USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 602 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 49 LYS NZ :NH3+ 179:sc= -0.106 (180deg=-0.783) USER MOD Set 1.2: A 53 SER OG : rot 63:sc= 1.65 USER MOD Set 2.1: A 24 SER OG : rot 95:sc= 0.941 USER MOD Set 2.2: A 26 THR OG1 : rot -75:sc= 1.52 USER MOD Set 3.1: A 5 THR OG1 : rot -70:sc= 1.25 USER MOD Set 3.2: A 8 GLN : amide:sc= 1.81 K(o=3.1,f=-0.77!) USER MOD Single : A 1 ARG N :NH3+ -178:sc= -0.0428 (180deg=-0.0553) USER MOD Single : A 9 LYS NZ :NH3+ 174:sc= 0.609 (180deg=0.587) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 21 THR OG1 : rot -11:sc= 1.12 USER MOD Single : A 30 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0517) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 MET CE :methyl -169:sc= -0.863 (180deg=-1.39) USER MOD Single : A 44 LYS NZ :NH3+ -153:sc= 1.04 (180deg=0.575) USER MOD Single : A 45 LYS NZ :NH3+ 173:sc=-0.00118 (180deg=-0.0651) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 167:sc= 0 (180deg=-0.289) USER MOD Single : A 57 LYS NZ :NH3+ -169:sc=-0.00142 (180deg=-0.112) USER MOD Single : A 60 SER OG : rot 78:sc= 1.25 USER MOD Single : A 62 THR OG1 : rot 40:sc= 0.48 USER MOD Single : A 70 THR OG1 : rot 75:sc= 1.1 USER MOD Single : A 71 MET CE :methyl 169:sc= -0.0133 (180deg=-0.217) USER MOD Single : A 72 MET CE :methyl -175:sc= 0 (180deg=-0.0289) USER MOD Single : A 73 THR OG1 : rot 73:sc= 1.2 USER MOD Single : A 75 LYS NZ :NH3+ -143:sc= 0.0243 (180deg=-0.705) USER MOD Single : A 76 MET CE :methyl -178:sc= 0 (180deg=-0.00611) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 16.348 16.450 -2.389 1.00 0.00 N ATOM 2 CA ARG A 1 16.744 15.826 -3.669 1.00 0.00 C ATOM 3 C ARG A 1 15.619 14.991 -4.288 1.00 0.00 C ATOM 4 O ARG A 1 15.533 14.879 -5.510 1.00 0.00 O ATOM 5 CB ARG A 1 18.041 15.017 -3.524 1.00 0.00 C ATOM 6 CG ARG A 1 17.911 13.815 -2.573 1.00 0.00 C ATOM 7 CD ARG A 1 19.247 13.080 -2.431 1.00 0.00 C ATOM 8 NE ARG A 1 20.254 13.924 -1.777 1.00 0.00 N ATOM 9 CZ ARG A 1 21.530 13.568 -1.573 1.00 0.00 C ATOM 10 NH1 ARG A 1 21.969 12.368 -1.968 1.00 0.00 N ATOM 11 NH2 ARG A 1 22.364 14.423 -0.972 1.00 0.00 N ATOM 0 H1 ARG A 1 17.132 17.031 -2.029 1.00 0.00 H new ATOM 0 H2 ARG A 1 15.513 17.051 -2.540 1.00 0.00 H new ATOM 0 H3 ARG A 1 16.120 15.708 -1.697 1.00 0.00 H new ATOM 0 HA ARG A 1 16.942 16.640 -4.366 1.00 0.00 H new ATOM 0 HB2 ARG A 1 18.350 14.661 -4.507 1.00 0.00 H new ATOM 0 HB3 ARG A 1 18.831 15.674 -3.161 1.00 0.00 H new ATOM 0 HG2 ARG A 1 17.574 14.156 -1.594 1.00 0.00 H new ATOM 0 HG3 ARG A 1 17.153 13.129 -2.950 1.00 0.00 H new ATOM 0 HD2 ARG A 1 19.103 12.168 -1.852 1.00 0.00 H new ATOM 0 HD3 ARG A 1 19.605 12.779 -3.416 1.00 0.00 H new ATOM 0 HE ARG A 1 19.962 14.847 -1.455 1.00 0.00 H new ATOM 0 HH11 ARG A 1 21.332 11.718 -2.427 1.00 0.00 H new ATOM 0 HH12 ARG A 1 22.941 12.103 -1.810 1.00 0.00 H new ATOM 0 HH21 ARG A 1 22.028 15.338 -0.673 1.00 0.00 H new ATOM 0 HH22 ARG A 1 23.337 14.160 -0.813 1.00 0.00 H new ATOM 25 N VAL A 2 14.752 14.406 -3.456 1.00 0.00 N ATOM 26 CA VAL A 2 13.636 13.591 -3.916 1.00 0.00 C ATOM 27 C VAL A 2 12.548 14.517 -4.476 1.00 0.00 C ATOM 28 O VAL A 2 11.531 14.760 -3.830 1.00 0.00 O ATOM 29 CB VAL A 2 13.134 12.684 -2.773 1.00 0.00 C ATOM 30 CG1 VAL A 2 12.082 11.688 -3.284 1.00 0.00 C ATOM 31 CG2 VAL A 2 14.287 11.879 -2.153 1.00 0.00 C ATOM 0 H VAL A 2 14.809 14.488 -2.441 1.00 0.00 H new ATOM 0 HA VAL A 2 13.947 12.923 -4.719 1.00 0.00 H new ATOM 0 HB VAL A 2 12.695 13.340 -2.021 1.00 0.00 H new ATOM 0 HG11 VAL A 2 11.744 11.060 -2.459 1.00 0.00 H new ATOM 0 HG12 VAL A 2 11.233 12.234 -3.695 1.00 0.00 H new ATOM 0 HG13 VAL A 2 12.521 11.062 -4.060 1.00 0.00 H new ATOM 0 HG21 VAL A 2 13.901 11.250 -1.351 1.00 0.00 H new ATOM 0 HG22 VAL A 2 14.745 11.252 -2.918 1.00 0.00 H new ATOM 0 HG23 VAL A 2 15.033 12.564 -1.750 1.00 0.00 H new ATOM 41 N GLY A 3 12.779 15.058 -5.671 1.00 0.00 N ATOM 42 CA GLY A 3 11.860 15.956 -6.345 1.00 0.00 C ATOM 43 C GLY A 3 12.414 16.290 -7.724 1.00 0.00 C ATOM 44 O GLY A 3 13.365 15.657 -8.179 1.00 0.00 O ATOM 0 H GLY A 3 13.630 14.877 -6.204 1.00 0.00 H new ATOM 0 HA2 GLY A 3 10.878 15.491 -6.436 1.00 0.00 H new ATOM 0 HA3 GLY A 3 11.728 16.867 -5.762 1.00 0.00 H new ATOM 48 N LEU A 4 11.830 17.286 -8.392 1.00 0.00 N ATOM 49 CA LEU A 4 12.320 17.727 -9.688 1.00 0.00 C ATOM 50 C LEU A 4 13.674 18.423 -9.533 1.00 0.00 C ATOM 51 O LEU A 4 13.733 19.560 -9.066 1.00 0.00 O ATOM 52 CB LEU A 4 11.316 18.670 -10.357 1.00 0.00 C ATOM 53 CG LEU A 4 9.916 18.077 -10.568 1.00 0.00 C ATOM 54 CD1 LEU A 4 9.118 19.116 -11.354 1.00 0.00 C ATOM 55 CD2 LEU A 4 9.931 16.749 -11.336 1.00 0.00 C ATOM 0 H LEU A 4 11.017 17.800 -8.052 1.00 0.00 H new ATOM 0 HA LEU A 4 12.443 16.850 -10.323 1.00 0.00 H new ATOM 0 HB2 LEU A 4 11.226 19.571 -9.750 1.00 0.00 H new ATOM 0 HB3 LEU A 4 11.715 18.976 -11.324 1.00 0.00 H new ATOM 0 HG LEU A 4 9.474 17.855 -9.597 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.110 18.742 -11.532 1.00 0.00 H new ATOM 0 HD12 LEU A 4 9.066 20.043 -10.783 1.00 0.00 H new ATOM 0 HD13 LEU A 4 9.608 19.305 -12.309 1.00 0.00 H new ATOM 0 HD21 LEU A 4 8.911 16.384 -11.451 1.00 0.00 H new ATOM 0 HD22 LEU A 4 10.375 16.903 -12.320 1.00 0.00 H new ATOM 0 HD23 LEU A 4 10.519 16.016 -10.784 1.00 0.00 H new ATOM 67 N THR A 5 14.754 17.769 -9.960 1.00 0.00 N ATOM 68 CA THR A 5 16.058 18.411 -10.036 1.00 0.00 C ATOM 69 C THR A 5 16.024 19.538 -11.072 1.00 0.00 C ATOM 70 O THR A 5 15.127 19.598 -11.915 1.00 0.00 O ATOM 71 CB THR A 5 17.123 17.379 -10.432 1.00 0.00 C ATOM 72 OG1 THR A 5 16.784 16.790 -11.675 1.00 0.00 O ATOM 73 CG2 THR A 5 17.288 16.294 -9.363 1.00 0.00 C ATOM 0 H THR A 5 14.747 16.794 -10.258 1.00 0.00 H new ATOM 0 HA THR A 5 16.306 18.828 -9.060 1.00 0.00 H new ATOM 0 HB THR A 5 18.076 17.900 -10.522 1.00 0.00 H new ATOM 0 HG1 THR A 5 15.996 16.218 -11.562 1.00 0.00 H new ATOM 0 HG21 THR A 5 18.051 15.583 -9.681 1.00 0.00 H new ATOM 0 HG22 THR A 5 17.590 16.753 -8.422 1.00 0.00 H new ATOM 0 HG23 THR A 5 16.341 15.772 -9.225 1.00 0.00 H new ATOM 81 N GLU A 6 17.031 20.416 -11.043 1.00 0.00 N ATOM 82 CA GLU A 6 17.223 21.429 -12.071 1.00 0.00 C ATOM 83 C GLU A 6 17.189 20.777 -13.452 1.00 0.00 C ATOM 84 O GLU A 6 16.472 21.243 -14.328 1.00 0.00 O ATOM 85 CB GLU A 6 18.533 22.195 -11.833 1.00 0.00 C ATOM 86 CG GLU A 6 18.404 23.245 -10.716 1.00 0.00 C ATOM 87 CD GLU A 6 17.976 22.663 -9.371 1.00 0.00 C ATOM 88 OE1 GLU A 6 18.536 21.607 -9.004 1.00 0.00 O ATOM 89 OE2 GLU A 6 17.078 23.270 -8.747 1.00 0.00 O ATOM 0 H GLU A 6 17.733 20.440 -10.304 1.00 0.00 H new ATOM 0 HA GLU A 6 16.411 22.154 -12.021 1.00 0.00 H new ATOM 0 HB2 GLU A 6 19.322 21.489 -11.575 1.00 0.00 H new ATOM 0 HB3 GLU A 6 18.836 22.687 -12.757 1.00 0.00 H new ATOM 0 HG2 GLU A 6 19.361 23.752 -10.594 1.00 0.00 H new ATOM 0 HG3 GLU A 6 17.680 24.000 -11.022 1.00 0.00 H new ATOM 96 N GLU A 7 17.914 19.672 -13.626 1.00 0.00 N ATOM 97 CA GLU A 7 17.924 18.909 -14.864 1.00 0.00 C ATOM 98 C GLU A 7 16.493 18.583 -15.311 1.00 0.00 C ATOM 99 O GLU A 7 16.108 18.869 -16.445 1.00 0.00 O ATOM 100 CB GLU A 7 18.753 17.624 -14.698 1.00 0.00 C ATOM 101 CG GLU A 7 20.177 17.867 -14.169 1.00 0.00 C ATOM 102 CD GLU A 7 20.254 17.800 -12.645 1.00 0.00 C ATOM 103 OE1 GLU A 7 19.992 18.847 -12.012 1.00 0.00 O ATOM 104 OE2 GLU A 7 20.543 16.696 -12.136 1.00 0.00 O ATOM 0 H GLU A 7 18.516 19.281 -12.901 1.00 0.00 H new ATOM 0 HA GLU A 7 18.389 19.517 -15.640 1.00 0.00 H new ATOM 0 HB2 GLU A 7 18.232 16.952 -14.016 1.00 0.00 H new ATOM 0 HB3 GLU A 7 18.815 17.116 -15.660 1.00 0.00 H new ATOM 0 HG2 GLU A 7 20.852 17.125 -14.597 1.00 0.00 H new ATOM 0 HG3 GLU A 7 20.524 18.844 -14.505 1.00 0.00 H new ATOM 111 N GLN A 8 15.692 18.001 -14.414 1.00 0.00 N ATOM 112 CA GLN A 8 14.295 17.718 -14.722 1.00 0.00 C ATOM 113 C GLN A 8 13.559 19.001 -15.114 1.00 0.00 C ATOM 114 O GLN A 8 12.876 19.018 -16.132 1.00 0.00 O ATOM 115 CB GLN A 8 13.610 17.011 -13.548 1.00 0.00 C ATOM 116 CG GLN A 8 14.113 15.571 -13.402 1.00 0.00 C ATOM 117 CD GLN A 8 13.811 15.039 -12.010 1.00 0.00 C ATOM 118 OE1 GLN A 8 14.653 15.136 -11.124 1.00 0.00 O ATOM 119 NE2 GLN A 8 12.609 14.525 -11.777 1.00 0.00 N ATOM 0 H GLN A 8 15.987 17.720 -13.479 1.00 0.00 H new ATOM 0 HA GLN A 8 14.260 17.042 -15.576 1.00 0.00 H new ATOM 0 HB2 GLN A 8 13.801 17.561 -12.627 1.00 0.00 H new ATOM 0 HB3 GLN A 8 12.531 17.009 -13.700 1.00 0.00 H new ATOM 0 HG2 GLN A 8 13.639 14.936 -14.151 1.00 0.00 H new ATOM 0 HG3 GLN A 8 15.187 15.534 -13.587 1.00 0.00 H new ATOM 0 HE21 GLN A 8 11.928 14.457 -12.533 1.00 0.00 H new ATOM 0 HE22 GLN A 8 12.367 14.199 -10.842 1.00 0.00 H new ATOM 128 N LYS A 9 13.693 20.078 -14.336 1.00 0.00 N ATOM 129 CA LYS A 9 13.028 21.341 -14.647 1.00 0.00 C ATOM 130 C LYS A 9 13.439 21.875 -16.030 1.00 0.00 C ATOM 131 O LYS A 9 12.588 22.348 -16.783 1.00 0.00 O ATOM 132 CB LYS A 9 13.245 22.357 -13.515 1.00 0.00 C ATOM 133 CG LYS A 9 12.527 21.883 -12.240 1.00 0.00 C ATOM 134 CD LYS A 9 12.640 22.864 -11.065 1.00 0.00 C ATOM 135 CE LYS A 9 14.083 22.967 -10.560 1.00 0.00 C ATOM 136 NZ LYS A 9 14.170 23.678 -9.272 1.00 0.00 N ATOM 0 H LYS A 9 14.257 20.098 -13.486 1.00 0.00 H new ATOM 0 HA LYS A 9 11.955 21.162 -14.710 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.311 22.475 -13.320 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.866 23.334 -13.814 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.473 21.721 -12.466 1.00 0.00 H new ATOM 0 HG3 LYS A 9 12.939 20.920 -11.938 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.291 23.849 -11.376 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.991 22.537 -10.253 1.00 0.00 H new ATOM 0 HE2 LYS A 9 14.500 21.966 -10.450 1.00 0.00 H new ATOM 0 HE3 LYS A 9 14.690 23.486 -11.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 15.147 23.636 -8.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.892 24.671 -9.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.533 23.229 -8.584 1.00 0.00 H new ATOM 150 N GLN A 10 14.720 21.768 -16.392 1.00 0.00 N ATOM 151 CA GLN A 10 15.215 22.125 -17.717 1.00 0.00 C ATOM 152 C GLN A 10 14.486 21.301 -18.784 1.00 0.00 C ATOM 153 O GLN A 10 13.931 21.865 -19.726 1.00 0.00 O ATOM 154 CB GLN A 10 16.738 21.923 -17.801 1.00 0.00 C ATOM 155 CG GLN A 10 17.512 22.913 -16.918 1.00 0.00 C ATOM 156 CD GLN A 10 18.967 22.494 -16.728 1.00 0.00 C ATOM 157 OE1 GLN A 10 19.405 22.229 -15.613 1.00 0.00 O ATOM 158 NE2 GLN A 10 19.735 22.425 -17.813 1.00 0.00 N ATOM 0 H GLN A 10 15.448 21.427 -15.764 1.00 0.00 H new ATOM 0 HA GLN A 10 15.013 23.181 -17.899 1.00 0.00 H new ATOM 0 HB2 GLN A 10 16.983 20.904 -17.500 1.00 0.00 H new ATOM 0 HB3 GLN A 10 17.060 22.036 -18.836 1.00 0.00 H new ATOM 0 HG2 GLN A 10 17.476 23.905 -17.369 1.00 0.00 H new ATOM 0 HG3 GLN A 10 17.026 22.987 -15.945 1.00 0.00 H new ATOM 0 HE21 GLN A 10 19.346 22.651 -18.728 1.00 0.00 H new ATOM 0 HE22 GLN A 10 20.713 22.146 -17.729 1.00 0.00 H new ATOM 167 N GLU A 11 14.467 19.973 -18.638 1.00 0.00 N ATOM 168 CA GLU A 11 13.782 19.102 -19.589 1.00 0.00 C ATOM 169 C GLU A 11 12.291 19.454 -19.696 1.00 0.00 C ATOM 170 O GLU A 11 11.754 19.566 -20.796 1.00 0.00 O ATOM 171 CB GLU A 11 13.986 17.630 -19.205 1.00 0.00 C ATOM 172 CG GLU A 11 15.453 17.190 -19.330 1.00 0.00 C ATOM 173 CD GLU A 11 15.949 17.243 -20.773 1.00 0.00 C ATOM 174 OE1 GLU A 11 15.568 16.328 -21.533 1.00 0.00 O ATOM 175 OE2 GLU A 11 16.684 18.202 -21.091 1.00 0.00 O ATOM 0 H GLU A 11 14.920 19.480 -17.868 1.00 0.00 H new ATOM 0 HA GLU A 11 14.219 19.260 -20.575 1.00 0.00 H new ATOM 0 HB2 GLU A 11 13.649 17.475 -18.180 1.00 0.00 H new ATOM 0 HB3 GLU A 11 13.365 17.001 -19.843 1.00 0.00 H new ATOM 0 HG2 GLU A 11 16.078 17.832 -18.709 1.00 0.00 H new ATOM 0 HG3 GLU A 11 15.560 16.175 -18.948 1.00 0.00 H new ATOM 182 N ILE A 12 11.625 19.647 -18.557 1.00 0.00 N ATOM 183 CA ILE A 12 10.229 20.063 -18.496 1.00 0.00 C ATOM 184 C ILE A 12 10.050 21.375 -19.265 1.00 0.00 C ATOM 185 O ILE A 12 9.123 21.490 -20.066 1.00 0.00 O ATOM 186 CB ILE A 12 9.778 20.144 -17.022 1.00 0.00 C ATOM 187 CG1 ILE A 12 9.712 18.716 -16.443 1.00 0.00 C ATOM 188 CG2 ILE A 12 8.412 20.821 -16.845 1.00 0.00 C ATOM 189 CD1 ILE A 12 9.659 18.691 -14.916 1.00 0.00 C ATOM 0 H ILE A 12 12.049 19.516 -17.639 1.00 0.00 H new ATOM 0 HA ILE A 12 9.584 19.329 -18.979 1.00 0.00 H new ATOM 0 HB ILE A 12 10.508 20.756 -16.493 1.00 0.00 H new ATOM 0 HG12 ILE A 12 8.832 18.210 -16.840 1.00 0.00 H new ATOM 0 HG13 ILE A 12 10.582 18.153 -16.780 1.00 0.00 H new ATOM 0 HG21 ILE A 12 8.153 20.846 -15.787 1.00 0.00 H new ATOM 0 HG22 ILE A 12 8.458 21.839 -17.232 1.00 0.00 H new ATOM 0 HG23 ILE A 12 7.654 20.259 -17.391 1.00 0.00 H new ATOM 0 HD11 ILE A 12 9.614 17.658 -14.570 1.00 0.00 H new ATOM 0 HD12 ILE A 12 10.552 19.170 -14.513 1.00 0.00 H new ATOM 0 HD13 ILE A 12 8.774 19.227 -14.574 1.00 0.00 H new ATOM 201 N ARG A 13 10.927 22.360 -19.053 1.00 0.00 N ATOM 202 CA ARG A 13 10.861 23.614 -19.792 1.00 0.00 C ATOM 203 C ARG A 13 11.048 23.377 -21.294 1.00 0.00 C ATOM 204 O ARG A 13 10.302 23.935 -22.093 1.00 0.00 O ATOM 205 CB ARG A 13 11.856 24.638 -19.228 1.00 0.00 C ATOM 206 CG ARG A 13 11.845 25.978 -19.985 1.00 0.00 C ATOM 207 CD ARG A 13 10.491 26.696 -19.909 1.00 0.00 C ATOM 208 NE ARG A 13 10.497 27.927 -20.706 1.00 0.00 N ATOM 209 CZ ARG A 13 9.453 28.763 -20.805 1.00 0.00 C ATOM 210 NH1 ARG A 13 8.349 28.552 -20.079 1.00 0.00 N ATOM 211 NH2 ARG A 13 9.521 29.808 -21.634 1.00 0.00 N ATOM 0 H ARG A 13 11.688 22.309 -18.376 1.00 0.00 H new ATOM 0 HA ARG A 13 9.866 24.039 -19.663 1.00 0.00 H new ATOM 0 HB2 ARG A 13 11.624 24.820 -18.179 1.00 0.00 H new ATOM 0 HB3 ARG A 13 12.860 24.216 -19.264 1.00 0.00 H new ATOM 0 HG2 ARG A 13 12.618 26.627 -19.575 1.00 0.00 H new ATOM 0 HG3 ARG A 13 12.099 25.801 -21.030 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.704 26.032 -20.267 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.260 26.933 -18.870 1.00 0.00 H new ATOM 0 HE ARG A 13 11.348 28.162 -21.217 1.00 0.00 H new ATOM 0 HH11 ARG A 13 8.299 27.753 -19.447 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.557 29.190 -20.157 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.363 29.966 -22.187 1.00 0.00 H new ATOM 0 HH22 ARG A 13 8.731 30.448 -21.714 1.00 0.00 H new ATOM 225 N GLU A 14 12.024 22.558 -21.692 1.00 0.00 N ATOM 226 CA GLU A 14 12.259 22.223 -23.088 1.00 0.00 C ATOM 227 C GLU A 14 10.984 21.642 -23.713 1.00 0.00 C ATOM 228 O GLU A 14 10.484 22.152 -24.717 1.00 0.00 O ATOM 229 CB GLU A 14 13.457 21.264 -23.169 1.00 0.00 C ATOM 230 CG GLU A 14 14.071 21.193 -24.571 1.00 0.00 C ATOM 231 CD GLU A 14 13.175 20.508 -25.602 1.00 0.00 C ATOM 232 OE1 GLU A 14 12.622 19.441 -25.257 1.00 0.00 O ATOM 233 OE2 GLU A 14 13.065 21.060 -26.718 1.00 0.00 O ATOM 0 H GLU A 14 12.674 22.109 -21.047 1.00 0.00 H new ATOM 0 HA GLU A 14 12.505 23.115 -23.665 1.00 0.00 H new ATOM 0 HB2 GLU A 14 14.220 21.584 -22.459 1.00 0.00 H new ATOM 0 HB3 GLU A 14 13.138 20.266 -22.867 1.00 0.00 H new ATOM 0 HG2 GLU A 14 14.294 22.204 -24.912 1.00 0.00 H new ATOM 0 HG3 GLU A 14 15.020 20.659 -24.516 1.00 0.00 H new ATOM 240 N ALA A 15 10.445 20.586 -23.098 1.00 0.00 N ATOM 241 CA ALA A 15 9.214 19.952 -23.549 1.00 0.00 C ATOM 242 C ALA A 15 8.095 20.989 -23.643 1.00 0.00 C ATOM 243 O ALA A 15 7.419 21.095 -24.666 1.00 0.00 O ATOM 244 CB ALA A 15 8.844 18.813 -22.594 1.00 0.00 C ATOM 0 H ALA A 15 10.855 20.149 -22.272 1.00 0.00 H new ATOM 0 HA ALA A 15 9.360 19.530 -24.543 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.923 18.339 -22.932 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.647 18.076 -22.579 1.00 0.00 H new ATOM 0 HB3 ALA A 15 8.699 19.212 -21.590 1.00 0.00 H new ATOM 250 N PHE A 16 7.922 21.776 -22.578 1.00 0.00 N ATOM 251 CA PHE A 16 6.935 22.840 -22.536 1.00 0.00 C ATOM 252 C PHE A 16 7.074 23.754 -23.750 1.00 0.00 C ATOM 253 O PHE A 16 6.096 23.997 -24.447 1.00 0.00 O ATOM 254 CB PHE A 16 7.043 23.643 -21.236 1.00 0.00 C ATOM 255 CG PHE A 16 5.981 24.714 -21.116 1.00 0.00 C ATOM 256 CD1 PHE A 16 4.710 24.373 -20.626 1.00 0.00 C ATOM 257 CD2 PHE A 16 6.215 26.012 -21.609 1.00 0.00 C ATOM 258 CE1 PHE A 16 3.687 25.330 -20.580 1.00 0.00 C ATOM 259 CE2 PHE A 16 5.176 26.958 -21.610 1.00 0.00 C ATOM 260 CZ PHE A 16 3.919 26.622 -21.075 1.00 0.00 C ATOM 0 H PHE A 16 8.468 21.687 -21.721 1.00 0.00 H new ATOM 0 HA PHE A 16 5.947 22.381 -22.564 1.00 0.00 H new ATOM 0 HB2 PHE A 16 6.964 22.963 -20.387 1.00 0.00 H new ATOM 0 HB3 PHE A 16 8.028 24.107 -21.182 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.520 23.367 -20.282 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.191 26.280 -21.986 1.00 0.00 H new ATOM 0 HE1 PHE A 16 2.723 25.074 -20.165 1.00 0.00 H new ATOM 0 HE2 PHE A 16 5.342 27.943 -22.021 1.00 0.00 H new ATOM 0 HZ PHE A 16 3.131 27.360 -21.045 1.00 0.00 H new ATOM 270 N ASP A 17 8.283 24.261 -23.995 1.00 0.00 N ATOM 271 CA ASP A 17 8.578 25.142 -25.113 1.00 0.00 C ATOM 272 C ASP A 17 8.194 24.480 -26.435 1.00 0.00 C ATOM 273 O ASP A 17 7.506 25.095 -27.244 1.00 0.00 O ATOM 274 CB ASP A 17 10.058 25.540 -25.092 1.00 0.00 C ATOM 275 CG ASP A 17 10.392 26.464 -26.258 1.00 0.00 C ATOM 276 OD1 ASP A 17 10.125 27.677 -26.114 1.00 0.00 O ATOM 277 OD2 ASP A 17 10.906 25.940 -27.270 1.00 0.00 O ATOM 0 H ASP A 17 9.095 24.064 -23.409 1.00 0.00 H new ATOM 0 HA ASP A 17 7.983 26.050 -25.017 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.291 26.038 -24.151 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.679 24.646 -25.142 1.00 0.00 H new ATOM 282 N LEU A 18 8.620 23.229 -26.647 1.00 0.00 N ATOM 283 CA LEU A 18 8.266 22.479 -27.848 1.00 0.00 C ATOM 284 C LEU A 18 6.747 22.471 -28.030 1.00 0.00 C ATOM 285 O LEU A 18 6.243 22.829 -29.093 1.00 0.00 O ATOM 286 CB LEU A 18 8.802 21.040 -27.772 1.00 0.00 C ATOM 287 CG LEU A 18 8.579 20.285 -29.098 1.00 0.00 C ATOM 288 CD1 LEU A 18 9.797 20.437 -30.013 1.00 0.00 C ATOM 289 CD2 LEU A 18 8.281 18.804 -28.841 1.00 0.00 C ATOM 0 H LEU A 18 9.214 22.716 -25.995 1.00 0.00 H new ATOM 0 HA LEU A 18 8.725 22.967 -28.708 1.00 0.00 H new ATOM 0 HB2 LEU A 18 9.866 21.059 -27.537 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.306 20.508 -26.961 1.00 0.00 H new ATOM 0 HG LEU A 18 7.714 20.723 -29.597 1.00 0.00 H new ATOM 0 HD11 LEU A 18 9.622 19.898 -30.944 1.00 0.00 H new ATOM 0 HD12 LEU A 18 9.960 21.493 -30.230 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.678 20.029 -29.517 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.128 18.293 -29.792 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.121 18.349 -28.317 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.382 18.714 -28.232 1.00 0.00 H new ATOM 301 N PHE A 19 6.017 22.027 -27.005 1.00 0.00 N ATOM 302 CA PHE A 19 4.568 21.919 -27.083 1.00 0.00 C ATOM 303 C PHE A 19 3.930 23.290 -27.320 1.00 0.00 C ATOM 304 O PHE A 19 3.018 23.419 -28.134 1.00 0.00 O ATOM 305 CB PHE A 19 4.022 21.267 -25.805 1.00 0.00 C ATOM 306 CG PHE A 19 4.579 19.895 -25.450 1.00 0.00 C ATOM 307 CD1 PHE A 19 4.903 18.957 -26.451 1.00 0.00 C ATOM 308 CD2 PHE A 19 4.679 19.521 -24.096 1.00 0.00 C ATOM 309 CE1 PHE A 19 5.360 17.675 -26.101 1.00 0.00 C ATOM 310 CE2 PHE A 19 5.101 18.227 -23.748 1.00 0.00 C ATOM 311 CZ PHE A 19 5.464 17.310 -24.748 1.00 0.00 C ATOM 0 H PHE A 19 6.412 21.737 -26.110 1.00 0.00 H new ATOM 0 HA PHE A 19 4.309 21.286 -27.932 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.215 21.940 -24.970 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.940 21.181 -25.902 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.800 19.225 -27.492 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.430 20.232 -23.322 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.632 16.970 -26.873 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.146 17.937 -22.709 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.822 16.327 -24.478 1.00 0.00 H new ATOM 321 N ASP A 20 4.409 24.317 -26.617 1.00 0.00 N ATOM 322 CA ASP A 20 3.965 25.695 -26.757 1.00 0.00 C ATOM 323 C ASP A 20 4.538 26.289 -28.045 1.00 0.00 C ATOM 324 O ASP A 20 5.268 27.278 -28.017 1.00 0.00 O ATOM 325 CB ASP A 20 4.375 26.500 -25.513 1.00 0.00 C ATOM 326 CG ASP A 20 3.849 27.936 -25.516 1.00 0.00 C ATOM 327 OD1 ASP A 20 3.071 28.284 -26.430 1.00 0.00 O ATOM 328 OD2 ASP A 20 4.245 28.681 -24.592 1.00 0.00 O ATOM 0 H ASP A 20 5.139 24.204 -25.914 1.00 0.00 H new ATOM 0 HA ASP A 20 2.878 25.736 -26.830 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.009 25.989 -24.622 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.463 26.520 -25.445 1.00 0.00 H new ATOM 333 N THR A 21 4.157 25.717 -29.187 1.00 0.00 N ATOM 334 CA THR A 21 4.496 26.225 -30.507 1.00 0.00 C ATOM 335 C THR A 21 4.080 27.694 -30.659 1.00 0.00 C ATOM 336 O THR A 21 4.759 28.461 -31.337 1.00 0.00 O ATOM 337 CB THR A 21 3.860 25.332 -31.584 1.00 0.00 C ATOM 338 OG1 THR A 21 2.452 25.276 -31.454 1.00 0.00 O ATOM 339 CG2 THR A 21 4.410 23.903 -31.526 1.00 0.00 C ATOM 0 H THR A 21 3.591 24.869 -29.216 1.00 0.00 H new ATOM 0 HA THR A 21 5.578 26.193 -30.634 1.00 0.00 H new ATOM 0 HB THR A 21 4.116 25.783 -32.542 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.186 25.679 -30.601 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.938 23.300 -32.302 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.488 23.921 -31.686 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.196 23.470 -30.549 1.00 0.00 H new ATOM 347 N ASP A 22 2.978 28.093 -30.009 1.00 0.00 N ATOM 348 CA ASP A 22 2.516 29.478 -29.996 1.00 0.00 C ATOM 349 C ASP A 22 3.514 30.417 -29.305 1.00 0.00 C ATOM 350 O ASP A 22 3.472 31.624 -29.532 1.00 0.00 O ATOM 351 CB ASP A 22 1.147 29.566 -29.302 1.00 0.00 C ATOM 352 CG ASP A 22 0.027 28.904 -30.098 1.00 0.00 C ATOM 353 OD1 ASP A 22 -0.071 29.206 -31.308 1.00 0.00 O ATOM 354 OD2 ASP A 22 -0.728 28.123 -29.482 1.00 0.00 O ATOM 0 H ASP A 22 2.383 27.458 -29.477 1.00 0.00 H new ATOM 0 HA ASP A 22 2.427 29.803 -31.033 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.213 29.096 -28.321 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.897 30.614 -29.137 1.00 0.00 H new ATOM 359 N GLY A 23 4.384 29.889 -28.440 1.00 0.00 N ATOM 360 CA GLY A 23 5.349 30.668 -27.681 1.00 0.00 C ATOM 361 C GLY A 23 4.672 31.657 -26.732 1.00 0.00 C ATOM 362 O GLY A 23 5.244 32.694 -26.409 1.00 0.00 O ATOM 0 H GLY A 23 4.433 28.888 -28.248 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.987 29.995 -27.108 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.996 31.212 -28.369 1.00 0.00 H new ATOM 366 N SER A 24 3.464 31.342 -26.257 1.00 0.00 N ATOM 367 CA SER A 24 2.642 32.239 -25.469 1.00 0.00 C ATOM 368 C SER A 24 2.861 32.069 -23.962 1.00 0.00 C ATOM 369 O SER A 24 2.080 32.571 -23.155 1.00 0.00 O ATOM 370 CB SER A 24 1.217 31.898 -25.880 1.00 0.00 C ATOM 371 OG SER A 24 1.029 30.494 -25.883 1.00 0.00 O ATOM 0 H SER A 24 3.028 30.434 -26.418 1.00 0.00 H new ATOM 0 HA SER A 24 2.890 33.284 -25.655 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.511 32.365 -25.193 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.011 32.302 -26.871 1.00 0.00 H new ATOM 0 HG SER A 24 0.641 30.214 -25.028 1.00 0.00 H new ATOM 377 N GLY A 25 3.873 31.291 -23.580 1.00 0.00 N ATOM 378 CA GLY A 25 4.133 30.906 -22.196 1.00 0.00 C ATOM 379 C GLY A 25 3.010 30.028 -21.636 1.00 0.00 C ATOM 380 O GLY A 25 2.901 29.843 -20.422 1.00 0.00 O ATOM 0 H GLY A 25 4.548 30.903 -24.239 1.00 0.00 H new ATOM 0 HA2 GLY A 25 5.079 30.368 -22.139 1.00 0.00 H new ATOM 0 HA3 GLY A 25 4.237 31.801 -21.582 1.00 0.00 H new ATOM 384 N THR A 26 2.186 29.471 -22.527 1.00 0.00 N ATOM 385 CA THR A 26 0.946 28.784 -22.230 1.00 0.00 C ATOM 386 C THR A 26 0.760 27.695 -23.283 1.00 0.00 C ATOM 387 O THR A 26 0.706 28.004 -24.468 1.00 0.00 O ATOM 388 CB THR A 26 -0.214 29.790 -22.297 1.00 0.00 C ATOM 389 OG1 THR A 26 0.007 30.745 -23.316 1.00 0.00 O ATOM 390 CG2 THR A 26 -0.419 30.530 -20.972 1.00 0.00 C ATOM 0 H THR A 26 2.385 29.494 -23.527 1.00 0.00 H new ATOM 0 HA THR A 26 0.968 28.343 -21.233 1.00 0.00 H new ATOM 0 HB THR A 26 -1.110 29.209 -22.514 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.684 31.389 -23.020 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.249 31.229 -21.070 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.642 29.810 -20.184 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.488 31.078 -20.717 1.00 0.00 H new ATOM 398 N ILE A 27 0.649 26.432 -22.869 1.00 0.00 N ATOM 399 CA ILE A 27 0.250 25.367 -23.777 1.00 0.00 C ATOM 400 C ILE A 27 -1.271 25.450 -23.889 1.00 0.00 C ATOM 401 O ILE A 27 -1.970 25.150 -22.921 1.00 0.00 O ATOM 402 CB ILE A 27 0.720 24.004 -23.250 1.00 0.00 C ATOM 403 CG1 ILE A 27 2.244 23.912 -23.372 1.00 0.00 C ATOM 404 CG2 ILE A 27 0.106 22.843 -24.042 1.00 0.00 C ATOM 405 CD1 ILE A 27 2.769 22.666 -22.664 1.00 0.00 C ATOM 0 H ILE A 27 0.830 26.127 -21.913 1.00 0.00 H new ATOM 0 HA ILE A 27 0.707 25.479 -24.760 1.00 0.00 H new ATOM 0 HB ILE A 27 0.401 23.926 -22.211 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.528 23.885 -24.424 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.702 24.802 -22.940 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.464 21.897 -23.637 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.980 22.883 -23.963 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.397 22.923 -25.089 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.854 22.621 -22.763 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.503 22.708 -21.608 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.326 21.778 -23.114 1.00 0.00 H new ATOM 417 N ASP A 28 -1.794 25.856 -25.047 1.00 0.00 N ATOM 418 CA ASP A 28 -3.229 25.789 -25.299 1.00 0.00 C ATOM 419 C ASP A 28 -3.684 24.325 -25.261 1.00 0.00 C ATOM 420 O ASP A 28 -2.922 23.441 -25.644 1.00 0.00 O ATOM 421 CB ASP A 28 -3.546 26.428 -26.658 1.00 0.00 C ATOM 422 CG ASP A 28 -5.038 26.357 -26.977 1.00 0.00 C ATOM 423 OD1 ASP A 28 -5.449 25.311 -27.526 1.00 0.00 O ATOM 424 OD2 ASP A 28 -5.742 27.337 -26.651 1.00 0.00 O ATOM 0 H ASP A 28 -1.246 26.233 -25.820 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.767 26.341 -24.528 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -3.223 27.469 -26.656 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -2.981 25.921 -27.440 1.00 0.00 H new ATOM 429 N ALA A 29 -4.924 24.065 -24.837 1.00 0.00 N ATOM 430 CA ALA A 29 -5.536 22.738 -24.829 1.00 0.00 C ATOM 431 C ALA A 29 -5.182 21.905 -26.069 1.00 0.00 C ATOM 432 O ALA A 29 -4.810 20.740 -25.946 1.00 0.00 O ATOM 433 CB ALA A 29 -7.053 22.888 -24.695 1.00 0.00 C ATOM 0 H ALA A 29 -5.544 24.792 -24.481 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.134 22.193 -23.975 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.517 21.902 -24.688 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.287 23.405 -23.764 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.437 23.464 -25.537 1.00 0.00 H new ATOM 439 N LYS A 30 -5.270 22.500 -27.263 1.00 0.00 N ATOM 440 CA LYS A 30 -4.919 21.827 -28.510 1.00 0.00 C ATOM 441 C LYS A 30 -3.456 21.364 -28.490 1.00 0.00 C ATOM 442 O LYS A 30 -3.149 20.215 -28.808 1.00 0.00 O ATOM 443 CB LYS A 30 -5.172 22.768 -29.696 1.00 0.00 C ATOM 444 CG LYS A 30 -6.653 23.152 -29.822 1.00 0.00 C ATOM 445 CD LYS A 30 -6.840 24.126 -30.993 1.00 0.00 C ATOM 446 CE LYS A 30 -8.309 24.524 -31.182 1.00 0.00 C ATOM 447 NZ LYS A 30 -8.829 25.285 -30.032 1.00 0.00 N ATOM 0 H LYS A 30 -5.587 23.461 -27.388 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.547 20.942 -28.618 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -4.573 23.671 -29.576 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -4.843 22.287 -30.617 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.257 22.259 -29.980 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -6.999 23.611 -28.896 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.242 25.020 -30.819 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.468 23.667 -31.909 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.408 25.123 -32.087 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.912 23.627 -31.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -9.784 25.635 -30.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -8.869 24.667 -29.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.201 26.091 -29.836 1.00 0.00 H new ATOM 461 N GLU A 31 -2.545 22.257 -28.098 1.00 0.00 N ATOM 462 CA GLU A 31 -1.134 21.933 -27.978 1.00 0.00 C ATOM 463 C GLU A 31 -0.938 20.828 -26.932 1.00 0.00 C ATOM 464 O GLU A 31 -0.132 19.922 -27.131 1.00 0.00 O ATOM 465 CB GLU A 31 -0.333 23.194 -27.629 1.00 0.00 C ATOM 466 CG GLU A 31 -0.351 24.251 -28.743 1.00 0.00 C ATOM 467 CD GLU A 31 0.387 25.518 -28.313 1.00 0.00 C ATOM 468 OE1 GLU A 31 0.000 26.057 -27.252 1.00 0.00 O ATOM 469 OE2 GLU A 31 1.323 25.921 -29.041 1.00 0.00 O ATOM 0 H GLU A 31 -2.771 23.222 -27.857 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.763 21.558 -28.932 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.736 23.631 -26.716 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.699 22.914 -27.419 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.112 23.844 -29.642 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.382 24.496 -28.999 1.00 0.00 H new ATOM 476 N LEU A 32 -1.680 20.875 -25.819 1.00 0.00 N ATOM 477 CA LEU A 32 -1.596 19.819 -24.814 1.00 0.00 C ATOM 478 C LEU A 32 -2.068 18.485 -25.401 1.00 0.00 C ATOM 479 O LEU A 32 -1.447 17.454 -25.165 1.00 0.00 O ATOM 480 CB LEU A 32 -2.378 20.171 -23.537 1.00 0.00 C ATOM 481 CG LEU A 32 -1.841 19.404 -22.310 1.00 0.00 C ATOM 482 CD1 LEU A 32 -0.534 19.992 -21.760 1.00 0.00 C ATOM 483 CD2 LEU A 32 -2.904 19.413 -21.208 1.00 0.00 C ATOM 0 H LEU A 32 -2.336 21.624 -25.597 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.549 19.722 -24.525 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.312 21.243 -23.354 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.433 19.937 -23.680 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.622 18.387 -22.635 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.207 19.410 -20.899 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.234 19.958 -22.533 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.699 21.026 -21.457 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.531 18.873 -20.338 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.128 20.442 -20.927 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.811 18.931 -21.573 1.00 0.00 H new ATOM 495 N LYS A 33 -3.158 18.486 -26.170 1.00 0.00 N ATOM 496 CA LYS A 33 -3.629 17.293 -26.859 1.00 0.00 C ATOM 497 C LYS A 33 -2.533 16.748 -27.781 1.00 0.00 C ATOM 498 O LYS A 33 -2.230 15.556 -27.736 1.00 0.00 O ATOM 499 CB LYS A 33 -4.948 17.596 -27.579 1.00 0.00 C ATOM 500 CG LYS A 33 -5.554 16.350 -28.239 1.00 0.00 C ATOM 501 CD LYS A 33 -6.883 16.712 -28.912 1.00 0.00 C ATOM 502 CE LYS A 33 -7.478 15.491 -29.619 1.00 0.00 C ATOM 503 NZ LYS A 33 -8.750 15.822 -30.284 1.00 0.00 N ATOM 0 H LYS A 33 -3.734 19.312 -26.330 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.843 16.500 -26.142 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.661 18.009 -26.866 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.777 18.359 -28.338 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.861 15.945 -28.976 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.714 15.573 -27.491 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.585 17.085 -28.166 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.726 17.515 -29.632 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.768 15.113 -30.355 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.641 14.693 -28.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -9.127 14.974 -30.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.434 16.159 -29.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.588 16.567 -30.992 1.00 0.00 H new ATOM 517 N VAL A 34 -1.907 17.609 -28.592 1.00 0.00 N ATOM 518 CA VAL A 34 -0.756 17.210 -29.402 1.00 0.00 C ATOM 519 C VAL A 34 0.331 16.584 -28.521 1.00 0.00 C ATOM 520 O VAL A 34 0.827 15.502 -28.828 1.00 0.00 O ATOM 521 CB VAL A 34 -0.225 18.404 -30.221 1.00 0.00 C ATOM 522 CG1 VAL A 34 1.146 18.117 -30.854 1.00 0.00 C ATOM 523 CG2 VAL A 34 -1.221 18.763 -31.331 1.00 0.00 C ATOM 0 H VAL A 34 -2.180 18.586 -28.703 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.074 16.449 -30.114 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.108 19.237 -29.528 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.475 18.989 -31.420 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.870 17.899 -30.069 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.066 17.260 -31.523 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.838 19.607 -31.904 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.354 17.906 -31.992 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.180 19.031 -30.887 1.00 0.00 H new ATOM 533 N ALA A 35 0.700 17.245 -27.420 1.00 0.00 N ATOM 534 CA ALA A 35 1.686 16.724 -26.484 1.00 0.00 C ATOM 535 C ALA A 35 1.301 15.319 -26.021 1.00 0.00 C ATOM 536 O ALA A 35 2.109 14.399 -26.062 1.00 0.00 O ATOM 537 CB ALA A 35 1.839 17.672 -25.291 1.00 0.00 C ATOM 0 H ALA A 35 0.321 18.155 -27.158 1.00 0.00 H new ATOM 0 HA ALA A 35 2.648 16.657 -26.993 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.579 17.270 -24.599 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.165 18.650 -25.643 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.881 17.771 -24.780 1.00 0.00 H new ATOM 543 N MET A 36 0.052 15.139 -25.600 1.00 0.00 N ATOM 544 CA MET A 36 -0.458 13.854 -25.160 1.00 0.00 C ATOM 545 C MET A 36 -0.397 12.815 -26.283 1.00 0.00 C ATOM 546 O MET A 36 -0.011 11.673 -26.039 1.00 0.00 O ATOM 547 CB MET A 36 -1.835 14.043 -24.516 1.00 0.00 C ATOM 548 CG MET A 36 -1.636 14.667 -23.126 1.00 0.00 C ATOM 549 SD MET A 36 -3.124 14.909 -22.131 1.00 0.00 S ATOM 550 CE MET A 36 -3.922 16.195 -23.106 1.00 0.00 C ATOM 0 H MET A 36 -0.636 15.890 -25.556 1.00 0.00 H new ATOM 0 HA MET A 36 0.182 13.437 -24.383 1.00 0.00 H new ATOM 0 HB2 MET A 36 -2.459 14.687 -25.136 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.350 13.086 -24.432 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.949 14.035 -22.564 1.00 0.00 H new ATOM 0 HG3 MET A 36 -1.149 15.634 -23.253 1.00 0.00 H new ATOM 0 HE1 MET A 36 -4.759 16.610 -22.545 1.00 0.00 H new ATOM 0 HE2 MET A 36 -3.203 16.985 -23.324 1.00 0.00 H new ATOM 0 HE3 MET A 36 -4.287 15.769 -24.040 1.00 0.00 H new ATOM 560 N ARG A 37 -0.707 13.190 -27.525 1.00 0.00 N ATOM 561 CA ARG A 37 -0.464 12.297 -28.652 1.00 0.00 C ATOM 562 C ARG A 37 1.022 11.946 -28.778 1.00 0.00 C ATOM 563 O ARG A 37 1.352 10.778 -28.961 1.00 0.00 O ATOM 564 CB ARG A 37 -1.042 12.859 -29.959 1.00 0.00 C ATOM 565 CG ARG A 37 -2.576 12.810 -30.014 1.00 0.00 C ATOM 566 CD ARG A 37 -3.088 11.389 -29.741 1.00 0.00 C ATOM 567 NE ARG A 37 -4.399 11.132 -30.346 1.00 0.00 N ATOM 568 CZ ARG A 37 -4.983 9.924 -30.344 1.00 0.00 C ATOM 569 NH1 ARG A 37 -4.514 8.935 -29.571 1.00 0.00 N ATOM 570 NH2 ARG A 37 -6.049 9.711 -31.121 1.00 0.00 N ATOM 0 H ARG A 37 -1.119 14.090 -27.771 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.995 11.366 -28.453 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -0.714 13.891 -30.079 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.637 12.296 -30.800 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.993 13.499 -29.279 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.920 13.143 -30.993 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.367 10.668 -30.126 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -3.152 11.231 -28.664 1.00 0.00 H new ATOM 0 HE ARG A 37 -4.890 11.908 -30.789 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -3.703 9.095 -28.974 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -4.968 8.022 -29.580 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -6.411 10.463 -31.708 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -6.501 8.797 -31.127 1.00 0.00 H new ATOM 584 N ALA A 38 1.930 12.915 -28.632 1.00 0.00 N ATOM 585 CA ALA A 38 3.364 12.626 -28.608 1.00 0.00 C ATOM 586 C ALA A 38 3.720 11.657 -27.471 1.00 0.00 C ATOM 587 O ALA A 38 4.547 10.767 -27.654 1.00 0.00 O ATOM 588 CB ALA A 38 4.180 13.921 -28.538 1.00 0.00 C ATOM 0 H ALA A 38 1.697 13.903 -28.529 1.00 0.00 H new ATOM 0 HA ALA A 38 3.626 12.127 -29.541 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.243 13.681 -28.521 1.00 0.00 H new ATOM 0 HB2 ALA A 38 3.961 14.537 -29.410 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.917 14.468 -27.633 1.00 0.00 H new ATOM 594 N LEU A 39 3.069 11.796 -26.312 1.00 0.00 N ATOM 595 CA LEU A 39 3.190 10.867 -25.188 1.00 0.00 C ATOM 596 C LEU A 39 2.475 9.525 -25.447 1.00 0.00 C ATOM 597 O LEU A 39 2.503 8.645 -24.590 1.00 0.00 O ATOM 598 CB LEU A 39 2.649 11.516 -23.901 1.00 0.00 C ATOM 599 CG LEU A 39 3.398 12.780 -23.440 1.00 0.00 C ATOM 600 CD1 LEU A 39 2.566 13.537 -22.391 1.00 0.00 C ATOM 601 CD2 LEU A 39 4.762 12.423 -22.837 1.00 0.00 C ATOM 0 H LEU A 39 2.433 12.571 -26.127 1.00 0.00 H new ATOM 0 HA LEU A 39 4.251 10.647 -25.070 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.600 11.770 -24.054 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.684 10.779 -23.099 1.00 0.00 H new ATOM 0 HG LEU A 39 3.553 13.413 -24.314 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.106 14.429 -22.073 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.610 13.828 -22.826 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.392 12.892 -21.530 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.269 13.334 -22.520 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.620 11.769 -21.977 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.368 11.912 -23.585 1.00 0.00 H new ATOM 613 N GLY A 40 1.830 9.349 -26.604 1.00 0.00 N ATOM 614 CA GLY A 40 1.169 8.111 -26.996 1.00 0.00 C ATOM 615 C GLY A 40 -0.146 7.885 -26.250 1.00 0.00 C ATOM 616 O GLY A 40 -0.578 6.746 -26.092 1.00 0.00 O ATOM 0 H GLY A 40 1.754 10.084 -27.307 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.975 8.131 -28.068 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.838 7.271 -26.808 1.00 0.00 H new ATOM 620 N PHE A 41 -0.791 8.957 -25.788 1.00 0.00 N ATOM 621 CA PHE A 41 -2.040 8.865 -25.042 1.00 0.00 C ATOM 622 C PHE A 41 -3.234 8.729 -25.986 1.00 0.00 C ATOM 623 O PHE A 41 -3.143 9.000 -27.185 1.00 0.00 O ATOM 624 CB PHE A 41 -2.239 10.131 -24.197 1.00 0.00 C ATOM 625 CG PHE A 41 -1.365 10.319 -22.966 1.00 0.00 C ATOM 626 CD1 PHE A 41 -0.215 9.535 -22.733 1.00 0.00 C ATOM 627 CD2 PHE A 41 -1.721 11.309 -22.030 1.00 0.00 C ATOM 628 CE1 PHE A 41 0.578 9.761 -21.595 1.00 0.00 C ATOM 629 CE2 PHE A 41 -0.922 11.542 -20.898 1.00 0.00 C ATOM 630 CZ PHE A 41 0.232 10.770 -20.681 1.00 0.00 C ATOM 0 H PHE A 41 -0.460 9.912 -25.922 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.980 7.984 -24.403 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.088 10.992 -24.847 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.280 10.155 -23.873 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.057 8.758 -23.432 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -2.616 11.894 -22.184 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.456 9.157 -21.423 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.195 12.315 -20.194 1.00 0.00 H new ATOM 0 HZ PHE A 41 0.851 10.952 -19.815 1.00 0.00 H new ATOM 640 N GLU A 42 -4.378 8.369 -25.395 1.00 0.00 N ATOM 641 CA GLU A 42 -5.691 8.385 -26.014 1.00 0.00 C ATOM 642 C GLU A 42 -6.472 9.531 -25.354 1.00 0.00 C ATOM 643 O GLU A 42 -6.833 9.403 -24.186 1.00 0.00 O ATOM 644 CB GLU A 42 -6.379 7.032 -25.780 1.00 0.00 C ATOM 645 CG GLU A 42 -7.733 6.964 -26.499 1.00 0.00 C ATOM 646 CD GLU A 42 -8.448 5.653 -26.197 1.00 0.00 C ATOM 647 OE1 GLU A 42 -8.117 4.656 -26.873 1.00 0.00 O ATOM 648 OE2 GLU A 42 -9.305 5.673 -25.287 1.00 0.00 O ATOM 0 H GLU A 42 -4.406 8.045 -24.428 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.635 8.541 -27.091 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.735 6.228 -26.136 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.524 6.875 -24.711 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.356 7.802 -26.187 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.583 7.061 -27.574 1.00 0.00 H new ATOM 655 N PRO A 43 -6.704 10.654 -26.051 1.00 0.00 N ATOM 656 CA PRO A 43 -7.511 11.768 -25.579 1.00 0.00 C ATOM 657 C PRO A 43 -8.950 11.392 -25.191 1.00 0.00 C ATOM 658 O PRO A 43 -9.904 11.694 -25.909 1.00 0.00 O ATOM 659 CB PRO A 43 -7.452 12.814 -26.700 1.00 0.00 C ATOM 660 CG PRO A 43 -6.071 12.572 -27.304 1.00 0.00 C ATOM 661 CD PRO A 43 -5.948 11.052 -27.224 1.00 0.00 C ATOM 0 HA PRO A 43 -7.110 12.152 -24.641 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.246 12.670 -27.432 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -7.554 13.828 -26.315 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -6.006 12.933 -28.331 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -5.286 13.075 -26.740 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.344 10.580 -28.123 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -4.905 10.748 -27.138 1.00 0.00 H new ATOM 669 N LYS A 44 -9.119 10.784 -24.015 1.00 0.00 N ATOM 670 CA LYS A 44 -10.412 10.544 -23.393 1.00 0.00 C ATOM 671 C LYS A 44 -11.048 11.892 -23.023 1.00 0.00 C ATOM 672 O LYS A 44 -10.933 12.356 -21.890 1.00 0.00 O ATOM 673 CB LYS A 44 -10.243 9.631 -22.170 1.00 0.00 C ATOM 674 CG LYS A 44 -9.744 8.230 -22.550 1.00 0.00 C ATOM 675 CD LYS A 44 -9.663 7.356 -21.291 1.00 0.00 C ATOM 676 CE LYS A 44 -9.049 5.981 -21.580 1.00 0.00 C ATOM 677 NZ LYS A 44 -9.866 5.192 -22.518 1.00 0.00 N ATOM 0 H LYS A 44 -8.337 10.438 -23.459 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.078 10.033 -24.088 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.540 10.088 -21.474 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.197 9.545 -21.649 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.418 7.777 -23.277 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.764 8.297 -23.023 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.067 7.866 -20.534 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.662 7.226 -20.876 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.049 6.111 -21.993 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.939 5.431 -20.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.709 4.178 -22.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.872 5.415 -22.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.595 5.425 -23.495 1.00 0.00 H new ATOM 691 N LYS A 45 -11.685 12.517 -24.017 1.00 0.00 N ATOM 692 CA LYS A 45 -12.205 13.881 -24.029 1.00 0.00 C ATOM 693 C LYS A 45 -12.674 14.389 -22.661 1.00 0.00 C ATOM 694 O LYS A 45 -12.224 15.439 -22.208 1.00 0.00 O ATOM 695 CB LYS A 45 -13.342 13.989 -25.057 1.00 0.00 C ATOM 696 CG LYS A 45 -12.877 13.651 -26.481 1.00 0.00 C ATOM 697 CD LYS A 45 -14.017 13.905 -27.476 1.00 0.00 C ATOM 698 CE LYS A 45 -13.582 13.638 -28.923 1.00 0.00 C ATOM 699 NZ LYS A 45 -13.212 12.227 -29.139 1.00 0.00 N ATOM 0 H LYS A 45 -11.863 12.042 -24.902 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.371 14.525 -24.309 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.151 13.316 -24.772 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.748 15.000 -25.041 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.011 14.258 -26.744 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -12.563 12.609 -26.533 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.865 13.266 -27.228 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -14.357 14.936 -27.383 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -14.392 13.908 -29.600 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -12.734 14.277 -29.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -13.039 12.065 -30.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -12.349 12.008 -28.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -13.986 11.612 -28.817 1.00 0.00 H new ATOM 713 N GLU A 46 -13.586 13.671 -22.005 1.00 0.00 N ATOM 714 CA GLU A 46 -14.152 14.093 -20.732 1.00 0.00 C ATOM 715 C GLU A 46 -13.040 14.254 -19.687 1.00 0.00 C ATOM 716 O GLU A 46 -12.902 15.302 -19.055 1.00 0.00 O ATOM 717 CB GLU A 46 -15.219 13.086 -20.266 1.00 0.00 C ATOM 718 CG GLU A 46 -16.468 13.041 -21.167 1.00 0.00 C ATOM 719 CD GLU A 46 -16.237 12.440 -22.555 1.00 0.00 C ATOM 720 OE1 GLU A 46 -15.302 11.619 -22.683 1.00 0.00 O ATOM 721 OE2 GLU A 46 -16.991 12.829 -23.472 1.00 0.00 O ATOM 0 H GLU A 46 -13.951 12.781 -22.345 1.00 0.00 H new ATOM 0 HA GLU A 46 -14.637 15.061 -20.858 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -14.774 12.092 -20.228 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -15.524 13.338 -19.250 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -17.243 12.465 -20.661 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -16.851 14.055 -21.285 1.00 0.00 H new ATOM 728 N GLU A 47 -12.236 13.202 -19.520 1.00 0.00 N ATOM 729 CA GLU A 47 -11.133 13.168 -18.574 1.00 0.00 C ATOM 730 C GLU A 47 -10.098 14.230 -18.948 1.00 0.00 C ATOM 731 O GLU A 47 -9.585 14.920 -18.071 1.00 0.00 O ATOM 732 CB GLU A 47 -10.507 11.766 -18.534 1.00 0.00 C ATOM 733 CG GLU A 47 -11.409 10.717 -17.858 1.00 0.00 C ATOM 734 CD GLU A 47 -12.728 10.460 -18.585 1.00 0.00 C ATOM 735 OE1 GLU A 47 -12.705 10.460 -19.835 1.00 0.00 O ATOM 736 OE2 GLU A 47 -13.743 10.280 -17.878 1.00 0.00 O ATOM 0 H GLU A 47 -12.340 12.337 -20.051 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.507 13.392 -17.575 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.287 11.444 -19.552 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.557 11.815 -18.003 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.861 9.778 -17.782 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.626 11.043 -16.841 1.00 0.00 H new ATOM 743 N ILE A 48 -9.805 14.378 -20.242 1.00 0.00 N ATOM 744 CA ILE A 48 -8.920 15.424 -20.744 1.00 0.00 C ATOM 745 C ILE A 48 -9.419 16.797 -20.279 1.00 0.00 C ATOM 746 O ILE A 48 -8.659 17.566 -19.692 1.00 0.00 O ATOM 747 CB ILE A 48 -8.813 15.326 -22.279 1.00 0.00 C ATOM 748 CG1 ILE A 48 -8.085 14.046 -22.720 1.00 0.00 C ATOM 749 CG2 ILE A 48 -8.167 16.569 -22.907 1.00 0.00 C ATOM 750 CD1 ILE A 48 -6.558 14.149 -22.649 1.00 0.00 C ATOM 0 H ILE A 48 -10.178 13.771 -20.972 1.00 0.00 H new ATOM 0 HA ILE A 48 -7.917 15.290 -20.339 1.00 0.00 H new ATOM 0 HB ILE A 48 -9.836 15.276 -22.651 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -8.414 13.217 -22.093 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -8.377 13.807 -23.743 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -8.117 16.446 -23.989 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -8.765 17.449 -22.669 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -7.160 16.696 -22.509 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -6.114 13.208 -22.975 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -6.217 14.955 -23.298 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -6.255 14.357 -21.623 1.00 0.00 H new ATOM 762 N LYS A 49 -10.695 17.107 -20.532 1.00 0.00 N ATOM 763 CA LYS A 49 -11.289 18.384 -20.164 1.00 0.00 C ATOM 764 C LYS A 49 -11.153 18.593 -18.655 1.00 0.00 C ATOM 765 O LYS A 49 -10.672 19.636 -18.211 1.00 0.00 O ATOM 766 CB LYS A 49 -12.756 18.444 -20.632 1.00 0.00 C ATOM 767 CG LYS A 49 -13.185 19.826 -21.146 1.00 0.00 C ATOM 768 CD LYS A 49 -13.179 20.985 -20.136 1.00 0.00 C ATOM 769 CE LYS A 49 -14.274 20.893 -19.061 1.00 0.00 C ATOM 770 NZ LYS A 49 -13.862 20.093 -17.896 1.00 0.00 N ATOM 0 H LYS A 49 -11.342 16.473 -21.000 1.00 0.00 H new ATOM 0 HA LYS A 49 -10.762 19.197 -20.663 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -12.906 17.710 -21.423 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -13.404 18.157 -19.804 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -12.530 20.096 -21.974 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -14.193 19.737 -21.552 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -12.206 21.019 -19.645 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -13.296 21.924 -20.677 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -14.539 21.898 -18.731 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -15.171 20.455 -19.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -14.631 20.078 -17.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -13.651 19.121 -18.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -13.013 20.514 -17.469 1.00 0.00 H new ATOM 784 N LYS A 50 -11.573 17.599 -17.865 1.00 0.00 N ATOM 785 CA LYS A 50 -11.464 17.654 -16.414 1.00 0.00 C ATOM 786 C LYS A 50 -10.025 17.962 -15.994 1.00 0.00 C ATOM 787 O LYS A 50 -9.794 18.946 -15.295 1.00 0.00 O ATOM 788 CB LYS A 50 -11.969 16.347 -15.786 1.00 0.00 C ATOM 789 CG LYS A 50 -13.490 16.170 -15.908 1.00 0.00 C ATOM 790 CD LYS A 50 -14.253 17.050 -14.906 1.00 0.00 C ATOM 791 CE LYS A 50 -15.757 16.766 -14.984 1.00 0.00 C ATOM 792 NZ LYS A 50 -16.507 17.581 -14.013 1.00 0.00 N ATOM 0 H LYS A 50 -11.995 16.740 -18.217 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.095 18.463 -16.046 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.471 15.504 -16.265 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.690 16.325 -14.733 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -13.804 16.419 -16.922 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -13.748 15.124 -15.742 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -13.892 16.859 -13.895 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -14.063 18.102 -15.118 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -16.117 16.974 -15.992 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -15.940 15.709 -14.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -17.522 17.366 -14.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -16.179 17.363 -13.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -16.350 18.590 -14.212 1.00 0.00 H new ATOM 806 N MET A 51 -9.059 17.150 -16.435 1.00 0.00 N ATOM 807 CA MET A 51 -7.653 17.346 -16.132 1.00 0.00 C ATOM 808 C MET A 51 -7.241 18.783 -16.455 1.00 0.00 C ATOM 809 O MET A 51 -6.774 19.506 -15.577 1.00 0.00 O ATOM 810 CB MET A 51 -6.815 16.332 -16.921 1.00 0.00 C ATOM 811 CG MET A 51 -5.366 16.332 -16.425 1.00 0.00 C ATOM 812 SD MET A 51 -4.150 15.511 -17.488 1.00 0.00 S ATOM 813 CE MET A 51 -4.117 16.652 -18.891 1.00 0.00 C ATOM 0 H MET A 51 -9.241 16.333 -17.017 1.00 0.00 H new ATOM 0 HA MET A 51 -7.479 17.183 -15.068 1.00 0.00 H new ATOM 0 HB2 MET A 51 -7.243 15.335 -16.813 1.00 0.00 H new ATOM 0 HB3 MET A 51 -6.842 16.577 -17.983 1.00 0.00 H new ATOM 0 HG2 MET A 51 -5.053 17.367 -16.284 1.00 0.00 H new ATOM 0 HG3 MET A 51 -5.340 15.855 -15.445 1.00 0.00 H new ATOM 0 HE1 MET A 51 -3.261 16.423 -19.526 1.00 0.00 H new ATOM 0 HE2 MET A 51 -5.035 16.545 -19.468 1.00 0.00 H new ATOM 0 HE3 MET A 51 -4.035 17.676 -18.526 1.00 0.00 H new ATOM 823 N ILE A 52 -7.425 19.202 -17.710 1.00 0.00 N ATOM 824 CA ILE A 52 -7.071 20.544 -18.152 1.00 0.00 C ATOM 825 C ILE A 52 -7.687 21.584 -17.214 1.00 0.00 C ATOM 826 O ILE A 52 -7.000 22.516 -16.813 1.00 0.00 O ATOM 827 CB ILE A 52 -7.473 20.746 -19.629 1.00 0.00 C ATOM 828 CG1 ILE A 52 -6.526 19.920 -20.520 1.00 0.00 C ATOM 829 CG2 ILE A 52 -7.429 22.228 -20.041 1.00 0.00 C ATOM 830 CD1 ILE A 52 -6.949 19.892 -21.991 1.00 0.00 C ATOM 0 H ILE A 52 -7.824 18.617 -18.444 1.00 0.00 H new ATOM 0 HA ILE A 52 -5.990 20.676 -18.104 1.00 0.00 H new ATOM 0 HB ILE A 52 -8.502 20.409 -19.755 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.519 20.331 -20.447 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -6.482 18.898 -20.142 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -7.719 22.324 -21.087 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -8.119 22.799 -19.420 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.418 22.613 -19.908 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -6.239 19.294 -22.562 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -7.944 19.454 -22.075 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.966 20.908 -22.384 1.00 0.00 H new ATOM 842 N SER A 53 -8.956 21.418 -16.835 1.00 0.00 N ATOM 843 CA SER A 53 -9.611 22.339 -15.916 1.00 0.00 C ATOM 844 C SER A 53 -8.917 22.361 -14.552 1.00 0.00 C ATOM 845 O SER A 53 -8.613 23.433 -14.040 1.00 0.00 O ATOM 846 CB SER A 53 -11.098 21.991 -15.775 1.00 0.00 C ATOM 847 OG SER A 53 -11.710 21.899 -17.047 1.00 0.00 O ATOM 0 H SER A 53 -9.548 20.651 -17.154 1.00 0.00 H new ATOM 0 HA SER A 53 -9.532 23.342 -16.334 1.00 0.00 H new ATOM 0 HB2 SER A 53 -11.207 21.046 -15.244 1.00 0.00 H new ATOM 0 HB3 SER A 53 -11.600 22.752 -15.178 1.00 0.00 H new ATOM 0 HG SER A 53 -11.295 21.173 -17.558 1.00 0.00 H new ATOM 853 N GLU A 54 -8.658 21.192 -13.960 1.00 0.00 N ATOM 854 CA GLU A 54 -7.988 21.121 -12.666 1.00 0.00 C ATOM 855 C GLU A 54 -6.618 21.805 -12.723 1.00 0.00 C ATOM 856 O GLU A 54 -6.259 22.556 -11.819 1.00 0.00 O ATOM 857 CB GLU A 54 -7.853 19.661 -12.206 1.00 0.00 C ATOM 858 CG GLU A 54 -9.205 18.980 -11.937 1.00 0.00 C ATOM 859 CD GLU A 54 -10.010 19.668 -10.839 1.00 0.00 C ATOM 860 OE1 GLU A 54 -9.458 19.792 -9.723 1.00 0.00 O ATOM 861 OE2 GLU A 54 -11.161 20.057 -11.133 1.00 0.00 O ATOM 0 H GLU A 54 -8.903 20.285 -14.358 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.599 21.653 -11.936 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.315 19.096 -12.967 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.250 19.628 -11.298 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.790 18.970 -12.857 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.033 17.941 -11.657 1.00 0.00 H new ATOM 868 N ILE A 55 -5.841 21.534 -13.775 1.00 0.00 N ATOM 869 CA ILE A 55 -4.513 22.115 -13.925 1.00 0.00 C ATOM 870 C ILE A 55 -4.599 23.611 -14.270 1.00 0.00 C ATOM 871 O ILE A 55 -3.734 24.381 -13.854 1.00 0.00 O ATOM 872 CB ILE A 55 -3.693 21.311 -14.953 1.00 0.00 C ATOM 873 CG1 ILE A 55 -3.598 19.810 -14.620 1.00 0.00 C ATOM 874 CG2 ILE A 55 -2.275 21.883 -15.097 1.00 0.00 C ATOM 875 CD1 ILE A 55 -2.994 19.484 -13.249 1.00 0.00 C ATOM 0 H ILE A 55 -6.114 20.913 -14.536 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.987 22.051 -12.972 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.233 21.407 -15.895 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.598 19.379 -14.671 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.000 19.320 -15.389 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.719 21.297 -15.828 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.333 22.919 -15.431 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.766 21.840 -14.134 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.971 18.403 -13.109 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.979 19.879 -13.195 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.602 19.938 -12.466 1.00 0.00 H new ATOM 887 N ASP A 56 -5.612 24.036 -15.034 1.00 0.00 N ATOM 888 CA ASP A 56 -5.747 25.413 -15.486 1.00 0.00 C ATOM 889 C ASP A 56 -6.542 26.232 -14.467 1.00 0.00 C ATOM 890 O ASP A 56 -7.751 26.406 -14.605 1.00 0.00 O ATOM 891 CB ASP A 56 -6.407 25.454 -16.869 1.00 0.00 C ATOM 892 CG ASP A 56 -6.438 26.859 -17.462 1.00 0.00 C ATOM 893 OD1 ASP A 56 -6.056 27.814 -16.749 1.00 0.00 O ATOM 894 OD2 ASP A 56 -6.882 26.965 -18.624 1.00 0.00 O ATOM 0 H ASP A 56 -6.363 23.425 -15.355 1.00 0.00 H new ATOM 0 HA ASP A 56 -4.755 25.857 -15.572 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.868 24.790 -17.545 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -7.425 25.073 -16.793 1.00 0.00 H new ATOM 899 N LYS A 57 -5.847 26.809 -13.490 1.00 0.00 N ATOM 900 CA LYS A 57 -6.447 27.626 -12.445 1.00 0.00 C ATOM 901 C LYS A 57 -7.073 28.917 -13.002 1.00 0.00 C ATOM 902 O LYS A 57 -7.900 29.523 -12.326 1.00 0.00 O ATOM 903 CB LYS A 57 -5.400 27.949 -11.366 1.00 0.00 C ATOM 904 CG LYS A 57 -5.085 26.784 -10.411 1.00 0.00 C ATOM 905 CD LYS A 57 -4.483 25.554 -11.108 1.00 0.00 C ATOM 906 CE LYS A 57 -4.030 24.475 -10.118 1.00 0.00 C ATOM 907 NZ LYS A 57 -2.889 24.916 -9.296 1.00 0.00 N ATOM 0 H LYS A 57 -4.835 26.719 -13.403 1.00 0.00 H new ATOM 0 HA LYS A 57 -7.258 27.050 -11.998 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.477 28.260 -11.855 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -5.752 28.798 -10.779 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.391 27.132 -9.646 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -6.001 26.488 -9.900 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -5.221 25.130 -11.789 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.632 25.865 -11.714 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.863 24.209 -9.467 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.754 23.574 -10.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.499 24.103 -8.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.154 25.320 -9.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.208 25.637 -8.618 1.00 0.00 H new ATOM 921 N ASP A 58 -6.691 29.358 -14.208 1.00 0.00 N ATOM 922 CA ASP A 58 -7.283 30.531 -14.841 1.00 0.00 C ATOM 923 C ASP A 58 -8.592 30.108 -15.504 1.00 0.00 C ATOM 924 O ASP A 58 -9.608 30.790 -15.401 1.00 0.00 O ATOM 925 CB ASP A 58 -6.296 31.117 -15.859 1.00 0.00 C ATOM 926 CG ASP A 58 -6.984 32.089 -16.809 1.00 0.00 C ATOM 927 OD1 ASP A 58 -7.532 31.585 -17.814 1.00 0.00 O ATOM 928 OD2 ASP A 58 -6.952 33.303 -16.516 1.00 0.00 O ATOM 0 H ASP A 58 -5.965 28.909 -14.766 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.496 31.306 -14.105 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.491 31.630 -15.333 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.840 30.309 -16.431 1.00 0.00 H new ATOM 933 N GLY A 59 -8.533 28.974 -16.200 1.00 0.00 N ATOM 934 CA GLY A 59 -9.670 28.282 -16.769 1.00 0.00 C ATOM 935 C GLY A 59 -9.730 28.368 -18.294 1.00 0.00 C ATOM 936 O GLY A 59 -10.438 27.578 -18.914 1.00 0.00 O ATOM 0 H GLY A 59 -7.650 28.498 -16.386 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.634 27.234 -16.472 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -10.586 28.700 -16.352 1.00 0.00 H new ATOM 940 N SER A 60 -8.986 29.282 -18.929 1.00 0.00 N ATOM 941 CA SER A 60 -9.145 29.575 -20.358 1.00 0.00 C ATOM 942 C SER A 60 -8.487 28.542 -21.286 1.00 0.00 C ATOM 943 O SER A 60 -7.942 28.907 -22.323 1.00 0.00 O ATOM 944 CB SER A 60 -8.632 30.987 -20.669 1.00 0.00 C ATOM 945 OG SER A 60 -9.270 31.936 -19.836 1.00 0.00 O ATOM 0 H SER A 60 -8.262 29.835 -18.471 1.00 0.00 H new ATOM 0 HA SER A 60 -10.214 29.516 -20.563 1.00 0.00 H new ATOM 0 HB2 SER A 60 -7.553 31.030 -20.521 1.00 0.00 H new ATOM 0 HB3 SER A 60 -8.820 31.227 -21.716 1.00 0.00 H new ATOM 0 HG SER A 60 -8.864 31.914 -18.944 1.00 0.00 H new ATOM 951 N GLY A 61 -8.563 27.257 -20.941 1.00 0.00 N ATOM 952 CA GLY A 61 -8.036 26.154 -21.736 1.00 0.00 C ATOM 953 C GLY A 61 -6.558 26.328 -22.098 1.00 0.00 C ATOM 954 O GLY A 61 -6.150 25.984 -23.207 1.00 0.00 O ATOM 0 H GLY A 61 -9.006 26.948 -20.076 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -8.162 25.223 -21.183 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.620 26.062 -22.652 1.00 0.00 H new ATOM 958 N THR A 62 -5.757 26.839 -21.159 1.00 0.00 N ATOM 959 CA THR A 62 -4.336 27.102 -21.334 1.00 0.00 C ATOM 960 C THR A 62 -3.577 26.662 -20.087 1.00 0.00 C ATOM 961 O THR A 62 -3.864 27.158 -18.999 1.00 0.00 O ATOM 962 CB THR A 62 -4.098 28.600 -21.528 1.00 0.00 C ATOM 963 OG1 THR A 62 -4.797 29.321 -20.530 1.00 0.00 O ATOM 964 CG2 THR A 62 -4.509 29.093 -22.916 1.00 0.00 C ATOM 0 H THR A 62 -6.095 27.087 -20.229 1.00 0.00 H new ATOM 0 HA THR A 62 -3.988 26.552 -22.208 1.00 0.00 H new ATOM 0 HB THR A 62 -3.025 28.773 -21.439 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.728 28.847 -19.675 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.317 30.163 -22.994 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.933 28.564 -23.675 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.571 28.903 -23.070 1.00 0.00 H new ATOM 972 N ILE A 63 -2.579 25.797 -20.253 1.00 0.00 N ATOM 973 CA ILE A 63 -1.686 25.393 -19.180 1.00 0.00 C ATOM 974 C ILE A 63 -0.481 26.337 -19.192 1.00 0.00 C ATOM 975 O ILE A 63 0.388 26.216 -20.057 1.00 0.00 O ATOM 976 CB ILE A 63 -1.260 23.924 -19.360 1.00 0.00 C ATOM 977 CG1 ILE A 63 -2.433 22.963 -19.625 1.00 0.00 C ATOM 978 CG2 ILE A 63 -0.456 23.464 -18.140 1.00 0.00 C ATOM 979 CD1 ILE A 63 -3.607 23.115 -18.656 1.00 0.00 C ATOM 0 H ILE A 63 -2.369 25.354 -21.148 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.188 25.459 -18.215 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.639 23.889 -20.255 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.794 23.121 -20.641 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.066 21.938 -19.573 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.157 22.424 -18.272 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.433 24.086 -18.034 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.071 23.554 -17.244 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.388 22.400 -18.916 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.266 22.926 -17.638 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.005 24.127 -18.723 1.00 0.00 H new ATOM 991 N ASP A 64 -0.423 27.281 -18.250 1.00 0.00 N ATOM 992 CA ASP A 64 0.755 28.127 -18.071 1.00 0.00 C ATOM 993 C ASP A 64 1.956 27.263 -17.681 1.00 0.00 C ATOM 994 O ASP A 64 1.780 26.227 -17.038 1.00 0.00 O ATOM 995 CB ASP A 64 0.475 29.194 -17.005 1.00 0.00 C ATOM 996 CG ASP A 64 1.682 30.104 -16.786 1.00 0.00 C ATOM 997 OD1 ASP A 64 2.528 29.730 -15.944 1.00 0.00 O ATOM 998 OD2 ASP A 64 1.746 31.140 -17.480 1.00 0.00 O ATOM 0 H ASP A 64 -1.182 27.478 -17.598 1.00 0.00 H new ATOM 0 HA ASP A 64 0.986 28.634 -19.008 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.383 29.794 -17.307 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.210 28.709 -16.066 1.00 0.00 H new ATOM 1003 N PHE A 65 3.175 27.693 -18.031 1.00 0.00 N ATOM 1004 CA PHE A 65 4.395 26.983 -17.645 1.00 0.00 C ATOM 1005 C PHE A 65 4.386 26.564 -16.174 1.00 0.00 C ATOM 1006 O PHE A 65 4.656 25.405 -15.877 1.00 0.00 O ATOM 1007 CB PHE A 65 5.653 27.798 -17.979 1.00 0.00 C ATOM 1008 CG PHE A 65 6.951 27.143 -17.522 1.00 0.00 C ATOM 1009 CD1 PHE A 65 7.253 25.817 -17.895 1.00 0.00 C ATOM 1010 CD2 PHE A 65 7.817 27.827 -16.646 1.00 0.00 C ATOM 1011 CE1 PHE A 65 8.381 25.168 -17.363 1.00 0.00 C ATOM 1012 CE2 PHE A 65 8.960 27.186 -16.138 1.00 0.00 C ATOM 1013 CZ PHE A 65 9.236 25.853 -16.486 1.00 0.00 C ATOM 0 H PHE A 65 3.340 28.534 -18.584 1.00 0.00 H new ATOM 0 HA PHE A 65 4.420 26.068 -18.237 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.697 27.956 -19.057 1.00 0.00 H new ATOM 0 HB3 PHE A 65 5.571 28.781 -17.516 1.00 0.00 H new ATOM 0 HD1 PHE A 65 6.614 25.297 -18.593 1.00 0.00 H new ATOM 0 HD2 PHE A 65 7.602 28.847 -16.364 1.00 0.00 H new ATOM 0 HE1 PHE A 65 8.590 24.142 -17.629 1.00 0.00 H new ATOM 0 HE2 PHE A 65 9.628 27.720 -15.478 1.00 0.00 H new ATOM 0 HZ PHE A 65 10.105 25.356 -16.079 1.00 0.00 H new ATOM 1023 N GLU A 66 4.044 27.470 -15.256 1.00 0.00 N ATOM 1024 CA GLU A 66 4.010 27.151 -13.833 1.00 0.00 C ATOM 1025 C GLU A 66 3.046 25.992 -13.547 1.00 0.00 C ATOM 1026 O GLU A 66 3.354 25.095 -12.762 1.00 0.00 O ATOM 1027 CB GLU A 66 3.631 28.398 -13.025 1.00 0.00 C ATOM 1028 CG GLU A 66 4.665 29.521 -13.193 1.00 0.00 C ATOM 1029 CD GLU A 66 4.331 30.726 -12.317 1.00 0.00 C ATOM 1030 OE1 GLU A 66 3.268 31.333 -12.570 1.00 0.00 O ATOM 1031 OE2 GLU A 66 5.141 31.015 -11.410 1.00 0.00 O ATOM 0 H GLU A 66 3.787 28.432 -15.476 1.00 0.00 H new ATOM 0 HA GLU A 66 5.005 26.828 -13.527 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.652 28.755 -13.344 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.547 28.136 -11.970 1.00 0.00 H new ATOM 0 HG2 GLU A 66 5.656 29.146 -12.935 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.703 29.829 -14.238 1.00 0.00 H new ATOM 1038 N GLU A 67 1.874 26.002 -14.185 1.00 0.00 N ATOM 1039 CA GLU A 67 0.868 24.966 -14.003 1.00 0.00 C ATOM 1040 C GLU A 67 1.392 23.635 -14.547 1.00 0.00 C ATOM 1041 O GLU A 67 1.285 22.606 -13.884 1.00 0.00 O ATOM 1042 CB GLU A 67 -0.441 25.379 -14.686 1.00 0.00 C ATOM 1043 CG GLU A 67 -1.015 26.670 -14.088 1.00 0.00 C ATOM 1044 CD GLU A 67 -2.271 27.126 -14.827 1.00 0.00 C ATOM 1045 OE1 GLU A 67 -2.213 27.161 -16.077 1.00 0.00 O ATOM 1046 OE2 GLU A 67 -3.256 27.449 -14.131 1.00 0.00 O ATOM 0 H GLU A 67 1.600 26.732 -14.843 1.00 0.00 H new ATOM 0 HA GLU A 67 0.662 24.838 -12.940 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.265 25.520 -15.753 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.172 24.576 -14.586 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.250 26.510 -13.036 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.262 27.457 -14.131 1.00 0.00 H new ATOM 1053 N PHE A 68 1.991 23.661 -15.741 1.00 0.00 N ATOM 1054 CA PHE A 68 2.635 22.490 -16.325 1.00 0.00 C ATOM 1055 C PHE A 68 3.695 21.931 -15.371 1.00 0.00 C ATOM 1056 O PHE A 68 3.708 20.739 -15.071 1.00 0.00 O ATOM 1057 CB PHE A 68 3.253 22.851 -17.679 1.00 0.00 C ATOM 1058 CG PHE A 68 3.848 21.671 -18.422 1.00 0.00 C ATOM 1059 CD1 PHE A 68 3.008 20.806 -19.147 1.00 0.00 C ATOM 1060 CD2 PHE A 68 5.245 21.519 -18.501 1.00 0.00 C ATOM 1061 CE1 PHE A 68 3.562 19.786 -19.940 1.00 0.00 C ATOM 1062 CE2 PHE A 68 5.797 20.529 -19.331 1.00 0.00 C ATOM 1063 CZ PHE A 68 4.957 19.648 -20.031 1.00 0.00 C ATOM 0 H PHE A 68 2.041 24.495 -16.326 1.00 0.00 H new ATOM 0 HA PHE A 68 1.884 21.716 -16.485 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.488 23.312 -18.304 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.031 23.599 -17.524 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.936 20.926 -19.094 1.00 0.00 H new ATOM 0 HD2 PHE A 68 5.892 22.163 -17.924 1.00 0.00 H new ATOM 0 HE1 PHE A 68 2.916 19.109 -20.479 1.00 0.00 H new ATOM 0 HE2 PHE A 68 6.869 20.445 -19.431 1.00 0.00 H new ATOM 0 HZ PHE A 68 5.383 18.864 -20.639 1.00 0.00 H new ATOM 1073 N LEU A 69 4.576 22.801 -14.875 1.00 0.00 N ATOM 1074 CA LEU A 69 5.609 22.448 -13.913 1.00 0.00 C ATOM 1075 C LEU A 69 4.953 21.771 -12.707 1.00 0.00 C ATOM 1076 O LEU A 69 5.360 20.683 -12.313 1.00 0.00 O ATOM 1077 CB LEU A 69 6.418 23.703 -13.529 1.00 0.00 C ATOM 1078 CG LEU A 69 7.889 23.427 -13.178 1.00 0.00 C ATOM 1079 CD1 LEU A 69 8.580 24.749 -12.827 1.00 0.00 C ATOM 1080 CD2 LEU A 69 8.055 22.453 -12.008 1.00 0.00 C ATOM 0 H LEU A 69 4.588 23.786 -15.138 1.00 0.00 H new ATOM 0 HA LEU A 69 6.316 21.740 -14.346 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.381 24.411 -14.357 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.938 24.183 -12.677 1.00 0.00 H new ATOM 0 HG LEU A 69 8.344 22.962 -14.053 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.624 24.559 -12.577 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.528 25.424 -13.681 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.080 25.205 -11.973 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.116 22.300 -11.810 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.576 22.866 -11.120 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.592 21.499 -12.260 1.00 0.00 H new ATOM 1092 N THR A 70 3.904 22.379 -12.145 1.00 0.00 N ATOM 1093 CA THR A 70 3.164 21.804 -11.026 1.00 0.00 C ATOM 1094 C THR A 70 2.647 20.400 -11.369 1.00 0.00 C ATOM 1095 O THR A 70 2.858 19.457 -10.607 1.00 0.00 O ATOM 1096 CB THR A 70 2.032 22.749 -10.591 1.00 0.00 C ATOM 1097 OG1 THR A 70 2.556 24.035 -10.325 1.00 0.00 O ATOM 1098 CG2 THR A 70 1.350 22.254 -9.311 1.00 0.00 C ATOM 0 H THR A 70 3.547 23.283 -12.455 1.00 0.00 H new ATOM 0 HA THR A 70 3.842 21.692 -10.180 1.00 0.00 H new ATOM 0 HB THR A 70 1.306 22.780 -11.403 1.00 0.00 H new ATOM 0 HG1 THR A 70 2.764 24.485 -11.170 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.555 22.945 -9.032 1.00 0.00 H new ATOM 0 HG22 THR A 70 0.927 21.265 -9.484 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.083 22.200 -8.506 1.00 0.00 H new ATOM 1106 N MET A 71 1.991 20.241 -12.522 1.00 0.00 N ATOM 1107 CA MET A 71 1.499 18.949 -12.980 1.00 0.00 C ATOM 1108 C MET A 71 2.640 17.925 -12.997 1.00 0.00 C ATOM 1109 O MET A 71 2.523 16.843 -12.422 1.00 0.00 O ATOM 1110 CB MET A 71 0.854 19.109 -14.364 1.00 0.00 C ATOM 1111 CG MET A 71 0.143 17.829 -14.815 1.00 0.00 C ATOM 1112 SD MET A 71 -0.633 17.887 -16.452 1.00 0.00 S ATOM 1113 CE MET A 71 0.807 18.147 -17.514 1.00 0.00 C ATOM 0 H MET A 71 1.788 21.009 -13.162 1.00 0.00 H new ATOM 0 HA MET A 71 0.739 18.577 -12.293 1.00 0.00 H new ATOM 0 HB2 MET A 71 0.139 19.931 -14.338 1.00 0.00 H new ATOM 0 HB3 MET A 71 1.620 19.375 -15.093 1.00 0.00 H new ATOM 0 HG2 MET A 71 0.866 17.013 -14.806 1.00 0.00 H new ATOM 0 HG3 MET A 71 -0.624 17.584 -14.080 1.00 0.00 H new ATOM 0 HE1 MET A 71 0.520 18.010 -18.556 1.00 0.00 H new ATOM 0 HE2 MET A 71 1.186 19.159 -17.372 1.00 0.00 H new ATOM 0 HE3 MET A 71 1.585 17.429 -17.254 1.00 0.00 H new ATOM 1123 N MET A 72 3.759 18.269 -13.636 1.00 0.00 N ATOM 1124 CA MET A 72 4.921 17.396 -13.690 1.00 0.00 C ATOM 1125 C MET A 72 5.501 17.142 -12.292 1.00 0.00 C ATOM 1126 O MET A 72 5.984 16.044 -12.026 1.00 0.00 O ATOM 1127 CB MET A 72 5.963 17.959 -14.665 1.00 0.00 C ATOM 1128 CG MET A 72 5.454 17.990 -16.117 1.00 0.00 C ATOM 1129 SD MET A 72 4.915 16.425 -16.867 1.00 0.00 S ATOM 1130 CE MET A 72 6.419 15.437 -16.716 1.00 0.00 C ATOM 0 H MET A 72 3.880 19.155 -14.126 1.00 0.00 H new ATOM 0 HA MET A 72 4.608 16.423 -14.069 1.00 0.00 H new ATOM 0 HB2 MET A 72 6.236 18.968 -14.357 1.00 0.00 H new ATOM 0 HB3 MET A 72 6.868 17.354 -14.613 1.00 0.00 H new ATOM 0 HG2 MET A 72 4.618 18.687 -16.163 1.00 0.00 H new ATOM 0 HG3 MET A 72 6.247 18.403 -16.740 1.00 0.00 H new ATOM 0 HE1 MET A 72 6.275 14.477 -17.213 1.00 0.00 H new ATOM 0 HE2 MET A 72 7.250 15.966 -17.182 1.00 0.00 H new ATOM 0 HE3 MET A 72 6.641 15.270 -15.662 1.00 0.00 H new ATOM 1140 N THR A 73 5.434 18.119 -11.383 1.00 0.00 N ATOM 1141 CA THR A 73 5.839 17.935 -9.992 1.00 0.00 C ATOM 1142 C THR A 73 4.948 16.889 -9.322 1.00 0.00 C ATOM 1143 O THR A 73 5.441 16.054 -8.570 1.00 0.00 O ATOM 1144 CB THR A 73 5.819 19.266 -9.216 1.00 0.00 C ATOM 1145 OG1 THR A 73 6.578 20.248 -9.890 1.00 0.00 O ATOM 1146 CG2 THR A 73 6.423 19.113 -7.817 1.00 0.00 C ATOM 0 H THR A 73 5.097 19.058 -11.594 1.00 0.00 H new ATOM 0 HA THR A 73 6.868 17.575 -9.980 1.00 0.00 H new ATOM 0 HB THR A 73 4.773 19.563 -9.141 1.00 0.00 H new ATOM 0 HG1 THR A 73 6.093 20.546 -10.687 1.00 0.00 H new ATOM 0 HG21 THR A 73 6.391 20.072 -7.300 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.851 18.377 -7.252 1.00 0.00 H new ATOM 0 HG23 THR A 73 7.458 18.780 -7.902 1.00 0.00 H new ATOM 1154 N ALA A 74 3.639 16.926 -9.581 1.00 0.00 N ATOM 1155 CA ALA A 74 2.725 15.926 -9.047 1.00 0.00 C ATOM 1156 C ALA A 74 3.030 14.545 -9.636 1.00 0.00 C ATOM 1157 O ALA A 74 3.124 13.565 -8.902 1.00 0.00 O ATOM 1158 CB ALA A 74 1.274 16.345 -9.307 1.00 0.00 C ATOM 0 H ALA A 74 3.193 17.639 -10.158 1.00 0.00 H new ATOM 0 HA ALA A 74 2.866 15.857 -7.968 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.599 15.590 -8.904 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.079 17.302 -8.823 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.110 16.442 -10.380 1.00 0.00 H new ATOM 1164 N LYS A 75 3.158 14.460 -10.963 1.00 0.00 N ATOM 1165 CA LYS A 75 3.336 13.190 -11.659 1.00 0.00 C ATOM 1166 C LYS A 75 4.694 12.543 -11.361 1.00 0.00 C ATOM 1167 O LYS A 75 4.766 11.350 -11.079 1.00 0.00 O ATOM 1168 CB LYS A 75 3.203 13.399 -13.174 1.00 0.00 C ATOM 1169 CG LYS A 75 1.781 13.778 -13.603 1.00 0.00 C ATOM 1170 CD LYS A 75 1.712 14.262 -15.061 1.00 0.00 C ATOM 1171 CE LYS A 75 2.169 13.222 -16.095 1.00 0.00 C ATOM 1172 NZ LYS A 75 3.631 13.231 -16.288 1.00 0.00 N ATOM 0 H LYS A 75 3.141 15.271 -11.581 1.00 0.00 H new ATOM 0 HA LYS A 75 2.558 12.518 -11.296 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.893 14.182 -13.489 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.501 12.486 -13.689 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.126 12.916 -13.479 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.404 14.562 -12.946 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.686 14.555 -15.286 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.328 15.155 -15.165 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.853 12.230 -15.773 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.678 13.420 -17.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.850 13.059 -17.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.013 14.156 -16.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.063 12.485 -15.706 1.00 0.00 H new ATOM 1186 N MET A 76 5.769 13.325 -11.491 1.00 0.00 N ATOM 1187 CA MET A 76 7.151 12.859 -11.473 1.00 0.00 C ATOM 1188 C MET A 76 7.344 11.684 -12.443 1.00 0.00 C ATOM 1189 O MET A 76 8.020 10.706 -12.054 1.00 0.00 O ATOM 1190 CB MET A 76 7.635 12.561 -10.044 1.00 0.00 C ATOM 1191 CG MET A 76 7.418 13.762 -9.118 1.00 0.00 C ATOM 1192 SD MET A 76 8.447 13.800 -7.626 1.00 0.00 S ATOM 1193 CE MET A 76 7.906 12.277 -6.822 1.00 0.00 C ATOM 1194 OXT MET A 76 6.837 11.806 -13.581 1.00 0.00 O ATOM 0 H MET A 76 5.694 14.335 -11.616 1.00 0.00 H new ATOM 0 HA MET A 76 7.790 13.665 -11.833 1.00 0.00 H new ATOM 0 HB2 MET A 76 7.102 11.696 -9.651 1.00 0.00 H new ATOM 0 HB3 MET A 76 8.693 12.301 -10.064 1.00 0.00 H new ATOM 0 HG2 MET A 76 7.601 14.674 -9.687 1.00 0.00 H new ATOM 0 HG3 MET A 76 6.371 13.780 -8.816 1.00 0.00 H new ATOM 0 HE1 MET A 76 8.420 12.168 -5.867 1.00 0.00 H new ATOM 0 HE2 MET A 76 6.830 12.317 -6.653 1.00 0.00 H new ATOM 0 HE3 MET A 76 8.141 11.425 -7.460 1.00 0.00 H new TER 1204 MET A 76