -3.491 1.00 0.00 H new ATOM 404 N ARG A 28 -0.068 6.711 -5.083 1.00 0.00 N ATOM 405 CA ARG A 28 -0.323 5.777 -6.179 1.00 0.00 C ATOM 406 C ARG A 28 -1.819 5.486 -6.316 1.00 0.00 C ATOM 407 O ARG A 28 -2.346 5.384 -7.424 1.00 0.00 O ATOM 408 CB ARG A 28 0.435 4.467 -5.929 1.00 0.00 C ATOM 409 CG ARG A 28 1.955 4.715 -5.935 1.00 0.00 C ATOM 410 CD ARG A 28 2.481 4.810 -7.375 1.00 0.00 C ATOM 411 NE ARG A 28 3.940 4.828 -7.383 1.00 0.00 N ATOM 412 CZ ARG A 28 4.621 4.580 -8.498 1.00 0.00 C ATOM 413 NH1 ARG A 28 4.496 3.425 -9.092 1.00 0.00 N ATOM 414 NH2 ARG A 28 5.409 5.490 -9.001 1.00 0.00 N ATOM 0 H ARG A 28 0.488 6.327 -4.319 1.00 0.00 H new ATOM 0 HA ARG A 28 0.025 6.234 -7.106 1.00 0.00 H new ATOM 0 HB2 ARG A 28 0.133 4.042 -4.971 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.176 3.738 -6.697 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.181 5.636 -5.398 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.463 3.907 -5.409 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.118 3.964 -7.958 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.097 5.713 -7.850 1.00 0.00 H new ATOM 0 HE ARG A 28 4.445 5.034 -6.521 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.877 2.715 -8.701 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.017 3.232 -9.947 1.00 0.00 H new ATOM 0 HH21 ARG A 28 5.504 6.394 -8.539 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.930 5.297 -9.856 1.00 0.00 H new ATOM 428 N ILE A 29 -2.488 5.345 -5.175 1.00 0.00 N ATOM 429 CA ILE A 29 -3.923 5.055 -5.165 1.00 0.00 C ATOM 430 C ILE A 29 -4.740 6.208 -5.737 1.00 0.00 C ATOM 431 O ILE A 29 -5.636 6.000 -6.556 1.00 0.00 O ATOM 432 CB ILE A 29 -4.390 4.739 -3.730 1.00 0.00 C ATOM 433 CG1 ILE A 29 -3.826 3.377 -3.260 1.00 0.00 C ATOM 434 CG2 ILE A 29 -5.923 4.705 -3.664 1.00 0.00 C ATOM 435 CD1 ILE A 29 -4.243 2.229 -4.197 1.00 0.00 C ATOM 0 H ILE A 29 -2.065 5.426 -4.250 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.087 4.186 -5.802 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.017 5.524 -3.073 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.738 3.431 -3.214 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.178 3.167 -2.250 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.238 4.481 -2.645 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.322 5.675 -3.962 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.299 3.935 -4.338 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.826 1.291 -3.831 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.330 2.157 -4.223 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.868 2.425 -5.202 1.00 0.00 H new ATOM 447 N GLN A 30 -4.425 7.416 -5.311 1.00 0.00 N ATOM 448 CA GLN A 30 -5.140 8.583 -5.800 1.00 0.00 C ATOM 449 C GLN A 30 -4.979 8.718 -7.305 1.00 0.00 C ATOM 450 O GLN A 30 -5.942 9.053 -7.994 1.00 0.00 O ATOM 451 CB GLN A 30 -4.640 9.853 -5.100 1.00 0.00 C ATOM 452 CG GLN A 30 -5.294 11.091 -5.730 1.00 0.00 C ATOM 453 CD GLN A 30 -4.990 12.329 -4.896 1.00 0.00 C ATOM 454 OE1 GLN A 30 -4.313 12.209 -3.787 1.00 0.00 O flip ATOM 455 NE2 GLN A 30 -5.370 13.438 -5.270 1.00 0.00 N flip ATOM 0 H GLN A 30 -3.688 7.616 -4.635 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.198 8.453 -5.574 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.875 9.809 -4.037 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -3.555 9.922 -5.184 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.925 11.229 -6.746 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -6.372 10.946 -5.799 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -5.899 13.530 -6.137 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.156 14.265 -4.713 1.00 0.00 H new ATOM 464 N TYR A 31 -3.784 8.464 -7.838 1.00 0.00 N ATOM 465 CA TYR A 31 -3.587 8.583 -9.271 1.00 0.00 C ATOM 466 C TYR A 31 -4.404 7.520 -10.011 1.00 0.00 C ATOM 467 O TYR A 31 -4.980 7.795 -11.063 1.00 0.00 O ATOM 468 CB TYR A 31 -2.105 8.455 -9.623 1.00 0.00 C ATOM 469 CG TYR A 31 -1.939 8.563 -11.117 1.00 0.00 C ATOM 470 CD1 TYR A 31 -1.992 7.410 -11.907 1.00 0.00 C ATOM 471 CD2 TYR A 31 -1.738 9.813 -11.714 1.00 0.00 C ATOM 472 CE1 TYR A 31 -1.845 7.504 -13.294 1.00 0.00 C ATOM 473 CE2 TYR A 31 -1.590 9.908 -13.102 1.00 0.00 C ATOM 474 CZ TYR A 31 -1.644 8.753 -13.892 1.00 0.00 C ATOM 475 OH TYR A 31 -1.500 8.847 -15.261 1.00 0.00 O ATOM 0 H TYR A 31 -2.959 8.181 -7.309 1.00 0.00 H new ATOM 0 HA TYR A 31 -3.931 9.568 -9.585 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -1.532 9.236 -9.124 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -1.716 7.500 -9.270 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -2.147 6.446 -11.445 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -1.697 10.703 -11.104 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -1.887 6.613 -13.903 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.434 10.872 -13.564 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.369 9.785 -15.513 1.00 0.00 H new ATOM 485 N ALA A 32 -4.445 6.309 -9.467 1.00 0.00 N ATOM 486 CA ALA A 32 -5.188 5.217 -10.097 1.00 0.00 C ATOM 487 C ALA A 32 -6.701 5.405 -9.983 1.00 0.00 C ATOM 488 O ALA A 32 -7.450 5.051 -10.892 1.00 0.00 O ATOM 489 CB ALA A 32 -4.798 3.889 -9.446 1.00 0.00 C ATOM 0 H ALA A 32 -3.977 6.057 -8.597 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.930 5.216 -11.156 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.352 3.077 -9.916 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.729 3.721 -9.575 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.035 3.922 -8.383 1.00 0.00 H new ATOM 495 N PHE A 33 -7.139 5.940 -8.842 1.00 0.00 N ATOM 496 CA PHE A 33 -8.570 6.154 -8.581 1.00 0.00 C ATOM 497 C PHE A 33 -8.873 7.639 -8.358 1.00 0.00 C ATOM 498 O PHE A 33 -8.882 8.111 -7.221 1.00 0.00 O ATOM 499 CB PHE A 33 -8.969 5.361 -7.336 1.00 0.00 C ATOM 500 CG PHE A 33 -8.760 3.889 -7.601 1.00 0.00 C ATOM 501 CD1 PHE A 33 -7.524 3.297 -7.316 1.00 0.00 C ATOM 502 CD2 PHE A 33 -9.798 3.118 -8.139 1.00 0.00 C ATOM 503 CE1 PHE A 33 -7.326 1.934 -7.568 1.00 0.00 C ATOM 504 CE2 PHE A 33 -9.600 1.755 -8.391 1.00 0.00 C ATOM 505 CZ PHE A 33 -8.364 1.163 -8.105 1.00 0.00 C ATOM 0 H PHE A 33 -6.526 6.234 -8.082 1.00 0.00 H new ATOM 0 HA PHE A 33 -9.140 5.816 -9.447 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -8.372 5.678 -6.481 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -10.012 5.554 -7.085 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -6.723 3.892 -6.902 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -10.751 3.575 -8.360 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -6.372 1.477 -7.348 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -10.401 1.161 -8.806 1.00 0.00 H new ATOM 0 HZ PHE A 33 -8.211 0.112 -8.299 1.00 0.00 H new ATOM 515 N PRO A 34 -9.113 8.382 -9.415 1.00 0.00 N ATOM 516 CA PRO A 34 -9.412 9.841 -9.319 1.00 0.00 C ATOM 517 C PRO A 34 -10.803 10.159 -8.756 1.00 0.00 C ATOM 518 O PRO A 34 -11.021 11.209 -8.153 1.00 0.00 O ATOM 519 CB PRO A 34 -9.294 10.359 -10.782 1.00 0.00 C ATOM 520 CG PRO A 34 -8.914 9.180 -11.641 1.00 0.00 C ATOM 521 CD PRO A 34 -9.120 7.913 -10.808 1.00 0.00 C ATOM 0 HA PRO A 34 -8.723 10.319 -8.623 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -10.238 10.790 -11.115 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -8.542 11.145 -10.853 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -9.527 9.150 -12.542 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -7.876 9.261 -11.964 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -10.061 7.423 -11.057 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -8.326 7.188 -10.986 1.00 0.00 H new ATOM 529 N ASP A 35 -11.748 9.260 -9.024 1.00 0.00 N ATOM 530 CA ASP A 35 -13.144 9.456 -8.614 1.00 0.00 C ATOM 531 C ASP A 35 -13.496 8.841 -7.253 1.00 0.00 C ATOM 532 O ASP A 35 -14.608 9.067 -6.774 1.00 0.00 O ATOM 533 CB ASP A 35 -14.067 8.861 -9.678 1.00 0.00 C ATOM 534 CG ASP A 35 -15.503 9.310 -9.429 1.00 0.00 C ATOM 535 OD1 ASP A 35 -15.687 10.234 -8.652 1.00 0.00 O ATOM 536 OD2 ASP A 35 -16.397 8.731 -10.023 1.00 0.00 O ATOM 0 H ASP A 35 -11.576 8.387 -9.523 1.00 0.00 H new ATOM 0 HA ASP A 35 -13.281 10.532 -8.511 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -13.745 9.178 -10.670 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -14.008 7.773 -9.656 1.00 0.00 H new ATOM 541 N ASN A 36 -12.613 8.048 -6.634 1.00 0.00 N ATOM 542 CA ASN A 36 -12.956 7.412 -5.342 1.00 0.00 C ATOM 543 C ASN A 36 -11.950 7.737 -4.249 1.00 0.00 C ATOM 544 O ASN A 36 -10.749 7.553 -4.452 1.00 0.00 O ATOM 545 CB ASN A 36 -12.961 5.891 -5.530 1.00 0.00 C ATOM 546 CG ASN A 36 -14.142 5.472 -6.400 1.00 0.00 C ATOM 547 OD1 ASN A 36 -15.118 6.212 -6.522 1.00 0.00 O ATOM 548 ND2 ASN A 36 -14.108 4.323 -7.016 1.00 0.00 N ATOM 0 H ASN A 36 -11.681 7.831 -6.988 1.00 0.00 H new ATOM 0 HA ASN A 36 -13.931 7.794 -5.039 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -12.027 5.571 -5.993 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -13.021 5.397 -4.560 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -14.892 4.035 -7.601 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -13.297 3.713 -6.912 1.00 0.00 H new ATOM 555 N GLU A 37 -12.402 8.174 -3.085 1.00 0.00 N ATOM 556 CA GLU A 37 -11.490 8.455 -1.991 1.00 0.00 C ATOM 557 C GLU A 37 -10.769 7.180 -1.548 1.00 0.00 C ATOM 558 O GLU A 37 -11.408 6.203 -1.161 1.00 0.00 O ATOM 559 CB GLU A 37 -12.345 8.928 -0.805 1.00 0.00 C ATOM 560 CG GLU A 37 -11.450 9.518 0.291 1.00 0.00 C ATOM 561 CD GLU A 37 -10.863 10.845 -0.181 1.00 0.00 C ATOM 562 OE1 GLU A 37 -11.415 11.417 -1.107 1.00 0.00 O ATOM 563 OE2 GLU A 37 -9.878 11.275 0.396 1.00 0.00 O ATOM 0 H GLU A 37 -13.386 8.340 -2.875 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.755 9.195 -2.308 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -13.063 9.676 -1.140 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.919 8.092 -0.405 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.028 9.669 1.203 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.648 8.821 0.533 1.00 0.00 H new ATOM 570 N GLY A 38 -9.444 7.209 -1.569 1.00 0.00 N ATOM 571 CA GLY A 38 -8.672 6.044 -1.117 1.00 0.00 C ATOM 572 C GLY A 38 -7.962 6.311 0.201 1.00 0.00 C ATOM 573 O GLY A 38 -7.190 7.267 0.280 1.00 0.00 O ATOM 0 H GLY A 38 -8.886 8.002 -1.885 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.338 5.189 -1.004 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.938 5.778 -1.877 1.00 0.00 H new ATOM 577 N HIS A 39 -8.179 5.488 1.235 1.00 0.00 N ATOM 578 CA HIS A 39 -7.493 5.701 2.519 1.00 0.00 C ATOM 579 C HIS A 39 -6.586 4.512 2.779 1.00 0.00 C ATOM 580 O HIS A 39 -7.046 3.370 2.745 1.00 0.00 O ATOM 581 CB HIS A 39 -8.516 5.810 3.650 1.00 0.00 C ATOM 582 CG HIS A 39 -9.311 7.072 3.486 1.00 0.00 C ATOM 583 ND1 HIS A 39 -8.728 8.324 3.582 1.00 0.00 N ATOM 584 CD2 HIS A 39 -10.642 7.294 3.239 1.00 0.00 C ATOM 585 CE1 HIS A 39 -9.697 9.237 3.397 1.00 0.00 C ATOM 586 NE2 HIS A 39 -10.885 8.663 3.184 1.00 0.00 N ATOM 0 H HIS A 39 -8.809 4.686 1.212 1.00 0.00 H new ATOM 0 HA HIS A 39 -6.914 6.624 2.478 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -9.180 4.945 3.639 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -8.009 5.810 4.615 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -7.743 8.518 3.761 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -11.388 6.524 3.107 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -9.535 10.305 3.418 1.00 0.00 H new ATOM 594 N VAL A 40 -5.297 4.761 2.991 1.00 0.00 N ATOM 595 CA VAL A 40 -4.344 3.682 3.198 1.00 0.00 C ATOM 596 C VAL A 40 -3.754 3.713 4.601 1.00 0.00 C ATOM 597 O VAL A 40 -3.262 4.746 5.057 1.00 0.00 O ATOM 598 CB VAL A 40 -3.232 3.820 2.164 1.00 0.00 C ATOM 599 CG1 VAL A 40 -2.220 2.686 2.346 1.00 0.00 C ATOM 600 CG2 VAL A 40 -3.848 3.752 0.758 1.00 0.00 C ATOM 0 H VAL A 40 -4.892 5.697 3.023 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.860 2.729 3.085 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.721 4.774 2.293 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.425 2.785 1.606 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.792 2.737 3.347 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.721 1.727 2.214 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.061 3.850 0.011 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.354 2.796 0.629 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.567 4.562 0.636 1.00 0.00 H new ATOM 610 N SER A 41 -3.783 2.565 5.267 1.00 0.00 N ATOM 611 CA SER A 41 -3.220 2.445 6.615 1.00 0.00 C ATOM 612 C SER A 41 -2.212 1.308 6.656 1.00 0.00 C ATOM 613 O SER A 41 -2.423 0.255 6.053 1.00 0.00 O ATOM 614 CB SER A 41 -4.327 2.218 7.645 1.00 0.00 C ATOM 615 OG SER A 41 -5.159 3.371 7.698 1.00 0.00 O ATOM 0 H SER A 41 -4.188 1.704 4.901 1.00 0.00 H new ATOM 0 HA SER A 41 -2.711 3.376 6.865 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.916 1.341 7.376 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.893 2.022 8.626 1.00 0.00 H new ATOM 0 HG SER A 41 -5.872 3.230 8.356 1.00 0.00 H new ATOM 621 N VAL A 42 -1.119 1.523 7.387 1.00 0.00 N ATOM 622 CA VAL A 42 -0.080 0.499 7.524 1.00 0.00 C ATOM 623 C VAL A 42 0.241 0.304 8.997 1.00 0.00 C ATOM 624 O VAL A 42 0.504 1.266 9.719 1.00 0.00 O ATOM 625 CB VAL A 42 1.189 0.903 6.761 1.00 0.00 C ATOM 626 CG1 VAL A 42 2.256 -0.185 6.921 1.00 0.00 C ATOM 627 CG2 VAL A 42 0.871 1.102 5.272 1.00 0.00 C ATOM 0 H VAL A 42 -0.929 2.389 7.891 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.448 -0.435 7.100 1.00 0.00 H new ATOM 0 HB VAL A 42 1.564 1.841 7.170 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.156 0.105 6.378 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.494 -0.309 7.978 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.879 -1.126 6.521 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.779 1.388 4.741 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.485 0.172 4.855 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.123 1.887 5.161 1.00 0.00 H new ATOM 637 N ARG A 43 0.203 -0.952 9.443 1.00 0.00 N ATOM 638 CA ARG A 43 0.477 -1.260 10.845 1.00 0.00 C ATOM 639 C ARG A 43 1.103 -2.640 10.992 1.00 0.00 C ATOM 640 O ARG A 43 0.968 -3.490 10.112 1.00 0.00 O ATOM 641 CB ARG A 43 -0.824 -1.193 11.645 1.00 0.00 C ATOM 642 CG ARG A 43 -1.826 -2.200 11.074 1.00 0.00 C ATOM 643 CD ARG A 43 -3.151 -2.077 11.824 1.00 0.00 C ATOM 644 NE ARG A 43 -3.683 -0.728 11.672 1.00 0.00 N ATOM 645 CZ ARG A 43 -4.673 -0.287 12.438 1.00 0.00 C ATOM 646 NH1 ARG A 43 -5.657 -1.083 12.758 1.00 0.00 N ATOM 647 NH2 ARG A 43 -4.661 0.944 12.871 1.00 0.00 N ATOM 0 H ARG A 43 -0.012 -1.762 8.862 1.00 0.00 H new ATOM 0 HA ARG A 43 1.185 -0.525 11.228 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.630 -1.412 12.695 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.239 -0.186 11.601 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.979 -2.015 10.011 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.435 -3.213 11.168 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.866 -2.805 11.439 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.004 -2.302 12.880 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.287 -0.111 10.963 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -5.666 -2.045 12.419 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -6.417 -0.743 13.347 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -3.892 1.565 12.621 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -5.421 1.285 13.460 1.00 0.00 H new ATOM 661 N TYR A 44 1.769 -2.866 12.118 1.00 0.00 N ATOM 662 CA TYR A 44 2.388 -4.159 12.374 1.00 0.00 C ATOM 663 C TYR A 44 1.338 -5.116 12.930 1.00 0.00 C ATOM 664 O TYR A 44 0.535 -4.747 13.787 1.00 0.00 O ATOM 665 CB TYR A 44 3.540 -4.035 13.373 1.00 0.00 C ATOM 666 CG TYR A 44 4.703 -3.293 12.750 1.00 0.00 C ATOM 667 CD1 TYR A 44 5.406 -3.861 11.680 1.00 0.00 C ATOM 668 CD2 TYR A 44 5.090 -2.045 13.257 1.00 0.00 C ATOM 669 CE1 TYR A 44 6.494 -3.180 11.118 1.00 0.00 C ATOM 670 CE2 TYR A 44 6.174 -1.365 12.694 1.00 0.00 C ATOM 671 CZ TYR A 44 6.878 -1.932 11.625 1.00 0.00 C ATOM 672 OH TYR A 44 7.950 -1.261 11.072 1.00 0.00 O ATOM 0 H TYR A 44 1.893 -2.178 12.861 1.00 0.00 H new ATOM 0 HA TYR A 44 2.790 -4.540 11.435 1.00 0.00 H new ATOM 0 HB2 TYR A 44 3.201 -3.508 14.265 1.00 0.00 H new ATOM 0 HB3 TYR A 44 3.862 -5.027 13.691 1.00 0.00 H new ATOM 0 HD1 TYR A 44 5.110 -4.823 11.288 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.550 -1.608 14.084 1.00 0.00 H new ATOM 0 HE1 TYR A 44 7.037 -3.618 10.293 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.468 -0.402 13.084 1.00 0.00 H new ATOM 0 HH TYR A 44 8.081 -0.410 11.541 1.00 0.00 H new ATOM 682 N ALA A 45 1.361 -6.353 12.436 1.00 0.00 N ATOM 683 CA ALA A 45 0.423 -7.385 12.874 1.00 0.00 C ATOM 684 C ALA A 45 1.162 -8.708 12.982 1.00 0.00 C ATOM 685 O ALA A 45 2.297 -8.823 12.522 1.00 0.00 O ATOM 686 CB ALA A 45 -0.729 -7.520 11.877 1.00 0.00 C ATOM 0 H ALA A 45 2.024 -6.666 11.727 1.00 0.00 H new ATOM 0 HA ALA A 45 0.010 -7.106 13.844 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.418 -8.293 12.219 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.258 -6.570 11.802 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.333 -7.794 10.899 1.00 0.00 H new ATOM 692 N ALA A 46 0.538 -9.706 13.591 1.00 0.00 N ATOM 693 CA ALA A 46 1.199 -10.994 13.727 1.00 0.00 C ATOM 694 C ALA A 46 1.516 -11.570 12.347 1.00 0.00 C ATOM 695 O ALA A 46 2.449 -12.361 12.209 1.00 0.00 O ATOM 696 CB ALA A 46 0.351 -11.969 14.544 1.00 0.00 C ATOM 0 H ALA A 46 -0.400 -9.653 13.989 1.00 0.00 H new ATOM 0 HA ALA A 46 2.134 -10.844 14.266 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.872 -12.923 14.628 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.183 -11.559 15.540 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.607 -12.122 14.048 1.00 0.00 H new ATOM 702 N ALA A 47 0.725 -11.210 11.324 1.00 0.00 N ATOM 703 CA ALA A 47 0.949 -11.759 9.976 1.00 0.00 C ATOM 704 C ALA A 47 0.756 -10.722 8.868 1.00 0.00 C ATOM 705 O ALA A 47 -0.047 -9.798 9.001 1.00 0.00 O ATOM 706 CB ALA A 47 0.000 -12.934 9.737 1.00 0.00 C ATOM 0 H ALA A 47 -0.056 -10.558 11.399 1.00 0.00 H new ATOM 0 HA ALA A 47 1.988 -12.085 9.936 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.167 -13.339 8.739 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.187 -13.710 10.480 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.031 -12.592 9.822 1.00 0.00 H new ATOM 712 N ASN A 48 1.454 -10.924 7.749 1.00 0.00 N ATOM 713 CA ASN A 48 1.304 -10.044 6.593 1.00 0.00 C ATOM 714 C ASN A 48 -0.060 -10.312 5.966 1.00 0.00 C ATOM 715 O ASN A 48 -0.384 -11.456 5.646 1.00 0.00 O ATOM 716 CB ASN A 48 2.399 -10.325 5.561 1.00 0.00 C ATOM 717 CG ASN A 48 2.343 -9.278 4.452 1.00 0.00 C ATOM 718 OD1 ASN A 48 2.357 -8.079 4.727 1.00 0.00 O ATOM 719 ND2 ASN A 48 2.263 -9.664 3.207 1.00 0.00 N ATOM 0 H ASN A 48 2.123 -11.683 7.621 1.00 0.00 H new ATOM 0 HA ASN A 48 1.387 -9.005 6.911 1.00 0.00 H new ATOM 0 HB2 ASN A 48 3.377 -10.308 6.041 1.00 0.00 H new ATOM 0 HB3 ASN A 48 2.268 -11.322 5.140 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.212 -8.971 2.460 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.252 -10.659 2.981 1.00 0.00 H new ATOM 726 N ASN A 49 -0.857 -9.264 5.777 1.00 0.00 N ATOM 727 CA ASN A 49 -2.180 -9.411 5.173 1.00 0.00 C ATOM 728 C ASN A 49 -2.573 -8.129 4.439 1.00 0.00 C ATOM 729 O ASN A 49 -2.189 -7.031 4.841 1.00 0.00 O ATOM 730 CB ASN A 49 -3.223 -9.713 6.256 1.00 0.00 C ATOM 731 CG ASN A 49 -2.875 -11.008 6.985 1.00 0.00 C ATOM 732 OD1 ASN A 49 -2.680 -12.103 6.300 1.00 0.00 O flip ATOM 733 ND2 ASN A 49 -2.792 -11.027 8.214 1.00 0.00 N flip ATOM 0 H ASN A 49 -0.612 -8.307 6.032 1.00 0.00 H new ATOM 0 HA ASN A 49 -2.144 -10.237 4.462 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.267 -8.888 6.967 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.211 -9.797 5.804 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -2.944 -10.172 8.749 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -2.571 -11.898 8.697 1.00 0.00 H new ATOM 740 N LEU A 50 -3.372 -8.275 3.381 1.00 0.00 N ATOM 741 CA LEU A 50 -3.864 -7.133 2.602 1.00 0.00 C ATOM 742 C LEU A 50 -5.384 -7.244 2.577 1.00 0.00 C ATOM 743 O LEU A 50 -5.916 -8.252 2.114 1.00 0.00 O ATOM 744 CB LEU A 50 -3.305 -7.197 1.168 1.00 0.00 C ATOM 745 CG LEU A 50 -3.797 -5.996 0.325 1.00 0.00 C ATOM 746 CD1 LEU A 50 -3.045 -4.723 0.715 1.00 0.00 C ATOM 747 CD2 LEU A 50 -3.555 -6.273 -1.165 1.00 0.00 C ATOM 0 H LEU A 50 -3.696 -9.180 3.040 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.547 -6.188 3.043 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.215 -7.202 1.199 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.615 -8.129 0.695 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.862 -5.859 0.513 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.404 -3.889 0.112 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.216 -4.508 1.770 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.978 -4.863 0.542 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.903 -5.425 -1.754 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.489 -6.423 -1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.100 -7.169 -1.462 1.00 0.00 H new ATOM 759 N SER A 51 -6.091 -6.218 3.059 1.00 0.00 N ATOM 760 CA SER A 51 -7.558 -6.240 3.063 1.00 0.00 C ATOM 761 C SER A 51 -8.102 -5.031 2.301 1.00 0.00 C ATOM 762 O SER A 51 -7.709 -3.897 2.576 1.00 0.00 O ATOM 763 CB SER A 51 -8.057 -6.187 4.507 1.00 0.00 C ATOM 764 OG SER A 51 -9.475 -6.281 4.519 1.00 0.00 O ATOM 0 H SER A 51 -5.678 -5.370 3.448 1.00 0.00 H new ATOM 0 HA SER A 51 -7.904 -7.154 2.580 1.00 0.00 H new ATOM 0 HB2 SER A 51 -7.622 -7.003 5.084 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.739 -5.258 4.980 1.00 0.00 H new ATOM 0 HG SER A 51 -9.797 -6.249 5.444 1.00 0.00 H new ATOM 770 N VAL A 52 -9.024 -5.269 1.364 1.00 0.00 N ATOM 771 CA VAL A 52 -9.637 -4.181 0.592 1.00 0.00 C ATOM 772 C VAL A 52 -11.152 -4.233 0.767 1.00 0.00 C ATOM 773 O VAL A 52 -11.771 -5.270 0.523 1.00 0.00 O ATOM 774 CB VAL A 52 -9.284 -4.317 -0.892 1.00 0.00 C ATOM 775 CG1 VAL A 52 -9.926 -3.175 -1.688 1.00 0.00 C ATOM 776 CG2 VAL A 52 -7.765 -4.266 -1.064 1.00 0.00 C ATOM 0 H VAL A 52 -9.362 -6.200 1.121 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.256 -3.226 0.955 1.00 0.00 H new ATOM 0 HB VAL A 52 -9.662 -5.270 -1.263 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -9.671 -3.278 -2.743 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -11.009 -3.214 -1.571 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.555 -2.220 -1.317 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.515 -4.363 -2.121 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.388 -3.315 -0.688 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.308 -5.084 -0.507 1.00 0.00 H new ATOM 786 N ILE A 53 -11.752 -3.117 1.188 1.00 0.00 N ATOM 787 CA ILE A 53 -13.205 -3.052 1.389 1.00 0.00 C ATOM 788 C ILE A 53 -13.830 -1.977 0.500 1.00 0.00 C ATOM 789 O ILE A 53 -13.381 -0.831 0.492 1.00 0.00 O ATOM 790 CB ILE A 53 -13.501 -2.729 2.860 1.00 0.00 C ATOM 791 CG1 ILE A 53 -12.921 -3.839 3.779 1.00 0.00 C ATOM 792 CG2 ILE A 53 -15.016 -2.582 3.063 1.00 0.00 C ATOM 793 CD1 ILE A 53 -13.941 -4.967 4.017 1.00 0.00 C ATOM 0 H ILE A 53 -11.259 -2.249 1.396 1.00 0.00 H new ATOM 0 HA ILE A 53 -13.636 -4.017 1.123 1.00 0.00 H new ATOM 0 HB ILE A 53 -13.023 -1.786 3.127 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -12.019 -4.252 3.327 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -12.628 -3.405 4.735 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -15.222 -2.353 4.108 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.391 -1.775 2.434 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -15.512 -3.514 2.791 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -13.500 -5.725 4.664 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -14.832 -4.557 4.493 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -14.214 -5.418 3.063 1.00 0.00 H new ATOM 805 N GLY A 54 -14.887 -2.346 -0.229 1.00 0.00 N ATOM 806 CA GLY A 54 -15.584 -1.392 -1.096 1.00 0.00 C ATOM 807 C GLY A 54 -15.037 -1.393 -2.523 1.00 0.00 C ATOM 808 O GLY A 54 -15.289 -0.453 -3.276 1.00 0.00 O ATOM 0 H GLY A 54 -15.276 -3.289 -0.237 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -16.647 -1.634 -1.117 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -15.493 -0.390 -0.676 1.00 0.00 H new ATOM 812 N ALA A 55 -14.279 -2.431 -2.898 1.00 0.00 N ATOM 813 CA ALA A 55 -13.696 -2.496 -4.250 1.00 0.00 C ATOM 814 C ALA A 55 -14.111 -3.760 -4.998 1.00 0.00 C ATOM 815 O ALA A 55 -14.526 -4.758 -4.409 1.00 0.00 O ATOM 816 CB ALA A 55 -12.167 -2.432 -4.158 1.00 0.00 C ATOM 0 H ALA A 55 -14.056 -3.226 -2.299 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.076 -1.642 -4.811 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.740 -2.480 -5.160 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.870 -1.498 -3.682 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -11.803 -3.272 -3.567 1.00 0.00 H new ATOM 822 N THR A 56 -13.935 -3.690 -6.317 1.00 0.00 N ATOM 823 CA THR A 56 -14.209 -4.779 -7.245 1.00 0.00 C ATOM 824 C THR A 56 -12.950 -5.607 -7.452 1.00 0.00 C ATOM 825 O THR A 56 -11.841 -5.160 -7.160 1.00 0.00 O ATOM 826 CB THR A 56 -14.621 -4.183 -8.595 1.00 0.00 C ATOM 827 OG1 THR A 56 -13.560 -3.387 -9.104 1.00 0.00 O ATOM 828 CG2 THR A 56 -15.868 -3.318 -8.411 1.00 0.00 C ATOM 0 H THR A 56 -13.588 -2.849 -6.779 1.00 0.00 H new ATOM 0 HA THR A 56 -15.002 -5.408 -6.841 1.00 0.00 H new ATOM 0 HB THR A 56 -14.839 -4.988 -9.297 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.692 -2.454 -8.834 1.00 0.00 H new ATOM 0 HG21 THR A 56 -16.161 -2.894 -9.371 1.00 0.00 H new ATOM 0 HG22 THR A 56 -16.681 -3.930 -8.021 1.00 0.00 H new ATOM 0 HG23 THR A 56 -15.652 -2.512 -7.709 1.00 0.00 H new ATOM 836 N LYS A 57 -13.142 -6.841 -7.911 1.00 0.00 N ATOM 837 CA LYS A 57 -12.031 -7.763 -8.104 1.00 0.00 C ATOM 838 C LYS A 57 -10.975 -7.200 -9.055 1.00 0.00 C ATOM 839 O LYS A 57 -9.780 -7.361 -8.805 1.00 0.00 O ATOM 840 CB LYS A 57 -12.552 -9.100 -8.658 1.00 0.00 C ATOM 841 CG LYS A 57 -13.560 -9.746 -7.687 1.00 0.00 C ATOM 842 CD LYS A 57 -14.051 -11.070 -8.274 1.00 0.00 C ATOM 843 CE LYS A 57 -15.052 -11.712 -7.311 1.00 0.00 C ATOM 844 NZ LYS A 57 -16.162 -10.755 -7.042 1.00 0.00 N ATOM 0 H LYS A 57 -14.056 -7.223 -8.155 1.00 0.00 H new ATOM 0 HA LYS A 57 -11.561 -7.914 -7.132 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -13.027 -8.936 -9.625 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.716 -9.779 -8.825 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.091 -9.917 -6.718 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.402 -9.075 -7.520 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -14.520 -10.899 -9.243 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.209 -11.741 -8.441 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -15.447 -12.633 -7.740 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.555 -11.982 -6.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -17.005 -11.279 -6.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -15.874 -10.090 -6.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -16.383 -10.227 -7.910 1.00 0.00 H new ATOM 858 N GLU A 58 -11.385 -6.531 -10.131 1.00 0.00 N ATOM 859 CA GLU A 58 -10.416 -5.957 -11.067 1.00 0.00 C ATOM 860 C GLU A 58 -9.626 -4.825 -10.412 1.00 0.00 C ATOM 861 O GLU A 58 -8.420 -4.699 -10.626 1.00 0.00 O ATOM 862 CB GLU A 58 -11.135 -5.431 -12.324 1.00 0.00 C ATOM 863 CG GLU A 58 -11.537 -6.589 -13.254 1.00 0.00 C ATOM 864 CD GLU A 58 -10.296 -7.288 -13.801 1.00 0.00 C ATOM 865 OE1 GLU A 58 -9.507 -6.626 -14.454 1.00 0.00 O ATOM 866 OE2 GLU A 58 -10.156 -8.476 -13.562 1.00 0.00 O ATOM 0 H GLU A 58 -12.363 -6.374 -10.375 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.719 -6.744 -11.354 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -12.022 -4.870 -12.032 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.483 -4.740 -12.858 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -12.154 -7.304 -12.709 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -12.141 -6.209 -14.078 1.00 0.00 H new ATOM 873 N ASP A 59 -10.306 -4.010 -9.591 1.00 0.00 N ATOM 874 CA ASP A 59 -9.634 -2.914 -8.900 1.00 0.00 C ATOM 875 C ASP A 59 -8.584 -3.490 -7.963 1.00 0.00 C ATOM 876 O ASP A 59 -7.459 -2.998 -7.875 1.00 0.00 O ATOM 877 CB ASP A 59 -10.639 -2.086 -8.095 1.00 0.00 C ATOM 878 CG ASP A 59 -11.540 -1.293 -9.035 1.00 0.00 C ATOM 879 OD1 ASP A 59 -11.132 -1.064 -10.162 1.00 0.00 O ATOM 880 OD2 ASP A 59 -12.623 -0.925 -8.613 1.00 0.00 O ATOM 0 H ASP A 59 -11.304 -4.091 -9.395 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.163 -2.264 -9.638 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -11.243 -2.742 -7.468 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -10.109 -1.406 -7.427 1.00 0.00 H new ATOM 885 N LYS A 60 -8.983 -4.542 -7.265 1.00 0.00 N ATOM 886 CA LYS A 60 -8.095 -5.203 -6.321 1.00 0.00 C ATOM 887 C LYS A 60 -6.866 -5.787 -7.021 1.00 0.00 C ATOM 888 O LYS A 60 -5.757 -5.659 -6.501 1.00 0.00 O ATOM 889 CB LYS A 60 -8.845 -6.286 -5.540 1.00 0.00 C ATOM 890 CG LYS A 60 -7.910 -6.952 -4.525 1.00 0.00 C ATOM 891 CD LYS A 60 -8.684 -8.027 -3.761 1.00 0.00 C ATOM 892 CE LYS A 60 -7.714 -8.856 -2.919 1.00 0.00 C ATOM 893 NZ LYS A 60 -8.489 -9.744 -2.007 1.00 0.00 N ATOM 0 H LYS A 60 -9.913 -4.955 -7.334 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.743 -4.451 -5.614 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.699 -5.847 -5.025 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.238 -7.034 -6.228 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.055 -7.396 -5.036 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.516 -6.208 -3.832 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.433 -7.563 -3.120 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.217 -8.671 -4.460 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.071 -9.452 -3.566 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.064 -8.200 -2.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.832 -10.310 -1.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.085 -9.165 -1.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.091 -10.378 -2.569 1.00 0.00 H new ATOM 907 N GLN A 61 -7.021 -6.394 -8.197 1.00 0.00 N ATOM 908 CA GLN A 61 -5.850 -6.926 -8.892 1.00 0.00 C ATOM 909 C GLN A 61 -4.932 -5.769 -9.259 1.00 0.00 C ATOM 910 O GLN A 61 -3.716 -5.867 -9.100 1.00 0.00 O ATOM 911 CB GLN A 61 -6.271 -7.682 -10.156 1.00 0.00 C ATOM 912 CG GLN A 61 -6.980 -8.982 -9.772 1.00 0.00 C ATOM 913 CD GLN A 61 -7.604 -9.617 -11.011 1.00 0.00 C ATOM 914 OE1 GLN A 61 -7.799 -8.944 -12.023 1.00 0.00 O ATOM 915 NE2 GLN A 61 -7.927 -10.882 -10.994 1.00 0.00 N ATOM 0 H GLN A 61 -7.912 -6.527 -8.675 1.00 0.00 H new ATOM 0 HA GLN A 61 -5.327 -7.624 -8.238 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -6.933 -7.060 -10.759 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -5.396 -7.902 -10.768 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -6.271 -9.673 -9.316 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -7.751 -8.780 -9.028 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -7.765 -11.439 -10.155 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -8.341 -11.314 -11.820 1.00 0.00 H new ATOM 924 N ARG A 62 -5.508 -4.665 -9.757 1.00 0.00 N ATOM 925 CA ARG A 62 -4.695 -3.520 -10.136 1.00 0.00 C ATOM 926 C ARG A 62 -3.933 -3.020 -8.914 1.00 0.00 C ATOM 927 O ARG A 62 -2.738 -2.741 -8.991 1.00 0.00 O ATOM 928 CB ARG A 62 -5.562 -2.411 -10.745 1.00 0.00 C ATOM 929 CG ARG A 62 -4.704 -1.199 -11.147 1.00 0.00 C ATOM 930 CD ARG A 62 -3.645 -1.594 -12.187 1.00 0.00 C ATOM 931 NE ARG A 62 -3.138 -0.402 -12.864 1.00 0.00 N ATOM 932 CZ ARG A 62 -2.232 0.386 -12.291 1.00 0.00 C ATOM 933 NH1 ARG A 62 -1.042 -0.076 -12.017 1.00 0.00 N ATOM 934 NH2 ARG A 62 -2.532 1.624 -12.005 1.00 0.00 N ATOM 0 H ARG A 62 -6.511 -4.549 -9.901 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.978 -3.823 -10.899 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.088 -2.795 -11.619 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.321 -2.102 -10.026 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.343 -0.415 -11.554 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.216 -0.786 -10.264 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.825 -2.122 -11.700 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.077 -2.280 -12.916 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.486 -0.170 -13.794 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.806 -1.042 -12.242 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -0.349 0.529 -11.578 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -3.461 1.987 -12.221 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -1.838 2.229 -11.566 1.00 0.00 H new ATOM 948 N ILE A 63 -4.626 -2.922 -7.783 1.00 0.00 N ATOM 949 CA ILE A 63 -3.973 -2.466 -6.560 1.00 0.00 C ATOM 950 C ILE A 63 -2.829 -3.403 -6.177 1.00 0.00 C ATOM 951 O ILE A 63 -1.739 -2.940 -5.844 1.00 0.00 O ATOM 952 CB ILE A 63 -4.972 -2.306 -5.411 1.00 0.00 C ATOM 953 CG1 ILE A 63 -5.890 -1.108 -5.689 1.00 0.00 C ATOM 954 CG2 ILE A 63 -4.223 -2.075 -4.089 1.00 0.00 C ATOM 955 CD1 ILE A 63 -7.074 -1.137 -4.720 1.00 0.00 C ATOM 0 H ILE A 63 -5.616 -3.146 -7.687 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.552 -1.480 -6.756 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.568 -3.215 -5.332 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.335 -0.177 -5.574 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -6.248 -1.141 -6.718 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.943 -1.962 -3.278 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.576 -2.928 -3.884 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.619 -1.171 -4.166 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.726 -0.286 -4.917 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.633 -2.062 -4.857 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -6.707 -1.083 -3.695 1.00 0.00 H new ATOM 967 N SER A 64 -3.048 -4.709 -6.259 1.00 0.00 N ATOM 968 CA SER A 64 -1.963 -5.630 -5.946 1.00 0.00 C ATOM 969 C SER A 64 -0.820 -5.341 -6.918 1.00 0.00 C ATOM 970 O SER A 64 0.339 -5.335 -6.508 1.00 0.00 O ATOM 971 CB SER A 64 -2.421 -7.084 -6.082 1.00 0.00 C ATOM 972 OG SER A 64 -3.441 -7.346 -5.126 1.00 0.00 O ATOM 0 H SER A 64 -3.931 -5.143 -6.529 1.00 0.00 H new ATOM 0 HA SER A 64 -1.639 -5.489 -4.915 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.795 -7.267 -7.089 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.579 -7.759 -5.927 1.00 0.00 H new ATOM 0 HG SER A 64 -4.274 -6.913 -5.409 1.00 0.00 H new ATOM 978 N GLU A 65 -1.121 -5.090 -8.208 1.00 0.00 N ATOM 979 CA GLU A 65 -0.064 -4.800 -9.179 1.00 0.00 C ATOM 980 C GLU A 65 0.673 -3.526 -8.775 1.00 0.00 C ATOM 981 O GLU A 65 1.901 -3.467 -8.832 1.00 0.00 O ATOM 982 CB GLU A 65 -0.643 -4.658 -10.584 1.00 0.00 C ATOM 983 CG GLU A 65 -1.112 -6.026 -11.079 1.00 0.00 C ATOM 984 CD GLU A 65 -1.758 -5.888 -12.452 1.00 0.00 C ATOM 985 OE1 GLU A 65 -2.002 -4.764 -12.859 1.00 0.00 O ATOM 986 OE2 GLU A 65 -2.001 -6.907 -13.075 1.00 0.00 O ATOM 0 H GLU A 65 -2.067 -5.083 -8.589 1.00 0.00 H new ATOM 0 HA GLU A 65 0.641 -5.632 -9.187 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.477 -3.956 -10.577 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.109 -4.252 -11.260 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.267 -6.712 -11.133 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.825 -6.453 -10.373 1.00 0.00 H new ATOM 993 N ILE A 66 -0.077 -2.514 -8.361 1.00 0.00 N ATOM 994 CA ILE A 66 0.527 -1.254 -7.943 1.00 0.00 C ATOM 995 C ILE A 66 1.467 -1.492 -6.767 1.00 0.00 C ATOM 996 O ILE A 66 2.591 -0.988 -6.746 1.00 0.00 O ATOM 997 CB ILE A 66 -0.585 -0.259 -7.572 1.00 0.00 C ATOM 998 CG1 ILE A 66 -1.311 0.171 -8.855 1.00 0.00 C ATOM 999 CG2 ILE A 66 -0.001 0.977 -6.879 1.00 0.00 C ATOM 1000 CD1 ILE A 66 -2.526 1.039 -8.511 1.00 0.00 C ATOM 0 H ILE A 66 -1.095 -2.538 -8.305 1.00 0.00 H new ATOM 0 HA ILE A 66 1.113 -0.834 -8.761 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.280 -0.742 -6.885 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.629 0.726 -9.499 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.630 -0.709 -9.413 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -0.806 1.667 -6.626 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.516 0.673 -5.969 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.703 1.471 -7.549 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.032 1.337 -9.429 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.214 0.470 -7.886 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.197 1.928 -7.973 1.00 0.00 H new ATOM 1012 N LEU A 67 1.007 -2.269 -5.799 1.00 0.00 N ATOM 1013 CA LEU A 67 1.824 -2.568 -4.643 1.00 0.00 C ATOM 1014 C LEU A 67 3.096 -3.267 -5.096 1.00 0.00 C ATOM 1015 O LEU A 67 4.190 -2.946 -4.630 1.00 0.00 O ATOM 1016 CB LEU A 67 1.044 -3.460 -3.656 1.00 0.00 C ATOM 1017 CG LEU A 67 1.968 -4.081 -2.581 1.00 0.00 C ATOM 1018 CD1 LEU A 67 2.497 -3.001 -1.628 1.00 0.00 C ATOM 1019 CD2 LEU A 67 1.160 -5.105 -1.775 1.00 0.00 C ATOM 0 H LEU A 67 0.082 -2.698 -5.794 1.00 0.00 H new ATOM 0 HA LEU A 67 2.085 -1.641 -4.133 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.268 -2.870 -3.169 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.542 -4.256 -4.206 1.00 0.00 H new ATOM 0 HG LEU A 67 2.816 -4.557 -3.073 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.144 -3.460 -0.881 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.064 -2.262 -2.194 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.659 -2.512 -1.131 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.797 -5.552 -1.012 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.316 -4.608 -1.297 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.791 -5.884 -2.442 1.00 0.00 H new ATOM 1031 N GLN A 68 2.956 -4.199 -6.024 1.00 0.00 N ATOM 1032 CA GLN A 68 4.119 -4.892 -6.541 1.00 0.00 C ATOM 1033 C GLN A 68 5.088 -3.898 -7.183 1.00 0.00 C ATOM 1034 O GLN A 68 6.282 -3.923 -6.891 1.00 0.00 O ATOM 1035 CB GLN A 68 3.704 -5.943 -7.573 1.00 0.00 C ATOM 1036 CG GLN A 68 2.980 -7.097 -6.880 1.00 0.00 C ATOM 1037 CD GLN A 68 2.354 -8.015 -7.925 1.00 0.00 C ATOM 1038 OE1 GLN A 68 1.255 -7.745 -8.409 1.00 0.00 O ATOM 1039 NE2 GLN A 68 2.997 -9.080 -8.317 1.00 0.00 N ATOM 0 H GLN A 68 2.065 -4.488 -6.427 1.00 0.00 H new ATOM 0 HA GLN A 68 4.616 -5.390 -5.709 1.00 0.00 H new ATOM 0 HB2 GLN A 68 3.053 -5.492 -8.322 1.00 0.00 H new ATOM 0 HB3 GLN A 68 4.583 -6.317 -8.098 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.680 -7.659 -6.262 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.209 -6.708 -6.215 1.00 0.00 H new ATOM 0 HE21 GLN A 68 3.908 -9.303 -7.915 1.00 0.00 H new ATOM 0 HE22 GLN A 68 2.589 -9.690 -9.025 1.00 0.00 H new ATOM 1048 N GLU A 69 4.593 -3.047 -8.084 1.00 0.00 N ATOM 1049 CA GLU A 69 5.466 -2.095 -8.772 1.00 0.00 C ATOM 1050 C GLU A 69 6.127 -1.082 -7.830 1.00 0.00 C ATOM 1051 O GLU A 69 7.325 -0.821 -7.949 1.00 0.00 O ATOM 1052 CB GLU A 69 4.675 -1.362 -9.854 1.00 0.00 C ATOM 1053 CG GLU A 69 4.349 -2.341 -10.985 1.00 0.00 C ATOM 1054 CD GLU A 69 3.559 -1.636 -12.080 1.00 0.00 C ATOM 1055 OE1 GLU A 69 3.043 -0.563 -11.815 1.00 0.00 O ATOM 1056 OE2 GLU A 69 3.481 -2.180 -13.169 1.00 0.00 O ATOM 0 H GLU A 69 3.610 -2.997 -8.351 1.00 0.00 H new ATOM 0 HA GLU A 69 6.274 -2.675 -9.217 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.756 -0.952 -9.435 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.253 -0.522 -10.239 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.271 -2.751 -11.398 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.774 -3.180 -10.595 1.00 0.00 H new ATOM 1063 N THR A 70 5.367 -0.515 -6.899 1.00 0.00 N ATOM 1064 CA THR A 70 5.937 0.457 -5.965 1.00 0.00 C ATOM 1065 C THR A 70 7.045 -0.202 -5.175 1.00 0.00 C ATOM 1066 O THR A 70 8.135 0.344 -4.999 1.00 0.00 O ATOM 1067 CB THR A 70 4.850 0.955 -5.019 1.00 0.00 C ATOM 1068 OG1 THR A 70 3.847 1.631 -5.765 1.00 0.00 O ATOM 1069 CG2 THR A 70 5.447 1.902 -3.977 1.00 0.00 C ATOM 0 H THR A 70 4.373 -0.705 -6.769 1.00 0.00 H new ATOM 0 HA THR A 70 6.342 1.304 -6.518 1.00 0.00 H new ATOM 0 HB THR A 70 4.409 0.102 -4.504 1.00 0.00 H new ATOM 0 HG1 THR A 70 3.281 0.974 -6.222 1.00 0.00 H new ATOM 0 HG21 THR A 70 4.660 2.250 -3.308 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.207 1.375 -3.400 1.00 0.00 H new ATOM 0 HG23 THR A 70 5.900 2.757 -4.479 1.00 0.00 H new ATOM 1077 N TRP A 71 6.719 -1.387 -4.692 1.00 0.00 N ATOM 1078 CA TRP A 71 7.628 -2.177 -3.895 1.00 0.00 C ATOM 1079 C TRP A 71 8.894 -2.476 -4.690 1.00 0.00 C ATOM 1080 O TRP A 71 9.991 -2.439 -4.136 1.00 0.00 O ATOM 1081 CB TRP A 71 6.856 -3.430 -3.475 1.00 0.00 C ATOM 1082 CG TRP A 71 7.626 -4.288 -2.513 1.00 0.00 C ATOM 1083 CD1 TRP A 71 7.831 -5.615 -2.682 1.00 0.00 C ATOM 1084 CD2 TRP A 71 8.255 -3.939 -1.231 1.00 0.00 C ATOM 1085 NE1 TRP A 71 8.573 -6.096 -1.623 1.00 0.00 N ATOM 1086 CE2 TRP A 71 8.859 -5.108 -0.704 1.00 0.00 C ATOM 1087 CE3 TRP A 71 8.379 -2.744 -0.483 1.00 0.00 C ATOM 1088 CZ2 TRP A 71 9.553 -5.096 0.506 1.00 0.00 C ATOM 1089 CZ3 TRP A 71 9.075 -2.736 0.737 1.00 0.00 C ATOM 1090 CH2 TRP A 71 9.663 -3.907 1.228 1.00 0.00 C ATOM 0 H TRP A 71 5.811 -1.827 -4.844 1.00 0.00 H new ATOM 0 HA TRP A 71 7.967 -1.654 -3.001 1.00 0.00 H new ATOM 0 HB2 TRP A 71 5.912 -3.134 -3.017 1.00 0.00 H new ATOM 0 HB3 TRP A 71 6.610 -4.015 -4.361 1.00 0.00 H new ATOM 0 HD1 TRP A 71 7.471 -6.203 -3.513 1.00 0.00 H new ATOM 0 HE1 TRP A 71 8.874 -7.066 -1.531 1.00 0.00 H new ATOM 0 HE3 TRP A 71 7.935 -1.832 -0.853 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 10.003 -6.003 0.882 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 9.157 -1.818 1.301 1.00 0.00 H new ATOM 0 HH2 TRP A 71 10.201 -3.891 2.164 1.00 0.00 H new ATOM 1101 N GLU A 72 8.761 -2.773 -5.973 1.00 0.00 N ATOM 1102 CA GLU A 72 9.922 -3.079 -6.814 1.00 0.00 C ATOM 1103 C GLU A 72 10.718 -1.825 -7.176 1.00 0.00 C ATOM 1104 O GLU A 72 11.860 -1.946 -7.621 1.00 0.00 O ATOM 1105 CB GLU A 72 9.490 -3.826 -8.080 1.00 0.00 C ATOM 1106 CG GLU A 72 9.049 -5.247 -7.710 1.00 0.00 C ATOM 1107 CD GLU A 72 8.601 -6.000 -8.960 1.00 0.00 C ATOM 1108 OE1 GLU A 72 8.431 -5.361 -9.985 1.00 0.00 O ATOM 1109 OE2 GLU A 72 8.436 -7.206 -8.872 1.00 0.00 O ATOM 0 H GLU A 72 7.865 -2.810 -6.460 1.00 0.00 H new ATOM 0 HA GLU A 72 10.580 -3.723 -6.232 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.672 -3.295 -8.567 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.314 -3.863 -8.792 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.872 -5.778 -7.231 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.233 -5.207 -6.988 1.00 0.00 H new ATOM 1116 N SER A 73 10.142 -0.620 -7.016 1.00 0.00 N ATOM 1117 CA SER A 73 10.871 0.612 -7.375 1.00 0.00 C ATOM 1118 C SER A 73 11.312 1.375 -6.129 1.00 0.00 C ATOM 1119 O SER A 73 11.479 2.593 -6.162 1.00 0.00 O ATOM 1120 CB SER A 73 9.987 1.505 -8.247 1.00 0.00 C ATOM 1121 OG SER A 73 8.914 2.014 -7.466 1.00 0.00 O ATOM 0 H SER A 73 9.201 -0.473 -6.651 1.00 0.00 H new ATOM 0 HA SER A 73 11.763 0.328 -7.933 1.00 0.00 H new ATOM 0 HB2 SER A 73 10.574 2.326 -8.658 1.00 0.00 H new ATOM 0 HB3 SER A 73 9.599 0.937 -9.092 1.00 0.00 H new ATOM 0 HG SER A 73 8.777 1.439 -6.685 1.00 0.00 H new ATOM 1127 N ALA A 74 11.430 0.657 -5.019 1.00 0.00 N ATOM 1128 CA ALA A 74 11.772 1.246 -3.728 1.00 0.00 C ATOM 1129 C ALA A 74 13.042 2.105 -3.694 1.00 0.00 C ATOM 1130 O ALA A 74 13.101 3.086 -2.967 1.00 0.00 O ATOM 1131 CB ALA A 74 11.937 0.113 -2.713 1.00 0.00 C ATOM 0 H ALA A 74 11.291 -0.353 -4.987 1.00 0.00 H new ATOM 0 HA ALA A 74 10.953 1.927 -3.496 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.193 0.531 -1.740 1.00 0.00 H new ATOM 0 HB2 ALA A 74 11.003 -0.444 -2.634 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.732 -0.556 -3.041 1.00 0.00 H new ATOM 1137 N ASP A 75 14.056 1.736 -4.459 1.00 0.00 N ATOM 1138 CA ASP A 75 15.314 2.492 -4.457 1.00 0.00 C ATOM 1139 C ASP A 75 15.160 3.905 -5.039 1.00 0.00 C ATOM 1140 O ASP A 75 16.008 4.765 -4.799 1.00 0.00 O ATOM 1141 CB ASP A 75 16.363 1.728 -5.265 1.00 0.00 C ATOM 1142 CG ASP A 75 15.885 1.547 -6.701 1.00 0.00 C ATOM 1143 OD1 ASP A 75 14.891 2.160 -7.055 1.00 0.00 O ATOM 1144 OD2 ASP A 75 16.519 0.798 -7.426 1.00 0.00 O ATOM 0 H ASP A 75 14.042 0.930 -5.084 1.00 0.00 H new ATOM 0 HA ASP A 75 15.624 2.601 -3.418 1.00 0.00 H new ATOM 0 HB2 ASP A 75 17.309 2.270 -5.253 1.00 0.00 H new ATOM 0 HB3 ASP A 75 16.548 0.755 -4.809 1.00 0.00 H new ATOM 1149 N ASP A 76 14.110 4.144 -5.817 1.00 0.00 N ATOM 1150 CA ASP A 76 13.902 5.460 -6.440 1.00 0.00 C ATOM 1151 C ASP A 76 13.016 6.396 -5.606 1.00 0.00 C ATOM 1152 O ASP A 76 13.341 7.574 -5.456 1.00 0.00 O ATOM 1153 CB ASP A 76 13.270 5.270 -7.822 1.00 0.00 C ATOM 1154 CG ASP A 76 14.294 4.677 -8.786 1.00 0.00 C ATOM 1155 OD1 ASP A 76 15.475 4.759 -8.492 1.00 0.00 O ATOM 1156 OD2 ASP A 76 13.881 4.154 -9.809 1.00 0.00 O ATOM 0 H ASP A 76 13.391 3.454 -6.034 1.00 0.00 H new ATOM 0 HA ASP A 76 14.882 5.932 -6.514 1.00 0.00 H new ATOM 0 HB2 ASP A 76 12.404 4.612 -7.748 1.00 0.00 H new ATOM 0 HB3 ASP A 76 12.912 6.227 -8.202 1.00 0.00 H new ATOM 1161 N TRP A 77 11.887 5.909 -5.104 1.00 0.00 N ATOM 1162 CA TRP A 77 10.976 6.777 -4.341 1.00 0.00 C ATOM 1163 C TRP A 77 11.255 6.803 -2.836 1.00 0.00 C ATOM 1164 O TRP A 77 10.858 7.752 -2.161 1.00 0.00 O ATOM 1165 CB TRP A 77 9.522 6.361 -4.583 1.00 0.00 C ATOM 1166 CG TRP A 77 9.218 5.079 -3.855 1.00 0.00 C ATOM 1167 CD1 TRP A 77 9.179 3.840 -4.423 1.00 0.00 C ATOM 1168 CD2 TRP A 77 8.914 4.879 -2.430 1.00 0.00 C ATOM 1169 NE1 TRP A 77 8.857 2.915 -3.455 1.00 0.00 N ATOM 1170 CE2 TRP A 77 8.691 3.495 -2.218 1.00 0.00 C ATOM 1171 CE3 TRP A 77 8.805 5.740 -1.302 1.00 0.00 C ATOM 1172 CZ2 TRP A 77 8.376 2.988 -0.962 1.00 0.00 C ATOM 1173 CZ3 TRP A 77 8.490 5.220 -0.045 1.00 0.00 C ATOM 1174 CH2 TRP A 77 8.276 3.854 0.123 1.00 0.00 C ATOM 0 H TRP A 77 11.579 4.942 -5.204 1.00 0.00 H new ATOM 0 HA TRP A 77 11.153 7.788 -4.708 1.00 0.00 H new ATOM 0 HB2 TRP A 77 8.850 7.149 -4.243 1.00 0.00 H new ATOM 0 HB3 TRP A 77 9.347 6.231 -5.651 1.00 0.00 H new ATOM 0 HD1 TRP A 77 9.370 3.620 -5.463 1.00 0.00 H new ATOM 0 HE1 TRP A 77 8.754 1.916 -3.634 1.00 0.00 H new ATOM 0 HE3 TRP A 77 8.967 6.801 -1.419 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 8.210 1.929 -0.829 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 8.412 5.883 0.804 1.00 0.00 H new ATOM 0 HH2 TRP A 77 8.031 3.465 1.100 1.00 0.00 H new ATOM 1185 N PHE A 78 11.953 5.805 -2.302 1.00 0.00 N ATOM 1186 CA PHE A 78 12.248 5.808 -0.862 1.00 0.00 C ATOM 1187 C PHE A 78 13.531 6.564 -0.568 1.00 0.00 C ATOM 1188 O PHE A 78 14.571 6.328 -1.185 1.00 0.00 O ATOM 1189 CB PHE A 78 12.366 4.380 -0.313 1.00 0.00 C ATOM 1190 CG PHE A 78 12.773 4.427 1.155 1.00 0.00 C ATOM 1191 CD1 PHE A 78 11.963 5.092 2.091 1.00 0.00 C ATOM 1192 CD2 PHE A 78 13.969 3.817 1.581 1.00 0.00 C ATOM 1193 CE1 PHE A 78 12.346 5.146 3.435 1.00 0.00 C ATOM 1194 CE2 PHE A 78 14.343 3.872 2.928 1.00 0.00 C ATOM 1195 CZ PHE A 78 13.533 4.537 3.854 1.00 0.00 C ATOM 0 H PHE A 78 12.317 5.005 -2.820 1.00 0.00 H new ATOM 0 HA PHE A 78 11.416 6.309 -0.368 1.00 0.00 H new ATOM 0 HB2 PHE A 78 11.415 3.859 -0.420 1.00 0.00 H new ATOM 0 HB3 PHE A 78 13.103 3.819 -0.887 1.00 0.00 H new ATOM 0 HD1 PHE A 78 11.044 5.562 1.772 1.00 0.00 H new ATOM 0 HD2 PHE A 78 14.598 3.306 0.867 1.00 0.00 H new ATOM 0 HE1 PHE A 78 11.723 5.660 4.152 1.00 0.00 H new ATOM 0 HE2 PHE A 78 15.258 3.400 3.253 1.00 0.00 H new ATOM 0 HZ PHE A 78 13.824 4.580 4.893 1.00 0.00 H new ATOM 1205 N VAL A 79 13.438 7.480 0.394 1.00 0.00 N ATOM 1206 CA VAL A 79 14.566 8.302 0.819 1.00 0.00 C ATOM 1207 C VAL A 79 14.811 8.055 2.310 1.00 0.00 C ATOM 1208 O VAL A 79 13.852 7.960 3.076 1.00 0.00 O ATOM 1209 CB VAL A 79 14.217 9.784 0.571 1.00 0.00 C ATOM 1210 CG1 VAL A 79 15.494 10.602 0.343 1.00 0.00 C ATOM 1211 CG2 VAL A 79 13.308 9.892 -0.664 1.00 0.00 C ATOM 0 H VAL A 79 12.574 7.673 0.902 1.00 0.00 H new ATOM 0 HA VAL A 79 15.466 8.049 0.259 1.00 0.00 H new ATOM 0 HB VAL A 79 13.700 10.179 1.446 1.00 0.00 H new ATOM 0 HG11 VAL A 79 15.231 11.646 0.169 1.00 0.00 H new ATOM 0 HG12 VAL A 79 16.134 10.530 1.222 1.00 0.00 H new ATOM 0 HG13 VAL A 79 16.026 10.212 -0.525 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.059 10.938 -0.842 1.00 0.00 H new ATOM 0 HG22 VAL A 79 13.827 9.489 -1.534 1.00 0.00 H new ATOM 0 HG23 VAL A 79 12.393 9.326 -0.493 1.00 0.00 H new