USER MOD reduce.3.24.130724 H: found=0, std=0, add=452, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 452 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 38 SER OG : rot 65:sc= 0.505 USER MOD Set 1.2: A 45 THR OG1 : rot 180:sc= 0.475 USER MOD Set 2.1: A 37 TYR OH : rot 130:sc= 1.02 USER MOD Set 2.2: A 48 LYS NZ :NH3+ 161:sc= 2.09 (180deg=0.344) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0 (180deg=-0.0433) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 160:sc= 1.21 (180deg=0.02) USER MOD Single : A 18 HIS : no HD1:sc= -0.379 X(o=-0.38,f=-0.19) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 TYR OH : rot -114:sc= 0.527 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 174:sc= 0.228 (180deg=0.152) USER MOD Single : A 53 SER OG : rot 67:sc= 0.772 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -27.807 14.133 -18.889 1.00 0.00 N ATOM 2 CA MET A 1 -28.566 15.290 -18.359 1.00 0.00 C ATOM 3 C MET A 1 -27.715 16.554 -18.417 1.00 0.00 C ATOM 4 O MET A 1 -26.689 16.649 -17.739 1.00 0.00 O ATOM 5 CB MET A 1 -29.005 15.032 -16.910 1.00 0.00 C ATOM 6 CG MET A 1 -29.988 13.881 -16.751 1.00 0.00 C ATOM 7 SD MET A 1 -30.517 13.666 -15.040 1.00 0.00 S ATOM 8 CE MET A 1 -31.685 12.319 -15.208 1.00 0.00 C ATOM 0 H1 MET A 1 -28.430 13.302 -18.938 1.00 0.00 H new ATOM 0 H2 MET A 1 -27.452 14.357 -19.841 1.00 0.00 H new ATOM 0 H3 MET A 1 -27.005 13.927 -18.260 1.00 0.00 H new ATOM 0 HA MET A 1 -29.453 15.426 -18.978 1.00 0.00 H new ATOM 0 HB2 MET A 1 -28.121 14.826 -16.306 1.00 0.00 H new ATOM 0 HB3 MET A 1 -29.459 15.940 -16.513 1.00 0.00 H new ATOM 0 HG2 MET A 1 -30.860 14.062 -17.379 1.00 0.00 H new ATOM 0 HG3 MET A 1 -29.526 12.959 -17.105 1.00 0.00 H new ATOM 0 HE1 MET A 1 -32.098 12.072 -14.230 1.00 0.00 H new ATOM 0 HE2 MET A 1 -32.491 12.618 -15.878 1.00 0.00 H new ATOM 0 HE3 MET A 1 -31.177 11.446 -15.619 1.00 0.00 H new ATOM 20 N GLN A 2 -28.133 17.516 -19.234 1.00 0.00 N ATOM 21 CA GLN A 2 -27.423 18.787 -19.348 1.00 0.00 C ATOM 22 C GLN A 2 -27.659 19.639 -18.094 1.00 0.00 C ATOM 23 O GLN A 2 -28.738 20.207 -17.897 1.00 0.00 O ATOM 24 CB GLN A 2 -27.850 19.534 -20.623 1.00 0.00 C ATOM 25 CG GLN A 2 -29.345 19.826 -20.717 1.00 0.00 C ATOM 26 CD GLN A 2 -29.741 20.451 -22.043 1.00 0.00 C ATOM 27 OE1 GLN A 2 -28.940 21.125 -22.691 1.00 0.00 O ATOM 28 NE2 GLN A 2 -30.981 20.238 -22.453 1.00 0.00 N ATOM 0 H GLN A 2 -28.959 17.440 -19.827 1.00 0.00 H new ATOM 0 HA GLN A 2 -26.354 18.588 -19.425 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -27.305 20.476 -20.676 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -27.553 18.945 -21.490 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -29.901 18.899 -20.577 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -29.631 20.495 -19.905 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -31.615 19.674 -21.888 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -31.303 20.638 -23.334 1.00 0.00 H new ATOM 37 N LYS A 3 -26.650 19.692 -17.233 1.00 0.00 N ATOM 38 CA LYS A 3 -26.757 20.382 -15.949 1.00 0.00 C ATOM 39 C LYS A 3 -26.000 21.709 -15.970 1.00 0.00 C ATOM 40 O LYS A 3 -26.491 22.722 -15.469 1.00 0.00 O ATOM 41 CB LYS A 3 -26.219 19.479 -14.829 1.00 0.00 C ATOM 42 CG LYS A 3 -26.968 18.154 -14.704 1.00 0.00 C ATOM 43 CD LYS A 3 -26.341 17.233 -13.660 1.00 0.00 C ATOM 44 CE LYS A 3 -27.122 15.930 -13.519 1.00 0.00 C ATOM 45 NZ LYS A 3 -26.508 15.013 -12.523 1.00 0.00 N ATOM 0 H LYS A 3 -25.740 19.262 -17.401 1.00 0.00 H new ATOM 0 HA LYS A 3 -27.808 20.601 -15.762 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -25.164 19.275 -15.012 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -26.281 20.013 -13.881 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -28.006 18.350 -14.437 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -26.977 17.651 -15.671 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -25.311 17.012 -13.941 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -26.307 17.743 -12.697 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -28.147 16.153 -13.222 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -27.172 15.432 -14.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -27.071 14.141 -12.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -25.539 14.778 -12.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -26.484 15.477 -11.593 1.00 0.00 H new ATOM 59 N ARG A 4 -24.802 21.694 -16.546 1.00 0.00 N ATOM 60 CA ARG A 4 -23.955 22.885 -16.622 1.00 0.00 C ATOM 61 C ARG A 4 -23.322 22.987 -18.007 1.00 0.00 C ATOM 62 O ARG A 4 -23.417 22.051 -18.811 1.00 0.00 O ATOM 63 CB ARG A 4 -22.859 22.831 -15.544 1.00 0.00 C ATOM 64 CG ARG A 4 -23.400 22.742 -14.118 1.00 0.00 C ATOM 65 CD ARG A 4 -22.285 22.656 -13.083 1.00 0.00 C ATOM 66 NE ARG A 4 -22.812 22.467 -11.730 1.00 0.00 N ATOM 67 CZ ARG A 4 -22.089 22.592 -10.614 1.00 0.00 C ATOM 68 NH1 ARG A 4 -20.813 22.955 -10.677 1.00 0.00 N ATOM 69 NH2 ARG A 4 -22.654 22.372 -9.433 1.00 0.00 N ATOM 0 H ARG A 4 -24.391 20.863 -16.971 1.00 0.00 H new ATOM 0 HA ARG A 4 -24.573 23.766 -16.448 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -22.218 21.970 -15.734 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -22.233 23.719 -15.630 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -24.019 23.615 -13.911 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -24.044 21.867 -14.030 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -21.620 21.829 -13.333 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -21.687 23.567 -13.116 1.00 0.00 H new ATOM 0 HE ARG A 4 -23.798 22.223 -11.633 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -20.380 23.140 -11.582 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -20.267 23.049 -9.821 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -23.638 22.108 -9.380 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -22.104 22.467 -8.579 1.00 0.00 H new ATOM 83 N GLU A 5 -22.671 24.110 -18.282 1.00 0.00 N ATOM 84 CA GLU A 5 -22.024 24.321 -19.573 1.00 0.00 C ATOM 85 C GLU A 5 -20.886 25.330 -19.429 1.00 0.00 C ATOM 86 O GLU A 5 -19.722 25.013 -19.684 1.00 0.00 O ATOM 87 CB GLU A 5 -23.051 24.820 -20.610 1.00 0.00 C ATOM 88 CG GLU A 5 -22.811 24.333 -22.040 1.00 0.00 C ATOM 89 CD GLU A 5 -21.414 24.637 -22.564 1.00 0.00 C ATOM 90 OE1 GLU A 5 -21.118 25.817 -22.835 1.00 0.00 O ATOM 91 OE2 GLU A 5 -20.610 23.688 -22.719 1.00 0.00 O ATOM 0 H GLU A 5 -22.576 24.889 -17.630 1.00 0.00 H new ATOM 0 HA GLU A 5 -21.613 23.373 -19.919 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -24.046 24.503 -20.296 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -23.048 25.910 -20.608 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -22.978 23.257 -22.081 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -23.545 24.795 -22.700 1.00 0.00 H new ATOM 98 N LEU A 6 -21.235 26.539 -19.000 1.00 0.00 N ATOM 99 CA LEU A 6 -20.274 27.633 -18.885 1.00 0.00 C ATOM 100 C LEU A 6 -19.212 27.334 -17.826 1.00 0.00 C ATOM 101 O LEU A 6 -19.419 26.500 -16.938 1.00 0.00 O ATOM 102 CB LEU A 6 -21.005 28.939 -18.543 1.00 0.00 C ATOM 103 CG LEU A 6 -22.069 29.385 -19.565 1.00 0.00 C ATOM 104 CD1 LEU A 6 -22.787 30.646 -19.088 1.00 0.00 C ATOM 105 CD2 LEU A 6 -21.439 29.607 -20.941 1.00 0.00 C ATOM 0 H LEU A 6 -22.185 26.788 -18.724 1.00 0.00 H new ATOM 0 HA LEU A 6 -19.769 27.741 -19.845 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -21.484 28.824 -17.571 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -20.266 29.734 -18.442 1.00 0.00 H new ATOM 0 HG LEU A 6 -22.808 28.589 -19.654 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -23.533 30.941 -19.826 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -23.278 30.447 -18.135 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -22.063 31.451 -18.962 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -22.208 29.921 -21.647 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -20.674 30.380 -20.870 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -20.986 28.678 -21.288 1.00 0.00 H new ATOM 117 N TYR A 7 -18.086 28.029 -17.932 1.00 0.00 N ATOM 118 CA TYR A 7 -16.963 27.867 -17.012 1.00 0.00 C ATOM 119 C TYR A 7 -16.266 29.211 -16.803 1.00 0.00 C ATOM 120 O TYR A 7 -16.176 30.019 -17.733 1.00 0.00 O ATOM 121 CB TYR A 7 -15.975 26.824 -17.558 1.00 0.00 C ATOM 122 CG TYR A 7 -15.537 27.084 -18.990 1.00 0.00 C ATOM 123 CD1 TYR A 7 -16.256 26.564 -20.060 1.00 0.00 C ATOM 124 CD2 TYR A 7 -14.410 27.852 -19.273 1.00 0.00 C ATOM 125 CE1 TYR A 7 -15.868 26.799 -21.364 1.00 0.00 C ATOM 126 CE2 TYR A 7 -14.017 28.091 -20.576 1.00 0.00 C ATOM 127 CZ TYR A 7 -14.751 27.563 -21.617 1.00 0.00 C ATOM 128 OH TYR A 7 -14.362 27.798 -22.919 1.00 0.00 O ATOM 0 H TYR A 7 -17.924 28.724 -18.661 1.00 0.00 H new ATOM 0 HA TYR A 7 -17.337 27.514 -16.051 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -15.094 26.802 -16.917 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -16.435 25.837 -17.502 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -17.134 25.965 -19.868 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -13.833 28.268 -18.460 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -16.438 26.385 -22.182 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -13.140 28.688 -20.778 1.00 0.00 H new ATOM 0 HH TYR A 7 -13.556 28.355 -22.924 1.00 0.00 H new ATOM 138 N GLU A 8 -15.780 29.443 -15.586 1.00 0.00 N ATOM 139 CA GLU A 8 -15.139 30.708 -15.228 1.00 0.00 C ATOM 140 C GLU A 8 -13.621 30.627 -15.397 1.00 0.00 C ATOM 141 O GLU A 8 -12.945 29.878 -14.686 1.00 0.00 O ATOM 142 CB GLU A 8 -15.479 31.086 -13.780 1.00 0.00 C ATOM 143 CG GLU A 8 -16.970 31.276 -13.523 1.00 0.00 C ATOM 144 CD GLU A 8 -17.588 32.336 -14.422 1.00 0.00 C ATOM 145 OE1 GLU A 8 -17.253 33.530 -14.263 1.00 0.00 O ATOM 146 OE2 GLU A 8 -18.415 31.983 -15.288 1.00 0.00 O ATOM 0 H GLU A 8 -15.818 28.766 -14.824 1.00 0.00 H new ATOM 0 HA GLU A 8 -15.520 31.476 -15.901 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -15.102 30.309 -13.114 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -14.956 32.007 -13.523 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -17.485 30.328 -13.678 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -17.123 31.555 -12.480 1.00 0.00 H new ATOM 153 N ILE A 9 -13.098 31.392 -16.354 1.00 0.00 N ATOM 154 CA ILE A 9 -11.652 31.500 -16.572 1.00 0.00 C ATOM 155 C ILE A 9 -11.219 32.965 -16.708 1.00 0.00 C ATOM 156 O ILE A 9 -10.052 33.297 -16.484 1.00 0.00 O ATOM 157 CB ILE A 9 -11.197 30.730 -17.840 1.00 0.00 C ATOM 158 CG1 ILE A 9 -11.930 31.258 -19.087 1.00 0.00 C ATOM 159 CG2 ILE A 9 -11.416 29.227 -17.673 1.00 0.00 C ATOM 160 CD1 ILE A 9 -11.476 30.620 -20.385 1.00 0.00 C ATOM 0 H ILE A 9 -13.658 31.952 -16.997 1.00 0.00 H new ATOM 0 HA ILE A 9 -11.178 31.055 -15.697 1.00 0.00 H new ATOM 0 HB ILE A 9 -10.129 30.899 -17.977 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -13.000 31.089 -18.966 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -11.783 32.336 -19.153 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -11.089 28.709 -18.575 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -10.840 28.868 -16.820 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -12.475 29.030 -17.505 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.039 31.045 -21.216 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -10.413 30.811 -20.532 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -11.649 29.545 -20.342 1.00 0.00 H new ATOM 172 N ALA A 10 -12.159 33.835 -17.077 1.00 0.00 N ATOM 173 CA ALA A 10 -11.856 35.242 -17.338 1.00 0.00 C ATOM 174 C ALA A 10 -11.627 36.021 -16.042 1.00 0.00 C ATOM 175 O ALA A 10 -12.531 36.146 -15.213 1.00 0.00 O ATOM 176 CB ALA A 10 -12.977 35.881 -18.154 1.00 0.00 C ATOM 0 H ALA A 10 -13.141 33.589 -17.202 1.00 0.00 H new ATOM 0 HA ALA A 10 -10.931 35.282 -17.912 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -12.739 36.928 -18.341 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -13.080 35.357 -19.104 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -13.913 35.815 -17.600 1.00 0.00 H new ATOM 182 N ASP A 11 -10.409 36.534 -15.880 1.00 0.00 N ATOM 183 CA ASP A 11 -10.047 37.368 -14.734 1.00 0.00 C ATOM 184 C ASP A 11 -8.689 38.014 -14.999 1.00 0.00 C ATOM 185 O ASP A 11 -8.585 39.232 -15.182 1.00 0.00 O ATOM 186 CB ASP A 11 -10.004 36.537 -13.440 1.00 0.00 C ATOM 187 CG ASP A 11 -9.741 37.387 -12.204 1.00 0.00 C ATOM 188 OD1 ASP A 11 -10.685 38.042 -11.714 1.00 0.00 O ATOM 189 OD2 ASP A 11 -8.596 37.395 -11.705 1.00 0.00 O ATOM 0 H ASP A 11 -9.645 36.384 -16.539 1.00 0.00 H new ATOM 0 HA ASP A 11 -10.802 38.143 -14.603 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -10.951 36.011 -13.319 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -9.226 35.778 -13.526 1.00 0.00 H new ATOM 194 N GLY A 12 -7.658 37.179 -15.041 1.00 0.00 N ATOM 195 CA GLY A 12 -6.335 37.624 -15.438 1.00 0.00 C ATOM 196 C GLY A 12 -5.676 38.566 -14.445 1.00 0.00 C ATOM 197 O GLY A 12 -5.008 38.118 -13.507 1.00 0.00 O ATOM 0 H GLY A 12 -7.717 36.189 -14.804 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -5.696 36.752 -15.575 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -6.406 38.123 -16.405 1.00 0.00 H new ATOM 201 N LYS A 13 -5.866 39.869 -14.662 1.00 0.00 N ATOM 202 CA LYS A 13 -5.193 40.912 -13.882 1.00 0.00 C ATOM 203 C LYS A 13 -5.456 40.756 -12.383 1.00 0.00 C ATOM 204 O LYS A 13 -6.598 40.840 -11.930 1.00 0.00 O ATOM 205 CB LYS A 13 -5.654 42.303 -14.348 1.00 0.00 C ATOM 206 CG LYS A 13 -5.012 43.459 -13.578 1.00 0.00 C ATOM 207 CD LYS A 13 -5.579 44.811 -14.005 1.00 0.00 C ATOM 208 CE LYS A 13 -4.970 45.956 -13.206 1.00 0.00 C ATOM 209 NZ LYS A 13 -5.585 47.264 -13.560 1.00 0.00 N ATOM 0 H LYS A 13 -6.490 40.232 -15.383 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.121 40.807 -14.049 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.426 42.414 -15.408 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.737 42.369 -14.246 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.174 43.318 -12.509 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.934 43.449 -13.741 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.388 44.967 -15.067 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.661 44.810 -13.872 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.104 45.768 -12.141 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.896 45.997 -13.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.145 48.019 -12.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.435 47.456 -14.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.605 47.233 -13.361 1.00 0.00 H new ATOM 223 N LEU A 14 -4.391 40.531 -11.625 1.00 0.00 N ATOM 224 CA LEU A 14 -4.476 40.428 -10.174 1.00 0.00 C ATOM 225 C LEU A 14 -4.001 41.729 -9.532 1.00 0.00 C ATOM 226 O LEU A 14 -2.833 42.104 -9.654 1.00 0.00 O ATOM 227 CB LEU A 14 -3.633 39.247 -9.672 1.00 0.00 C ATOM 228 CG LEU A 14 -4.076 37.860 -10.172 1.00 0.00 C ATOM 229 CD1 LEU A 14 -3.134 36.773 -9.656 1.00 0.00 C ATOM 230 CD2 LEU A 14 -5.520 37.572 -9.757 1.00 0.00 C ATOM 0 H LEU A 14 -3.448 40.415 -11.996 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.515 40.254 -9.893 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.597 39.409 -9.971 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.653 39.245 -8.582 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.030 37.858 -11.261 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.465 35.801 -10.021 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.123 36.969 -10.012 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.141 36.773 -8.566 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.813 36.587 -10.120 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.598 37.596 -8.670 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.179 38.328 -10.185 1.00 0.00 H new ATOM 242 N VAL A 15 -4.917 42.421 -8.865 1.00 0.00 N ATOM 243 CA VAL A 15 -4.613 43.698 -8.233 1.00 0.00 C ATOM 244 C VAL A 15 -4.060 43.478 -6.825 1.00 0.00 C ATOM 245 O VAL A 15 -4.764 42.970 -5.945 1.00 0.00 O ATOM 246 CB VAL A 15 -5.873 44.599 -8.160 1.00 0.00 C ATOM 247 CG1 VAL A 15 -5.547 45.959 -7.540 1.00 0.00 C ATOM 248 CG2 VAL A 15 -6.497 44.763 -9.547 1.00 0.00 C ATOM 0 H VAL A 15 -5.883 42.116 -8.748 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.861 44.199 -8.842 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.601 44.110 -7.513 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.450 46.568 -7.503 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.164 45.816 -6.530 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.794 46.464 -8.145 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.380 45.398 -9.476 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.773 45.222 -10.220 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.784 43.786 -9.935 1.00 0.00 H new ATOM 258 N ARG A 16 -2.796 43.847 -6.629 1.00 0.00 N ATOM 259 CA ARG A 16 -2.130 43.692 -5.337 1.00 0.00 C ATOM 260 C ARG A 16 -2.303 44.947 -4.475 1.00 0.00 C ATOM 261 O ARG A 16 -3.277 45.072 -3.736 1.00 0.00 O ATOM 262 CB ARG A 16 -0.633 43.372 -5.519 1.00 0.00 C ATOM 263 CG ARG A 16 -0.330 41.917 -5.876 1.00 0.00 C ATOM 264 CD ARG A 16 -0.825 41.536 -7.267 1.00 0.00 C ATOM 265 NE ARG A 16 -0.545 40.130 -7.571 1.00 0.00 N ATOM 266 CZ ARG A 16 -0.298 39.653 -8.790 1.00 0.00 C ATOM 267 NH1 ARG A 16 -0.310 40.459 -9.845 1.00 0.00 N ATOM 268 NH2 ARG A 16 -0.045 38.361 -8.950 1.00 0.00 N ATOM 0 H ARG A 16 -2.209 44.258 -7.354 1.00 0.00 H new ATOM 0 HA ARG A 16 -2.600 42.853 -4.824 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -0.230 44.015 -6.301 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.107 43.623 -4.598 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.746 41.750 -5.819 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.794 41.262 -5.138 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -1.898 41.717 -7.335 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -0.347 42.172 -8.011 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.539 39.470 -6.794 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.509 41.452 -9.726 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.120 40.085 -10.775 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -0.040 37.738 -8.142 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.145 37.990 -9.881 1.00 0.00 H new ATOM 282 N LYS A 17 -1.372 45.891 -4.599 1.00 0.00 N ATOM 283 CA LYS A 17 -1.378 47.090 -3.767 1.00 0.00 C ATOM 284 C LYS A 17 -2.098 48.232 -4.477 1.00 0.00 C ATOM 285 O LYS A 17 -1.468 49.149 -5.011 1.00 0.00 O ATOM 286 CB LYS A 17 0.057 47.493 -3.395 1.00 0.00 C ATOM 287 CG LYS A 17 0.731 46.531 -2.421 1.00 0.00 C ATOM 288 CD LYS A 17 2.190 46.909 -2.173 1.00 0.00 C ATOM 289 CE LYS A 17 2.798 46.129 -1.016 1.00 0.00 C ATOM 290 NZ LYS A 17 2.727 44.659 -1.224 1.00 0.00 N ATOM 0 H LYS A 17 -0.604 45.848 -5.269 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.919 46.870 -2.847 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.655 47.554 -4.304 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.043 48.490 -2.955 1.00 0.00 H new ATOM 0 HG2 LYS A 17 0.189 46.531 -1.475 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.680 45.517 -2.817 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.770 46.725 -3.077 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.256 47.977 -1.964 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.839 46.425 -0.889 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.278 46.388 -0.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.425 44.188 -0.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.773 44.320 -0.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.933 44.439 -2.219 1.00 0.00 H new ATOM 304 N HIS A 18 -3.420 48.133 -4.503 1.00 0.00 N ATOM 305 CA HIS A 18 -4.284 49.151 -5.100 1.00 0.00 C ATOM 306 C HIS A 18 -5.735 48.794 -4.794 1.00 0.00 C ATOM 307 O HIS A 18 -6.656 49.130 -5.541 1.00 0.00 O ATOM 308 CB HIS A 18 -4.041 49.239 -6.622 1.00 0.00 C ATOM 309 CG HIS A 18 -4.710 50.408 -7.291 1.00 0.00 C ATOM 310 ND1 HIS A 18 -4.217 51.694 -7.234 1.00 0.00 N ATOM 311 CD2 HIS A 18 -5.836 50.478 -8.041 1.00 0.00 C ATOM 312 CE1 HIS A 18 -5.008 52.500 -7.914 1.00 0.00 C ATOM 313 NE2 HIS A 18 -5.997 51.786 -8.414 1.00 0.00 N ATOM 0 H HIS A 18 -3.929 47.342 -4.109 1.00 0.00 H new ATOM 0 HA HIS A 18 -4.056 50.130 -4.677 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -2.968 49.297 -6.804 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -4.394 48.319 -7.088 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -6.486 49.655 -8.297 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -4.869 53.564 -8.040 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -6.759 52.149 -8.986 1.00 0.00 H new ATOM 322 N ARG A 19 -5.925 48.118 -3.665 1.00 0.00 N ATOM 323 CA ARG A 19 -7.232 47.619 -3.262 1.00 0.00 C ATOM 324 C ARG A 19 -7.985 48.692 -2.485 1.00 0.00 C ATOM 325 O ARG A 19 -7.495 49.191 -1.471 1.00 0.00 O ATOM 326 CB ARG A 19 -7.069 46.363 -2.389 1.00 0.00 C ATOM 327 CG ARG A 19 -6.226 45.265 -3.034 1.00 0.00 C ATOM 328 CD ARG A 19 -6.932 44.614 -4.219 1.00 0.00 C ATOM 329 NE ARG A 19 -8.015 43.723 -3.794 1.00 0.00 N ATOM 330 CZ ARG A 19 -8.116 42.442 -4.159 1.00 0.00 C ATOM 331 NH1 ARG A 19 -7.207 41.894 -4.964 1.00 0.00 N ATOM 332 NH2 ARG A 19 -9.121 41.705 -3.713 1.00 0.00 N ATOM 0 H ARG A 19 -5.177 47.902 -3.006 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.801 47.362 -4.156 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.612 46.648 -1.441 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.056 45.962 -2.159 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.277 45.686 -3.366 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.994 44.504 -2.289 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -7.336 45.389 -4.870 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -6.208 44.049 -4.806 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.736 44.104 -3.182 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.426 42.453 -5.307 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.292 40.915 -5.238 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.818 42.115 -3.091 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -9.199 40.727 -3.991 1.00 0.00 H new ATOM 346 N PHE A 20 -9.161 49.059 -2.966 1.00 0.00 N ATOM 347 CA PHE A 20 -10.015 50.003 -2.260 1.00 0.00 C ATOM 348 C PHE A 20 -11.104 49.247 -1.513 1.00 0.00 C ATOM 349 O PHE A 20 -11.708 48.321 -2.055 1.00 0.00 O ATOM 350 CB PHE A 20 -10.617 51.026 -3.232 1.00 0.00 C ATOM 351 CG PHE A 20 -9.609 52.031 -3.741 1.00 0.00 C ATOM 352 CD1 PHE A 20 -8.654 51.672 -4.683 1.00 0.00 C ATOM 353 CD2 PHE A 20 -9.610 53.334 -3.262 1.00 0.00 C ATOM 354 CE1 PHE A 20 -7.727 52.591 -5.138 1.00 0.00 C ATOM 355 CE2 PHE A 20 -8.685 54.255 -3.713 1.00 0.00 C ATOM 356 CZ PHE A 20 -7.743 53.884 -4.652 1.00 0.00 C ATOM 0 H PHE A 20 -9.548 48.717 -3.845 1.00 0.00 H new ATOM 0 HA PHE A 20 -9.414 50.554 -1.537 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -11.054 50.498 -4.080 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -11.429 51.556 -2.734 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -8.635 50.662 -5.065 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -10.344 53.631 -2.527 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -6.991 52.298 -5.872 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -8.698 55.265 -3.331 1.00 0.00 H new ATOM 0 HZ PHE A 20 -7.020 54.604 -5.006 1.00 0.00 H new ATOM 366 N CYS A 21 -11.330 49.640 -0.262 1.00 0.00 N ATOM 367 CA CYS A 21 -12.270 48.954 0.621 1.00 0.00 C ATOM 368 C CYS A 21 -13.629 48.784 -0.058 1.00 0.00 C ATOM 369 O CYS A 21 -14.183 49.757 -0.558 1.00 0.00 O ATOM 370 CB CYS A 21 -12.436 49.749 1.912 1.00 0.00 C ATOM 371 SG CYS A 21 -13.468 48.939 3.177 1.00 0.00 S ATOM 0 H CYS A 21 -10.868 50.441 0.168 1.00 0.00 H new ATOM 0 HA CYS A 21 -11.872 47.965 0.848 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -11.450 49.940 2.335 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -12.873 50.718 1.672 1.00 0.00 H new ATOM 376 N PRO A 22 -14.183 47.551 -0.054 1.00 0.00 N ATOM 377 CA PRO A 22 -15.417 47.212 -0.770 1.00 0.00 C ATOM 378 C PRO A 22 -16.451 48.339 -0.774 1.00 0.00 C ATOM 379 O PRO A 22 -16.916 48.761 -1.836 1.00 0.00 O ATOM 380 CB PRO A 22 -15.955 46.005 0.004 1.00 0.00 C ATOM 381 CG PRO A 22 -14.773 45.383 0.682 1.00 0.00 C ATOM 382 CD PRO A 22 -13.636 46.381 0.655 1.00 0.00 C ATOM 0 HA PRO A 22 -15.219 47.021 -1.825 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -16.705 46.313 0.733 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -16.437 45.295 -0.668 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -15.021 45.116 1.709 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -14.484 44.463 0.174 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -13.315 46.643 1.663 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -12.766 45.976 0.139 1.00 0.00 H new ATOM 390 N ARG A 23 -16.797 48.834 0.417 1.00 0.00 N ATOM 391 CA ARG A 23 -17.850 49.840 0.541 1.00 0.00 C ATOM 392 C ARG A 23 -17.282 51.262 0.636 1.00 0.00 C ATOM 393 O ARG A 23 -17.828 52.186 0.034 1.00 0.00 O ATOM 394 CB ARG A 23 -18.752 49.544 1.747 1.00 0.00 C ATOM 395 CG ARG A 23 -19.255 48.102 1.796 1.00 0.00 C ATOM 396 CD ARG A 23 -20.593 47.973 2.520 1.00 0.00 C ATOM 397 NE ARG A 23 -20.607 48.649 3.823 1.00 0.00 N ATOM 398 CZ ARG A 23 -21.353 48.255 4.858 1.00 0.00 C ATOM 399 NH1 ARG A 23 -22.058 47.132 4.783 1.00 0.00 N ATOM 400 NH2 ARG A 23 -21.374 48.971 5.973 1.00 0.00 N ATOM 0 H ARG A 23 -16.367 48.557 1.300 1.00 0.00 H new ATOM 0 HA ARG A 23 -18.449 49.786 -0.368 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -18.202 49.759 2.663 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -19.608 50.218 1.724 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -19.358 47.722 0.780 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -18.514 47.479 2.296 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -21.381 48.389 1.892 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -20.823 46.917 2.662 1.00 0.00 H new ATOM 0 HE ARG A 23 -20.012 49.468 3.945 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -22.030 46.568 3.933 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -22.627 46.833 5.575 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -20.820 49.825 6.042 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -21.944 48.669 6.763 1.00 0.00 H new ATOM 414 N CYS A 24 -16.186 51.444 1.385 1.00 0.00 N ATOM 415 CA CYS A 24 -15.580 52.783 1.538 1.00 0.00 C ATOM 416 C CYS A 24 -14.804 53.187 0.288 1.00 0.00 C ATOM 417 O CYS A 24 -14.244 54.284 0.242 1.00 0.00 O ATOM 418 CB CYS A 24 -14.604 52.855 2.721 1.00 0.00 C ATOM 419 SG CYS A 24 -15.190 52.169 4.288 1.00 0.00 S ATOM 0 H CYS A 24 -15.705 50.699 1.888 1.00 0.00 H new ATOM 0 HA CYS A 24 -16.416 53.460 1.711 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -13.688 52.334 2.441 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -14.340 53.900 2.883 1.00 0.00 H new ATOM 424 N GLY A 25 -14.757 52.286 -0.698 1.00 0.00 N ATOM 425 CA GLY A 25 -13.946 52.479 -1.894 1.00 0.00 C ATOM 426 C GLY A 25 -13.924 53.914 -2.385 1.00 0.00 C ATOM 427 O GLY A 25 -12.845 54.494 -2.543 1.00 0.00 O ATOM 0 H GLY A 25 -15.278 51.409 -0.686 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -12.925 52.159 -1.687 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -14.326 51.837 -2.689 1.00 0.00 H new ATOM 431 N PRO A 26 -15.096 54.515 -2.657 1.00 0.00 N ATOM 432 CA PRO A 26 -15.184 55.934 -3.012 1.00 0.00 C ATOM 433 C PRO A 26 -14.678 56.835 -1.881 1.00 0.00 C ATOM 434 O PRO A 26 -15.458 57.305 -1.045 1.00 0.00 O ATOM 435 CB PRO A 26 -16.684 56.162 -3.272 1.00 0.00 C ATOM 436 CG PRO A 26 -17.248 54.800 -3.510 1.00 0.00 C ATOM 437 CD PRO A 26 -16.416 53.859 -2.680 1.00 0.00 C ATOM 0 HA PRO A 26 -14.564 56.180 -3.874 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -17.163 56.644 -2.420 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -16.841 56.810 -4.134 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -18.297 54.755 -3.218 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -17.200 54.536 -4.566 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -16.824 53.738 -1.676 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -16.365 52.865 -3.125 1.00 0.00 H new ATOM 445 N GLY A 27 -13.360 57.029 -1.828 1.00 0.00 N ATOM 446 CA GLY A 27 -12.769 57.946 -0.868 1.00 0.00 C ATOM 447 C GLY A 27 -11.818 57.271 0.109 1.00 0.00 C ATOM 448 O GLY A 27 -10.929 57.925 0.663 1.00 0.00 O ATOM 0 H GLY A 27 -12.688 56.563 -2.438 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -12.231 58.726 -1.406 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -13.565 58.436 -0.308 1.00 0.00 H new ATOM 452 N VAL A 28 -11.991 55.967 0.333 1.00 0.00 N ATOM 453 CA VAL A 28 -11.149 55.236 1.287 1.00 0.00 C ATOM 454 C VAL A 28 -10.684 53.898 0.709 1.00 0.00 C ATOM 455 O VAL A 28 -11.495 53.040 0.346 1.00 0.00 O ATOM 456 CB VAL A 28 -11.882 54.975 2.628 1.00 0.00 C ATOM 457 CG1 VAL A 28 -10.953 54.285 3.628 1.00 0.00 C ATOM 458 CG2 VAL A 28 -12.443 56.274 3.209 1.00 0.00 C ATOM 0 H VAL A 28 -12.700 55.397 -0.128 1.00 0.00 H new ATOM 0 HA VAL A 28 -10.284 55.871 1.477 1.00 0.00 H new ATOM 0 HB VAL A 28 -12.721 54.309 2.429 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -11.488 54.112 4.562 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -10.621 53.331 3.218 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.087 54.920 3.818 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -12.952 56.062 4.149 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -11.627 56.975 3.388 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -13.150 56.712 2.505 1.00 0.00 H new ATOM 468 N PHE A 29 -9.369 53.727 0.657 1.00 0.00 N ATOM 469 CA PHE A 29 -8.742 52.513 0.140 1.00 0.00 C ATOM 470 C PHE A 29 -8.772 51.382 1.178 1.00 0.00 C ATOM 471 O PHE A 29 -9.535 51.429 2.150 1.00 0.00 O ATOM 472 CB PHE A 29 -7.289 52.821 -0.268 1.00 0.00 C ATOM 473 CG PHE A 29 -6.452 53.384 0.860 1.00 0.00 C ATOM 474 CD1 PHE A 29 -6.501 54.737 1.171 1.00 0.00 C ATOM 475 CD2 PHE A 29 -5.625 52.561 1.613 1.00 0.00 C ATOM 476 CE1 PHE A 29 -5.746 55.255 2.204 1.00 0.00 C ATOM 477 CE2 PHE A 29 -4.868 53.075 2.648 1.00 0.00 C ATOM 478 CZ PHE A 29 -4.928 54.423 2.944 1.00 0.00 C ATOM 0 H PHE A 29 -8.702 54.430 0.974 1.00 0.00 H new ATOM 0 HA PHE A 29 -9.305 52.178 -0.731 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.822 51.907 -0.636 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.295 53.531 -1.095 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -7.139 55.393 0.597 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.573 51.506 1.387 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -5.795 56.309 2.433 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.229 52.423 3.226 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.336 54.826 3.753 1.00 0.00 H new ATOM 488 N LEU A 30 -7.962 50.353 0.941 1.00 0.00 N ATOM 489 CA LEU A 30 -7.771 49.260 1.891 1.00 0.00 C ATOM 490 C LEU A 30 -6.273 49.056 2.103 1.00 0.00 C ATOM 491 O LEU A 30 -5.569 48.601 1.198 1.00 0.00 O ATOM 492 CB LEU A 30 -8.419 47.969 1.363 1.00 0.00 C ATOM 493 CG LEU A 30 -8.426 46.779 2.339 1.00 0.00 C ATOM 494 CD1 LEU A 30 -9.293 47.081 3.562 1.00 0.00 C ATOM 495 CD2 LEU A 30 -8.904 45.507 1.637 1.00 0.00 C ATOM 0 H LEU A 30 -7.419 50.253 0.083 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.247 49.509 2.839 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.448 48.190 1.081 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.897 47.667 0.455 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.404 46.617 2.682 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.282 46.225 4.236 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -8.900 47.956 4.080 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.316 47.278 3.243 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.901 44.678 2.345 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.915 45.658 1.259 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -8.237 45.277 0.806 1.00 0.00 H new ATOM 507 N ALA A 31 -5.786 49.419 3.283 1.00 0.00 N ATOM 508 CA ALA A 31 -4.357 49.386 3.568 1.00 0.00 C ATOM 509 C ALA A 31 -3.856 47.956 3.738 1.00 0.00 C ATOM 510 O ALA A 31 -4.217 47.276 4.704 1.00 0.00 O ATOM 511 CB ALA A 31 -4.054 50.206 4.819 1.00 0.00 C ATOM 0 H ALA A 31 -6.362 49.741 4.061 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.833 49.823 2.718 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.984 50.175 5.024 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.364 51.239 4.661 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.598 49.790 5.667 1.00 0.00 H new ATOM 517 N GLU A 32 -3.041 47.495 2.792 1.00 0.00 N ATOM 518 CA GLU A 32 -2.408 46.190 2.910 1.00 0.00 C ATOM 519 C GLU A 32 -1.226 46.271 3.870 1.00 0.00 C ATOM 520 O GLU A 32 -0.392 47.176 3.776 1.00 0.00 O ATOM 521 CB GLU A 32 -1.914 45.655 1.555 1.00 0.00 C ATOM 522 CG GLU A 32 -1.251 44.281 1.679 1.00 0.00 C ATOM 523 CD GLU A 32 -0.575 43.797 0.405 1.00 0.00 C ATOM 524 OE1 GLU A 32 -1.249 43.181 -0.444 1.00 0.00 O ATOM 525 OE2 GLU A 32 0.650 43.994 0.266 1.00 0.00 O ATOM 0 H GLU A 32 -2.806 48.005 1.940 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.163 45.502 3.290 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.755 45.589 0.865 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.204 46.361 1.125 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.511 44.318 2.478 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.005 43.552 1.976 1.00 0.00 H new ATOM 532 N HIS A 33 -1.174 45.331 4.796 1.00 0.00 N ATOM 533 CA HIS A 33 -0.044 45.182 5.699 1.00 0.00 C ATOM 534 C HIS A 33 0.465 43.751 5.583 1.00 0.00 C ATOM 535 O HIS A 33 -0.280 42.867 5.150 1.00 0.00 O ATOM 536 CB HIS A 33 -0.455 45.498 7.146 1.00 0.00 C ATOM 537 CG HIS A 33 -1.078 46.850 7.315 1.00 0.00 C ATOM 538 ND1 HIS A 33 -0.353 47.986 7.595 1.00 0.00 N ATOM 539 CD2 HIS A 33 -2.373 47.241 7.240 1.00 0.00 C ATOM 540 CE1 HIS A 33 -1.171 49.018 7.684 1.00 0.00 C ATOM 541 NE2 HIS A 33 -2.401 48.593 7.473 1.00 0.00 N ATOM 0 H HIS A 33 -1.916 44.647 4.945 1.00 0.00 H new ATOM 0 HA HIS A 33 0.745 45.883 5.428 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -1.158 44.739 7.488 1.00 0.00 H new ATOM 0 HB3 HIS A 33 0.424 45.430 7.787 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -3.223 46.608 7.035 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.882 50.037 7.894 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -3.238 49.175 7.482 1.00 0.00 H new ATOM 550 N ALA A 34 1.716 43.522 5.967 1.00 0.00 N ATOM 551 CA ALA A 34 2.350 42.211 5.808 1.00 0.00 C ATOM 552 C ALA A 34 1.514 41.091 6.432 1.00 0.00 C ATOM 553 O ALA A 34 1.499 39.963 5.932 1.00 0.00 O ATOM 554 CB ALA A 34 3.749 42.225 6.416 1.00 0.00 C ATOM 0 H ALA A 34 2.316 44.228 6.393 1.00 0.00 H new ATOM 0 HA ALA A 34 2.422 42.010 4.739 1.00 0.00 H new ATOM 0 HB1 ALA A 34 4.210 41.245 6.291 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.356 42.978 5.914 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.682 42.462 7.478 1.00 0.00 H new ATOM 560 N ASP A 35 0.812 41.413 7.512 1.00 0.00 N ATOM 561 CA ASP A 35 0.045 40.417 8.265 1.00 0.00 C ATOM 562 C ASP A 35 -1.420 40.372 7.833 1.00 0.00 C ATOM 563 O ASP A 35 -2.080 39.335 7.966 1.00 0.00 O ATOM 564 CB ASP A 35 0.121 40.712 9.773 1.00 0.00 C ATOM 565 CG ASP A 35 1.540 40.647 10.316 1.00 0.00 C ATOM 566 OD1 ASP A 35 2.040 39.528 10.561 1.00 0.00 O ATOM 567 OD2 ASP A 35 2.166 41.717 10.502 1.00 0.00 O ATOM 0 H ASP A 35 0.756 42.359 7.890 1.00 0.00 H new ATOM 0 HA ASP A 35 0.491 39.445 8.053 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.292 41.702 9.966 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.502 39.997 10.310 1.00 0.00 H new ATOM 572 N ARG A 36 -1.935 41.485 7.307 1.00 0.00 N ATOM 573 CA ARG A 36 -3.368 41.600 7.021 1.00 0.00 C ATOM 574 C ARG A 36 -3.705 42.918 6.323 1.00 0.00 C ATOM 575 O ARG A 36 -2.897 43.843 6.287 1.00 0.00 O ATOM 576 CB ARG A 36 -4.166 41.504 8.334 1.00 0.00 C ATOM 577 CG ARG A 36 -3.728 42.535 9.376 1.00 0.00 C ATOM 578 CD ARG A 36 -4.473 42.389 10.697 1.00 0.00 C ATOM 579 NE ARG A 36 -4.048 43.402 11.668 1.00 0.00 N ATOM 580 CZ ARG A 36 -4.801 43.859 12.672 1.00 0.00 C ATOM 581 NH1 ARG A 36 -6.028 43.394 12.865 1.00 0.00 N ATOM 582 NH2 ARG A 36 -4.311 44.774 13.495 1.00 0.00 N ATOM 0 H ARG A 36 -1.388 42.313 7.072 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.638 40.784 6.351 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -5.226 41.640 8.119 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.051 40.503 8.750 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.657 42.433 9.554 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -3.891 43.537 8.980 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.545 42.478 10.523 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.298 41.394 11.107 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.108 43.786 11.570 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.406 42.679 12.243 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.593 43.751 13.635 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.363 45.126 13.360 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.882 45.127 14.263 1.00 0.00 H new ATOM 596 N TYR A 37 -4.916 42.988 5.783 1.00 0.00 N ATOM 597 CA TYR A 37 -5.460 44.220 5.213 1.00 0.00 C ATOM 598 C TYR A 37 -6.348 44.878 6.267 1.00 0.00 C ATOM 599 O TYR A 37 -6.987 44.175 7.050 1.00 0.00 O ATOM 600 CB TYR A 37 -6.303 43.916 3.959 1.00 0.00 C ATOM 601 CG TYR A 37 -5.651 42.959 2.972 1.00 0.00 C ATOM 602 CD1 TYR A 37 -5.855 41.586 3.073 1.00 0.00 C ATOM 603 CD2 TYR A 37 -4.845 43.424 1.938 1.00 0.00 C ATOM 604 CE1 TYR A 37 -5.275 40.709 2.178 1.00 0.00 C ATOM 605 CE2 TYR A 37 -4.261 42.550 1.039 1.00 0.00 C ATOM 606 CZ TYR A 37 -4.480 41.194 1.163 1.00 0.00 C ATOM 607 OH TYR A 37 -3.898 40.318 0.269 1.00 0.00 O ATOM 0 H TYR A 37 -5.551 42.192 5.727 1.00 0.00 H new ATOM 0 HA TYR A 37 -4.641 44.879 4.925 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -7.259 43.497 4.273 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -6.519 44.854 3.447 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -6.478 41.199 3.866 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -4.672 44.485 1.835 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -5.444 39.647 2.273 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -3.636 42.928 0.243 1.00 0.00 H new ATOM 0 HH TYR A 37 -4.077 40.618 -0.647 1.00 0.00 H new ATOM 617 N SER A 38 -6.394 46.205 6.304 1.00 0.00 N ATOM 618 CA SER A 38 -7.208 46.896 7.303 1.00 0.00 C ATOM 619 C SER A 38 -7.797 48.192 6.747 1.00 0.00 C ATOM 620 O SER A 38 -7.346 48.712 5.722 1.00 0.00 O ATOM 621 CB SER A 38 -6.379 47.176 8.565 1.00 0.00 C ATOM 622 OG SER A 38 -7.192 47.679 9.618 1.00 0.00 O ATOM 0 H SER A 38 -5.887 46.818 5.666 1.00 0.00 H new ATOM 0 HA SER A 38 -8.040 46.243 7.567 1.00 0.00 H new ATOM 0 HB2 SER A 38 -5.886 46.259 8.890 1.00 0.00 H new ATOM 0 HB3 SER A 38 -5.593 47.896 8.334 1.00 0.00 H new ATOM 0 HG SER A 38 -7.832 46.990 9.895 1.00 0.00 H new ATOM 628 N CYS A 39 -8.827 48.690 7.428 1.00 0.00 N ATOM 629 CA CYS A 39 -9.529 49.906 7.026 1.00 0.00 C ATOM 630 C CYS A 39 -9.835 50.786 8.233 1.00 0.00 C ATOM 631 O CYS A 39 -10.730 50.468 9.019 1.00 0.00 O ATOM 632 CB CYS A 39 -10.841 49.537 6.338 1.00 0.00 C ATOM 633 SG CYS A 39 -11.943 50.941 5.966 1.00 0.00 S ATOM 0 H CYS A 39 -9.199 48.261 8.275 1.00 0.00 H new ATOM 0 HA CYS A 39 -8.885 50.458 6.341 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -10.611 49.019 5.407 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -11.379 48.831 6.971 1.00 0.00 H new ATOM 638 N GLY A 40 -9.103 51.891 8.363 1.00 0.00 N ATOM 639 CA GLY A 40 -9.354 52.849 9.431 1.00 0.00 C ATOM 640 C GLY A 40 -10.593 53.689 9.168 1.00 0.00 C ATOM 641 O GLY A 40 -10.509 54.909 9.033 1.00 0.00 O ATOM 0 H GLY A 40 -8.334 52.142 7.742 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.472 52.316 10.375 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.489 53.504 9.540 1.00 0.00 H new ATOM 645 N ARG A 41 -11.744 53.020 9.101 1.00 0.00 N ATOM 646 CA ARG A 41 -13.033 53.660 8.834 1.00 0.00 C ATOM 647 C ARG A 41 -14.173 52.766 9.324 1.00 0.00 C ATOM 648 O ARG A 41 -14.811 53.060 10.336 1.00 0.00 O ATOM 649 CB ARG A 41 -13.209 53.973 7.333 1.00 0.00 C ATOM 650 CG ARG A 41 -12.590 55.298 6.900 1.00 0.00 C ATOM 651 CD ARG A 41 -13.245 56.480 7.606 1.00 0.00 C ATOM 652 NE ARG A 41 -12.605 57.753 7.276 1.00 0.00 N ATOM 653 CZ ARG A 41 -13.112 58.946 7.599 1.00 0.00 C ATOM 654 NH1 ARG A 41 -14.288 59.032 8.207 1.00 0.00 N ATOM 655 NH2 ARG A 41 -12.448 60.058 7.306 1.00 0.00 N ATOM 0 H ARG A 41 -11.809 52.010 9.231 1.00 0.00 H new ATOM 0 HA ARG A 41 -13.057 54.605 9.376 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -12.763 53.167 6.749 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -14.273 53.986 7.097 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -11.522 55.290 7.118 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -12.695 55.414 5.821 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -14.299 56.525 7.331 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -13.203 56.324 8.684 1.00 0.00 H new ATOM 0 HE ARG A 41 -11.720 57.728 6.770 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -14.810 58.185 8.430 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -14.670 59.946 8.451 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -11.546 60.004 6.832 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -12.840 60.966 7.555 1.00 0.00 H new ATOM 669 N CYS A 42 -14.421 51.665 8.609 1.00 0.00 N ATOM 670 CA CYS A 42 -15.486 50.731 8.990 1.00 0.00 C ATOM 671 C CYS A 42 -14.923 49.572 9.810 1.00 0.00 C ATOM 672 O CYS A 42 -15.656 48.668 10.211 1.00 0.00 O ATOM 673 CB CYS A 42 -16.232 50.195 7.754 1.00 0.00 C ATOM 674 SG CYS A 42 -15.225 49.157 6.637 1.00 0.00 S ATOM 0 H CYS A 42 -13.904 51.399 7.771 1.00 0.00 H new ATOM 0 HA CYS A 42 -16.199 51.281 9.604 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -17.091 49.614 8.090 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -16.621 51.041 7.187 1.00 0.00 H new ATOM 679 N GLY A 43 -13.613 49.606 10.059 1.00 0.00 N ATOM 680 CA GLY A 43 -12.975 48.565 10.843 1.00 0.00 C ATOM 681 C GLY A 43 -12.917 47.255 10.092 1.00 0.00 C ATOM 682 O GLY A 43 -12.934 46.178 10.694 1.00 0.00 O ATOM 0 H GLY A 43 -12.984 50.338 9.730 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.965 48.877 11.109 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -13.521 48.426 11.776 1.00 0.00 H new ATOM 686 N TYR A 44 -12.879 47.349 8.765 1.00 0.00 N ATOM 687 CA TYR A 44 -12.748 46.172 7.923 1.00 0.00 C ATOM 688 C TYR A 44 -11.297 45.720 7.935 1.00 0.00 C ATOM 689 O TYR A 44 -10.424 46.399 7.387 1.00 0.00 O ATOM 690 CB TYR A 44 -13.212 46.454 6.481 1.00 0.00 C ATOM 691 CG TYR A 44 -13.258 45.214 5.599 1.00 0.00 C ATOM 692 CD1 TYR A 44 -14.383 44.393 5.583 1.00 0.00 C ATOM 693 CD2 TYR A 44 -12.180 44.860 4.790 1.00 0.00 C ATOM 694 CE1 TYR A 44 -14.432 43.262 4.790 1.00 0.00 C ATOM 695 CE2 TYR A 44 -12.223 43.728 3.995 1.00 0.00 C ATOM 696 CZ TYR A 44 -13.351 42.933 3.999 1.00 0.00 C ATOM 697 OH TYR A 44 -13.402 41.805 3.209 1.00 0.00 O ATOM 0 H TYR A 44 -12.937 48.230 8.254 1.00 0.00 H new ATOM 0 HA TYR A 44 -13.387 45.383 8.318 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -14.204 46.906 6.510 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -12.542 47.185 6.030 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -15.232 44.645 6.201 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -11.296 45.480 4.783 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -15.314 42.638 4.790 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -11.378 43.468 3.375 1.00 0.00 H new ATOM 0 HH TYR A 44 -12.745 41.152 3.528 1.00 0.00 H new ATOM 707 N THR A 45 -11.048 44.604 8.597 1.00 0.00 N ATOM 708 CA THR A 45 -9.717 44.034 8.683 1.00 0.00 C ATOM 709 C THR A 45 -9.774 42.556 8.321 1.00 0.00 C ATOM 710 O THR A 45 -10.540 41.791 8.913 1.00 0.00 O ATOM 711 CB THR A 45 -9.127 44.206 10.101 1.00 0.00 C ATOM 712 OG1 THR A 45 -9.145 45.591 10.480 1.00 0.00 O ATOM 713 CG2 THR A 45 -7.700 43.687 10.170 1.00 0.00 C ATOM 0 H THR A 45 -11.763 44.068 9.089 1.00 0.00 H new ATOM 0 HA THR A 45 -9.069 44.561 7.982 1.00 0.00 H new ATOM 0 HB THR A 45 -9.743 43.627 10.789 1.00 0.00 H new ATOM 0 HG1 THR A 45 -8.771 45.689 11.380 1.00 0.00 H new ATOM 0 HG21 THR A 45 -7.312 43.822 11.180 1.00 0.00 H new ATOM 0 HG22 THR A 45 -7.685 42.628 9.914 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.078 44.239 9.466 1.00 0.00 H new ATOM 721 N GLU A 46 -8.975 42.165 7.338 1.00 0.00 N ATOM 722 CA GLU A 46 -8.984 40.805 6.820 1.00 0.00 C ATOM 723 C GLU A 46 -7.560 40.259 6.776 1.00 0.00 C ATOM 724 O GLU A 46 -6.653 40.929 6.284 1.00 0.00 O ATOM 725 CB GLU A 46 -9.619 40.794 5.423 1.00 0.00 C ATOM 726 CG GLU A 46 -9.738 39.410 4.799 1.00 0.00 C ATOM 727 CD GLU A 46 -10.504 39.430 3.487 1.00 0.00 C ATOM 728 OE1 GLU A 46 -11.753 39.409 3.522 1.00 0.00 O ATOM 729 OE2 GLU A 46 -9.868 39.470 2.414 1.00 0.00 O ATOM 0 H GLU A 46 -8.304 42.780 6.878 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.575 40.165 7.475 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.612 41.238 5.485 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.027 41.428 4.763 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.741 39.005 4.628 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.239 38.741 5.499 1.00 0.00 H new ATOM 736 N PHE A 47 -7.367 39.054 7.311 1.00 0.00 N ATOM 737 CA PHE A 47 -6.044 38.433 7.356 1.00 0.00 C ATOM 738 C PHE A 47 -5.461 38.298 5.955 1.00 0.00 C ATOM 739 O PHE A 47 -6.195 38.091 4.983 1.00 0.00 O ATOM 740 CB PHE A 47 -6.107 37.062 8.039 1.00 0.00 C ATOM 741 CG PHE A 47 -6.518 37.134 9.486 1.00 0.00 C ATOM 742 CD1 PHE A 47 -5.730 37.807 10.404 1.00 0.00 C ATOM 743 CD2 PHE A 47 -7.692 36.536 9.924 1.00 0.00 C ATOM 744 CE1 PHE A 47 -6.102 37.884 11.732 1.00 0.00 C ATOM 745 CE2 PHE A 47 -8.069 36.611 11.250 1.00 0.00 C ATOM 746 CZ PHE A 47 -7.274 37.285 12.155 1.00 0.00 C ATOM 0 H PHE A 47 -8.111 38.488 7.720 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.391 39.080 7.941 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.811 36.428 7.500 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -5.130 36.584 7.970 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -4.814 38.277 10.078 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -8.317 36.007 9.220 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -5.478 38.411 12.439 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -8.985 36.143 11.579 1.00 0.00 H new ATOM 0 HZ PHE A 47 -7.567 37.344 13.193 1.00 0.00 H new ATOM 756 N LYS A 48 -4.139 38.412 5.863 1.00 0.00 N ATOM 757 CA LYS A 48 -3.449 38.427 4.577 1.00 0.00 C ATOM 758 C LYS A 48 -3.751 37.157 3.777 1.00 0.00 C ATOM 759 O LYS A 48 -3.193 36.094 4.054 1.00 0.00 O ATOM 760 CB LYS A 48 -1.928 38.584 4.780 1.00 0.00 C ATOM 761 CG LYS A 48 -1.292 39.678 3.924 1.00 0.00 C ATOM 762 CD LYS A 48 -1.493 39.436 2.428 1.00 0.00 C ATOM 763 CE LYS A 48 -0.885 40.558 1.596 1.00 0.00 C ATOM 764 NZ LYS A 48 -1.163 40.397 0.142 1.00 0.00 N ATOM 0 H LYS A 48 -3.521 38.496 6.670 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.815 39.282 4.009 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.733 38.801 5.830 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.443 37.634 4.555 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.721 40.643 4.194 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.225 39.731 4.141 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.038 38.486 2.147 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.558 39.356 2.211 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.281 41.515 1.936 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.193 40.584 1.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.026 41.308 -0.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.514 39.691 -0.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.144 40.080 0.009 1.00 0.00 H new ATOM 778 N LYS A 49 -4.661 37.280 2.811 1.00 0.00 N ATOM 779 CA LYS A 49 -4.967 36.192 1.890 1.00 0.00 C ATOM 780 C LYS A 49 -3.728 35.882 1.050 1.00 0.00 C ATOM 781 O LYS A 49 -3.557 36.406 -0.055 1.00 0.00 O ATOM 782 CB LYS A 49 -6.163 36.574 0.998 1.00 0.00 C ATOM 783 CG LYS A 49 -6.666 35.450 0.092 1.00 0.00 C ATOM 784 CD LYS A 49 -7.889 35.887 -0.718 1.00 0.00 C ATOM 785 CE LYS A 49 -8.442 34.755 -1.580 1.00 0.00 C ATOM 786 NZ LYS A 49 -9.665 35.166 -2.323 1.00 0.00 N ATOM 0 H LYS A 49 -5.201 38.130 2.648 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.242 35.299 2.451 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.984 36.904 1.635 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.880 37.424 0.377 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.869 35.144 -0.586 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.921 34.580 0.697 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.666 36.238 -0.039 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.619 36.729 -1.356 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -7.679 34.433 -2.288 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.673 33.898 -0.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.008 34.368 -2.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -10.403 35.449 -1.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -9.440 35.968 -2.946 1.00 0.00 H new ATOM 800 N ALA A 50 -2.844 35.067 1.613 1.00 0.00 N ATOM 801 CA ALA A 50 -1.547 34.794 1.012 1.00 0.00 C ATOM 802 C ALA A 50 -1.665 33.844 -0.177 1.00 0.00 C ATOM 803 O ALA A 50 -1.644 32.619 -0.020 1.00 0.00 O ATOM 804 CB ALA A 50 -0.588 34.237 2.058 1.00 0.00 C ATOM 0 H ALA A 50 -3.006 34.580 2.494 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.148 35.736 0.635 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.379 34.037 1.596 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.463 34.964 2.861 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.993 33.311 2.467 1.00 0.00 H new ATOM 810 N LYS A 51 -1.832 34.418 -1.361 1.00 0.00 N ATOM 811 CA LYS A 51 -1.781 33.655 -2.600 1.00 0.00 C ATOM 812 C LYS A 51 -0.361 33.688 -3.154 1.00 0.00 C ATOM 813 O LYS A 51 0.122 34.743 -3.576 1.00 0.00 O ATOM 814 CB LYS A 51 -2.779 34.214 -3.622 1.00 0.00 C ATOM 815 CG LYS A 51 -4.228 33.952 -3.233 1.00 0.00 C ATOM 816 CD LYS A 51 -4.499 32.453 -3.101 1.00 0.00 C ATOM 817 CE LYS A 51 -5.782 32.178 -2.339 1.00 0.00 C ATOM 818 NZ LYS A 51 -6.016 30.723 -2.142 1.00 0.00 N ATOM 0 H LYS A 51 -2.005 35.415 -1.489 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.060 32.621 -2.397 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.623 35.288 -3.726 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.583 33.768 -4.597 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.450 34.450 -2.289 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.893 34.380 -3.983 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.563 32.006 -4.093 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.663 31.976 -2.590 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.739 32.672 -1.368 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.624 32.610 -2.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -6.903 30.582 -1.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.083 30.254 -3.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.226 30.314 -1.603 1.00 0.00 H new ATOM 832 N LYS A 52 0.306 32.534 -3.129 1.00 0.00 N ATOM 833 CA LYS A 52 1.704 32.431 -3.543 1.00 0.00 C ATOM 834 C LYS A 52 1.903 32.981 -4.955 1.00 0.00 C ATOM 835 O LYS A 52 2.913 33.628 -5.239 1.00 0.00 O ATOM 836 CB LYS A 52 2.171 30.971 -3.467 1.00 0.00 C ATOM 837 CG LYS A 52 3.643 30.775 -3.823 1.00 0.00 C ATOM 838 CD LYS A 52 4.565 31.544 -2.877 1.00 0.00 C ATOM 839 CE LYS A 52 6.029 31.418 -3.279 1.00 0.00 C ATOM 840 NZ LYS A 52 6.294 31.995 -4.626 1.00 0.00 N ATOM 0 H LYS A 52 -0.104 31.651 -2.824 1.00 0.00 H new ATOM 0 HA LYS A 52 2.306 33.032 -2.861 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.998 30.596 -2.458 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.561 30.369 -4.140 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.888 29.713 -3.785 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.816 31.106 -4.847 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.280 32.596 -2.869 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.435 31.171 -1.861 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.652 31.923 -2.540 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.317 30.367 -3.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 7.317 31.979 -4.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.800 31.433 -5.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.951 32.976 -4.657 1.00 0.00 H new ATOM 854 N SER A 53 0.927 32.723 -5.823 1.00 0.00 N ATOM 855 CA SER A 53 0.949 33.210 -7.200 1.00 0.00 C ATOM 856 C SER A 53 2.111 32.595 -7.987 1.00 0.00 C ATOM 857 O SER A 53 2.657 33.224 -8.895 1.00 0.00 O ATOM 858 CB SER A 53 1.032 34.744 -7.214 1.00 0.00 C ATOM 859 OG SER A 53 0.019 35.310 -6.396 1.00 0.00 O ATOM 0 H SER A 53 0.100 32.172 -5.592 1.00 0.00 H new ATOM 0 HA SER A 53 0.023 32.904 -7.687 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.012 35.063 -6.860 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.927 35.109 -8.236 1.00 0.00 H new ATOM 0 HG SER A 53 0.191 35.083 -5.458 1.00 0.00 H new ATOM 865 N LYS A 54 2.462 31.349 -7.643 1.00 0.00 N ATOM 866 CA LYS A 54 3.523 30.609 -8.338 1.00 0.00 C ATOM 867 C LYS A 54 4.894 31.270 -8.136 1.00 0.00 C ATOM 868 O LYS A 54 5.087 32.055 -7.201 1.00 0.00 O ATOM 869 CB LYS A 54 3.203 30.499 -9.843 1.00 0.00 C ATOM 870 CG LYS A 54 1.983 29.640 -10.165 1.00 0.00 C ATOM 871 CD LYS A 54 2.218 28.171 -9.814 1.00 0.00 C ATOM 872 CE LYS A 54 1.034 27.294 -10.204 1.00 0.00 C ATOM 873 NZ LYS A 54 1.272 25.859 -9.890 1.00 0.00 N ATOM 0 H LYS A 54 2.023 30.830 -6.883 1.00 0.00 H new ATOM 0 HA LYS A 54 3.566 29.608 -7.908 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.043 31.500 -10.243 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.070 30.085 -10.358 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.120 30.012 -9.613 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.746 29.727 -11.225 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.115 27.816 -10.322 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.400 28.079 -8.743 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.142 27.636 -9.679 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.838 27.403 -11.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.442 25.300 -10.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.108 25.524 -10.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.433 25.749 -8.868 1.00 0.00 H new ATOM 887 N SER A 55 5.847 30.915 -8.997 1.00 0.00 N ATOM 888 CA SER A 55 7.179 31.505 -8.986 1.00 0.00 C ATOM 889 C SER A 55 7.735 31.514 -10.415 1.00 0.00 C ATOM 890 O SER A 55 8.347 30.504 -10.833 1.00 0.00 O ATOM 891 CB SER A 55 8.102 30.719 -8.035 1.00 0.00 C ATOM 892 OG SER A 55 9.380 31.334 -7.910 1.00 0.00 O ATOM 893 OXT SER A 55 7.533 32.519 -11.125 1.00 0.00 O ATOM 0 H SER A 55 5.714 30.209 -9.721 1.00 0.00 H new ATOM 0 HA SER A 55 7.126 32.531 -8.622 1.00 0.00 H new ATOM 0 HB2 SER A 55 7.635 30.647 -7.052 1.00 0.00 H new ATOM 0 HB3 SER A 55 8.223 29.701 -8.405 1.00 0.00 H new ATOM 0 HG SER A 55 9.937 30.809 -7.298 1.00 0.00 H new TER 899 SER A 55 HETATM 900 ZN ZN A 56 -13.984 50.303 5.019 1.00 0.00 ZN