USER MOD reduce.3.24.130724 H: found=0, std=0, add=642, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 642 hydrogens (31 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 31 SER OG : rot 25:sc= 0.924 USER MOD Set 1.2: A 33 THR OG1 : rot 180:sc= 0.125 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.109 USER MOD Single : A 4 GLN : amide:sc= -2.86 K(o=-2.9,f=-0.46) USER MOD Single : A 16 ASN : amide:sc= -5.41! C(o=-5.4!,f=-5.1!) USER MOD Single : A 27 LYS NZ :NH3+ -137:sc= 0.344 (180deg=-0.361) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 99:sc= 1.31 USER MOD Single : A 43 MET CE :methyl -170:sc= -5.82! (180deg=-6.05!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.142 K(o=-0.14,f=-0.79) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot -91:sc= -2! USER MOD Single : A 73 THR OG1 : rot 82:sc= 1.27 USER MOD Single : A 74 LYS NZ :NH3+ 173:sc=-0.00243 (180deg=-0.0588) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN : amide:sc= -1.86! C(o=-1.9!,f=-5.3!) USER MOD Single : A 101 SXH O33 : rot 112:sc= 0.194 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 14.061 -8.014 4.802 1.00 1.43 N ATOM 2 CA ALA A 1 13.444 -7.482 3.579 1.00 0.89 C ATOM 3 C ALA A 1 12.144 -8.221 3.295 1.00 0.84 C ATOM 4 O ALA A 1 12.094 -9.454 3.342 1.00 1.31 O ATOM 5 CB ALA A 1 14.395 -7.598 2.399 1.00 1.02 C ATOM 0 H1 ALA A 1 14.949 -7.506 4.992 1.00 1.43 H new ATOM 0 H2 ALA A 1 13.410 -7.886 5.603 1.00 1.43 H new ATOM 0 H3 ALA A 1 14.261 -9.027 4.677 1.00 1.43 H new ATOM 0 HA ALA A 1 13.225 -6.425 3.729 1.00 0.89 H new ATOM 0 HB1 ALA A 1 13.916 -7.198 1.505 1.00 1.02 H new ATOM 0 HB2 ALA A 1 15.304 -7.034 2.607 1.00 1.02 H new ATOM 0 HB3 ALA A 1 14.648 -8.646 2.237 1.00 1.02 H new ATOM 13 N ALA A 2 11.102 -7.468 3.015 1.00 0.70 N ATOM 14 CA ALA A 2 9.777 -8.008 2.790 1.00 0.62 C ATOM 15 C ALA A 2 9.622 -8.554 1.365 1.00 0.65 C ATOM 16 O ALA A 2 10.382 -8.190 0.458 1.00 0.87 O ATOM 17 CB ALA A 2 8.734 -6.940 3.074 1.00 0.59 C ATOM 0 H ALA A 2 11.151 -6.452 2.936 1.00 0.70 H new ATOM 0 HA ALA A 2 9.629 -8.845 3.472 1.00 0.62 H new ATOM 0 HB1 ALA A 2 7.738 -7.349 2.904 1.00 0.59 H new ATOM 0 HB2 ALA A 2 8.820 -6.614 4.111 1.00 0.59 H new ATOM 0 HB3 ALA A 2 8.895 -6.089 2.412 1.00 0.59 H new ATOM 23 N THR A 3 8.630 -9.393 1.177 1.00 0.51 N ATOM 24 CA THR A 3 8.364 -10.027 -0.077 1.00 0.54 C ATOM 25 C THR A 3 6.967 -9.632 -0.501 1.00 0.42 C ATOM 26 O THR A 3 6.382 -8.748 0.134 1.00 0.37 O ATOM 27 CB THR A 3 8.441 -11.557 0.073 1.00 0.64 C ATOM 28 OG1 THR A 3 7.593 -11.959 1.167 1.00 0.63 O ATOM 29 CG2 THR A 3 9.870 -12.012 0.336 1.00 0.82 C ATOM 0 H THR A 3 7.975 -9.654 1.914 1.00 0.51 H new ATOM 0 HA THR A 3 9.100 -9.717 -0.819 1.00 0.54 H new ATOM 0 HB THR A 3 8.107 -12.020 -0.855 1.00 0.64 H new ATOM 0 HG1 THR A 3 7.633 -12.933 1.271 1.00 0.63 H new ATOM 0 HG21 THR A 3 9.894 -13.097 0.438 1.00 0.82 H new ATOM 0 HG22 THR A 3 10.507 -11.712 -0.496 1.00 0.82 H new ATOM 0 HG23 THR A 3 10.234 -11.554 1.255 1.00 0.82 H new ATOM 37 N GLN A 4 6.402 -10.314 -1.494 1.00 0.44 N ATOM 38 CA GLN A 4 5.061 -10.018 -1.967 1.00 0.42 C ATOM 39 C GLN A 4 4.085 -10.169 -0.826 1.00 0.38 C ATOM 40 O GLN A 4 3.378 -9.237 -0.496 1.00 0.38 O ATOM 41 CB GLN A 4 4.701 -10.917 -3.197 1.00 0.52 C ATOM 42 CG GLN A 4 3.308 -10.707 -3.857 1.00 0.66 C ATOM 43 CD GLN A 4 2.154 -11.458 -3.173 1.00 0.76 C ATOM 44 OE1 GLN A 4 1.852 -12.607 -3.513 1.00 1.24 O ATOM 45 NE2 GLN A 4 1.504 -10.831 -2.241 1.00 0.63 N ATOM 0 H GLN A 4 6.860 -11.080 -1.987 1.00 0.44 H new ATOM 0 HA GLN A 4 5.006 -8.986 -2.315 1.00 0.42 H new ATOM 0 HB2 GLN A 4 5.462 -10.762 -3.961 1.00 0.52 H new ATOM 0 HB3 GLN A 4 4.771 -11.959 -2.884 1.00 0.52 H new ATOM 0 HG2 GLN A 4 3.079 -9.641 -3.860 1.00 0.66 H new ATOM 0 HG3 GLN A 4 3.363 -11.024 -4.899 1.00 0.66 H new ATOM 0 HE21 GLN A 4 1.775 -9.883 -1.980 1.00 0.63 H new ATOM 0 HE22 GLN A 4 0.723 -11.286 -1.769 1.00 0.63 H new ATOM 54 N GLU A 5 4.120 -11.309 -0.178 1.00 0.40 N ATOM 55 CA GLU A 5 3.205 -11.608 0.894 1.00 0.46 C ATOM 56 C GLU A 5 3.425 -10.680 2.091 1.00 0.37 C ATOM 57 O GLU A 5 2.473 -10.186 2.680 1.00 0.37 O ATOM 58 CB GLU A 5 3.369 -13.057 1.294 1.00 0.63 C ATOM 59 CG GLU A 5 2.431 -13.513 2.376 1.00 1.35 C ATOM 60 CD GLU A 5 2.617 -14.961 2.685 1.00 1.79 C ATOM 61 OE1 GLU A 5 2.071 -15.806 1.949 1.00 2.08 O ATOM 62 OE2 GLU A 5 3.322 -15.288 3.652 1.00 2.43 O ATOM 0 H GLU A 5 4.785 -12.055 -0.381 1.00 0.40 H new ATOM 0 HA GLU A 5 2.185 -11.442 0.546 1.00 0.46 H new ATOM 0 HB2 GLU A 5 3.221 -13.683 0.414 1.00 0.63 H new ATOM 0 HB3 GLU A 5 4.394 -13.215 1.629 1.00 0.63 H new ATOM 0 HG2 GLU A 5 2.599 -12.923 3.277 1.00 1.35 H new ATOM 0 HG3 GLU A 5 1.401 -13.335 2.065 1.00 1.35 H new ATOM 69 N GLU A 6 4.677 -10.411 2.398 1.00 0.36 N ATOM 70 CA GLU A 6 5.027 -9.585 3.554 1.00 0.37 C ATOM 71 C GLU A 6 4.565 -8.153 3.392 1.00 0.29 C ATOM 72 O GLU A 6 3.936 -7.600 4.302 1.00 0.31 O ATOM 73 CB GLU A 6 6.507 -9.622 3.808 1.00 0.46 C ATOM 74 CG GLU A 6 7.016 -10.978 4.206 1.00 0.67 C ATOM 75 CD GLU A 6 6.494 -11.396 5.544 1.00 1.38 C ATOM 76 OE1 GLU A 6 6.866 -10.795 6.565 1.00 1.91 O ATOM 77 OE2 GLU A 6 5.696 -12.339 5.600 1.00 2.07 O ATOM 0 H GLU A 6 5.478 -10.750 1.866 1.00 0.36 H new ATOM 0 HA GLU A 6 4.506 -10.007 4.414 1.00 0.37 H new ATOM 0 HB2 GLU A 6 7.030 -9.297 2.908 1.00 0.46 H new ATOM 0 HB3 GLU A 6 6.750 -8.907 4.594 1.00 0.46 H new ATOM 0 HG2 GLU A 6 6.721 -11.712 3.455 1.00 0.67 H new ATOM 0 HG3 GLU A 6 8.106 -10.965 4.229 1.00 0.67 H new ATOM 84 N ILE A 7 4.888 -7.544 2.244 1.00 0.24 N ATOM 85 CA ILE A 7 4.444 -6.196 1.949 1.00 0.19 C ATOM 86 C ILE A 7 2.938 -6.146 1.981 1.00 0.17 C ATOM 87 O ILE A 7 2.356 -5.329 2.697 1.00 0.20 O ATOM 88 CB ILE A 7 4.930 -5.759 0.562 1.00 0.18 C ATOM 89 CG1 ILE A 7 6.443 -5.758 0.536 1.00 0.23 C ATOM 90 CG2 ILE A 7 4.391 -4.371 0.208 1.00 0.19 C ATOM 91 CD1 ILE A 7 7.006 -5.522 -0.817 1.00 0.25 C ATOM 0 H ILE A 7 5.455 -7.971 1.512 1.00 0.24 H new ATOM 0 HA ILE A 7 4.858 -5.522 2.698 1.00 0.19 H new ATOM 0 HB ILE A 7 4.556 -6.464 -0.181 1.00 0.18 H new ATOM 0 HG12 ILE A 7 6.811 -4.988 1.214 1.00 0.23 H new ATOM 0 HG13 ILE A 7 6.807 -6.714 0.912 1.00 0.23 H new ATOM 0 HG21 ILE A 7 4.749 -4.083 -0.780 1.00 0.19 H new ATOM 0 HG22 ILE A 7 3.301 -4.393 0.207 1.00 0.19 H new ATOM 0 HG23 ILE A 7 4.738 -3.647 0.945 1.00 0.19 H new ATOM 0 HD11 ILE A 7 8.095 -5.534 -0.765 1.00 0.25 H new ATOM 0 HD12 ILE A 7 6.667 -6.306 -1.494 1.00 0.25 H new ATOM 0 HD13 ILE A 7 6.671 -4.553 -1.187 1.00 0.25 H new ATOM 103 N VAL A 8 2.327 -7.047 1.239 1.00 0.15 N ATOM 104 CA VAL A 8 0.866 -7.105 1.131 1.00 0.15 C ATOM 105 C VAL A 8 0.202 -7.209 2.499 1.00 0.17 C ATOM 106 O VAL A 8 -0.664 -6.405 2.814 1.00 0.19 O ATOM 107 CB VAL A 8 0.397 -8.247 0.189 1.00 0.16 C ATOM 108 CG1 VAL A 8 -1.113 -8.447 0.263 1.00 0.20 C ATOM 109 CG2 VAL A 8 0.780 -7.901 -1.232 1.00 0.18 C ATOM 0 H VAL A 8 2.815 -7.758 0.695 1.00 0.15 H new ATOM 0 HA VAL A 8 0.547 -6.164 0.682 1.00 0.15 H new ATOM 0 HB VAL A 8 0.880 -9.172 0.505 1.00 0.16 H new ATOM 0 HG11 VAL A 8 -1.407 -9.254 -0.409 1.00 0.20 H new ATOM 0 HG12 VAL A 8 -1.396 -8.704 1.284 1.00 0.20 H new ATOM 0 HG13 VAL A 8 -1.617 -7.527 -0.033 1.00 0.20 H new ATOM 0 HG21 VAL A 8 0.454 -8.698 -1.901 1.00 0.18 H new ATOM 0 HG22 VAL A 8 0.300 -6.966 -1.521 1.00 0.18 H new ATOM 0 HG23 VAL A 8 1.862 -7.789 -1.300 1.00 0.18 H new ATOM 119 N ALA A 9 0.644 -8.159 3.319 1.00 0.19 N ATOM 120 CA ALA A 9 0.078 -8.360 4.656 1.00 0.22 C ATOM 121 C ALA A 9 0.219 -7.104 5.521 1.00 0.18 C ATOM 122 O ALA A 9 -0.682 -6.776 6.296 1.00 0.20 O ATOM 123 CB ALA A 9 0.738 -9.547 5.346 1.00 0.28 C ATOM 0 H ALA A 9 1.396 -8.806 3.082 1.00 0.19 H new ATOM 0 HA ALA A 9 -0.985 -8.568 4.533 1.00 0.22 H new ATOM 0 HB1 ALA A 9 0.304 -9.679 6.337 1.00 0.28 H new ATOM 0 HB2 ALA A 9 0.575 -10.448 4.755 1.00 0.28 H new ATOM 0 HB3 ALA A 9 1.808 -9.364 5.440 1.00 0.28 H new ATOM 129 N GLY A 10 1.317 -6.386 5.332 1.00 0.17 N ATOM 130 CA GLY A 10 1.602 -5.208 6.096 1.00 0.17 C ATOM 131 C GLY A 10 0.745 -4.068 5.662 1.00 0.15 C ATOM 132 O GLY A 10 0.211 -3.362 6.480 1.00 0.18 O ATOM 0 H GLY A 10 2.029 -6.616 4.639 1.00 0.17 H new ATOM 0 HA2 GLY A 10 1.438 -5.409 7.155 1.00 0.17 H new ATOM 0 HA3 GLY A 10 2.653 -4.942 5.982 1.00 0.17 H new ATOM 136 N LEU A 11 0.607 -3.899 4.365 1.00 0.14 N ATOM 137 CA LEU A 11 -0.258 -2.863 3.819 1.00 0.14 C ATOM 138 C LEU A 11 -1.670 -3.158 4.234 1.00 0.13 C ATOM 139 O LEU A 11 -2.348 -2.303 4.795 1.00 0.15 O ATOM 140 CB LEU A 11 -0.195 -2.843 2.284 1.00 0.14 C ATOM 141 CG LEU A 11 1.176 -2.651 1.645 1.00 0.18 C ATOM 142 CD1 LEU A 11 1.067 -2.720 0.132 1.00 0.17 C ATOM 143 CD2 LEU A 11 1.787 -1.334 2.078 1.00 0.26 C ATOM 0 H LEU A 11 1.082 -4.465 3.662 1.00 0.14 H new ATOM 0 HA LEU A 11 0.073 -1.895 4.195 1.00 0.14 H new ATOM 0 HB2 LEU A 11 -0.610 -3.781 1.917 1.00 0.14 H new ATOM 0 HB3 LEU A 11 -0.848 -2.045 1.930 1.00 0.14 H new ATOM 0 HG LEU A 11 1.830 -3.455 1.981 1.00 0.18 H new ATOM 0 HD11 LEU A 11 2.053 -2.581 -0.311 1.00 0.17 H new ATOM 0 HD12 LEU A 11 0.672 -3.693 -0.160 1.00 0.17 H new ATOM 0 HD13 LEU A 11 0.398 -1.935 -0.221 1.00 0.17 H new ATOM 0 HD21 LEU A 11 2.765 -1.216 1.611 1.00 0.26 H new ATOM 0 HD22 LEU A 11 1.138 -0.514 1.772 1.00 0.26 H new ATOM 0 HD23 LEU A 11 1.899 -1.324 3.162 1.00 0.26 H new ATOM 155 N ALA A 12 -2.073 -4.402 4.008 1.00 0.12 N ATOM 156 CA ALA A 12 -3.404 -4.859 4.283 1.00 0.13 C ATOM 157 C ALA A 12 -3.811 -4.600 5.692 1.00 0.13 C ATOM 158 O ALA A 12 -4.824 -3.989 5.894 1.00 0.15 O ATOM 159 CB ALA A 12 -3.578 -6.313 3.955 1.00 0.14 C ATOM 0 H ALA A 12 -1.464 -5.124 3.622 1.00 0.12 H new ATOM 0 HA ALA A 12 -4.059 -4.280 3.632 1.00 0.13 H new ATOM 0 HB1 ALA A 12 -4.601 -6.617 4.179 1.00 0.14 H new ATOM 0 HB2 ALA A 12 -3.375 -6.474 2.896 1.00 0.14 H new ATOM 0 HB3 ALA A 12 -2.885 -6.906 4.552 1.00 0.14 H new ATOM 165 N GLU A 13 -2.996 -5.012 6.673 1.00 0.13 N ATOM 166 CA GLU A 13 -3.358 -4.831 8.086 1.00 0.18 C ATOM 167 C GLU A 13 -3.647 -3.376 8.415 1.00 0.18 C ATOM 168 O GLU A 13 -4.536 -3.077 9.204 1.00 0.27 O ATOM 169 CB GLU A 13 -2.333 -5.452 9.047 1.00 0.27 C ATOM 170 CG GLU A 13 -0.923 -4.934 8.888 1.00 0.28 C ATOM 171 CD GLU A 13 0.055 -5.577 9.833 1.00 0.55 C ATOM 172 OE1 GLU A 13 0.354 -6.775 9.675 1.00 0.76 O ATOM 173 OE2 GLU A 13 0.595 -4.881 10.711 1.00 0.66 O ATOM 0 H GLU A 13 -2.096 -5.466 6.519 1.00 0.13 H new ATOM 0 HA GLU A 13 -4.286 -5.383 8.239 1.00 0.18 H new ATOM 0 HB2 GLU A 13 -2.659 -5.270 10.071 1.00 0.27 H new ATOM 0 HB3 GLU A 13 -2.327 -6.532 8.902 1.00 0.27 H new ATOM 0 HG2 GLU A 13 -0.594 -5.105 7.863 1.00 0.28 H new ATOM 0 HG3 GLU A 13 -0.919 -3.856 9.049 1.00 0.28 H new ATOM 180 N ILE A 14 -2.952 -2.492 7.752 1.00 0.13 N ATOM 181 CA ILE A 14 -3.179 -1.073 7.919 1.00 0.13 C ATOM 182 C ILE A 14 -4.515 -0.676 7.212 1.00 0.13 C ATOM 183 O ILE A 14 -5.393 -0.044 7.813 1.00 0.17 O ATOM 184 CB ILE A 14 -1.993 -0.281 7.339 1.00 0.15 C ATOM 185 CG1 ILE A 14 -0.692 -0.795 7.952 1.00 0.19 C ATOM 186 CG2 ILE A 14 -2.157 1.185 7.697 1.00 0.17 C ATOM 187 CD1 ILE A 14 0.545 -0.317 7.236 1.00 0.25 C ATOM 0 H ILE A 14 -2.217 -2.727 7.085 1.00 0.13 H new ATOM 0 HA ILE A 14 -3.260 -0.835 8.979 1.00 0.13 H new ATOM 0 HB ILE A 14 -1.965 -0.404 6.256 1.00 0.15 H new ATOM 0 HG12 ILE A 14 -0.642 -0.480 8.994 1.00 0.19 H new ATOM 0 HG13 ILE A 14 -0.705 -1.885 7.949 1.00 0.19 H new ATOM 0 HG21 ILE A 14 -1.321 1.755 7.290 1.00 0.17 H new ATOM 0 HG22 ILE A 14 -3.090 1.560 7.277 1.00 0.17 H new ATOM 0 HG23 ILE A 14 -2.177 1.295 8.781 1.00 0.17 H new ATOM 0 HD11 ILE A 14 1.429 -0.722 7.728 1.00 0.25 H new ATOM 0 HD12 ILE A 14 0.519 -0.655 6.200 1.00 0.25 H new ATOM 0 HD13 ILE A 14 0.582 0.772 7.262 1.00 0.25 H new ATOM 199 N VAL A 15 -4.654 -1.082 5.946 1.00 0.10 N ATOM 200 CA VAL A 15 -5.860 -0.851 5.123 1.00 0.11 C ATOM 201 C VAL A 15 -7.107 -1.387 5.834 1.00 0.12 C ATOM 202 O VAL A 15 -8.169 -0.753 5.808 1.00 0.17 O ATOM 203 CB VAL A 15 -5.729 -1.558 3.743 1.00 0.12 C ATOM 204 CG1 VAL A 15 -6.942 -1.289 2.859 1.00 0.20 C ATOM 205 CG2 VAL A 15 -4.479 -1.104 3.046 1.00 0.15 C ATOM 0 H VAL A 15 -3.922 -1.590 5.450 1.00 0.10 H new ATOM 0 HA VAL A 15 -5.957 0.224 4.973 1.00 0.11 H new ATOM 0 HB VAL A 15 -5.675 -2.632 3.924 1.00 0.12 H new ATOM 0 HG11 VAL A 15 -6.816 -1.798 1.904 1.00 0.20 H new ATOM 0 HG12 VAL A 15 -7.841 -1.660 3.352 1.00 0.20 H new ATOM 0 HG13 VAL A 15 -7.038 -0.217 2.689 1.00 0.20 H new ATOM 0 HG21 VAL A 15 -4.398 -1.605 2.081 1.00 0.15 H new ATOM 0 HG22 VAL A 15 -4.519 -0.026 2.892 1.00 0.15 H new ATOM 0 HG23 VAL A 15 -3.611 -1.351 3.658 1.00 0.15 H new ATOM 215 N ASN A 16 -6.957 -2.546 6.468 1.00 0.11 N ATOM 216 CA ASN A 16 -8.022 -3.201 7.242 1.00 0.15 C ATOM 217 C ASN A 16 -8.592 -2.244 8.272 1.00 0.19 C ATOM 218 O ASN A 16 -9.805 -2.101 8.407 1.00 0.27 O ATOM 219 CB ASN A 16 -7.501 -4.446 8.021 1.00 0.18 C ATOM 220 CG ASN A 16 -7.266 -5.731 7.253 1.00 0.32 C ATOM 221 OD1 ASN A 16 -7.443 -6.808 7.802 1.00 0.85 O ATOM 222 ND2 ASN A 16 -6.869 -5.668 6.044 1.00 0.15 N ATOM 0 H ASN A 16 -6.082 -3.069 6.462 1.00 0.11 H new ATOM 0 HA ASN A 16 -8.778 -3.508 6.519 1.00 0.15 H new ATOM 0 HB2 ASN A 16 -6.562 -4.169 8.499 1.00 0.18 H new ATOM 0 HB3 ASN A 16 -8.213 -4.661 8.818 1.00 0.18 H new ATOM 0 HD21 ASN A 16 -6.694 -6.525 5.519 1.00 0.15 H new ATOM 0 HD22 ASN A 16 -6.726 -4.761 5.601 1.00 0.15 H new ATOM 229 N GLU A 17 -7.710 -1.554 8.959 1.00 0.21 N ATOM 230 CA GLU A 17 -8.091 -0.720 10.070 1.00 0.29 C ATOM 231 C GLU A 17 -8.586 0.678 9.668 1.00 0.27 C ATOM 232 O GLU A 17 -9.301 1.312 10.444 1.00 0.39 O ATOM 233 CB GLU A 17 -6.971 -0.651 11.117 1.00 0.40 C ATOM 234 CG GLU A 17 -6.529 -2.026 11.603 1.00 0.51 C ATOM 235 CD GLU A 17 -5.542 -1.988 12.745 1.00 1.42 C ATOM 236 OE1 GLU A 17 -4.551 -1.236 12.651 1.00 2.35 O ATOM 237 OE2 GLU A 17 -5.755 -2.665 13.781 1.00 1.56 O ATOM 0 H GLU A 17 -6.709 -1.557 8.761 1.00 0.21 H new ATOM 0 HA GLU A 17 -8.957 -1.204 10.522 1.00 0.29 H new ATOM 0 HB2 GLU A 17 -6.114 -0.129 10.691 1.00 0.40 H new ATOM 0 HB3 GLU A 17 -7.312 -0.062 11.969 1.00 0.40 H new ATOM 0 HG2 GLU A 17 -7.408 -2.589 11.915 1.00 0.51 H new ATOM 0 HG3 GLU A 17 -6.083 -2.568 10.769 1.00 0.51 H new ATOM 244 N ILE A 18 -8.209 1.189 8.498 1.00 0.21 N ATOM 245 CA ILE A 18 -8.691 2.539 8.140 1.00 0.22 C ATOM 246 C ILE A 18 -9.790 2.473 7.062 1.00 0.23 C ATOM 247 O ILE A 18 -10.885 2.997 7.253 1.00 0.28 O ATOM 248 CB ILE A 18 -7.571 3.413 7.549 1.00 0.21 C ATOM 249 CG1 ILE A 18 -6.268 3.311 8.326 1.00 0.24 C ATOM 250 CG2 ILE A 18 -8.034 4.874 7.548 1.00 0.28 C ATOM 251 CD1 ILE A 18 -5.137 4.021 7.632 1.00 0.27 C ATOM 0 H ILE A 18 -7.609 0.730 7.813 1.00 0.21 H new ATOM 0 HA ILE A 18 -9.067 2.968 9.069 1.00 0.22 H new ATOM 0 HB ILE A 18 -7.376 3.054 6.539 1.00 0.21 H new ATOM 0 HG12 ILE A 18 -6.406 3.735 9.321 1.00 0.24 H new ATOM 0 HG13 ILE A 18 -6.008 2.261 8.460 1.00 0.24 H new ATOM 0 HG21 ILE A 18 -7.248 5.504 7.131 1.00 0.28 H new ATOM 0 HG22 ILE A 18 -8.935 4.970 6.943 1.00 0.28 H new ATOM 0 HG23 ILE A 18 -8.248 5.189 8.569 1.00 0.28 H new ATOM 0 HD11 ILE A 18 -4.227 3.921 8.224 1.00 0.27 H new ATOM 0 HD12 ILE A 18 -4.980 3.580 6.648 1.00 0.27 H new ATOM 0 HD13 ILE A 18 -5.384 5.077 7.521 1.00 0.27 H new ATOM 263 N ALA A 19 -9.488 1.833 5.930 1.00 0.21 N ATOM 264 CA ALA A 19 -10.454 1.721 4.841 1.00 0.26 C ATOM 265 C ALA A 19 -11.451 0.624 5.117 1.00 0.26 C ATOM 266 O ALA A 19 -12.637 0.748 4.808 1.00 0.44 O ATOM 267 CB ALA A 19 -9.747 1.455 3.526 1.00 0.28 C ATOM 0 H ALA A 19 -8.589 1.388 5.747 1.00 0.21 H new ATOM 0 HA ALA A 19 -10.989 2.668 4.770 1.00 0.26 H new ATOM 0 HB1 ALA A 19 -10.484 1.375 2.727 1.00 0.28 H new ATOM 0 HB2 ALA A 19 -9.063 2.275 3.308 1.00 0.28 H new ATOM 0 HB3 ALA A 19 -9.185 0.524 3.597 1.00 0.28 H new ATOM 273 N GLY A 20 -10.970 -0.448 5.688 1.00 0.18 N ATOM 274 CA GLY A 20 -11.827 -1.544 5.995 1.00 0.22 C ATOM 275 C GLY A 20 -11.718 -2.658 4.991 1.00 0.18 C ATOM 276 O GLY A 20 -12.571 -3.546 4.961 1.00 0.27 O ATOM 0 H GLY A 20 -9.992 -0.579 5.946 1.00 0.18 H new ATOM 0 HA2 GLY A 20 -11.582 -1.927 6.986 1.00 0.22 H new ATOM 0 HA3 GLY A 20 -12.859 -1.194 6.035 1.00 0.22 H new ATOM 280 N ILE A 21 -10.689 -2.629 4.149 1.00 0.14 N ATOM 281 CA ILE A 21 -10.496 -3.702 3.202 1.00 0.15 C ATOM 282 C ILE A 21 -9.796 -4.826 3.924 1.00 0.16 C ATOM 283 O ILE A 21 -8.707 -4.606 4.419 1.00 0.17 O ATOM 284 CB ILE A 21 -9.619 -3.260 2.013 1.00 0.17 C ATOM 285 CG1 ILE A 21 -10.246 -2.057 1.330 1.00 0.21 C ATOM 286 CG2 ILE A 21 -9.450 -4.407 1.024 1.00 0.22 C ATOM 287 CD1 ILE A 21 -11.653 -2.320 0.875 1.00 0.25 C ATOM 0 H ILE A 21 -9.992 -1.885 4.109 1.00 0.14 H new ATOM 0 HA ILE A 21 -11.466 -4.009 2.810 1.00 0.15 H new ATOM 0 HB ILE A 21 -8.633 -2.980 2.384 1.00 0.17 H new ATOM 0 HG12 ILE A 21 -10.242 -1.211 2.017 1.00 0.21 H new ATOM 0 HG13 ILE A 21 -9.637 -1.773 0.471 1.00 0.21 H new ATOM 0 HG21 ILE A 21 -8.829 -4.080 0.190 1.00 0.22 H new ATOM 0 HG22 ILE A 21 -8.973 -5.250 1.523 1.00 0.22 H new ATOM 0 HG23 ILE A 21 -10.427 -4.712 0.650 1.00 0.22 H new ATOM 0 HD11 ILE A 21 -12.053 -1.427 0.394 1.00 0.25 H new ATOM 0 HD12 ILE A 21 -11.657 -3.147 0.165 1.00 0.25 H new ATOM 0 HD13 ILE A 21 -12.272 -2.576 1.735 1.00 0.25 H new ATOM 299 N PRO A 22 -10.418 -6.022 4.022 1.00 0.21 N ATOM 300 CA PRO A 22 -9.844 -7.172 4.738 1.00 0.24 C ATOM 301 C PRO A 22 -8.514 -7.615 4.143 1.00 0.21 C ATOM 302 O PRO A 22 -8.220 -7.342 2.961 1.00 0.21 O ATOM 303 CB PRO A 22 -10.882 -8.278 4.538 1.00 0.33 C ATOM 304 CG PRO A 22 -12.138 -7.565 4.219 1.00 0.33 C ATOM 305 CD PRO A 22 -11.727 -6.358 3.435 1.00 0.25 C ATOM 0 HA PRO A 22 -9.642 -6.932 5.782 1.00 0.24 H new ATOM 0 HB2 PRO A 22 -10.593 -8.950 3.730 1.00 0.33 H new ATOM 0 HB3 PRO A 22 -10.990 -8.886 5.436 1.00 0.33 H new ATOM 0 HG2 PRO A 22 -12.812 -8.197 3.641 1.00 0.33 H new ATOM 0 HG3 PRO A 22 -12.669 -7.280 5.127 1.00 0.33 H new ATOM 0 HD2 PRO A 22 -11.650 -6.574 2.369 1.00 0.25 H new ATOM 0 HD3 PRO A 22 -12.441 -5.542 3.544 1.00 0.25 H new ATOM 313 N VAL A 23 -7.715 -8.342 4.935 1.00 0.24 N ATOM 314 CA VAL A 23 -6.402 -8.783 4.470 1.00 0.29 C ATOM 315 C VAL A 23 -6.540 -9.765 3.309 1.00 0.35 C ATOM 316 O VAL A 23 -5.638 -9.921 2.496 1.00 0.51 O ATOM 317 CB VAL A 23 -5.507 -9.449 5.565 1.00 0.37 C ATOM 318 CG1 VAL A 23 -5.065 -8.465 6.623 1.00 0.84 C ATOM 319 CG2 VAL A 23 -6.215 -10.629 6.199 1.00 0.90 C ATOM 0 H VAL A 23 -7.953 -8.631 5.884 1.00 0.24 H new ATOM 0 HA VAL A 23 -5.903 -7.864 4.161 1.00 0.29 H new ATOM 0 HB VAL A 23 -4.609 -9.808 5.062 1.00 0.37 H new ATOM 0 HG11 VAL A 23 -4.446 -8.977 7.360 1.00 0.84 H new ATOM 0 HG12 VAL A 23 -4.489 -7.665 6.158 1.00 0.84 H new ATOM 0 HG13 VAL A 23 -5.941 -8.042 7.115 1.00 0.84 H new ATOM 0 HG21 VAL A 23 -5.571 -11.075 6.957 1.00 0.90 H new ATOM 0 HG22 VAL A 23 -7.142 -10.291 6.663 1.00 0.90 H new ATOM 0 HG23 VAL A 23 -6.442 -11.371 5.434 1.00 0.90 H new ATOM 329 N GLU A 24 -7.706 -10.378 3.234 1.00 0.37 N ATOM 330 CA GLU A 24 -8.009 -11.368 2.230 1.00 0.54 C ATOM 331 C GLU A 24 -8.500 -10.728 0.944 1.00 0.40 C ATOM 332 O GLU A 24 -8.732 -11.415 -0.055 1.00 0.46 O ATOM 333 CB GLU A 24 -9.046 -12.346 2.765 1.00 0.87 C ATOM 334 CG GLU A 24 -8.575 -13.137 3.971 1.00 1.32 C ATOM 335 CD GLU A 24 -7.430 -14.067 3.647 1.00 2.07 C ATOM 336 OE1 GLU A 24 -6.276 -13.602 3.601 1.00 2.99 O ATOM 337 OE2 GLU A 24 -7.660 -15.260 3.411 1.00 2.34 O ATOM 0 H GLU A 24 -8.476 -10.197 3.878 1.00 0.37 H new ATOM 0 HA GLU A 24 -7.090 -11.907 1.998 1.00 0.54 H new ATOM 0 HB2 GLU A 24 -9.948 -11.795 3.033 1.00 0.87 H new ATOM 0 HB3 GLU A 24 -9.321 -13.040 1.971 1.00 0.87 H new ATOM 0 HG2 GLU A 24 -8.266 -12.446 4.755 1.00 1.32 H new ATOM 0 HG3 GLU A 24 -9.408 -13.717 4.368 1.00 1.32 H new ATOM 344 N ASP A 25 -8.674 -9.425 0.947 1.00 0.30 N ATOM 345 CA ASP A 25 -9.103 -8.776 -0.260 1.00 0.25 C ATOM 346 C ASP A 25 -7.922 -8.082 -0.903 1.00 0.20 C ATOM 347 O ASP A 25 -7.774 -8.092 -2.117 1.00 0.20 O ATOM 348 CB ASP A 25 -10.267 -7.825 -0.013 1.00 0.31 C ATOM 349 CG ASP A 25 -10.952 -7.413 -1.303 1.00 0.42 C ATOM 350 OD1 ASP A 25 -10.975 -8.211 -2.268 1.00 0.71 O ATOM 351 OD2 ASP A 25 -11.444 -6.255 -1.386 1.00 0.53 O ATOM 0 H ASP A 25 -8.529 -8.813 1.750 1.00 0.30 H new ATOM 0 HA ASP A 25 -9.480 -9.530 -0.951 1.00 0.25 H new ATOM 0 HB2 ASP A 25 -10.992 -8.304 0.645 1.00 0.31 H new ATOM 0 HB3 ASP A 25 -9.905 -6.937 0.504 1.00 0.31 H new ATOM 356 N VAL A 26 -7.058 -7.515 -0.066 1.00 0.18 N ATOM 357 CA VAL A 26 -5.813 -6.909 -0.502 1.00 0.16 C ATOM 358 C VAL A 26 -4.898 -8.020 -1.011 1.00 0.16 C ATOM 359 O VAL A 26 -4.335 -8.781 -0.225 1.00 0.19 O ATOM 360 CB VAL A 26 -5.109 -6.192 0.689 1.00 0.15 C ATOM 361 CG1 VAL A 26 -3.781 -5.577 0.263 1.00 0.16 C ATOM 362 CG2 VAL A 26 -6.007 -5.133 1.301 1.00 0.18 C ATOM 0 H VAL A 26 -7.208 -7.465 0.942 1.00 0.18 H new ATOM 0 HA VAL A 26 -6.020 -6.177 -1.283 1.00 0.16 H new ATOM 0 HB VAL A 26 -4.905 -6.950 1.446 1.00 0.15 H new ATOM 0 HG11 VAL A 26 -3.317 -5.085 1.118 1.00 0.16 H new ATOM 0 HG12 VAL A 26 -3.120 -6.360 -0.108 1.00 0.16 H new ATOM 0 HG13 VAL A 26 -3.955 -4.845 -0.526 1.00 0.16 H new ATOM 0 HG21 VAL A 26 -5.488 -4.650 2.129 1.00 0.18 H new ATOM 0 HG22 VAL A 26 -6.257 -4.388 0.546 1.00 0.18 H new ATOM 0 HG23 VAL A 26 -6.921 -5.599 1.668 1.00 0.18 H new ATOM 372 N LYS A 27 -4.869 -8.192 -2.304 1.00 0.21 N ATOM 373 CA LYS A 27 -4.039 -9.207 -2.901 1.00 0.25 C ATOM 374 C LYS A 27 -2.899 -8.593 -3.675 1.00 0.44 C ATOM 375 O LYS A 27 -1.907 -8.216 -3.090 1.00 1.20 O ATOM 376 CB LYS A 27 -4.867 -10.189 -3.718 1.00 0.26 C ATOM 377 CG LYS A 27 -5.897 -10.915 -2.885 1.00 0.36 C ATOM 378 CD LYS A 27 -6.629 -11.967 -3.673 1.00 1.43 C ATOM 379 CE LYS A 27 -7.663 -12.673 -2.812 1.00 1.66 C ATOM 380 NZ LYS A 27 -7.083 -13.270 -1.590 1.00 2.03 N ATOM 0 H LYS A 27 -5.412 -7.641 -2.969 1.00 0.21 H new ATOM 0 HA LYS A 27 -3.582 -9.793 -2.103 1.00 0.25 H new ATOM 0 HB2 LYS A 27 -5.369 -9.653 -4.523 1.00 0.26 H new ATOM 0 HB3 LYS A 27 -4.204 -10.917 -4.185 1.00 0.26 H new ATOM 0 HG2 LYS A 27 -5.407 -11.380 -2.029 1.00 0.36 H new ATOM 0 HG3 LYS A 27 -6.614 -10.196 -2.490 1.00 0.36 H new ATOM 0 HD2 LYS A 27 -7.118 -11.508 -4.532 1.00 1.43 H new ATOM 0 HD3 LYS A 27 -5.917 -12.695 -4.063 1.00 1.43 H new ATOM 0 HE2 LYS A 27 -8.440 -11.962 -2.530 1.00 1.66 H new ATOM 0 HE3 LYS A 27 -8.145 -13.455 -3.399 1.00 1.66 H new ATOM 0 HZ1 LYS A 27 -7.482 -14.219 -1.444 1.00 2.03 H new ATOM 0 HZ2 LYS A 27 -6.051 -13.341 -1.695 1.00 2.03 H new ATOM 0 HZ3 LYS A 27 -7.307 -12.670 -0.771 1.00 2.03 H new ATOM 394 N LEU A 28 -3.032 -8.461 -4.965 1.00 0.34 N ATOM 395 CA LEU A 28 -2.013 -7.753 -5.715 1.00 0.34 C ATOM 396 C LEU A 28 -2.644 -6.992 -6.887 1.00 0.32 C ATOM 397 O LEU A 28 -2.531 -5.771 -6.966 1.00 0.46 O ATOM 398 CB LEU A 28 -0.805 -8.668 -6.103 1.00 0.56 C ATOM 399 CG LEU A 28 -0.844 -9.444 -7.414 1.00 0.58 C ATOM 400 CD1 LEU A 28 -0.319 -8.573 -8.549 1.00 1.20 C ATOM 401 CD2 LEU A 28 -0.042 -10.723 -7.299 1.00 1.12 C ATOM 0 H LEU A 28 -3.812 -8.821 -5.515 1.00 0.34 H new ATOM 0 HA LEU A 28 -1.566 -6.999 -5.068 1.00 0.34 H new ATOM 0 HB2 LEU A 28 0.087 -8.042 -6.120 1.00 0.56 H new ATOM 0 HB3 LEU A 28 -0.671 -9.391 -5.299 1.00 0.56 H new ATOM 0 HG LEU A 28 -1.877 -9.715 -7.634 1.00 0.58 H new ATOM 0 HD11 LEU A 28 -0.350 -9.134 -9.483 1.00 1.20 H new ATOM 0 HD12 LEU A 28 -0.940 -7.682 -8.641 1.00 1.20 H new ATOM 0 HD13 LEU A 28 0.709 -8.279 -8.336 1.00 1.20 H new ATOM 0 HD21 LEU A 28 -0.082 -11.264 -8.245 1.00 1.12 H new ATOM 0 HD22 LEU A 28 0.994 -10.483 -7.062 1.00 1.12 H new ATOM 0 HD23 LEU A 28 -0.461 -11.345 -6.508 1.00 1.12 H new ATOM 413 N ASP A 29 -3.419 -7.666 -7.721 1.00 0.34 N ATOM 414 CA ASP A 29 -4.100 -6.997 -8.825 1.00 0.46 C ATOM 415 C ASP A 29 -5.413 -6.548 -8.328 1.00 0.34 C ATOM 416 O ASP A 29 -6.473 -6.888 -8.846 1.00 0.56 O ATOM 417 CB ASP A 29 -4.259 -7.855 -10.085 1.00 0.79 C ATOM 418 CG ASP A 29 -2.978 -8.007 -10.865 1.00 1.41 C ATOM 419 OD1 ASP A 29 -2.457 -6.995 -11.395 1.00 1.85 O ATOM 420 OD2 ASP A 29 -2.447 -9.140 -10.940 1.00 2.12 O ATOM 0 H ASP A 29 -3.594 -8.669 -7.658 1.00 0.34 H new ATOM 0 HA ASP A 29 -3.480 -6.159 -9.144 1.00 0.46 H new ATOM 0 HB2 ASP A 29 -4.623 -8.842 -9.801 1.00 0.79 H new ATOM 0 HB3 ASP A 29 -5.017 -7.408 -10.728 1.00 0.79 H new ATOM 425 N LYS A 30 -5.315 -5.869 -7.250 1.00 0.26 N ATOM 426 CA LYS A 30 -6.364 -5.314 -6.555 1.00 0.21 C ATOM 427 C LYS A 30 -6.034 -3.883 -6.423 1.00 0.22 C ATOM 428 O LYS A 30 -5.184 -3.502 -5.634 1.00 0.32 O ATOM 429 CB LYS A 30 -6.522 -5.943 -5.165 1.00 0.23 C ATOM 430 CG LYS A 30 -7.074 -7.361 -5.129 1.00 0.43 C ATOM 431 CD LYS A 30 -8.533 -7.405 -5.550 1.00 0.61 C ATOM 432 CE LYS A 30 -9.164 -8.759 -5.264 1.00 0.66 C ATOM 433 NZ LYS A 30 -10.538 -8.839 -5.801 1.00 1.38 N ATOM 0 H LYS A 30 -4.414 -5.683 -6.810 1.00 0.26 H new ATOM 0 HA LYS A 30 -7.306 -5.481 -7.078 1.00 0.21 H new ATOM 0 HB2 LYS A 30 -5.548 -5.942 -4.675 1.00 0.23 H new ATOM 0 HB3 LYS A 30 -7.177 -5.305 -4.572 1.00 0.23 H new ATOM 0 HG2 LYS A 30 -6.485 -7.998 -5.789 1.00 0.43 H new ATOM 0 HG3 LYS A 30 -6.973 -7.766 -4.122 1.00 0.43 H new ATOM 0 HD2 LYS A 30 -9.087 -6.628 -5.023 1.00 0.61 H new ATOM 0 HD3 LYS A 30 -8.611 -7.186 -6.615 1.00 0.61 H new ATOM 0 HE2 LYS A 30 -8.553 -9.547 -5.705 1.00 0.66 H new ATOM 0 HE3 LYS A 30 -9.182 -8.934 -4.188 1.00 0.66 H new ATOM 0 HZ1 LYS A 30 -10.940 -9.775 -5.589 1.00 1.38 H new ATOM 0 HZ2 LYS A 30 -11.126 -8.102 -5.362 1.00 1.38 H new ATOM 0 HZ3 LYS A 30 -10.517 -8.696 -6.831 1.00 1.38 H new ATOM 447 N SER A 31 -6.557 -3.132 -7.286 1.00 0.20 N ATOM 448 CA SER A 31 -6.424 -1.734 -7.207 1.00 0.21 C ATOM 449 C SER A 31 -7.162 -1.287 -5.973 1.00 0.19 C ATOM 450 O SER A 31 -8.339 -1.578 -5.817 1.00 0.21 O ATOM 451 CB SER A 31 -7.001 -1.064 -8.457 1.00 0.26 C ATOM 452 OG SER A 31 -6.735 0.336 -8.463 1.00 1.23 O ATOM 0 H SER A 31 -7.100 -3.464 -8.083 1.00 0.20 H new ATOM 0 HA SER A 31 -5.373 -1.450 -7.149 1.00 0.21 H new ATOM 0 HB2 SER A 31 -6.572 -1.522 -9.348 1.00 0.26 H new ATOM 0 HB3 SER A 31 -8.077 -1.232 -8.499 1.00 0.26 H new ATOM 0 HG SER A 31 -5.942 0.521 -7.918 1.00 1.23 H new ATOM 458 N PHE A 32 -6.463 -0.691 -5.062 1.00 0.21 N ATOM 459 CA PHE A 32 -7.094 -0.165 -3.873 1.00 0.20 C ATOM 460 C PHE A 32 -8.248 0.768 -4.249 1.00 0.23 C ATOM 461 O PHE A 32 -9.383 0.607 -3.774 1.00 0.28 O ATOM 462 CB PHE A 32 -6.093 0.567 -3.023 1.00 0.21 C ATOM 463 CG PHE A 32 -5.175 -0.316 -2.253 1.00 0.18 C ATOM 464 CD1 PHE A 32 -3.985 -0.746 -2.790 1.00 0.17 C ATOM 465 CD2 PHE A 32 -5.505 -0.708 -0.974 1.00 0.22 C ATOM 466 CE1 PHE A 32 -3.132 -1.544 -2.072 1.00 0.18 C ATOM 467 CE2 PHE A 32 -4.666 -1.507 -0.250 1.00 0.22 C ATOM 468 CZ PHE A 32 -3.471 -1.932 -0.793 1.00 0.18 C ATOM 0 H PHE A 32 -5.454 -0.551 -5.109 1.00 0.21 H new ATOM 0 HA PHE A 32 -7.492 -1.001 -3.299 1.00 0.20 H new ATOM 0 HB2 PHE A 32 -5.498 1.218 -3.664 1.00 0.21 H new ATOM 0 HB3 PHE A 32 -6.629 1.210 -2.325 1.00 0.21 H new ATOM 0 HD1 PHE A 32 -3.718 -0.450 -3.794 1.00 0.17 H new ATOM 0 HD2 PHE A 32 -6.437 -0.380 -0.539 1.00 0.22 H new ATOM 0 HE1 PHE A 32 -2.198 -1.868 -2.507 1.00 0.18 H new ATOM 0 HE2 PHE A 32 -4.939 -1.807 0.751 1.00 0.22 H new ATOM 0 HZ PHE A 32 -2.807 -2.563 -0.221 1.00 0.18 H new ATOM 478 N THR A 33 -7.944 1.711 -5.104 1.00 0.25 N ATOM 479 CA THR A 33 -8.879 2.661 -5.648 1.00 0.37 C ATOM 480 C THR A 33 -9.712 2.108 -6.852 1.00 0.37 C ATOM 481 O THR A 33 -9.964 2.857 -7.816 1.00 0.59 O ATOM 482 CB THR A 33 -8.068 3.886 -6.113 1.00 0.56 C ATOM 483 OG1 THR A 33 -6.884 3.414 -6.803 1.00 1.39 O ATOM 484 CG2 THR A 33 -7.648 4.747 -4.936 1.00 0.88 C ATOM 0 H THR A 33 -6.995 1.843 -5.455 1.00 0.25 H new ATOM 0 HA THR A 33 -9.602 2.906 -4.870 1.00 0.37 H new ATOM 0 HB THR A 33 -8.690 4.492 -6.772 1.00 0.56 H new ATOM 0 HG1 THR A 33 -6.356 4.181 -7.108 1.00 1.39 H new ATOM 0 HG21 THR A 33 -7.078 5.603 -5.297 1.00 0.88 H new ATOM 0 HG22 THR A 33 -8.534 5.098 -4.407 1.00 0.88 H new ATOM 0 HG23 THR A 33 -7.030 4.159 -4.257 1.00 0.88 H new ATOM 492 N ASP A 34 -10.192 0.835 -6.775 1.00 0.27 N ATOM 493 CA ASP A 34 -11.035 0.241 -7.868 1.00 0.29 C ATOM 494 C ASP A 34 -11.503 -1.184 -7.534 1.00 0.30 C ATOM 495 O ASP A 34 -12.677 -1.502 -7.641 1.00 0.46 O ATOM 496 CB ASP A 34 -10.306 0.239 -9.234 1.00 0.34 C ATOM 497 CG ASP A 34 -11.174 -0.259 -10.381 1.00 0.44 C ATOM 498 OD1 ASP A 34 -12.016 0.513 -10.890 1.00 0.59 O ATOM 499 OD2 ASP A 34 -11.016 -1.419 -10.808 1.00 0.54 O ATOM 0 H ASP A 34 -10.018 0.208 -5.989 1.00 0.27 H new ATOM 0 HA ASP A 34 -11.912 0.884 -7.943 1.00 0.29 H new ATOM 0 HB2 ASP A 34 -9.966 1.250 -9.458 1.00 0.34 H new ATOM 0 HB3 ASP A 34 -9.417 -0.388 -9.162 1.00 0.34 H new ATOM 504 N ASP A 35 -10.571 -2.016 -7.134 1.00 0.22 N ATOM 505 CA ASP A 35 -10.822 -3.432 -6.784 1.00 0.25 C ATOM 506 C ASP A 35 -11.300 -3.560 -5.390 1.00 0.28 C ATOM 507 O ASP A 35 -12.331 -4.167 -5.122 1.00 0.47 O ATOM 508 CB ASP A 35 -9.539 -4.268 -6.920 1.00 0.29 C ATOM 509 CG ASP A 35 -9.279 -4.804 -8.292 1.00 0.88 C ATOM 510 OD1 ASP A 35 -9.827 -5.862 -8.659 1.00 1.28 O ATOM 511 OD2 ASP A 35 -8.488 -4.193 -9.020 1.00 1.31 O ATOM 0 H ASP A 35 -9.593 -1.743 -7.034 1.00 0.22 H new ATOM 0 HA ASP A 35 -11.583 -3.797 -7.474 1.00 0.25 H new ATOM 0 HB2 ASP A 35 -8.690 -3.655 -6.618 1.00 0.29 H new ATOM 0 HB3 ASP A 35 -9.592 -5.104 -6.223 1.00 0.29 H new ATOM 516 N LEU A 36 -10.562 -2.979 -4.501 1.00 0.19 N ATOM 517 CA LEU A 36 -10.840 -3.105 -3.107 1.00 0.18 C ATOM 518 C LEU A 36 -12.008 -2.235 -2.715 1.00 0.22 C ATOM 519 O LEU A 36 -13.156 -2.672 -2.833 1.00 0.41 O ATOM 520 CB LEU A 36 -9.581 -2.804 -2.299 1.00 0.16 C ATOM 521 CG LEU A 36 -8.375 -3.661 -2.683 1.00 0.17 C ATOM 522 CD1 LEU A 36 -7.206 -3.384 -1.797 1.00 0.21 C ATOM 523 CD2 LEU A 36 -8.727 -5.112 -2.627 1.00 0.21 C ATOM 0 H LEU A 36 -9.749 -2.403 -4.720 1.00 0.19 H new ATOM 0 HA LEU A 36 -11.132 -4.131 -2.884 1.00 0.18 H new ATOM 0 HB2 LEU A 36 -9.322 -1.753 -2.427 1.00 0.16 H new ATOM 0 HB3 LEU A 36 -9.797 -2.952 -1.241 1.00 0.16 H new ATOM 0 HG LEU A 36 -8.096 -3.401 -3.704 1.00 0.17 H new ATOM 0 HD11 LEU A 36 -6.366 -4.010 -2.097 1.00 0.21 H new ATOM 0 HD12 LEU A 36 -6.925 -2.334 -1.882 1.00 0.21 H new ATOM 0 HD13 LEU A 36 -7.472 -3.605 -0.763 1.00 0.21 H new ATOM 0 HD21 LEU A 36 -7.857 -5.708 -2.903 1.00 0.21 H new ATOM 0 HD22 LEU A 36 -9.039 -5.372 -1.615 1.00 0.21 H new ATOM 0 HD23 LEU A 36 -9.542 -5.316 -3.322 1.00 0.21 H new ATOM 535 N ASP A 37 -11.696 -1.014 -2.304 1.00 0.21 N ATOM 536 CA ASP A 37 -12.664 0.054 -1.931 1.00 0.31 C ATOM 537 C ASP A 37 -11.979 0.991 -0.959 1.00 0.32 C ATOM 538 O ASP A 37 -12.311 1.038 0.226 1.00 0.65 O ATOM 539 CB ASP A 37 -13.960 -0.460 -1.245 1.00 0.49 C ATOM 540 CG ASP A 37 -15.059 0.585 -1.205 1.00 0.82 C ATOM 541 OD1 ASP A 37 -15.790 0.720 -2.220 1.00 1.24 O ATOM 542 OD2 ASP A 37 -15.228 1.266 -0.163 1.00 1.05 O ATOM 0 H ASP A 37 -10.727 -0.710 -2.211 1.00 0.21 H new ATOM 0 HA ASP A 37 -12.964 0.534 -2.862 1.00 0.31 H new ATOM 0 HB2 ASP A 37 -14.322 -1.341 -1.776 1.00 0.49 H new ATOM 0 HB3 ASP A 37 -13.727 -0.774 -0.228 1.00 0.49 H new ATOM 547 N VAL A 38 -10.946 1.648 -1.391 1.00 0.30 N ATOM 548 CA VAL A 38 -10.319 2.568 -0.505 1.00 0.32 C ATOM 549 C VAL A 38 -10.835 3.973 -0.799 1.00 0.38 C ATOM 550 O VAL A 38 -11.527 4.190 -1.798 1.00 0.52 O ATOM 551 CB VAL A 38 -8.770 2.491 -0.564 1.00 0.37 C ATOM 552 CG1 VAL A 38 -8.218 3.165 -1.802 1.00 0.65 C ATOM 553 CG2 VAL A 38 -8.112 3.013 0.709 1.00 0.79 C ATOM 0 H VAL A 38 -10.533 1.567 -2.320 1.00 0.30 H new ATOM 0 HA VAL A 38 -10.582 2.298 0.518 1.00 0.32 H new ATOM 0 HB VAL A 38 -8.515 1.434 -0.633 1.00 0.37 H new ATOM 0 HG11 VAL A 38 -7.131 3.088 -1.804 1.00 0.65 H new ATOM 0 HG12 VAL A 38 -8.618 2.677 -2.691 1.00 0.65 H new ATOM 0 HG13 VAL A 38 -8.507 4.216 -1.804 1.00 0.65 H new ATOM 0 HG21 VAL A 38 -7.029 2.937 0.616 1.00 0.79 H new ATOM 0 HG22 VAL A 38 -8.391 4.056 0.862 1.00 0.79 H new ATOM 0 HG23 VAL A 38 -8.446 2.420 1.561 1.00 0.79 H new ATOM 563 N ASP A 39 -10.500 4.895 0.035 1.00 0.47 N ATOM 564 CA ASP A 39 -10.919 6.276 -0.102 1.00 0.61 C ATOM 565 C ASP A 39 -9.713 7.144 -0.380 1.00 0.60 C ATOM 566 O ASP A 39 -9.795 8.354 -0.314 1.00 1.08 O ATOM 567 CB ASP A 39 -11.517 6.727 1.215 1.00 0.82 C ATOM 568 CG ASP A 39 -10.489 6.788 2.342 1.00 1.49 C ATOM 569 OD1 ASP A 39 -9.563 5.996 2.341 1.00 2.28 O ATOM 570 OD2 ASP A 39 -10.636 7.620 3.283 1.00 1.92 O ATOM 0 H ASP A 39 -9.916 4.723 0.853 1.00 0.47 H new ATOM 0 HA ASP A 39 -11.640 6.360 -0.915 1.00 0.61 H new ATOM 0 HB2 ASP A 39 -11.967 7.711 1.086 1.00 0.82 H new ATOM 0 HB3 ASP A 39 -12.319 6.045 1.497 1.00 0.82 H new ATOM 575 N SER A 40 -8.588 6.471 -0.640 1.00 0.38 N ATOM 576 CA SER A 40 -7.239 7.049 -0.842 1.00 0.37 C ATOM 577 C SER A 40 -6.670 7.801 0.403 1.00 0.32 C ATOM 578 O SER A 40 -5.460 7.986 0.519 1.00 0.37 O ATOM 579 CB SER A 40 -7.162 7.919 -2.094 1.00 0.56 C ATOM 580 OG SER A 40 -7.917 9.153 -1.939 1.00 0.75 O ATOM 0 H SER A 40 -8.584 5.454 -0.721 1.00 0.38 H new ATOM 0 HA SER A 40 -6.591 6.185 -0.990 1.00 0.37 H new ATOM 0 HB2 SER A 40 -6.120 8.155 -2.310 1.00 0.56 H new ATOM 0 HB3 SER A 40 -7.546 7.362 -2.948 1.00 0.56 H new ATOM 585 N LEU A 41 -7.522 8.138 1.350 1.00 0.31 N ATOM 586 CA LEU A 41 -7.138 8.933 2.497 1.00 0.32 C ATOM 587 C LEU A 41 -6.616 8.023 3.552 1.00 0.26 C ATOM 588 O LEU A 41 -5.753 8.397 4.349 1.00 0.36 O ATOM 589 CB LEU A 41 -8.309 9.778 3.011 1.00 0.39 C ATOM 590 CG LEU A 41 -8.876 10.806 2.023 1.00 0.49 C ATOM 591 CD1 LEU A 41 -10.047 11.554 2.639 1.00 0.86 C ATOM 592 CD2 LEU A 41 -7.797 11.785 1.592 1.00 0.77 C ATOM 0 H LEU A 41 -8.505 7.866 1.345 1.00 0.31 H new ATOM 0 HA LEU A 41 -6.357 9.635 2.207 1.00 0.32 H new ATOM 0 HB2 LEU A 41 -9.114 9.106 3.309 1.00 0.39 H new ATOM 0 HB3 LEU A 41 -7.985 10.305 3.909 1.00 0.39 H new ATOM 0 HG LEU A 41 -9.231 10.270 1.143 1.00 0.49 H new ATOM 0 HD11 LEU A 41 -10.434 12.278 1.922 1.00 0.86 H new ATOM 0 HD12 LEU A 41 -10.834 10.846 2.901 1.00 0.86 H new ATOM 0 HD13 LEU A 41 -9.714 12.075 3.537 1.00 0.86 H new ATOM 0 HD21 LEU A 41 -8.219 12.506 0.892 1.00 0.77 H new ATOM 0 HD22 LEU A 41 -7.412 12.311 2.466 1.00 0.77 H new ATOM 0 HD23 LEU A 41 -6.985 11.242 1.109 1.00 0.77 H new ATOM 604 N SER A 42 -7.120 6.798 3.532 1.00 0.16 N ATOM 605 CA SER A 42 -6.626 5.754 4.358 1.00 0.19 C ATOM 606 C SER A 42 -5.198 5.528 3.995 1.00 0.15 C ATOM 607 O SER A 42 -4.358 5.393 4.843 1.00 0.15 O ATOM 608 CB SER A 42 -7.402 4.464 4.092 1.00 0.30 C ATOM 609 OG SER A 42 -8.777 4.620 4.378 1.00 0.71 O ATOM 0 H SER A 42 -7.892 6.518 2.928 1.00 0.16 H new ATOM 0 HA SER A 42 -6.734 6.027 5.408 1.00 0.19 H new ATOM 0 HB2 SER A 42 -7.277 4.171 3.050 1.00 0.30 H new ATOM 0 HB3 SER A 42 -6.991 3.659 4.701 1.00 0.30 H new ATOM 0 HG SER A 42 -9.268 4.780 3.545 1.00 0.71 H new ATOM 615 N MET A 43 -4.922 5.622 2.699 1.00 0.18 N ATOM 616 CA MET A 43 -3.623 5.301 2.155 1.00 0.21 C ATOM 617 C MET A 43 -2.586 6.272 2.632 1.00 0.18 C ATOM 618 O MET A 43 -1.412 5.954 2.684 1.00 0.21 O ATOM 619 CB MET A 43 -3.647 5.331 0.660 1.00 0.28 C ATOM 620 CG MET A 43 -2.737 4.304 0.069 1.00 0.39 C ATOM 621 SD MET A 43 -3.400 2.669 0.333 1.00 0.42 S ATOM 622 CE MET A 43 -4.888 2.833 -0.625 1.00 0.34 C ATOM 0 H MET A 43 -5.600 5.925 2.000 1.00 0.18 H new ATOM 0 HA MET A 43 -3.371 4.298 2.498 1.00 0.21 H new ATOM 0 HB2 MET A 43 -4.665 5.159 0.309 1.00 0.28 H new ATOM 0 HB3 MET A 43 -3.352 6.321 0.312 1.00 0.28 H new ATOM 0 HG2 MET A 43 -2.615 4.487 -0.999 1.00 0.39 H new ATOM 0 HG3 MET A 43 -1.748 4.381 0.521 1.00 0.39 H new ATOM 0 HE1 MET A 43 -5.534 1.974 -0.444 1.00 0.34 H new ATOM 0 HE2 MET A 43 -5.409 3.746 -0.335 1.00 0.34 H new ATOM 0 HE3 MET A 43 -4.635 2.880 -1.684 1.00 0.34 H new ATOM 632 N VAL A 44 -3.032 7.442 2.996 1.00 0.19 N ATOM 633 CA VAL A 44 -2.158 8.460 3.482 1.00 0.22 C ATOM 634 C VAL A 44 -1.561 7.999 4.822 1.00 0.20 C ATOM 635 O VAL A 44 -0.372 8.118 5.051 1.00 0.35 O ATOM 636 CB VAL A 44 -2.910 9.812 3.602 1.00 0.34 C ATOM 637 CG1 VAL A 44 -1.979 10.922 4.054 1.00 0.45 C ATOM 638 CG2 VAL A 44 -3.564 10.172 2.259 1.00 0.49 C ATOM 0 H VAL A 44 -4.015 7.712 2.962 1.00 0.19 H new ATOM 0 HA VAL A 44 -1.340 8.624 2.780 1.00 0.22 H new ATOM 0 HB VAL A 44 -3.688 9.703 4.358 1.00 0.34 H new ATOM 0 HG11 VAL A 44 -2.536 11.856 4.128 1.00 0.45 H new ATOM 0 HG12 VAL A 44 -1.560 10.671 5.028 1.00 0.45 H new ATOM 0 HG13 VAL A 44 -1.172 11.037 3.330 1.00 0.45 H new ATOM 0 HG21 VAL A 44 -4.089 11.122 2.353 1.00 0.49 H new ATOM 0 HG22 VAL A 44 -2.795 10.257 1.491 1.00 0.49 H new ATOM 0 HG23 VAL A 44 -4.272 9.392 1.979 1.00 0.49 H new ATOM 648 N GLU A 45 -2.386 7.392 5.655 1.00 0.13 N ATOM 649 CA GLU A 45 -1.922 6.843 6.909 1.00 0.14 C ATOM 650 C GLU A 45 -1.337 5.443 6.677 1.00 0.16 C ATOM 651 O GLU A 45 -0.409 5.028 7.371 1.00 0.25 O ATOM 652 CB GLU A 45 -3.066 6.783 7.914 1.00 0.20 C ATOM 653 CG GLU A 45 -3.646 8.135 8.291 1.00 0.31 C ATOM 654 CD GLU A 45 -2.651 9.020 9.005 1.00 1.00 C ATOM 655 OE1 GLU A 45 -2.410 8.822 10.201 1.00 1.07 O ATOM 656 OE2 GLU A 45 -2.074 9.926 8.366 1.00 1.85 O ATOM 0 H GLU A 45 -3.384 7.268 5.482 1.00 0.13 H new ATOM 0 HA GLU A 45 -1.143 7.488 7.314 1.00 0.14 H new ATOM 0 HB2 GLU A 45 -3.862 6.163 7.502 1.00 0.20 H new ATOM 0 HB3 GLU A 45 -2.712 6.289 8.819 1.00 0.20 H new ATOM 0 HG2 GLU A 45 -3.994 8.640 7.390 1.00 0.31 H new ATOM 0 HG3 GLU A 45 -4.517 7.986 8.929 1.00 0.31 H new ATOM 663 N VAL A 46 -1.895 4.726 5.692 1.00 0.15 N ATOM 664 CA VAL A 46 -1.434 3.387 5.324 1.00 0.20 C ATOM 665 C VAL A 46 0.021 3.393 4.892 1.00 0.24 C ATOM 666 O VAL A 46 0.840 2.677 5.464 1.00 0.30 O ATOM 667 CB VAL A 46 -2.312 2.719 4.187 1.00 0.21 C ATOM 668 CG1 VAL A 46 -1.703 1.399 3.721 1.00 0.22 C ATOM 669 CG2 VAL A 46 -3.723 2.439 4.673 1.00 0.22 C ATOM 0 H VAL A 46 -2.678 5.061 5.130 1.00 0.15 H new ATOM 0 HA VAL A 46 -1.542 2.788 6.228 1.00 0.20 H new ATOM 0 HB VAL A 46 -2.339 3.428 3.359 1.00 0.21 H new ATOM 0 HG11 VAL A 46 -2.328 0.965 2.941 1.00 0.22 H new ATOM 0 HG12 VAL A 46 -0.703 1.579 3.326 1.00 0.22 H new ATOM 0 HG13 VAL A 46 -1.642 0.709 4.563 1.00 0.22 H new ATOM 0 HG21 VAL A 46 -4.300 1.981 3.870 1.00 0.22 H new ATOM 0 HG22 VAL A 46 -3.686 1.761 5.526 1.00 0.22 H new ATOM 0 HG23 VAL A 46 -4.197 3.374 4.973 1.00 0.22 H new ATOM 679 N VAL A 47 0.368 4.216 3.920 1.00 0.30 N ATOM 680 CA VAL A 47 1.674 4.108 3.358 1.00 0.51 C ATOM 681 C VAL A 47 2.704 4.757 4.237 1.00 0.37 C ATOM 682 O VAL A 47 3.791 4.280 4.305 1.00 0.31 O ATOM 683 CB VAL A 47 1.779 4.590 1.900 1.00 0.91 C ATOM 684 CG1 VAL A 47 3.048 4.064 1.269 1.00 1.49 C ATOM 685 CG2 VAL A 47 0.592 4.141 1.097 1.00 0.96 C ATOM 0 H VAL A 47 -0.227 4.943 3.521 1.00 0.30 H new ATOM 0 HA VAL A 47 1.885 3.039 3.316 1.00 0.51 H new ATOM 0 HB VAL A 47 1.801 5.680 1.906 1.00 0.91 H new ATOM 0 HG11 VAL A 47 3.112 4.411 0.238 1.00 1.49 H new ATOM 0 HG12 VAL A 47 3.910 4.427 1.828 1.00 1.49 H new ATOM 0 HG13 VAL A 47 3.038 2.974 1.285 1.00 1.49 H new ATOM 0 HG21 VAL A 47 0.692 4.495 0.071 1.00 0.96 H new ATOM 0 HG22 VAL A 47 0.540 3.052 1.102 1.00 0.96 H new ATOM 0 HG23 VAL A 47 -0.319 4.549 1.535 1.00 0.96 H new ATOM 695 N VAL A 48 2.330 5.790 4.981 1.00 0.39 N ATOM 696 CA VAL A 48 3.253 6.388 5.960 1.00 0.39 C ATOM 697 C VAL A 48 3.636 5.350 7.027 1.00 0.30 C ATOM 698 O VAL A 48 4.776 5.308 7.515 1.00 0.37 O ATOM 699 CB VAL A 48 2.669 7.682 6.603 1.00 0.48 C ATOM 700 CG1 VAL A 48 3.509 8.163 7.782 1.00 0.84 C ATOM 701 CG2 VAL A 48 2.613 8.776 5.559 1.00 0.76 C ATOM 0 H VAL A 48 1.412 6.231 4.934 1.00 0.39 H new ATOM 0 HA VAL A 48 4.156 6.690 5.430 1.00 0.39 H new ATOM 0 HB VAL A 48 1.671 7.448 6.973 1.00 0.48 H new ATOM 0 HG11 VAL A 48 3.066 9.067 8.200 1.00 0.84 H new ATOM 0 HG12 VAL A 48 3.540 7.387 8.547 1.00 0.84 H new ATOM 0 HG13 VAL A 48 4.522 8.379 7.443 1.00 0.84 H new ATOM 0 HG21 VAL A 48 2.205 9.683 6.004 1.00 0.76 H new ATOM 0 HG22 VAL A 48 3.618 8.975 5.186 1.00 0.76 H new ATOM 0 HG23 VAL A 48 1.976 8.459 4.733 1.00 0.76 H new ATOM 711 N ALA A 49 2.708 4.466 7.306 1.00 0.20 N ATOM 712 CA ALA A 49 2.933 3.382 8.241 1.00 0.19 C ATOM 713 C ALA A 49 3.771 2.304 7.551 1.00 0.18 C ATOM 714 O ALA A 49 4.656 1.681 8.147 1.00 0.25 O ATOM 715 CB ALA A 49 1.602 2.818 8.715 1.00 0.22 C ATOM 0 H ALA A 49 1.775 4.475 6.893 1.00 0.20 H new ATOM 0 HA ALA A 49 3.471 3.747 9.116 1.00 0.19 H new ATOM 0 HB1 ALA A 49 1.781 2.004 9.417 1.00 0.22 H new ATOM 0 HB2 ALA A 49 1.029 3.603 9.208 1.00 0.22 H new ATOM 0 HB3 ALA A 49 1.041 2.442 7.860 1.00 0.22 H new ATOM 721 N ALA A 50 3.504 2.120 6.276 1.00 0.15 N ATOM 722 CA ALA A 50 4.225 1.177 5.449 1.00 0.18 C ATOM 723 C ALA A 50 5.687 1.617 5.255 1.00 0.18 C ATOM 724 O ALA A 50 6.589 0.799 5.263 1.00 0.20 O ATOM 725 CB ALA A 50 3.535 1.020 4.108 1.00 0.21 C ATOM 0 H ALA A 50 2.772 2.627 5.779 1.00 0.15 H new ATOM 0 HA ALA A 50 4.229 0.212 5.956 1.00 0.18 H new ATOM 0 HB1 ALA A 50 4.088 0.308 3.496 1.00 0.21 H new ATOM 0 HB2 ALA A 50 2.520 0.655 4.262 1.00 0.21 H new ATOM 0 HB3 ALA A 50 3.501 1.984 3.601 1.00 0.21 H new ATOM 731 N GLU A 51 5.893 2.917 5.105 1.00 0.20 N ATOM 732 CA GLU A 51 7.213 3.535 4.938 1.00 0.23 C ATOM 733 C GLU A 51 8.104 3.145 6.071 1.00 0.24 C ATOM 734 O GLU A 51 9.253 2.785 5.877 1.00 0.29 O ATOM 735 CB GLU A 51 7.112 5.057 4.981 1.00 0.23 C ATOM 736 CG GLU A 51 6.301 5.714 3.883 1.00 0.29 C ATOM 737 CD GLU A 51 6.136 7.208 4.098 1.00 0.36 C ATOM 738 OE1 GLU A 51 6.695 7.753 5.079 1.00 0.59 O ATOM 739 OE2 GLU A 51 5.454 7.856 3.301 1.00 0.73 O ATOM 0 H GLU A 51 5.131 3.595 5.095 1.00 0.20 H new ATOM 0 HA GLU A 51 7.606 3.199 3.978 1.00 0.23 H new ATOM 0 HB2 GLU A 51 6.681 5.343 5.940 1.00 0.23 H new ATOM 0 HB3 GLU A 51 8.122 5.466 4.950 1.00 0.23 H new ATOM 0 HG2 GLU A 51 6.787 5.540 2.923 1.00 0.29 H new ATOM 0 HG3 GLU A 51 5.318 5.246 3.832 1.00 0.29 H new ATOM 746 N GLU A 52 7.519 3.170 7.236 1.00 0.24 N ATOM 747 CA GLU A 52 8.195 2.954 8.474 1.00 0.30 C ATOM 748 C GLU A 52 8.606 1.492 8.569 1.00 0.28 C ATOM 749 O GLU A 52 9.780 1.171 8.753 1.00 0.41 O ATOM 750 CB GLU A 52 7.210 3.361 9.602 1.00 0.41 C ATOM 751 CG GLU A 52 7.755 3.430 11.026 1.00 1.14 C ATOM 752 CD GLU A 52 8.160 2.098 11.601 1.00 1.75 C ATOM 753 OE1 GLU A 52 7.271 1.303 11.949 1.00 2.26 O ATOM 754 OE2 GLU A 52 9.376 1.835 11.728 1.00 2.46 O ATOM 0 H GLU A 52 6.521 3.348 7.348 1.00 0.24 H new ATOM 0 HA GLU A 52 9.105 3.548 8.559 1.00 0.30 H new ATOM 0 HB2 GLU A 52 6.799 4.339 9.352 1.00 0.41 H new ATOM 0 HB3 GLU A 52 6.380 2.655 9.594 1.00 0.41 H new ATOM 0 HG2 GLU A 52 8.618 4.096 11.040 1.00 1.14 H new ATOM 0 HG3 GLU A 52 6.998 3.876 11.671 1.00 1.14 H new ATOM 761 N ARG A 53 7.659 0.629 8.334 1.00 0.21 N ATOM 762 CA ARG A 53 7.848 -0.782 8.539 1.00 0.23 C ATOM 763 C ARG A 53 8.667 -1.420 7.428 1.00 0.23 C ATOM 764 O ARG A 53 9.491 -2.300 7.671 1.00 0.32 O ATOM 765 CB ARG A 53 6.501 -1.460 8.670 1.00 0.25 C ATOM 766 CG ARG A 53 5.630 -1.420 7.436 1.00 0.23 C ATOM 767 CD ARG A 53 4.379 -2.213 7.643 1.00 0.34 C ATOM 768 NE ARG A 53 3.602 -1.707 8.779 1.00 0.86 N ATOM 769 CZ ARG A 53 2.729 -2.409 9.510 1.00 0.84 C ATOM 770 NH1 ARG A 53 2.627 -3.726 9.375 1.00 1.08 N ATOM 771 NH2 ARG A 53 2.018 -1.784 10.433 1.00 1.72 N ATOM 0 H ARG A 53 6.731 0.883 7.994 1.00 0.21 H new ATOM 0 HA ARG A 53 8.414 -0.915 9.461 1.00 0.23 H new ATOM 0 HB2 ARG A 53 6.664 -2.502 8.945 1.00 0.25 H new ATOM 0 HB3 ARG A 53 5.958 -0.994 9.492 1.00 0.25 H new ATOM 0 HG2 ARG A 53 5.376 -0.387 7.198 1.00 0.23 H new ATOM 0 HG3 ARG A 53 6.181 -1.817 6.583 1.00 0.23 H new ATOM 0 HD2 ARG A 53 3.770 -2.176 6.740 1.00 0.34 H new ATOM 0 HD3 ARG A 53 4.634 -3.259 7.813 1.00 0.34 H new ATOM 0 HE ARG A 53 3.740 -0.729 9.035 1.00 0.86 H new ATOM 0 HH11 ARG A 53 3.220 -4.218 8.706 1.00 1.08 H new ATOM 0 HH12 ARG A 53 1.956 -4.246 9.940 1.00 1.08 H new ATOM 0 HH21 ARG A 53 2.140 -0.782 10.579 1.00 1.72 H new ATOM 0 HH22 ARG A 53 1.348 -2.304 10.999 1.00 1.72 H new ATOM 785 N PHE A 54 8.463 -0.955 6.221 1.00 0.17 N ATOM 786 CA PHE A 54 9.131 -1.508 5.093 1.00 0.19 C ATOM 787 C PHE A 54 10.423 -0.784 4.838 1.00 0.20 C ATOM 788 O PHE A 54 11.170 -1.146 3.946 1.00 0.28 O ATOM 789 CB PHE A 54 8.216 -1.518 3.872 1.00 0.19 C ATOM 790 CG PHE A 54 6.994 -2.375 4.048 1.00 0.22 C ATOM 791 CD1 PHE A 54 7.100 -3.684 4.469 1.00 0.26 C ATOM 792 CD2 PHE A 54 5.736 -1.869 3.765 1.00 0.27 C ATOM 793 CE1 PHE A 54 5.980 -4.472 4.610 1.00 0.32 C ATOM 794 CE2 PHE A 54 4.616 -2.650 3.906 1.00 0.32 C ATOM 795 CZ PHE A 54 4.747 -3.949 4.418 1.00 0.34 C ATOM 0 H PHE A 54 7.830 -0.185 6.004 1.00 0.17 H new ATOM 0 HA PHE A 54 9.383 -2.547 5.306 1.00 0.19 H new ATOM 0 HB2 PHE A 54 7.906 -0.497 3.652 1.00 0.19 H new ATOM 0 HB3 PHE A 54 8.779 -1.873 3.009 1.00 0.19 H new ATOM 0 HD1 PHE A 54 8.073 -4.096 4.691 1.00 0.26 H new ATOM 0 HD2 PHE A 54 5.635 -0.847 3.429 1.00 0.27 H new ATOM 0 HE1 PHE A 54 6.086 -5.513 4.875 1.00 0.32 H new ATOM 0 HE2 PHE A 54 3.645 -2.269 3.626 1.00 0.32 H new ATOM 0 HZ PHE A 54 3.868 -4.529 4.658 1.00 0.34 H new ATOM 805 N ASP A 55 10.630 0.293 5.608 1.00 0.19 N ATOM 806 CA ASP A 55 11.879 1.097 5.660 1.00 0.26 C ATOM 807 C ASP A 55 12.224 1.764 4.314 1.00 0.29 C ATOM 808 O ASP A 55 13.241 2.456 4.183 1.00 0.47 O ATOM 809 CB ASP A 55 13.052 0.222 6.159 1.00 0.36 C ATOM 810 CG ASP A 55 14.276 1.022 6.538 1.00 0.93 C ATOM 811 OD1 ASP A 55 14.208 1.808 7.507 1.00 1.06 O ATOM 812 OD2 ASP A 55 15.338 0.848 5.913 1.00 1.56 O ATOM 0 H ASP A 55 9.912 0.649 6.238 1.00 0.19 H new ATOM 0 HA ASP A 55 11.708 1.910 6.366 1.00 0.26 H new ATOM 0 HB2 ASP A 55 12.723 -0.356 7.022 1.00 0.36 H new ATOM 0 HB3 ASP A 55 13.320 -0.492 5.380 1.00 0.36 H new ATOM 817 N VAL A 56 11.345 1.627 3.348 1.00 0.22 N ATOM 818 CA VAL A 56 11.644 2.081 2.012 1.00 0.29 C ATOM 819 C VAL A 56 11.058 3.460 1.728 1.00 0.25 C ATOM 820 O VAL A 56 11.664 4.259 1.014 1.00 0.34 O ATOM 821 CB VAL A 56 11.195 1.031 0.957 1.00 0.42 C ATOM 822 CG1 VAL A 56 9.700 0.794 0.981 1.00 0.93 C ATOM 823 CG2 VAL A 56 11.666 1.399 -0.426 1.00 1.16 C ATOM 0 H VAL A 56 10.422 1.207 3.462 1.00 0.22 H new ATOM 0 HA VAL A 56 12.726 2.187 1.936 1.00 0.29 H new ATOM 0 HB VAL A 56 11.671 0.090 1.233 1.00 0.42 H new ATOM 0 HG11 VAL A 56 9.437 0.053 0.226 1.00 0.93 H new ATOM 0 HG12 VAL A 56 9.405 0.430 1.965 1.00 0.93 H new ATOM 0 HG13 VAL A 56 9.180 1.728 0.769 1.00 0.93 H new ATOM 0 HG21 VAL A 56 11.334 0.642 -1.137 1.00 1.16 H new ATOM 0 HG22 VAL A 56 11.251 2.367 -0.706 1.00 1.16 H new ATOM 0 HG23 VAL A 56 12.755 1.454 -0.437 1.00 1.16 H new ATOM 833 N LYS A 57 9.905 3.726 2.329 1.00 0.20 N ATOM 834 CA LYS A 57 9.186 5.000 2.197 1.00 0.23 C ATOM 835 C LYS A 57 8.612 5.257 0.788 1.00 0.22 C ATOM 836 O LYS A 57 9.342 5.460 -0.187 1.00 0.31 O ATOM 837 CB LYS A 57 10.027 6.193 2.700 1.00 0.33 C ATOM 838 CG LYS A 57 9.332 7.546 2.606 1.00 0.72 C ATOM 839 CD LYS A 57 10.161 8.662 3.232 1.00 1.20 C ATOM 840 CE LYS A 57 10.349 8.462 4.737 1.00 1.08 C ATOM 841 NZ LYS A 57 11.077 9.591 5.349 1.00 1.48 N ATOM 0 H LYS A 57 9.430 3.055 2.933 1.00 0.20 H new ATOM 0 HA LYS A 57 8.318 4.906 2.849 1.00 0.23 H new ATOM 0 HB2 LYS A 57 10.303 6.013 3.739 1.00 0.33 H new ATOM 0 HB3 LYS A 57 10.953 6.235 2.127 1.00 0.33 H new ATOM 0 HG2 LYS A 57 9.139 7.782 1.559 1.00 0.72 H new ATOM 0 HG3 LYS A 57 8.364 7.491 3.104 1.00 0.72 H new ATOM 0 HD2 LYS A 57 11.136 8.704 2.747 1.00 1.20 H new ATOM 0 HD3 LYS A 57 9.674 9.620 3.052 1.00 1.20 H new ATOM 0 HE2 LYS A 57 9.375 8.355 5.215 1.00 1.08 H new ATOM 0 HE3 LYS A 57 10.896 7.536 4.916 1.00 1.08 H new ATOM 0 HZ1 LYS A 57 11.186 9.421 6.369 1.00 1.48 H new ATOM 0 HZ2 LYS A 57 12.016 9.678 4.910 1.00 1.48 H new ATOM 0 HZ3 LYS A 57 10.543 10.471 5.199 1.00 1.48 H new ATOM 855 N ILE A 58 7.298 5.214 0.696 1.00 0.18 N ATOM 856 CA ILE A 58 6.586 5.524 -0.528 1.00 0.20 C ATOM 857 C ILE A 58 5.653 6.652 -0.192 1.00 0.22 C ATOM 858 O ILE A 58 4.680 6.439 0.500 1.00 0.34 O ATOM 859 CB ILE A 58 5.699 4.342 -1.091 1.00 0.22 C ATOM 860 CG1 ILE A 58 6.437 2.998 -1.072 1.00 0.25 C ATOM 861 CG2 ILE A 58 5.199 4.666 -2.501 1.00 0.28 C ATOM 862 CD1 ILE A 58 6.491 2.335 0.297 1.00 0.52 C ATOM 0 H ILE A 58 6.689 4.961 1.474 1.00 0.18 H new ATOM 0 HA ILE A 58 7.329 5.750 -1.293 1.00 0.20 H new ATOM 0 HB ILE A 58 4.840 4.243 -0.427 1.00 0.22 H new ATOM 0 HG12 ILE A 58 5.951 2.319 -1.773 1.00 0.25 H new ATOM 0 HG13 ILE A 58 7.455 3.150 -1.430 1.00 0.25 H new ATOM 0 HG21 ILE A 58 4.591 3.840 -2.870 1.00 0.28 H new ATOM 0 HG22 ILE A 58 4.598 5.575 -2.474 1.00 0.28 H new ATOM 0 HG23 ILE A 58 6.051 4.814 -3.164 1.00 0.28 H new ATOM 0 HD11 ILE A 58 7.030 1.390 0.223 1.00 0.52 H new ATOM 0 HD12 ILE A 58 7.005 2.992 0.999 1.00 0.52 H new ATOM 0 HD13 ILE A 58 5.477 2.148 0.651 1.00 0.52 H new ATOM 874 N PRO A 59 5.967 7.866 -0.589 1.00 0.23 N ATOM 875 CA PRO A 59 5.099 9.013 -0.330 1.00 0.25 C ATOM 876 C PRO A 59 3.699 8.798 -0.926 1.00 0.19 C ATOM 877 O PRO A 59 3.573 8.209 -2.001 1.00 0.19 O ATOM 878 CB PRO A 59 5.815 10.152 -1.067 1.00 0.34 C ATOM 879 CG PRO A 59 7.236 9.728 -1.109 1.00 0.41 C ATOM 880 CD PRO A 59 7.200 8.247 -1.297 1.00 0.34 C ATOM 0 HA PRO A 59 4.947 9.198 0.733 1.00 0.25 H new ATOM 0 HB2 PRO A 59 5.412 10.291 -2.070 1.00 0.34 H new ATOM 0 HB3 PRO A 59 5.699 11.100 -0.542 1.00 0.34 H new ATOM 0 HG2 PRO A 59 7.768 10.215 -1.926 1.00 0.41 H new ATOM 0 HG3 PRO A 59 7.754 9.995 -0.188 1.00 0.41 H new ATOM 0 HD2 PRO A 59 7.164 7.973 -2.351 1.00 0.34 H new ATOM 0 HD3 PRO A 59 8.079 7.762 -0.871 1.00 0.34 H new ATOM 888 N ASP A 60 2.662 9.242 -0.224 1.00 0.21 N ATOM 889 CA ASP A 60 1.262 9.182 -0.704 1.00 0.26 C ATOM 890 C ASP A 60 1.084 9.853 -2.095 1.00 0.25 C ATOM 891 O ASP A 60 0.141 9.550 -2.834 1.00 0.35 O ATOM 892 CB ASP A 60 0.282 9.783 0.342 1.00 0.36 C ATOM 893 CG ASP A 60 0.536 11.248 0.667 1.00 0.65 C ATOM 894 OD1 ASP A 60 1.596 11.564 1.254 1.00 0.88 O ATOM 895 OD2 ASP A 60 -0.324 12.096 0.395 1.00 0.95 O ATOM 0 H ASP A 60 2.757 9.659 0.702 1.00 0.21 H new ATOM 0 HA ASP A 60 1.016 8.128 -0.830 1.00 0.26 H new ATOM 0 HB2 ASP A 60 -0.737 9.676 -0.029 1.00 0.36 H new ATOM 0 HB3 ASP A 60 0.349 9.202 1.262 1.00 0.36 H new ATOM 900 N ASP A 61 2.023 10.715 -2.451 1.00 0.22 N ATOM 901 CA ASP A 61 2.054 11.390 -3.754 1.00 0.26 C ATOM 902 C ASP A 61 2.682 10.474 -4.828 1.00 0.27 C ATOM 903 O ASP A 61 2.413 10.612 -6.006 1.00 0.33 O ATOM 904 CB ASP A 61 2.872 12.689 -3.637 1.00 0.36 C ATOM 905 CG ASP A 61 2.960 13.479 -4.927 1.00 0.75 C ATOM 906 OD1 ASP A 61 2.057 14.301 -5.197 1.00 0.81 O ATOM 907 OD2 ASP A 61 3.947 13.318 -5.676 1.00 1.16 O ATOM 0 H ASP A 61 2.798 10.974 -1.841 1.00 0.22 H new ATOM 0 HA ASP A 61 1.032 11.623 -4.053 1.00 0.26 H new ATOM 0 HB2 ASP A 61 2.427 13.319 -2.867 1.00 0.36 H new ATOM 0 HB3 ASP A 61 3.880 12.443 -3.304 1.00 0.36 H new ATOM 912 N ASP A 62 3.526 9.558 -4.389 1.00 0.25 N ATOM 913 CA ASP A 62 4.225 8.592 -5.276 1.00 0.28 C ATOM 914 C ASP A 62 3.367 7.381 -5.448 1.00 0.26 C ATOM 915 O ASP A 62 3.143 6.900 -6.543 1.00 0.36 O ATOM 916 CB ASP A 62 5.580 8.153 -4.681 1.00 0.33 C ATOM 917 CG ASP A 62 6.380 7.271 -5.623 1.00 0.89 C ATOM 918 OD1 ASP A 62 6.175 6.032 -5.607 1.00 1.58 O ATOM 919 OD2 ASP A 62 7.202 7.788 -6.386 1.00 1.58 O ATOM 0 H ASP A 62 3.760 9.447 -3.403 1.00 0.25 H new ATOM 0 HA ASP A 62 4.409 9.082 -6.232 1.00 0.28 H new ATOM 0 HB2 ASP A 62 6.166 9.038 -4.434 1.00 0.33 H new ATOM 0 HB3 ASP A 62 5.405 7.616 -3.749 1.00 0.33 H new ATOM 924 N VAL A 63 2.840 6.941 -4.325 1.00 0.21 N ATOM 925 CA VAL A 63 2.021 5.756 -4.201 1.00 0.25 C ATOM 926 C VAL A 63 0.795 5.794 -5.113 1.00 0.24 C ATOM 927 O VAL A 63 0.231 4.777 -5.423 1.00 0.26 O ATOM 928 CB VAL A 63 1.656 5.430 -2.724 1.00 0.40 C ATOM 929 CG1 VAL A 63 0.473 6.223 -2.207 1.00 0.51 C ATOM 930 CG2 VAL A 63 1.489 3.949 -2.514 1.00 0.73 C ATOM 0 H VAL A 63 2.977 7.421 -3.436 1.00 0.21 H new ATOM 0 HA VAL A 63 2.636 4.926 -4.550 1.00 0.25 H new ATOM 0 HB VAL A 63 2.503 5.754 -2.120 1.00 0.40 H new ATOM 0 HG11 VAL A 63 0.274 5.946 -1.172 1.00 0.51 H new ATOM 0 HG12 VAL A 63 0.698 7.288 -2.261 1.00 0.51 H new ATOM 0 HG13 VAL A 63 -0.405 6.006 -2.816 1.00 0.51 H new ATOM 0 HG21 VAL A 63 1.234 3.756 -1.472 1.00 0.73 H new ATOM 0 HG22 VAL A 63 0.691 3.578 -3.157 1.00 0.73 H new ATOM 0 HG23 VAL A 63 2.420 3.439 -2.761 1.00 0.73 H new ATOM 940 N LYS A 64 0.401 6.996 -5.545 1.00 0.29 N ATOM 941 CA LYS A 64 -0.717 7.154 -6.473 1.00 0.37 C ATOM 942 C LYS A 64 -0.447 6.383 -7.763 1.00 0.34 C ATOM 943 O LYS A 64 -1.351 5.849 -8.398 1.00 0.42 O ATOM 944 CB LYS A 64 -0.965 8.618 -6.823 1.00 0.51 C ATOM 945 CG LYS A 64 0.178 9.315 -7.553 1.00 0.58 C ATOM 946 CD LYS A 64 -0.217 10.689 -8.072 1.00 0.72 C ATOM 947 CE LYS A 64 -0.581 11.654 -6.961 1.00 0.61 C ATOM 948 NZ LYS A 64 -1.098 12.922 -7.505 1.00 0.87 N ATOM 0 H LYS A 64 0.841 7.872 -5.265 1.00 0.29 H new ATOM 0 HA LYS A 64 -1.602 6.760 -5.974 1.00 0.37 H new ATOM 0 HB2 LYS A 64 -1.861 8.680 -7.441 1.00 0.51 H new ATOM 0 HB3 LYS A 64 -1.174 9.164 -5.903 1.00 0.51 H new ATOM 0 HG2 LYS A 64 1.028 9.415 -6.879 1.00 0.58 H new ATOM 0 HG3 LYS A 64 0.504 8.694 -8.388 1.00 0.58 H new ATOM 0 HD2 LYS A 64 0.607 11.104 -8.652 1.00 0.72 H new ATOM 0 HD3 LYS A 64 -1.064 10.587 -8.750 1.00 0.72 H new ATOM 0 HE2 LYS A 64 -1.331 11.201 -6.313 1.00 0.61 H new ATOM 0 HE3 LYS A 64 0.296 11.850 -6.344 1.00 0.61 H new ATOM 0 HZ1 LYS A 64 -1.339 13.563 -6.722 1.00 0.87 H new ATOM 0 HZ2 LYS A 64 -0.372 13.364 -8.104 1.00 0.87 H new ATOM 0 HZ3 LYS A 64 -1.949 12.735 -8.073 1.00 0.87 H new ATOM 962 N ASN A 65 0.826 6.301 -8.084 1.00 0.30 N ATOM 963 CA ASN A 65 1.342 5.637 -9.275 1.00 0.36 C ATOM 964 C ASN A 65 1.363 4.146 -9.035 1.00 0.34 C ATOM 965 O ASN A 65 1.780 3.379 -9.882 1.00 0.56 O ATOM 966 CB ASN A 65 2.783 6.112 -9.542 1.00 0.49 C ATOM 967 CG ASN A 65 2.904 7.618 -9.705 1.00 0.64 C ATOM 968 OD1 ASN A 65 2.019 8.276 -10.261 1.00 1.09 O ATOM 969 ND2 ASN A 65 3.954 8.185 -9.154 1.00 0.67 N ATOM 0 H ASN A 65 1.561 6.708 -7.506 1.00 0.30 H new ATOM 0 HA ASN A 65 0.708 5.875 -10.129 1.00 0.36 H new ATOM 0 HB2 ASN A 65 3.421 5.791 -8.719 1.00 0.49 H new ATOM 0 HB3 ASN A 65 3.156 5.626 -10.443 1.00 0.49 H new ATOM 0 HD21 ASN A 65 4.057 9.200 -9.177 1.00 0.67 H new ATOM 0 HD22 ASN A 65 4.666 7.610 -8.703 1.00 0.67 H new ATOM 976 N LEU A 66 0.919 3.751 -7.865 1.00 0.22 N ATOM 977 CA LEU A 66 0.898 2.364 -7.460 1.00 0.23 C ATOM 978 C LEU A 66 -0.500 1.972 -7.094 1.00 0.37 C ATOM 979 O LEU A 66 -0.696 1.234 -6.161 1.00 0.89 O ATOM 980 CB LEU A 66 1.758 2.159 -6.240 1.00 0.25 C ATOM 981 CG LEU A 66 3.216 2.595 -6.341 1.00 0.30 C ATOM 982 CD1 LEU A 66 3.910 2.477 -5.007 1.00 0.41 C ATOM 983 CD2 LEU A 66 3.957 1.800 -7.376 1.00 0.31 C ATOM 0 H LEU A 66 0.558 4.391 -7.158 1.00 0.22 H new ATOM 0 HA LEU A 66 1.271 1.762 -8.289 1.00 0.23 H new ATOM 0 HB2 LEU A 66 1.301 2.695 -5.409 1.00 0.25 H new ATOM 0 HB3 LEU A 66 1.738 1.099 -5.985 1.00 0.25 H new ATOM 0 HG LEU A 66 3.218 3.641 -6.647 1.00 0.30 H new ATOM 0 HD11 LEU A 66 4.948 2.794 -5.108 1.00 0.41 H new ATOM 0 HD12 LEU A 66 3.406 3.111 -4.277 1.00 0.41 H new ATOM 0 HD13 LEU A 66 3.878 1.441 -4.671 1.00 0.41 H new ATOM 0 HD21 LEU A 66 4.993 2.137 -7.421 1.00 0.31 H new ATOM 0 HD22 LEU A 66 3.931 0.743 -7.111 1.00 0.31 H new ATOM 0 HD23 LEU A 66 3.487 1.942 -8.349 1.00 0.31 H new ATOM 995 N LYS A 67 -1.442 2.477 -7.847 1.00 0.26 N ATOM 996 CA LYS A 67 -2.893 2.222 -7.701 1.00 0.30 C ATOM 997 C LYS A 67 -3.309 0.760 -7.340 1.00 0.36 C ATOM 998 O LYS A 67 -4.424 0.538 -6.833 1.00 0.72 O ATOM 999 CB LYS A 67 -3.599 2.633 -8.970 1.00 0.45 C ATOM 1000 CG LYS A 67 -3.042 1.949 -10.201 1.00 1.06 C ATOM 1001 CD LYS A 67 -3.856 2.264 -11.433 1.00 1.55 C ATOM 1002 CE LYS A 67 -3.776 3.740 -11.779 1.00 1.97 C ATOM 1003 NZ LYS A 67 -4.593 4.084 -12.947 1.00 2.81 N ATOM 0 H LYS A 67 -1.233 3.109 -8.620 1.00 0.26 H new ATOM 0 HA LYS A 67 -3.192 2.819 -6.840 1.00 0.30 H new ATOM 0 HB2 LYS A 67 -4.660 2.402 -8.881 1.00 0.45 H new ATOM 0 HB3 LYS A 67 -3.517 3.713 -9.092 1.00 0.45 H new ATOM 0 HG2 LYS A 67 -2.010 2.264 -10.357 1.00 1.06 H new ATOM 0 HG3 LYS A 67 -3.026 0.871 -10.042 1.00 1.06 H new ATOM 0 HD2 LYS A 67 -3.495 1.670 -12.273 1.00 1.55 H new ATOM 0 HD3 LYS A 67 -4.896 1.982 -11.267 1.00 1.55 H new ATOM 0 HE2 LYS A 67 -4.104 4.330 -10.923 1.00 1.97 H new ATOM 0 HE3 LYS A 67 -2.738 4.010 -11.973 1.00 1.97 H new ATOM 0 HZ1 LYS A 67 -4.506 5.101 -13.144 1.00 2.81 H new ATOM 0 HZ2 LYS A 67 -4.265 3.542 -13.772 1.00 2.81 H new ATOM 0 HZ3 LYS A 67 -5.589 3.853 -12.755 1.00 2.81 H new ATOM 1017 N THR A 68 -2.485 -0.223 -7.634 1.00 0.21 N ATOM 1018 CA THR A 68 -2.817 -1.560 -7.269 1.00 0.19 C ATOM 1019 C THR A 68 -1.920 -2.057 -6.161 1.00 0.18 C ATOM 1020 O THR A 68 -0.817 -1.537 -5.973 1.00 0.25 O ATOM 1021 CB THR A 68 -2.801 -2.544 -8.450 1.00 0.22 C ATOM 1022 OG1 THR A 68 -1.537 -2.513 -9.103 1.00 0.34 O ATOM 1023 CG2 THR A 68 -3.872 -2.221 -9.450 1.00 0.22 C ATOM 0 H THR A 68 -1.594 -0.112 -8.119 1.00 0.21 H new ATOM 0 HA THR A 68 -3.846 -1.522 -6.912 1.00 0.19 H new ATOM 0 HB THR A 68 -2.987 -3.539 -8.045 1.00 0.22 H new ATOM 0 HG1 THR A 68 -1.558 -1.851 -9.825 1.00 0.34 H new ATOM 0 HG21 THR A 68 -3.831 -2.937 -10.271 1.00 0.22 H new ATOM 0 HG22 THR A 68 -4.848 -2.277 -8.968 1.00 0.22 H new ATOM 0 HG23 THR A 68 -3.716 -1.214 -9.838 1.00 0.22 H new ATOM 1031 N VAL A 69 -2.361 -3.088 -5.448 1.00 0.14 N ATOM 1032 CA VAL A 69 -1.544 -3.638 -4.371 1.00 0.14 C ATOM 1033 C VAL A 69 -0.197 -4.115 -4.916 1.00 0.16 C ATOM 1034 O VAL A 69 0.854 -3.832 -4.353 1.00 0.18 O ATOM 1035 CB VAL A 69 -2.190 -4.836 -3.672 1.00 0.15 C ATOM 1036 CG1 VAL A 69 -1.382 -5.139 -2.456 1.00 0.18 C ATOM 1037 CG2 VAL A 69 -3.632 -4.593 -3.296 1.00 0.15 C ATOM 0 H VAL A 69 -3.258 -3.551 -5.591 1.00 0.14 H new ATOM 0 HA VAL A 69 -1.430 -2.827 -3.651 1.00 0.14 H new ATOM 0 HB VAL A 69 -2.200 -5.679 -4.363 1.00 0.15 H new ATOM 0 HG11 VAL A 69 -1.817 -5.991 -1.933 1.00 0.18 H new ATOM 0 HG12 VAL A 69 -0.359 -5.377 -2.749 1.00 0.18 H new ATOM 0 HG13 VAL A 69 -1.378 -4.271 -1.796 1.00 0.18 H new ATOM 0 HG21 VAL A 69 -4.034 -5.479 -2.804 1.00 0.15 H new ATOM 0 HG22 VAL A 69 -3.693 -3.742 -2.617 1.00 0.15 H new ATOM 0 HG23 VAL A 69 -4.212 -4.382 -4.195 1.00 0.15 H new ATOM 1047 N GLY A 70 -0.258 -4.814 -6.018 1.00 0.17 N ATOM 1048 CA GLY A 70 0.908 -5.392 -6.636 1.00 0.20 C ATOM 1049 C GLY A 70 1.802 -4.360 -7.251 1.00 0.16 C ATOM 1050 O GLY A 70 2.971 -4.614 -7.479 1.00 0.17 O ATOM 0 H GLY A 70 -1.127 -5.001 -6.518 1.00 0.17 H new ATOM 0 HA2 GLY A 70 1.469 -5.956 -5.890 1.00 0.20 H new ATOM 0 HA3 GLY A 70 0.595 -6.101 -7.403 1.00 0.20 H new ATOM 1054 N ASP A 71 1.260 -3.185 -7.509 1.00 0.15 N ATOM 1055 CA ASP A 71 2.050 -2.103 -8.059 1.00 0.16 C ATOM 1056 C ASP A 71 2.896 -1.563 -6.931 1.00 0.14 C ATOM 1057 O ASP A 71 4.114 -1.378 -7.062 1.00 0.15 O ATOM 1058 CB ASP A 71 1.160 -0.985 -8.562 1.00 0.21 C ATOM 1059 CG ASP A 71 1.763 -0.215 -9.724 1.00 0.31 C ATOM 1060 OD1 ASP A 71 3.016 -0.192 -9.844 1.00 0.46 O ATOM 1061 OD2 ASP A 71 1.014 0.437 -10.490 1.00 0.62 O ATOM 0 H ASP A 71 0.279 -2.957 -7.347 1.00 0.15 H new ATOM 0 HA ASP A 71 2.650 -2.468 -8.892 1.00 0.16 H new ATOM 0 HB2 ASP A 71 0.202 -1.403 -8.870 1.00 0.21 H new ATOM 0 HB3 ASP A 71 0.958 -0.294 -7.743 1.00 0.21 H new ATOM 1066 N ALA A 72 2.236 -1.356 -5.790 1.00 0.15 N ATOM 1067 CA ALA A 72 2.891 -0.898 -4.571 1.00 0.16 C ATOM 1068 C ALA A 72 3.924 -1.891 -4.161 1.00 0.15 C ATOM 1069 O ALA A 72 5.087 -1.561 -4.035 1.00 0.17 O ATOM 1070 CB ALA A 72 1.882 -0.743 -3.465 1.00 0.21 C ATOM 0 H ALA A 72 1.232 -1.502 -5.689 1.00 0.15 H new ATOM 0 HA ALA A 72 3.360 0.067 -4.762 1.00 0.16 H new ATOM 0 HB1 ALA A 72 2.384 -0.400 -2.560 1.00 0.21 H new ATOM 0 HB2 ALA A 72 1.128 -0.013 -3.760 1.00 0.21 H new ATOM 0 HB3 ALA A 72 1.402 -1.703 -3.273 1.00 0.21 H new ATOM 1076 N THR A 73 3.494 -3.126 -4.035 1.00 0.14 N ATOM 1077 CA THR A 73 4.331 -4.231 -3.632 1.00 0.16 C ATOM 1078 C THR A 73 5.534 -4.389 -4.572 1.00 0.18 C ATOM 1079 O THR A 73 6.599 -4.777 -4.147 1.00 0.28 O ATOM 1080 CB THR A 73 3.491 -5.530 -3.585 1.00 0.17 C ATOM 1081 OG1 THR A 73 2.380 -5.318 -2.709 1.00 0.19 O ATOM 1082 CG2 THR A 73 4.302 -6.710 -3.076 1.00 0.19 C ATOM 0 H THR A 73 2.527 -3.396 -4.215 1.00 0.14 H new ATOM 0 HA THR A 73 4.723 -4.026 -2.636 1.00 0.16 H new ATOM 0 HB THR A 73 3.160 -5.763 -4.597 1.00 0.17 H new ATOM 0 HG1 THR A 73 1.665 -4.855 -3.194 1.00 0.19 H new ATOM 0 HG21 THR A 73 3.675 -7.602 -3.059 1.00 0.19 H new ATOM 0 HG22 THR A 73 5.154 -6.878 -3.735 1.00 0.19 H new ATOM 0 HG23 THR A 73 4.660 -6.498 -2.068 1.00 0.19 H new ATOM 1090 N LYS A 74 5.365 -3.989 -5.816 1.00 0.15 N ATOM 1091 CA LYS A 74 6.408 -4.094 -6.806 1.00 0.18 C ATOM 1092 C LYS A 74 7.506 -3.127 -6.434 1.00 0.18 C ATOM 1093 O LYS A 74 8.641 -3.518 -6.223 1.00 0.26 O ATOM 1094 CB LYS A 74 5.853 -3.701 -8.165 1.00 0.23 C ATOM 1095 CG LYS A 74 6.644 -4.195 -9.357 1.00 0.39 C ATOM 1096 CD LYS A 74 6.522 -5.707 -9.505 1.00 1.21 C ATOM 1097 CE LYS A 74 5.054 -6.153 -9.576 1.00 1.65 C ATOM 1098 NZ LYS A 74 4.298 -5.470 -10.652 1.00 2.01 N ATOM 0 H LYS A 74 4.498 -3.582 -6.166 1.00 0.15 H new ATOM 0 HA LYS A 74 6.787 -5.115 -6.847 1.00 0.18 H new ATOM 0 HB2 LYS A 74 4.834 -4.079 -8.245 1.00 0.23 H new ATOM 0 HB3 LYS A 74 5.795 -2.614 -8.214 1.00 0.23 H new ATOM 0 HG2 LYS A 74 6.285 -3.707 -10.263 1.00 0.39 H new ATOM 0 HG3 LYS A 74 7.693 -3.921 -9.241 1.00 0.39 H new ATOM 0 HD2 LYS A 74 7.044 -6.028 -10.406 1.00 1.21 H new ATOM 0 HD3 LYS A 74 7.011 -6.196 -8.662 1.00 1.21 H new ATOM 0 HE2 LYS A 74 5.014 -7.230 -9.737 1.00 1.65 H new ATOM 0 HE3 LYS A 74 4.572 -5.956 -8.618 1.00 1.65 H new ATOM 0 HZ1 LYS A 74 3.351 -5.892 -10.732 1.00 2.01 H new ATOM 0 HZ2 LYS A 74 4.209 -4.459 -10.426 1.00 2.01 H new ATOM 0 HZ3 LYS A 74 4.803 -5.579 -11.554 1.00 2.01 H new ATOM 1112 N TYR A 75 7.113 -1.873 -6.270 1.00 0.15 N ATOM 1113 CA TYR A 75 8.004 -0.795 -5.948 1.00 0.16 C ATOM 1114 C TYR A 75 8.643 -1.015 -4.578 1.00 0.16 C ATOM 1115 O TYR A 75 9.852 -0.828 -4.396 1.00 0.18 O ATOM 1116 CB TYR A 75 7.198 0.510 -5.975 1.00 0.22 C ATOM 1117 CG TYR A 75 7.962 1.731 -5.560 1.00 0.26 C ATOM 1118 CD1 TYR A 75 9.013 2.207 -6.325 1.00 0.49 C ATOM 1119 CD2 TYR A 75 7.624 2.414 -4.414 1.00 0.32 C ATOM 1120 CE1 TYR A 75 9.709 3.331 -5.950 1.00 0.56 C ATOM 1121 CE2 TYR A 75 8.310 3.537 -4.029 1.00 0.37 C ATOM 1122 CZ TYR A 75 9.389 3.972 -4.784 1.00 0.44 C ATOM 1123 OH TYR A 75 10.063 5.124 -4.412 1.00 0.50 O ATOM 0 H TYR A 75 6.140 -1.581 -6.362 1.00 0.15 H new ATOM 0 HA TYR A 75 8.814 -0.746 -6.676 1.00 0.16 H new ATOM 0 HB2 TYR A 75 6.816 0.664 -6.984 1.00 0.22 H new ATOM 0 HB3 TYR A 75 6.333 0.400 -5.320 1.00 0.22 H new ATOM 0 HD1 TYR A 75 9.290 1.687 -7.230 1.00 0.49 H new ATOM 0 HD2 TYR A 75 6.804 2.059 -3.807 1.00 0.32 H new ATOM 0 HE1 TYR A 75 10.506 3.707 -6.574 1.00 0.56 H new ATOM 0 HE2 TYR A 75 8.012 4.079 -3.144 1.00 0.37 H new ATOM 0 HH TYR A 75 9.709 5.449 -3.558 1.00 0.50 H new ATOM 1133 N ILE A 76 7.834 -1.447 -3.644 1.00 0.16 N ATOM 1134 CA ILE A 76 8.259 -1.665 -2.289 1.00 0.18 C ATOM 1135 C ILE A 76 9.250 -2.847 -2.190 1.00 0.21 C ATOM 1136 O ILE A 76 10.257 -2.741 -1.512 1.00 0.32 O ATOM 1137 CB ILE A 76 7.027 -1.880 -1.345 1.00 0.18 C ATOM 1138 CG1 ILE A 76 6.117 -0.653 -1.402 1.00 0.20 C ATOM 1139 CG2 ILE A 76 7.461 -2.133 0.097 1.00 0.28 C ATOM 1140 CD1 ILE A 76 4.862 -0.755 -0.566 1.00 0.21 C ATOM 0 H ILE A 76 6.850 -1.659 -3.808 1.00 0.16 H new ATOM 0 HA ILE A 76 8.785 -0.769 -1.959 1.00 0.18 H new ATOM 0 HB ILE A 76 6.486 -2.761 -1.692 1.00 0.18 H new ATOM 0 HG12 ILE A 76 6.685 0.218 -1.075 1.00 0.20 H new ATOM 0 HG13 ILE A 76 5.832 -0.477 -2.439 1.00 0.20 H new ATOM 0 HG21 ILE A 76 6.580 -2.277 0.722 1.00 0.28 H new ATOM 0 HG22 ILE A 76 8.085 -3.026 0.138 1.00 0.28 H new ATOM 0 HG23 ILE A 76 8.028 -1.277 0.462 1.00 0.28 H new ATOM 0 HD11 ILE A 76 4.280 0.161 -0.670 1.00 0.21 H new ATOM 0 HD12 ILE A 76 4.267 -1.603 -0.905 1.00 0.21 H new ATOM 0 HD13 ILE A 76 5.132 -0.897 0.480 1.00 0.21 H new ATOM 1152 N LEU A 77 8.963 -3.949 -2.886 1.00 0.19 N ATOM 1153 CA LEU A 77 9.798 -5.162 -2.821 1.00 0.23 C ATOM 1154 C LEU A 77 11.100 -4.918 -3.576 1.00 0.29 C ATOM 1155 O LEU A 77 12.189 -5.265 -3.106 1.00 0.34 O ATOM 1156 CB LEU A 77 9.032 -6.356 -3.439 1.00 0.23 C ATOM 1157 CG LEU A 77 9.467 -7.793 -3.066 1.00 0.34 C ATOM 1158 CD1 LEU A 77 8.473 -8.779 -3.638 1.00 0.92 C ATOM 1159 CD2 LEU A 77 10.859 -8.143 -3.570 1.00 0.87 C ATOM 0 H LEU A 77 8.157 -4.032 -3.505 1.00 0.19 H new ATOM 0 HA LEU A 77 10.028 -5.396 -1.782 1.00 0.23 H new ATOM 0 HB2 LEU A 77 7.981 -6.249 -3.170 1.00 0.23 H new ATOM 0 HB3 LEU A 77 9.095 -6.263 -4.523 1.00 0.23 H new ATOM 0 HG LEU A 77 9.494 -7.847 -1.978 1.00 0.34 H new ATOM 0 HD11 LEU A 77 8.776 -9.793 -3.378 1.00 0.92 H new ATOM 0 HD12 LEU A 77 7.484 -8.579 -3.227 1.00 0.92 H new ATOM 0 HD13 LEU A 77 8.442 -8.677 -4.723 1.00 0.92 H new ATOM 0 HD21 LEU A 77 11.106 -9.163 -3.277 1.00 0.87 H new ATOM 0 HD22 LEU A 77 10.884 -8.062 -4.657 1.00 0.87 H new ATOM 0 HD23 LEU A 77 11.586 -7.455 -3.138 1.00 0.87 H new ATOM 1171 N ASP A 78 10.976 -4.297 -4.729 1.00 0.33 N ATOM 1172 CA ASP A 78 12.114 -3.970 -5.595 1.00 0.41 C ATOM 1173 C ASP A 78 13.118 -3.108 -4.844 1.00 0.45 C ATOM 1174 O ASP A 78 14.325 -3.269 -4.969 1.00 0.53 O ATOM 1175 CB ASP A 78 11.599 -3.206 -6.816 1.00 0.43 C ATOM 1176 CG ASP A 78 12.658 -2.835 -7.812 1.00 0.52 C ATOM 1177 OD1 ASP A 78 13.333 -1.799 -7.621 1.00 0.54 O ATOM 1178 OD2 ASP A 78 12.879 -3.589 -8.767 1.00 0.68 O ATOM 0 H ASP A 78 10.077 -3.997 -5.106 1.00 0.33 H new ATOM 0 HA ASP A 78 12.608 -4.890 -5.907 1.00 0.41 H new ATOM 0 HB2 ASP A 78 10.844 -3.813 -7.316 1.00 0.43 H new ATOM 0 HB3 ASP A 78 11.103 -2.297 -6.477 1.00 0.43 H new ATOM 1183 N HIS A 79 12.594 -2.231 -4.027 1.00 0.41 N ATOM 1184 CA HIS A 79 13.380 -1.284 -3.283 1.00 0.47 C ATOM 1185 C HIS A 79 13.696 -1.714 -1.858 1.00 0.52 C ATOM 1186 O HIS A 79 14.240 -0.926 -1.088 1.00 0.74 O ATOM 1187 CB HIS A 79 12.742 0.085 -3.322 1.00 0.47 C ATOM 1188 CG HIS A 79 13.009 0.820 -4.585 1.00 0.52 C ATOM 1189 ND1 HIS A 79 13.902 1.850 -4.664 1.00 0.73 N ATOM 1190 CD2 HIS A 79 12.519 0.653 -5.831 1.00 0.53 C ATOM 1191 CE1 HIS A 79 13.960 2.284 -5.902 1.00 0.79 C ATOM 1192 NE2 HIS A 79 13.130 1.574 -6.634 1.00 0.67 N ATOM 0 H HIS A 79 11.591 -2.155 -3.858 1.00 0.41 H new ATOM 0 HA HIS A 79 14.348 -1.240 -3.783 1.00 0.47 H new ATOM 0 HB2 HIS A 79 11.665 -0.019 -3.191 1.00 0.47 H new ATOM 0 HB3 HIS A 79 13.110 0.674 -2.482 1.00 0.47 H new ATOM 0 HD2 HIS A 79 11.781 -0.074 -6.137 1.00 0.53 H new ATOM 0 HE1 HIS A 79 14.585 3.089 -6.259 1.00 0.79 H new ATOM 0 HE2 HIS A 79 12.969 1.691 -7.634 1.00 0.67 H new ATOM 1201 N GLN A 80 13.326 -2.934 -1.497 1.00 0.47 N ATOM 1202 CA GLN A 80 13.603 -3.466 -0.153 1.00 0.52 C ATOM 1203 C GLN A 80 15.080 -3.425 0.180 1.00 0.62 C ATOM 1204 O GLN A 80 15.900 -3.955 -0.575 1.00 0.89 O ATOM 1205 CB GLN A 80 13.127 -4.905 -0.024 1.00 0.64 C ATOM 1206 CG GLN A 80 11.644 -5.057 0.009 1.00 0.53 C ATOM 1207 CD GLN A 80 11.030 -4.632 1.314 1.00 0.58 C ATOM 1208 OE1 GLN A 80 11.617 -4.792 2.385 1.00 1.07 O ATOM 1209 NE2 GLN A 80 9.901 -4.026 1.240 1.00 0.53 N ATOM 0 H GLN A 80 12.832 -3.582 -2.111 1.00 0.47 H new ATOM 0 HA GLN A 80 13.060 -2.828 0.544 1.00 0.52 H new ATOM 0 HB2 GLN A 80 13.522 -5.483 -0.860 1.00 0.64 H new ATOM 0 HB3 GLN A 80 13.545 -5.334 0.886 1.00 0.64 H new ATOM 0 HG2 GLN A 80 11.208 -4.469 -0.798 1.00 0.53 H new ATOM 0 HG3 GLN A 80 11.388 -6.099 -0.182 1.00 0.53 H new ATOM 0 HE21 GLN A 80 9.442 -3.911 0.336 1.00 0.53 H new ATOM 0 HE22 GLN A 80 9.463 -3.659 2.085 1.00 0.53 H new ATOM 1218 N ALA A 81 15.384 -2.772 1.285 1.00 0.73 N ATOM 1219 CA ALA A 81 16.708 -2.698 1.874 1.00 0.89 C ATOM 1220 C ALA A 81 17.760 -2.223 0.874 1.00 1.93 C ATOM 1221 O ALA A 81 17.854 -0.996 0.640 1.00 2.48 O ATOM 1222 CB ALA A 81 17.081 -4.044 2.489 1.00 1.57 C ATOM 1223 OXT ALA A 81 18.514 -3.067 0.327 1.00 2.75 O ATOM 0 H ALA A 81 14.685 -2.256 1.820 1.00 0.73 H new ATOM 0 HA ALA A 81 16.683 -1.949 2.666 1.00 0.89 H new ATOM 0 HB1 ALA A 81 18.076 -3.980 2.929 1.00 1.57 H new ATOM 0 HB2 ALA A 81 16.358 -4.303 3.263 1.00 1.57 H new ATOM 0 HB3 ALA A 81 17.075 -4.812 1.715 1.00 1.57 H new TER 1229 ALA A 81 HETATM 1230 P24 SXH A 101 -7.666 10.310 -2.956 1.00 0.86 P HETATM 1231 O26 SXH A 101 -8.917 11.077 -3.082 1.00 1.13 O HETATM 1232 O23 SXH A 101 -7.051 9.783 -4.189 1.00 1.10 O HETATM 1233 O27 SXH A 101 -6.600 11.286 -2.284 1.00 0.87 O HETATM 1234 C28 SXH A 101 -5.306 10.714 -1.860 1.00 0.52 C HETATM 1235 C29 SXH A 101 -4.252 11.801 -1.539 1.00 0.73 C HETATM 1236 C30 SXH A 101 -4.807 12.677 -0.438 1.00 1.22 C HETATM 1237 C31 SXH A 101 -2.992 11.128 -1.071 1.00 1.14 C HETATM 1238 C32 SXH A 101 -3.875 12.692 -2.798 1.00 1.23 C HETATM 1239 O33 SXH A 101 -2.930 13.695 -2.422 1.00 1.96 O HETATM 1240 C34 SXH A 101 -3.212 11.868 -3.887 1.00 1.30 C HETATM 1241 O35 SXH A 101 -2.005 11.996 -4.107 1.00 2.26 O HETATM 1242 N36 SXH A 101 -3.967 11.050 -4.537 1.00 0.83 N HETATM 1243 C37 SXH A 101 -3.517 10.177 -5.597 1.00 1.02 C HETATM 1244 C38 SXH A 101 -4.388 8.957 -5.726 1.00 1.13 C HETATM 1245 C39 SXH A 101 -4.340 8.008 -4.548 1.00 0.88 C HETATM 1246 O40 SXH A 101 -5.279 7.234 -4.333 1.00 1.41 O HETATM 1247 N41 SXH A 101 -3.225 8.071 -3.789 1.00 0.55 N HETATM 1248 C42 SXH A 101 -2.973 7.251 -2.606 1.00 0.93 C HETATM 1249 C43 SXH A 101 -3.117 5.779 -2.903 1.00 0.65 C HETATM 1250 S1 SXH A 101 -2.505 5.462 -4.459 1.00 1.15 S HETATM 1251 C1 SXH A 101 -2.734 3.772 -4.418 1.00 0.81 C HETATM 1252 O1 SXH A 101 -3.673 3.190 -4.984 1.00 1.38 O HETATM 1253 C2 SXH A 101 -1.638 3.038 -3.690 1.00 0.61 C HETATM 1254 C3 SXH A 101 -1.977 1.636 -3.338 1.00 0.46 C HETATM 1255 C4 SXH A 101 -0.868 0.953 -2.561 1.00 0.62 C HETATM 1256 C5 SXH A 101 -0.660 1.560 -1.193 1.00 0.60 C HETATM 1257 C6 SXH A 101 0.447 0.840 -0.475 1.00 0.67 C HETATM 0 HO33 SXH A 101 -2.065 13.503 -2.840 1.00 1.96 H new HETATM 0 HN41 SXH A 101 -2.505 8.741 -4.062 1.00 0.55 H new HETATM 0 HN36 SXH A 101 -4.955 11.016 -4.285 1.00 0.83 H new HETATM 0 H43A SXH A 101 -2.578 5.191 -2.160 1.00 0.65 H new HETATM 0 H42A SXH A 101 -1.968 7.450 -2.233 1.00 0.93 H new HETATM 0 H38A SXH A 101 -5.419 9.279 -5.872 1.00 1.13 H new HETATM 0 H37A SXH A 101 -3.514 10.723 -6.541 1.00 1.02 H new HETATM 0 H31B SXH A 101 -3.203 10.542 -0.176 1.00 1.14 H new HETATM 0 H31A SXH A 101 -2.618 10.470 -1.856 1.00 1.14 H new HETATM 0 H30B SXH A 101 -5.735 13.140 -0.774 1.00 1.22 H new HETATM 0 H30A SXH A 101 -5.003 12.070 0.446 1.00 1.22 H new HETATM 0 H28A SXH A 101 -5.460 10.091 -0.979 1.00 0.52 H new HETATM 0 H6B SXH A 101 0.185 -0.212 -0.364 1.00 0.67 H new HETATM 0 H6A SXH A 101 1.369 0.926 -1.049 1.00 0.67 H new HETATM 0 H6 SXH A 101 0.591 1.284 0.510 1.00 0.67 H new HETATM 0 H5A SXH A 101 -0.415 2.618 -1.289 1.00 0.60 H new HETATM 0 H5 SXH A 101 -1.581 1.497 -0.614 1.00 0.60 H new HETATM 0 H4A SXH A 101 -1.104 -0.106 -2.453 1.00 0.62 H new HETATM 0 H43 SXH A 101 -4.165 5.484 -2.844 1.00 0.65 H new HETATM 0 H42 SXH A 101 -3.668 7.532 -1.815 1.00 0.93 H new HETATM 0 H4 SXH A 101 0.061 1.017 -3.128 1.00 0.62 H new HETATM 0 H3A SXH A 101 -2.893 1.624 -2.747 1.00 0.46 H new HETATM 0 H38 SXH A 101 -4.094 8.413 -6.624 1.00 1.13 H new HETATM 0 H37 SXH A 101 -2.489 9.871 -5.403 1.00 1.02 H new HETATM 0 H32 SXH A 101 -4.805 13.126 -3.164 1.00 1.23 H new HETATM 0 H31 SXH A 101 -2.240 11.883 -0.841 1.00 1.14 H new HETATM 0 H30 SXH A 101 -4.083 13.454 -0.191 1.00 1.22 H new HETATM 0 H3 SXH A 101 -2.178 1.073 -4.250 1.00 0.46 H new HETATM 0 H2A SXH A 101 -0.741 3.039 -4.310 1.00 0.61 H new HETATM 0 H28 SXH A 101 -4.924 10.064 -2.648 1.00 0.52 H new HETATM 0 H2 SXH A 101 -1.395 3.582 -2.777 1.00 0.61 H new