USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 681 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 47 TYR OH : rot -99:sc= 0.127 USER MOD Set 1.2: A 56 HIS : no HE2:sc= -1.71 X(o=-1.6,f=-1.5) USER MOD Single : A 1 MET CE :methyl 179:sc=-0.00207 (180deg=-0.00694) USER MOD Single : A 1 MET N :NH3+ -104:sc= 0.0806 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -1.28 K(o=-1.3,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.245 2.966 9.116 1.00 0.00 N ATOM 2 CA MET A 1 -16.712 2.839 7.764 1.00 0.00 C ATOM 3 C MET A 1 -16.497 1.373 7.401 1.00 0.00 C ATOM 4 O MET A 1 -16.386 0.516 8.278 1.00 0.00 O ATOM 5 CB MET A 1 -15.395 3.607 7.637 1.00 0.00 C ATOM 6 CG MET A 1 -15.562 5.116 7.713 1.00 0.00 C ATOM 7 SD MET A 1 -14.183 6.005 6.964 1.00 0.00 S ATOM 8 CE MET A 1 -12.855 5.577 8.086 1.00 0.00 C ATOM 0 H1 MET A 1 -18.260 3.188 9.070 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.109 2.071 9.628 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.746 3.730 9.615 1.00 0.00 H new ATOM 0 HA MET A 1 -17.439 3.264 7.072 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.718 3.284 8.428 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.923 3.349 6.689 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.488 5.401 7.213 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.658 5.415 8.757 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.928 6.039 7.746 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.094 5.937 9.087 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.734 4.494 8.110 1.00 0.00 H new ATOM 18 N ARG A 2 -16.438 1.092 6.103 1.00 0.00 N ATOM 19 CA ARG A 2 -16.238 -0.270 5.625 1.00 0.00 C ATOM 20 C ARG A 2 -14.831 -0.447 5.062 1.00 0.00 C ATOM 21 O ARG A 2 -14.604 -0.278 3.863 1.00 0.00 O ATOM 22 CB ARG A 2 -17.274 -0.615 4.554 1.00 0.00 C ATOM 23 CG ARG A 2 -18.631 -0.999 5.120 1.00 0.00 C ATOM 24 CD ARG A 2 -19.514 -1.645 4.064 1.00 0.00 C ATOM 25 NE ARG A 2 -20.904 -1.747 4.500 1.00 0.00 N ATOM 26 CZ ARG A 2 -21.735 -0.711 4.554 1.00 0.00 C ATOM 27 NH1 ARG A 2 -21.318 0.497 4.201 1.00 0.00 N ATOM 28 NH2 ARG A 2 -22.986 -0.884 4.961 1.00 0.00 N ATOM 0 H ARG A 2 -16.526 1.790 5.364 1.00 0.00 H new ATOM 0 HA ARG A 2 -16.361 -0.947 6.471 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -17.396 0.241 3.890 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -16.897 -1.438 3.948 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -18.497 -1.688 5.954 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -19.125 -0.112 5.516 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -19.465 -1.062 3.144 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -19.133 -2.640 3.832 1.00 0.00 H new ATOM 0 HE ARG A 2 -21.256 -2.663 4.778 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -20.357 0.633 3.887 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -21.958 1.290 4.243 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -23.310 -1.812 5.233 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -23.623 -0.089 5.002 1.00 0.00 H new ATOM 42 N LEU A 3 -13.889 -0.788 5.934 1.00 0.00 N ATOM 43 CA LEU A 3 -12.503 -0.988 5.525 1.00 0.00 C ATOM 44 C LEU A 3 -12.007 -2.370 5.938 1.00 0.00 C ATOM 45 O LEU A 3 -12.556 -2.992 6.847 1.00 0.00 O ATOM 46 CB LEU A 3 -11.609 0.092 6.138 1.00 0.00 C ATOM 47 CG LEU A 3 -12.024 1.539 5.870 1.00 0.00 C ATOM 48 CD1 LEU A 3 -11.132 2.501 6.639 1.00 0.00 C ATOM 49 CD2 LEU A 3 -11.976 1.840 4.379 1.00 0.00 C ATOM 0 H LEU A 3 -14.060 -0.932 6.929 1.00 0.00 H new ATOM 0 HA LEU A 3 -12.457 -0.916 4.438 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -11.576 -0.061 7.217 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -10.595 -0.049 5.764 1.00 0.00 H new ATOM 0 HG LEU A 3 -13.049 1.673 6.214 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -11.442 3.526 6.436 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -11.217 2.301 7.707 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -10.097 2.366 6.326 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -12.274 2.874 4.207 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -10.962 1.689 4.010 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -12.658 1.173 3.851 1.00 0.00 H new ATOM 61 N VAL A 4 -10.962 -2.843 5.266 1.00 0.00 N ATOM 62 CA VAL A 4 -10.389 -4.150 5.565 1.00 0.00 C ATOM 63 C VAL A 4 -8.890 -4.169 5.289 1.00 0.00 C ATOM 64 O VAL A 4 -8.403 -3.466 4.405 1.00 0.00 O ATOM 65 CB VAL A 4 -11.066 -5.261 4.741 1.00 0.00 C ATOM 66 CG1 VAL A 4 -12.499 -5.473 5.204 1.00 0.00 C ATOM 67 CG2 VAL A 4 -11.020 -4.927 3.257 1.00 0.00 C ATOM 0 H VAL A 4 -10.495 -2.341 4.511 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.562 -4.337 6.625 1.00 0.00 H new ATOM 0 HB VAL A 4 -10.518 -6.190 4.898 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -12.960 -6.262 4.610 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -12.503 -5.761 6.255 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -13.062 -4.548 5.079 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -11.503 -5.723 2.690 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -11.542 -3.987 3.079 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -9.982 -4.832 2.937 1.00 0.00 H new ATOM 77 N GLU A 5 -8.164 -4.979 6.053 1.00 0.00 N ATOM 78 CA GLU A 5 -6.719 -5.089 5.890 1.00 0.00 C ATOM 79 C GLU A 5 -6.370 -6.046 4.754 1.00 0.00 C ATOM 80 O GLU A 5 -6.791 -7.203 4.752 1.00 0.00 O ATOM 81 CB GLU A 5 -6.072 -5.568 7.191 1.00 0.00 C ATOM 82 CG GLU A 5 -4.564 -5.730 7.098 1.00 0.00 C ATOM 83 CD GLU A 5 -3.941 -6.164 8.410 1.00 0.00 C ATOM 84 OE1 GLU A 5 -3.839 -5.322 9.326 1.00 0.00 O ATOM 85 OE2 GLU A 5 -3.556 -7.347 8.521 1.00 0.00 O ATOM 0 H GLU A 5 -8.552 -5.568 6.790 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.331 -4.101 5.641 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -6.304 -4.858 7.985 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.514 -6.522 7.477 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.328 -6.464 6.328 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -4.120 -4.785 6.784 1.00 0.00 H new ATOM 92 N ILE A 6 -5.600 -5.554 3.789 1.00 0.00 N ATOM 93 CA ILE A 6 -5.194 -6.365 2.648 1.00 0.00 C ATOM 94 C ILE A 6 -3.707 -6.694 2.708 1.00 0.00 C ATOM 95 O ILE A 6 -3.287 -7.792 2.343 1.00 0.00 O ATOM 96 CB ILE A 6 -5.498 -5.654 1.316 1.00 0.00 C ATOM 97 CG1 ILE A 6 -4.955 -4.224 1.341 1.00 0.00 C ATOM 98 CG2 ILE A 6 -6.995 -5.653 1.045 1.00 0.00 C ATOM 99 CD1 ILE A 6 -5.139 -3.484 0.035 1.00 0.00 C ATOM 0 H ILE A 6 -5.245 -4.598 3.775 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.770 -7.289 2.697 1.00 0.00 H new ATOM 0 HB ILE A 6 -5.003 -6.197 0.511 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.452 -3.669 2.137 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.893 -4.252 1.587 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.193 -5.147 0.100 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.355 -6.680 0.989 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -7.510 -5.131 1.851 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.731 -2.477 0.126 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.618 -4.016 -0.761 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -6.201 -3.425 -0.203 1.00 0.00 H new ATOM 111 N GLY A 7 -2.912 -5.735 3.174 1.00 0.00 N ATOM 112 CA GLY A 7 -1.479 -5.943 3.275 1.00 0.00 C ATOM 113 C GLY A 7 -0.832 -5.029 4.296 1.00 0.00 C ATOM 114 O GLY A 7 -1.473 -4.116 4.817 1.00 0.00 O ATOM 0 H GLY A 7 -3.235 -4.818 3.483 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.284 -6.981 3.545 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.021 -5.776 2.300 1.00 0.00 H new ATOM 118 N ARG A 8 0.442 -5.275 4.585 1.00 0.00 N ATOM 119 CA ARG A 8 1.175 -4.468 5.553 1.00 0.00 C ATOM 120 C ARG A 8 2.561 -4.110 5.024 1.00 0.00 C ATOM 121 O ARG A 8 3.193 -4.901 4.323 1.00 0.00 O ATOM 122 CB ARG A 8 1.303 -5.218 6.881 1.00 0.00 C ATOM 123 CG ARG A 8 2.012 -4.422 7.964 1.00 0.00 C ATOM 124 CD ARG A 8 2.159 -5.231 9.244 1.00 0.00 C ATOM 125 NE ARG A 8 3.005 -6.406 9.054 1.00 0.00 N ATOM 126 CZ ARG A 8 2.556 -7.569 8.595 1.00 0.00 C ATOM 127 NH1 ARG A 8 1.276 -7.711 8.281 1.00 0.00 N ATOM 128 NH2 ARG A 8 3.388 -8.592 8.450 1.00 0.00 N ATOM 0 H ARG A 8 0.988 -6.026 4.163 1.00 0.00 H new ATOM 0 HA ARG A 8 0.617 -3.546 5.716 1.00 0.00 H new ATOM 0 HB2 ARG A 8 0.308 -5.488 7.233 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.845 -6.149 6.712 1.00 0.00 H new ATOM 0 HG2 ARG A 8 2.997 -4.119 7.609 1.00 0.00 H new ATOM 0 HG3 ARG A 8 1.453 -3.509 8.171 1.00 0.00 H new ATOM 0 HD2 ARG A 8 2.584 -4.600 10.025 1.00 0.00 H new ATOM 0 HD3 ARG A 8 1.174 -5.545 9.589 1.00 0.00 H new ATOM 0 HE ARG A 8 3.995 -6.330 9.287 1.00 0.00 H new ATOM 0 HH11 ARG A 8 0.634 -6.926 8.392 1.00 0.00 H new ATOM 0 HH12 ARG A 8 0.933 -8.605 7.929 1.00 0.00 H new ATOM 0 HH21 ARG A 8 4.373 -8.486 8.691 1.00 0.00 H new ATOM 0 HH22 ARG A 8 3.042 -9.485 8.098 1.00 0.00 H new ATOM 142 N PHE A 9 3.027 -2.913 5.364 1.00 0.00 N ATOM 143 CA PHE A 9 4.337 -2.449 4.922 1.00 0.00 C ATOM 144 C PHE A 9 5.452 -3.169 5.676 1.00 0.00 C ATOM 145 O PHE A 9 5.373 -3.361 6.889 1.00 0.00 O ATOM 146 CB PHE A 9 4.462 -0.938 5.126 1.00 0.00 C ATOM 147 CG PHE A 9 3.492 -0.140 4.302 1.00 0.00 C ATOM 148 CD1 PHE A 9 3.270 -0.455 2.971 1.00 0.00 C ATOM 149 CD2 PHE A 9 2.801 0.924 4.859 1.00 0.00 C ATOM 150 CE1 PHE A 9 2.379 0.278 2.211 1.00 0.00 C ATOM 151 CE2 PHE A 9 1.908 1.661 4.103 1.00 0.00 C ATOM 152 CZ PHE A 9 1.696 1.336 2.778 1.00 0.00 C ATOM 0 H PHE A 9 2.517 -2.247 5.944 1.00 0.00 H new ATOM 0 HA PHE A 9 4.435 -2.675 3.860 1.00 0.00 H new ATOM 0 HB2 PHE A 9 4.307 -0.708 6.180 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.477 -0.629 4.878 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.799 -1.283 2.523 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.962 1.181 5.896 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.217 0.024 1.174 1.00 0.00 H new ATOM 0 HE2 PHE A 9 1.377 2.489 4.548 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.997 1.908 2.186 1.00 0.00 H new ATOM 162 N GLY A 10 6.491 -3.565 4.947 1.00 0.00 N ATOM 163 CA GLY A 10 7.607 -4.260 5.562 1.00 0.00 C ATOM 164 C GLY A 10 8.836 -3.382 5.691 1.00 0.00 C ATOM 165 O GLY A 10 9.036 -2.728 6.714 1.00 0.00 O ATOM 0 H GLY A 10 6.580 -3.417 3.942 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.311 -4.613 6.550 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.854 -5.141 4.969 1.00 0.00 H new ATOM 169 N ALA A 11 9.663 -3.369 4.650 1.00 0.00 N ATOM 170 CA ALA A 11 10.879 -2.566 4.651 1.00 0.00 C ATOM 171 C ALA A 11 10.816 -1.473 3.590 1.00 0.00 C ATOM 172 O ALA A 11 10.185 -1.626 2.543 1.00 0.00 O ATOM 173 CB ALA A 11 12.097 -3.451 4.428 1.00 0.00 C ATOM 0 H ALA A 11 9.512 -3.906 3.796 1.00 0.00 H new ATOM 0 HA ALA A 11 10.966 -2.086 5.626 1.00 0.00 H new ATOM 0 HB1 ALA A 11 12.998 -2.838 4.431 1.00 0.00 H new ATOM 0 HB2 ALA A 11 12.159 -4.192 5.225 1.00 0.00 H new ATOM 0 HB3 ALA A 11 12.007 -3.959 3.468 1.00 0.00 H new ATOM 179 N PRO A 12 11.483 -0.342 3.863 1.00 0.00 N ATOM 180 CA PRO A 12 11.517 0.799 2.944 1.00 0.00 C ATOM 181 C PRO A 12 12.331 0.507 1.688 1.00 0.00 C ATOM 182 O PRO A 12 13.554 0.378 1.745 1.00 0.00 O ATOM 183 CB PRO A 12 12.186 1.901 3.770 1.00 0.00 C ATOM 184 CG PRO A 12 13.008 1.173 4.776 1.00 0.00 C ATOM 185 CD PRO A 12 12.256 -0.090 5.091 1.00 0.00 C ATOM 0 HA PRO A 12 10.522 1.062 2.584 1.00 0.00 H new ATOM 0 HB2 PRO A 12 12.804 2.545 3.144 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.446 2.540 4.251 1.00 0.00 H new ATOM 0 HG2 PRO A 12 13.999 0.949 4.381 1.00 0.00 H new ATOM 0 HG3 PRO A 12 13.151 1.776 5.673 1.00 0.00 H new ATOM 0 HD2 PRO A 12 12.932 -0.915 5.317 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.606 0.035 5.957 1.00 0.00 H new ATOM 193 N TYR A 13 11.645 0.405 0.555 1.00 0.00 N ATOM 194 CA TYR A 13 12.304 0.126 -0.716 1.00 0.00 C ATOM 195 C TYR A 13 13.491 1.061 -0.930 1.00 0.00 C ATOM 196 O TYR A 13 13.771 1.927 -0.102 1.00 0.00 O ATOM 197 CB TYR A 13 11.312 0.270 -1.871 1.00 0.00 C ATOM 198 CG TYR A 13 11.746 -0.442 -3.133 1.00 0.00 C ATOM 199 CD1 TYR A 13 11.754 -1.829 -3.203 1.00 0.00 C ATOM 200 CD2 TYR A 13 12.148 0.273 -4.255 1.00 0.00 C ATOM 201 CE1 TYR A 13 12.149 -2.484 -4.353 1.00 0.00 C ATOM 202 CE2 TYR A 13 12.543 -0.373 -5.409 1.00 0.00 C ATOM 203 CZ TYR A 13 12.543 -1.752 -5.454 1.00 0.00 C ATOM 204 OH TYR A 13 12.938 -2.400 -6.602 1.00 0.00 O ATOM 0 H TYR A 13 10.633 0.511 0.491 1.00 0.00 H new ATOM 0 HA TYR A 13 12.672 -0.899 -0.688 1.00 0.00 H new ATOM 0 HB2 TYR A 13 10.344 -0.120 -1.558 1.00 0.00 H new ATOM 0 HB3 TYR A 13 11.173 1.329 -2.090 1.00 0.00 H new ATOM 0 HD1 TYR A 13 11.446 -2.405 -2.343 1.00 0.00 H new ATOM 0 HD2 TYR A 13 12.151 1.353 -4.223 1.00 0.00 H new ATOM 0 HE1 TYR A 13 12.149 -3.563 -4.390 1.00 0.00 H new ATOM 0 HE2 TYR A 13 12.851 0.198 -6.272 1.00 0.00 H new ATOM 0 HH TYR A 13 13.183 -1.739 -7.283 1.00 0.00 H new ATOM 214 N ALA A 14 14.185 0.878 -2.048 1.00 0.00 N ATOM 215 CA ALA A 14 15.340 1.705 -2.374 1.00 0.00 C ATOM 216 C ALA A 14 15.070 3.173 -2.063 1.00 0.00 C ATOM 217 O ALA A 14 13.925 3.571 -1.843 1.00 0.00 O ATOM 218 CB ALA A 14 15.715 1.534 -3.839 1.00 0.00 C ATOM 0 H ALA A 14 13.967 0.164 -2.743 1.00 0.00 H new ATOM 0 HA ALA A 14 16.176 1.378 -1.756 1.00 0.00 H new ATOM 0 HB1 ALA A 14 16.579 2.157 -4.069 1.00 0.00 H new ATOM 0 HB2 ALA A 14 15.959 0.490 -4.032 1.00 0.00 H new ATOM 0 HB3 ALA A 14 14.875 1.832 -4.467 1.00 0.00 H new ATOM 224 N LEU A 15 16.130 3.974 -2.044 1.00 0.00 N ATOM 225 CA LEU A 15 16.006 5.399 -1.759 1.00 0.00 C ATOM 226 C LEU A 15 14.958 6.046 -2.658 1.00 0.00 C ATOM 227 O LEU A 15 14.462 7.135 -2.368 1.00 0.00 O ATOM 228 CB LEU A 15 17.356 6.095 -1.946 1.00 0.00 C ATOM 229 CG LEU A 15 18.563 5.401 -1.315 1.00 0.00 C ATOM 230 CD1 LEU A 15 19.839 6.171 -1.616 1.00 0.00 C ATOM 231 CD2 LEU A 15 18.368 5.254 0.187 1.00 0.00 C ATOM 0 H LEU A 15 17.084 3.661 -2.222 1.00 0.00 H new ATOM 0 HA LEU A 15 15.686 5.511 -0.723 1.00 0.00 H new ATOM 0 HB2 LEU A 15 17.542 6.202 -3.015 1.00 0.00 H new ATOM 0 HB3 LEU A 15 17.284 7.101 -1.533 1.00 0.00 H new ATOM 0 HG LEU A 15 18.654 4.405 -1.749 1.00 0.00 H new ATOM 0 HD11 LEU A 15 20.688 5.662 -1.159 1.00 0.00 H new ATOM 0 HD12 LEU A 15 19.986 6.224 -2.695 1.00 0.00 H new ATOM 0 HD13 LEU A 15 19.760 7.180 -1.211 1.00 0.00 H new ATOM 0 HD21 LEU A 15 19.237 4.758 0.620 1.00 0.00 H new ATOM 0 HD22 LEU A 15 18.251 6.240 0.637 1.00 0.00 H new ATOM 0 HD23 LEU A 15 17.476 4.659 0.382 1.00 0.00 H new ATOM 243 N LYS A 16 14.624 5.368 -3.751 1.00 0.00 N ATOM 244 CA LYS A 16 13.631 5.873 -4.692 1.00 0.00 C ATOM 245 C LYS A 16 12.405 6.405 -3.957 1.00 0.00 C ATOM 246 O LYS A 16 11.763 7.353 -4.406 1.00 0.00 O ATOM 247 CB LYS A 16 13.216 4.770 -5.668 1.00 0.00 C ATOM 248 CG LYS A 16 14.382 4.148 -6.416 1.00 0.00 C ATOM 249 CD LYS A 16 14.679 4.894 -7.706 1.00 0.00 C ATOM 250 CE LYS A 16 15.709 5.992 -7.490 1.00 0.00 C ATOM 251 NZ LYS A 16 17.098 5.500 -7.703 1.00 0.00 N ATOM 0 H LYS A 16 15.027 4.467 -4.007 1.00 0.00 H new ATOM 0 HA LYS A 16 14.081 6.693 -5.251 1.00 0.00 H new ATOM 0 HB2 LYS A 16 12.690 3.989 -5.118 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.511 5.182 -6.390 1.00 0.00 H new ATOM 0 HG2 LYS A 16 15.267 4.152 -5.780 1.00 0.00 H new ATOM 0 HG3 LYS A 16 14.156 3.106 -6.641 1.00 0.00 H new ATOM 0 HD2 LYS A 16 15.044 4.193 -8.457 1.00 0.00 H new ATOM 0 HD3 LYS A 16 13.759 5.329 -8.096 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.508 6.818 -8.172 1.00 0.00 H new ATOM 0 HE3 LYS A 16 15.614 6.385 -6.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 17.770 6.278 -7.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 17.299 4.729 -7.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 17.196 5.149 -8.677 1.00 0.00 H new ATOM 265 N GLY A 17 12.087 5.788 -2.823 1.00 0.00 N ATOM 266 CA GLY A 17 10.940 6.215 -2.043 1.00 0.00 C ATOM 267 C GLY A 17 9.837 5.175 -2.018 1.00 0.00 C ATOM 268 O GLY A 17 8.728 5.447 -1.560 1.00 0.00 O ATOM 0 H GLY A 17 12.603 5.000 -2.431 1.00 0.00 H new ATOM 0 HA2 GLY A 17 11.257 6.428 -1.022 1.00 0.00 H new ATOM 0 HA3 GLY A 17 10.549 7.145 -2.456 1.00 0.00 H new ATOM 272 N GLY A 18 10.141 3.979 -2.514 1.00 0.00 N ATOM 273 CA GLY A 18 9.156 2.914 -2.539 1.00 0.00 C ATOM 274 C GLY A 18 9.026 2.213 -1.202 1.00 0.00 C ATOM 275 O GLY A 18 9.962 2.208 -0.401 1.00 0.00 O ATOM 0 H GLY A 18 11.052 3.729 -2.899 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.188 3.325 -2.826 1.00 0.00 H new ATOM 0 HA3 GLY A 18 9.432 2.186 -3.302 1.00 0.00 H new ATOM 279 N LEU A 19 7.862 1.621 -0.957 1.00 0.00 N ATOM 280 CA LEU A 19 7.612 0.915 0.295 1.00 0.00 C ATOM 281 C LEU A 19 7.132 -0.509 0.030 1.00 0.00 C ATOM 282 O LEU A 19 6.153 -0.721 -0.686 1.00 0.00 O ATOM 283 CB LEU A 19 6.574 1.668 1.130 1.00 0.00 C ATOM 284 CG LEU A 19 7.078 2.912 1.863 1.00 0.00 C ATOM 285 CD1 LEU A 19 5.911 3.794 2.281 1.00 0.00 C ATOM 286 CD2 LEU A 19 7.910 2.516 3.074 1.00 0.00 C ATOM 0 H LEU A 19 7.077 1.616 -1.608 1.00 0.00 H new ATOM 0 HA LEU A 19 8.549 0.866 0.850 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.755 1.964 0.475 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.160 0.979 1.867 1.00 0.00 H new ATOM 0 HG LEU A 19 7.711 3.481 1.182 1.00 0.00 H new ATOM 0 HD11 LEU A 19 6.288 4.674 2.801 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.355 4.105 1.397 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.252 3.235 2.945 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.261 3.413 3.584 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.300 1.925 3.757 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.767 1.925 2.750 1.00 0.00 H new ATOM 298 N ARG A 20 7.826 -1.480 0.615 1.00 0.00 N ATOM 299 CA ARG A 20 7.470 -2.883 0.443 1.00 0.00 C ATOM 300 C ARG A 20 6.094 -3.172 1.035 1.00 0.00 C ATOM 301 O ARG A 20 5.926 -3.204 2.255 1.00 0.00 O ATOM 302 CB ARG A 20 8.519 -3.781 1.101 1.00 0.00 C ATOM 303 CG ARG A 20 9.865 -3.766 0.394 1.00 0.00 C ATOM 304 CD ARG A 20 10.757 -4.901 0.869 1.00 0.00 C ATOM 305 NE ARG A 20 12.130 -4.753 0.395 1.00 0.00 N ATOM 306 CZ ARG A 20 13.040 -5.718 0.466 1.00 0.00 C ATOM 307 NH1 ARG A 20 12.724 -6.895 0.989 1.00 0.00 N ATOM 308 NH2 ARG A 20 14.270 -5.507 0.013 1.00 0.00 N ATOM 0 H ARG A 20 8.638 -1.321 1.212 1.00 0.00 H new ATOM 0 HA ARG A 20 7.438 -3.095 -0.626 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.658 -3.465 2.135 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.144 -4.804 1.128 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.713 -3.848 -0.682 1.00 0.00 H new ATOM 0 HG3 ARG A 20 10.361 -2.812 0.574 1.00 0.00 H new ATOM 0 HD2 ARG A 20 10.751 -4.935 1.958 1.00 0.00 H new ATOM 0 HD3 ARG A 20 10.353 -5.851 0.518 1.00 0.00 H new ATOM 0 HE ARG A 20 12.405 -3.860 -0.013 1.00 0.00 H new ATOM 0 HH11 ARG A 20 11.780 -7.061 1.338 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.425 -7.634 1.042 1.00 0.00 H new ATOM 0 HH21 ARG A 20 14.517 -4.603 -0.390 1.00 0.00 H new ATOM 0 HH22 ARG A 20 14.968 -6.249 0.068 1.00 0.00 H new ATOM 322 N PHE A 21 5.112 -3.380 0.164 1.00 0.00 N ATOM 323 CA PHE A 21 3.750 -3.664 0.601 1.00 0.00 C ATOM 324 C PHE A 21 3.374 -5.112 0.301 1.00 0.00 C ATOM 325 O PHE A 21 3.428 -5.553 -0.847 1.00 0.00 O ATOM 326 CB PHE A 21 2.764 -2.716 -0.084 1.00 0.00 C ATOM 327 CG PHE A 21 1.333 -3.161 0.021 1.00 0.00 C ATOM 328 CD1 PHE A 21 0.631 -3.006 1.205 1.00 0.00 C ATOM 329 CD2 PHE A 21 0.691 -3.735 -1.064 1.00 0.00 C ATOM 330 CE1 PHE A 21 -0.686 -3.413 1.305 1.00 0.00 C ATOM 331 CE2 PHE A 21 -0.626 -4.145 -0.970 1.00 0.00 C ATOM 332 CZ PHE A 21 -1.315 -3.985 0.217 1.00 0.00 C ATOM 0 H PHE A 21 5.234 -3.357 -0.848 1.00 0.00 H new ATOM 0 HA PHE A 21 3.701 -3.510 1.679 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.861 -1.724 0.356 1.00 0.00 H new ATOM 0 HB3 PHE A 21 3.032 -2.625 -1.137 1.00 0.00 H new ATOM 0 HD1 PHE A 21 1.119 -2.562 2.060 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.225 -3.864 -1.994 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.223 -3.284 2.233 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.116 -4.590 -1.824 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.343 -4.307 0.294 1.00 0.00 H new ATOM 342 N ARG A 22 2.993 -5.846 1.341 1.00 0.00 N ATOM 343 CA ARG A 22 2.610 -7.245 1.190 1.00 0.00 C ATOM 344 C ARG A 22 1.113 -7.426 1.426 1.00 0.00 C ATOM 345 O ARG A 22 0.662 -7.537 2.565 1.00 0.00 O ATOM 346 CB ARG A 22 3.400 -8.121 2.164 1.00 0.00 C ATOM 347 CG ARG A 22 3.559 -9.559 1.699 1.00 0.00 C ATOM 348 CD ARG A 22 2.358 -10.406 2.087 1.00 0.00 C ATOM 349 NE ARG A 22 2.131 -11.499 1.145 1.00 0.00 N ATOM 350 CZ ARG A 22 1.274 -12.490 1.362 1.00 0.00 C ATOM 351 NH1 ARG A 22 0.567 -12.527 2.483 1.00 0.00 N ATOM 352 NH2 ARG A 22 1.123 -13.448 0.456 1.00 0.00 N ATOM 0 H ARG A 22 2.941 -5.495 2.297 1.00 0.00 H new ATOM 0 HA ARG A 22 2.840 -7.551 0.169 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.388 -7.685 2.312 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.900 -8.115 3.133 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.686 -9.581 0.617 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.462 -9.986 2.135 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.510 -10.814 3.086 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.470 -9.776 2.132 1.00 0.00 H new ATOM 0 HE ARG A 22 2.660 -11.501 0.273 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.680 -11.793 3.182 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.090 -13.290 2.646 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.665 -13.423 -0.408 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.465 -14.209 0.623 1.00 0.00 H new ATOM 366 N GLY A 23 0.347 -7.455 0.339 1.00 0.00 N ATOM 367 CA GLY A 23 -1.090 -7.622 0.449 1.00 0.00 C ATOM 368 C GLY A 23 -1.658 -8.494 -0.654 1.00 0.00 C ATOM 369 O GLY A 23 -0.942 -8.884 -1.575 1.00 0.00 O ATOM 0 H GLY A 23 0.696 -7.366 -0.615 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.328 -8.064 1.417 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.570 -6.644 0.418 1.00 0.00 H new ATOM 373 N GLU A 24 -2.948 -8.800 -0.559 1.00 0.00 N ATOM 374 CA GLU A 24 -3.610 -9.633 -1.556 1.00 0.00 C ATOM 375 C GLU A 24 -3.327 -9.123 -2.966 1.00 0.00 C ATOM 376 O GLU A 24 -2.951 -7.969 -3.172 1.00 0.00 O ATOM 377 CB GLU A 24 -5.120 -9.664 -1.306 1.00 0.00 C ATOM 378 CG GLU A 24 -5.551 -10.731 -0.314 1.00 0.00 C ATOM 379 CD GLU A 24 -5.373 -12.136 -0.855 1.00 0.00 C ATOM 380 OE1 GLU A 24 -6.140 -12.523 -1.762 1.00 0.00 O ATOM 381 OE2 GLU A 24 -4.469 -12.849 -0.372 1.00 0.00 O ATOM 0 H GLU A 24 -3.555 -8.484 0.197 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.214 -10.645 -1.468 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.439 -8.689 -0.939 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.633 -9.832 -2.253 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.973 -10.623 0.604 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.598 -10.577 -0.052 1.00 0.00 H new ATOM 388 N PRO A 25 -3.512 -10.003 -3.961 1.00 0.00 N ATOM 389 CA PRO A 25 -3.282 -9.666 -5.369 1.00 0.00 C ATOM 390 C PRO A 25 -4.322 -8.690 -5.908 1.00 0.00 C ATOM 391 O PRO A 25 -4.131 -8.082 -6.962 1.00 0.00 O ATOM 392 CB PRO A 25 -3.397 -11.016 -6.081 1.00 0.00 C ATOM 393 CG PRO A 25 -4.263 -11.840 -5.192 1.00 0.00 C ATOM 394 CD PRO A 25 -3.959 -11.396 -3.789 1.00 0.00 C ATOM 0 HA PRO A 25 -2.322 -9.171 -5.518 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -3.838 -10.905 -7.071 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.418 -11.476 -6.218 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -5.317 -11.692 -5.428 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.054 -12.902 -5.319 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.838 -11.460 -3.148 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.186 -12.013 -3.331 1.00 0.00 H new ATOM 402 N VAL A 26 -5.424 -8.543 -5.179 1.00 0.00 N ATOM 403 CA VAL A 26 -6.494 -7.639 -5.583 1.00 0.00 C ATOM 404 C VAL A 26 -6.034 -6.186 -5.535 1.00 0.00 C ATOM 405 O VAL A 26 -6.681 -5.300 -6.093 1.00 0.00 O ATOM 406 CB VAL A 26 -7.736 -7.803 -4.687 1.00 0.00 C ATOM 407 CG1 VAL A 26 -7.390 -7.509 -3.235 1.00 0.00 C ATOM 408 CG2 VAL A 26 -8.862 -6.901 -5.168 1.00 0.00 C ATOM 0 H VAL A 26 -5.599 -9.039 -4.305 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.758 -7.900 -6.608 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.076 -8.837 -4.752 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.280 -7.630 -2.617 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.617 -8.200 -2.898 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.024 -6.486 -3.148 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.732 -7.030 -4.524 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.535 -5.862 -5.134 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.127 -7.164 -6.192 1.00 0.00 H new ATOM 418 N VAL A 27 -4.911 -5.949 -4.864 1.00 0.00 N ATOM 419 CA VAL A 27 -4.363 -4.603 -4.743 1.00 0.00 C ATOM 420 C VAL A 27 -3.929 -4.063 -6.101 1.00 0.00 C ATOM 421 O VAL A 27 -3.654 -2.871 -6.248 1.00 0.00 O ATOM 422 CB VAL A 27 -3.159 -4.572 -3.783 1.00 0.00 C ATOM 423 CG1 VAL A 27 -1.961 -5.273 -4.404 1.00 0.00 C ATOM 424 CG2 VAL A 27 -2.813 -3.139 -3.409 1.00 0.00 C ATOM 0 H VAL A 27 -4.363 -6.671 -4.396 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.156 -3.973 -4.341 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.430 -5.106 -2.872 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.121 -5.240 -3.711 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.217 -6.311 -4.616 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.686 -4.771 -5.331 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.960 -3.136 -2.730 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.562 -2.578 -4.309 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.668 -2.674 -2.919 1.00 0.00 H new ATOM 434 N LEU A 28 -3.871 -4.946 -7.092 1.00 0.00 N ATOM 435 CA LEU A 28 -3.471 -4.558 -8.440 1.00 0.00 C ATOM 436 C LEU A 28 -4.618 -3.866 -9.170 1.00 0.00 C ATOM 437 O LEU A 28 -4.458 -3.397 -10.297 1.00 0.00 O ATOM 438 CB LEU A 28 -3.015 -5.785 -9.231 1.00 0.00 C ATOM 439 CG LEU A 28 -1.918 -6.631 -8.584 1.00 0.00 C ATOM 440 CD1 LEU A 28 -1.483 -7.748 -9.519 1.00 0.00 C ATOM 441 CD2 LEU A 28 -0.729 -5.761 -8.201 1.00 0.00 C ATOM 0 H LEU A 28 -4.096 -5.935 -6.987 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.641 -3.857 -8.358 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.882 -6.422 -9.406 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.662 -5.452 -10.207 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.321 -7.081 -7.677 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.702 -8.339 -9.041 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.336 -8.388 -9.743 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.098 -7.319 -10.444 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.042 -6.380 -7.742 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.326 -5.282 -9.093 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.050 -4.997 -7.493 1.00 0.00 H new ATOM 453 N HIS A 29 -5.775 -3.804 -8.519 1.00 0.00 N ATOM 454 CA HIS A 29 -6.949 -3.166 -9.105 1.00 0.00 C ATOM 455 C HIS A 29 -7.326 -1.907 -8.331 1.00 0.00 C ATOM 456 O HIS A 29 -8.274 -1.206 -8.688 1.00 0.00 O ATOM 457 CB HIS A 29 -8.128 -4.139 -9.124 1.00 0.00 C ATOM 458 CG HIS A 29 -7.956 -5.269 -10.092 1.00 0.00 C ATOM 459 ND1 HIS A 29 -8.564 -5.300 -11.329 1.00 0.00 N ATOM 460 CD2 HIS A 29 -7.237 -6.413 -9.999 1.00 0.00 C ATOM 461 CE1 HIS A 29 -8.228 -6.414 -11.955 1.00 0.00 C ATOM 462 NE2 HIS A 29 -7.423 -7.107 -11.169 1.00 0.00 N ATOM 0 H HIS A 29 -5.925 -4.188 -7.586 1.00 0.00 H new ATOM 0 HA HIS A 29 -6.705 -2.883 -10.129 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.268 -4.547 -8.123 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -9.036 -3.591 -9.375 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -6.630 -6.722 -9.161 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -8.556 -6.708 -12.941 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -7.007 -8.011 -11.395 1.00 0.00 H new ATOM 470 N LEU A 30 -6.580 -1.625 -7.268 1.00 0.00 N ATOM 471 CA LEU A 30 -6.837 -0.450 -6.443 1.00 0.00 C ATOM 472 C LEU A 30 -6.101 0.770 -6.987 1.00 0.00 C ATOM 473 O LEU A 30 -5.290 0.657 -7.907 1.00 0.00 O ATOM 474 CB LEU A 30 -6.409 -0.715 -4.998 1.00 0.00 C ATOM 475 CG LEU A 30 -7.248 -1.733 -4.225 1.00 0.00 C ATOM 476 CD1 LEU A 30 -6.855 -1.745 -2.756 1.00 0.00 C ATOM 477 CD2 LEU A 30 -8.731 -1.430 -4.380 1.00 0.00 C ATOM 0 H LEU A 30 -5.793 -2.194 -6.958 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.907 -0.246 -6.468 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.374 -1.057 -5.004 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.430 0.230 -4.455 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.055 -2.723 -4.639 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.463 -2.476 -2.223 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.802 -2.012 -2.663 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.018 -0.756 -2.328 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.313 -2.165 -3.823 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.941 -0.433 -3.994 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.003 -1.475 -5.434 1.00 0.00 H new ATOM 489 N GLU A 31 -6.387 1.933 -6.412 1.00 0.00 N ATOM 490 CA GLU A 31 -5.751 3.173 -6.840 1.00 0.00 C ATOM 491 C GLU A 31 -5.224 3.957 -5.641 1.00 0.00 C ATOM 492 O GLU A 31 -4.196 4.628 -5.728 1.00 0.00 O ATOM 493 CB GLU A 31 -6.739 4.034 -7.631 1.00 0.00 C ATOM 494 CG GLU A 31 -7.201 3.393 -8.929 1.00 0.00 C ATOM 495 CD GLU A 31 -6.162 3.490 -10.029 1.00 0.00 C ATOM 496 OE1 GLU A 31 -5.329 4.420 -9.977 1.00 0.00 O ATOM 497 OE2 GLU A 31 -6.181 2.638 -10.941 1.00 0.00 O ATOM 0 H GLU A 31 -7.055 2.043 -5.649 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.909 2.915 -7.483 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.609 4.240 -7.007 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.273 4.994 -7.855 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.437 2.344 -8.748 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.121 3.874 -9.260 1.00 0.00 H new ATOM 504 N ARG A 32 -5.936 3.865 -4.523 1.00 0.00 N ATOM 505 CA ARG A 32 -5.542 4.566 -3.306 1.00 0.00 C ATOM 506 C ARG A 32 -5.434 3.597 -2.132 1.00 0.00 C ATOM 507 O ARG A 32 -5.954 2.483 -2.183 1.00 0.00 O ATOM 508 CB ARG A 32 -6.550 5.670 -2.979 1.00 0.00 C ATOM 509 CG ARG A 32 -7.816 5.160 -2.312 1.00 0.00 C ATOM 510 CD ARG A 32 -8.680 6.306 -1.808 1.00 0.00 C ATOM 511 NE ARG A 32 -9.263 7.074 -2.905 1.00 0.00 N ATOM 512 CZ ARG A 32 -9.853 8.254 -2.743 1.00 0.00 C ATOM 513 NH1 ARG A 32 -9.937 8.797 -1.536 1.00 0.00 N ATOM 514 NH2 ARG A 32 -10.360 8.892 -3.790 1.00 0.00 N ATOM 0 H ARG A 32 -6.789 3.312 -4.434 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.564 5.015 -3.476 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.075 6.402 -2.326 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.818 6.190 -3.899 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.385 4.558 -3.021 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.553 4.508 -1.479 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.477 5.910 -1.179 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.079 6.966 -1.183 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.215 6.684 -3.846 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.548 8.309 -0.729 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.390 9.703 -1.415 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.297 8.477 -4.720 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -10.813 9.797 -3.665 1.00 0.00 H new ATOM 528 N VAL A 33 -4.753 4.031 -1.076 1.00 0.00 N ATOM 529 CA VAL A 33 -4.576 3.203 0.112 1.00 0.00 C ATOM 530 C VAL A 33 -4.799 4.013 1.384 1.00 0.00 C ATOM 531 O VAL A 33 -4.987 5.228 1.334 1.00 0.00 O ATOM 532 CB VAL A 33 -3.170 2.577 0.155 1.00 0.00 C ATOM 533 CG1 VAL A 33 -3.086 1.387 -0.790 1.00 0.00 C ATOM 534 CG2 VAL A 33 -2.113 3.616 -0.188 1.00 0.00 C ATOM 0 H VAL A 33 -4.315 4.950 -1.019 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.318 2.407 0.057 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.981 2.221 1.168 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.085 0.958 -0.746 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.817 0.635 -0.494 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.296 1.715 -1.808 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.126 3.156 -0.153 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.297 4.005 -1.190 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.159 4.433 0.532 1.00 0.00 H new ATOM 544 N TYR A 34 -4.777 3.331 2.524 1.00 0.00 N ATOM 545 CA TYR A 34 -4.979 3.986 3.811 1.00 0.00 C ATOM 546 C TYR A 34 -3.886 3.592 4.800 1.00 0.00 C ATOM 547 O TYR A 34 -3.750 2.423 5.160 1.00 0.00 O ATOM 548 CB TYR A 34 -6.352 3.626 4.380 1.00 0.00 C ATOM 549 CG TYR A 34 -6.602 4.190 5.761 1.00 0.00 C ATOM 550 CD1 TYR A 34 -5.907 5.305 6.213 1.00 0.00 C ATOM 551 CD2 TYR A 34 -7.534 3.609 6.612 1.00 0.00 C ATOM 552 CE1 TYR A 34 -6.131 5.823 7.474 1.00 0.00 C ATOM 553 CE2 TYR A 34 -7.766 4.122 7.873 1.00 0.00 C ATOM 554 CZ TYR A 34 -7.062 5.228 8.300 1.00 0.00 C ATOM 555 OH TYR A 34 -7.290 5.743 9.556 1.00 0.00 O ATOM 0 H TYR A 34 -4.621 2.325 2.583 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.930 5.063 3.654 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.124 3.991 3.702 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.448 2.541 4.417 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.179 5.775 5.568 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -8.086 2.742 6.282 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.580 6.689 7.811 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.495 3.659 8.521 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.976 5.209 10.009 1.00 0.00 H new ATOM 565 N VAL A 35 -3.108 4.578 5.235 1.00 0.00 N ATOM 566 CA VAL A 35 -2.028 4.337 6.184 1.00 0.00 C ATOM 567 C VAL A 35 -2.544 4.348 7.619 1.00 0.00 C ATOM 568 O VAL A 35 -2.674 5.405 8.234 1.00 0.00 O ATOM 569 CB VAL A 35 -0.912 5.390 6.044 1.00 0.00 C ATOM 570 CG1 VAL A 35 0.279 5.026 6.918 1.00 0.00 C ATOM 571 CG2 VAL A 35 -0.493 5.531 4.589 1.00 0.00 C ATOM 0 H VAL A 35 -3.206 5.551 4.945 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.620 3.353 5.955 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.299 6.351 6.382 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.057 5.781 6.806 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.035 4.981 7.961 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.670 4.055 6.614 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.296 6.279 4.508 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.124 4.573 4.222 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.350 5.842 3.992 1.00 0.00 H new ATOM 581 N GLU A 36 -2.836 3.162 8.145 1.00 0.00 N ATOM 582 CA GLU A 36 -3.338 3.036 9.508 1.00 0.00 C ATOM 583 C GLU A 36 -2.325 3.575 10.514 1.00 0.00 C ATOM 584 O GLU A 36 -1.363 2.895 10.868 1.00 0.00 O ATOM 585 CB GLU A 36 -3.657 1.573 9.824 1.00 0.00 C ATOM 586 CG GLU A 36 -4.012 1.328 11.281 1.00 0.00 C ATOM 587 CD GLU A 36 -5.497 1.466 11.551 1.00 0.00 C ATOM 588 OE1 GLU A 36 -6.168 2.218 10.814 1.00 0.00 O ATOM 589 OE2 GLU A 36 -5.989 0.820 12.501 1.00 0.00 O ATOM 0 H GLU A 36 -2.734 2.277 7.649 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.251 3.626 9.587 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.487 1.247 9.197 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.797 0.957 9.560 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.686 0.328 11.567 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.466 2.033 11.908 1.00 0.00 H new ATOM 596 N GLY A 37 -2.549 4.803 10.971 1.00 0.00 N ATOM 597 CA GLY A 37 -1.648 5.414 11.930 1.00 0.00 C ATOM 598 C GLY A 37 -1.475 6.902 11.698 1.00 0.00 C ATOM 599 O GLY A 37 -1.386 7.680 12.649 1.00 0.00 O ATOM 0 H GLY A 37 -3.339 5.386 10.694 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.029 5.249 12.938 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.675 4.925 11.872 1.00 0.00 H new ATOM 603 N HIS A 38 -1.427 7.300 10.431 1.00 0.00 N ATOM 604 CA HIS A 38 -1.263 8.706 10.077 1.00 0.00 C ATOM 605 C HIS A 38 -2.472 9.214 9.298 1.00 0.00 C ATOM 606 O HIS A 38 -3.333 9.900 9.846 1.00 0.00 O ATOM 607 CB HIS A 38 0.010 8.901 9.252 1.00 0.00 C ATOM 608 CG HIS A 38 1.269 8.740 10.047 1.00 0.00 C ATOM 609 ND1 HIS A 38 2.479 9.272 9.654 1.00 0.00 N ATOM 610 CD2 HIS A 38 1.502 8.104 11.219 1.00 0.00 C ATOM 611 CE1 HIS A 38 3.402 8.969 10.550 1.00 0.00 C ATOM 612 NE2 HIS A 38 2.835 8.261 11.509 1.00 0.00 N ATOM 0 H HIS A 38 -1.499 6.670 9.632 1.00 0.00 H new ATOM 0 HA HIS A 38 -1.180 9.281 10.999 1.00 0.00 H new ATOM 0 HB2 HIS A 38 0.014 8.184 8.431 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -0.004 9.896 8.807 1.00 0.00 H new ATOM 0 HD2 HIS A 38 0.775 7.572 11.815 1.00 0.00 H new ATOM 0 HE1 HIS A 38 4.443 9.252 10.505 1.00 0.00 H new ATOM 0 HE2 HIS A 38 3.310 7.891 12.332 1.00 0.00 H new ATOM 620 N GLY A 39 -2.528 8.873 8.014 1.00 0.00 N ATOM 621 CA GLY A 39 -3.635 9.304 7.180 1.00 0.00 C ATOM 622 C GLY A 39 -3.770 8.472 5.920 1.00 0.00 C ATOM 623 O GLY A 39 -2.996 7.541 5.697 1.00 0.00 O ATOM 0 H GLY A 39 -1.827 8.306 7.537 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.561 9.245 7.752 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.495 10.350 6.908 1.00 0.00 H new ATOM 627 N TRP A 40 -4.755 8.807 5.095 1.00 0.00 N ATOM 628 CA TRP A 40 -4.990 8.083 3.851 1.00 0.00 C ATOM 629 C TRP A 40 -4.005 8.520 2.772 1.00 0.00 C ATOM 630 O TRP A 40 -3.871 9.710 2.487 1.00 0.00 O ATOM 631 CB TRP A 40 -6.425 8.305 3.370 1.00 0.00 C ATOM 632 CG TRP A 40 -7.406 7.340 3.963 1.00 0.00 C ATOM 633 CD1 TRP A 40 -7.924 7.371 5.226 1.00 0.00 C ATOM 634 CD2 TRP A 40 -7.986 6.202 3.317 1.00 0.00 C ATOM 635 NE1 TRP A 40 -8.791 6.320 5.404 1.00 0.00 N ATOM 636 CE2 TRP A 40 -8.847 5.588 4.247 1.00 0.00 C ATOM 637 CE3 TRP A 40 -7.863 5.642 2.042 1.00 0.00 C ATOM 638 CZ2 TRP A 40 -9.578 4.443 3.942 1.00 0.00 C ATOM 639 CZ3 TRP A 40 -8.589 4.505 1.741 1.00 0.00 C ATOM 640 CH2 TRP A 40 -9.438 3.916 2.687 1.00 0.00 C ATOM 0 H TRP A 40 -5.404 9.575 5.265 1.00 0.00 H new ATOM 0 HA TRP A 40 -4.840 7.021 4.044 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -6.731 9.321 3.618 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -6.454 8.220 2.284 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -7.687 8.112 5.975 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -9.309 6.117 6.259 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -7.212 6.090 1.305 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -10.232 3.987 4.670 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -8.500 4.063 0.760 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -9.993 3.029 2.421 1.00 0.00 H new ATOM 651 N ARG A 41 -3.319 7.550 2.175 1.00 0.00 N ATOM 652 CA ARG A 41 -2.346 7.836 1.128 1.00 0.00 C ATOM 653 C ARG A 41 -2.823 7.301 -0.219 1.00 0.00 C ATOM 654 O ARG A 41 -3.692 6.432 -0.279 1.00 0.00 O ATOM 655 CB ARG A 41 -0.990 7.223 1.481 1.00 0.00 C ATOM 656 CG ARG A 41 -0.187 8.049 2.473 1.00 0.00 C ATOM 657 CD ARG A 41 0.352 9.319 1.833 1.00 0.00 C ATOM 658 NE ARG A 41 1.063 10.157 2.794 1.00 0.00 N ATOM 659 CZ ARG A 41 0.462 11.035 3.590 1.00 0.00 C ATOM 660 NH1 ARG A 41 -0.854 11.189 3.539 1.00 0.00 N ATOM 661 NH2 ARG A 41 1.178 11.762 4.438 1.00 0.00 N ATOM 0 H ARG A 41 -3.419 6.560 2.399 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.239 8.918 1.052 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.148 6.227 1.895 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -0.408 7.100 0.568 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.815 8.308 3.325 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.642 7.454 2.857 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.023 9.056 1.015 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.473 9.885 1.399 1.00 0.00 H new ATOM 0 HE ARG A 41 2.077 10.063 2.858 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.408 10.633 2.888 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.313 11.864 4.151 1.00 0.00 H new ATOM 0 HH21 ARG A 41 2.191 11.647 4.479 1.00 0.00 H new ATOM 0 HH22 ARG A 41 0.716 12.436 5.049 1.00 0.00 H new ATOM 675 N ALA A 42 -2.248 7.826 -1.296 1.00 0.00 N ATOM 676 CA ALA A 42 -2.614 7.400 -2.641 1.00 0.00 C ATOM 677 C ALA A 42 -1.479 6.620 -3.297 1.00 0.00 C ATOM 678 O ALA A 42 -0.318 6.751 -2.909 1.00 0.00 O ATOM 679 CB ALA A 42 -2.991 8.603 -3.492 1.00 0.00 C ATOM 0 H ALA A 42 -1.527 8.547 -1.263 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.477 6.739 -2.564 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.262 8.269 -4.494 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.838 9.118 -3.039 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.143 9.285 -3.554 1.00 0.00 H new ATOM 685 N ILE A 43 -1.823 5.809 -4.292 1.00 0.00 N ATOM 686 CA ILE A 43 -0.832 5.009 -5.001 1.00 0.00 C ATOM 687 C ILE A 43 -0.443 5.662 -6.323 1.00 0.00 C ATOM 688 O ILE A 43 -1.302 6.118 -7.078 1.00 0.00 O ATOM 689 CB ILE A 43 -1.351 3.586 -5.278 1.00 0.00 C ATOM 690 CG1 ILE A 43 -1.739 2.897 -3.968 1.00 0.00 C ATOM 691 CG2 ILE A 43 -0.300 2.773 -6.019 1.00 0.00 C ATOM 692 CD1 ILE A 43 -2.376 1.539 -4.164 1.00 0.00 C ATOM 0 H ILE A 43 -2.780 5.689 -4.625 1.00 0.00 H new ATOM 0 HA ILE A 43 0.045 4.948 -4.356 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.238 3.655 -5.907 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.849 2.786 -3.348 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -2.430 3.538 -3.421 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.682 1.770 -6.207 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.068 3.257 -6.968 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.604 2.709 -5.414 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.625 1.110 -3.193 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.284 1.645 -4.757 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.679 0.882 -4.683 1.00 0.00 H new ATOM 704 N GLU A 44 0.857 5.701 -6.598 1.00 0.00 N ATOM 705 CA GLU A 44 1.360 6.298 -7.830 1.00 0.00 C ATOM 706 C GLU A 44 1.936 5.230 -8.756 1.00 0.00 C ATOM 707 O GLU A 44 1.677 5.232 -9.959 1.00 0.00 O ATOM 708 CB GLU A 44 2.429 7.347 -7.516 1.00 0.00 C ATOM 709 CG GLU A 44 1.860 8.667 -7.025 1.00 0.00 C ATOM 710 CD GLU A 44 1.472 9.594 -8.161 1.00 0.00 C ATOM 711 OE1 GLU A 44 2.380 10.069 -8.875 1.00 0.00 O ATOM 712 OE2 GLU A 44 0.261 9.844 -8.336 1.00 0.00 O ATOM 0 H GLU A 44 1.581 5.326 -5.985 1.00 0.00 H new ATOM 0 HA GLU A 44 0.525 6.782 -8.336 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.106 6.949 -6.760 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.023 7.528 -8.412 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.985 8.473 -6.405 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.596 9.163 -6.392 1.00 0.00 H new ATOM 719 N ASP A 45 2.717 4.320 -8.185 1.00 0.00 N ATOM 720 CA ASP A 45 3.330 3.246 -8.958 1.00 0.00 C ATOM 721 C ASP A 45 3.686 2.065 -8.060 1.00 0.00 C ATOM 722 O ASP A 45 4.212 2.244 -6.960 1.00 0.00 O ATOM 723 CB ASP A 45 4.583 3.754 -9.673 1.00 0.00 C ATOM 724 CG ASP A 45 4.873 2.986 -10.948 1.00 0.00 C ATOM 725 OD1 ASP A 45 4.500 1.797 -11.023 1.00 0.00 O ATOM 726 OD2 ASP A 45 5.472 3.576 -11.872 1.00 0.00 O ATOM 0 H ASP A 45 2.941 4.304 -7.190 1.00 0.00 H new ATOM 0 HA ASP A 45 2.608 2.910 -9.702 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.460 4.811 -9.909 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.438 3.675 -9.002 1.00 0.00 H new ATOM 731 N LEU A 46 3.395 0.859 -8.534 1.00 0.00 N ATOM 732 CA LEU A 46 3.683 -0.352 -7.774 1.00 0.00 C ATOM 733 C LEU A 46 3.905 -1.540 -8.705 1.00 0.00 C ATOM 734 O LEU A 46 3.521 -1.505 -9.874 1.00 0.00 O ATOM 735 CB LEU A 46 2.537 -0.655 -6.806 1.00 0.00 C ATOM 736 CG LEU A 46 1.305 -1.325 -7.415 1.00 0.00 C ATOM 737 CD1 LEU A 46 1.597 -2.780 -7.747 1.00 0.00 C ATOM 738 CD2 LEU A 46 0.119 -1.221 -6.467 1.00 0.00 C ATOM 0 H LEU A 46 2.960 0.694 -9.441 1.00 0.00 H new ATOM 0 HA LEU A 46 4.597 -0.185 -7.204 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.919 -1.296 -6.011 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.225 0.280 -6.340 1.00 0.00 H new ATOM 0 HG LEU A 46 1.053 -0.806 -8.340 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.708 -3.240 -8.179 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.417 -2.832 -8.463 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.875 -3.312 -6.837 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.749 -1.703 -6.916 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.361 -1.714 -5.526 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.106 -0.171 -6.279 1.00 0.00 H new ATOM 750 N TYR A 47 4.526 -2.589 -8.178 1.00 0.00 N ATOM 751 CA TYR A 47 4.799 -3.788 -8.962 1.00 0.00 C ATOM 752 C TYR A 47 5.237 -4.939 -8.062 1.00 0.00 C ATOM 753 O TYR A 47 5.979 -4.742 -7.100 1.00 0.00 O ATOM 754 CB TYR A 47 5.879 -3.504 -10.008 1.00 0.00 C ATOM 755 CG TYR A 47 6.960 -2.564 -9.522 1.00 0.00 C ATOM 756 CD1 TYR A 47 7.899 -2.978 -8.585 1.00 0.00 C ATOM 757 CD2 TYR A 47 7.042 -1.262 -10.001 1.00 0.00 C ATOM 758 CE1 TYR A 47 8.887 -2.123 -8.138 1.00 0.00 C ATOM 759 CE2 TYR A 47 8.028 -0.400 -9.560 1.00 0.00 C ATOM 760 CZ TYR A 47 8.948 -0.835 -8.629 1.00 0.00 C ATOM 761 OH TYR A 47 9.931 0.020 -8.187 1.00 0.00 O ATOM 0 H TYR A 47 4.850 -2.634 -7.212 1.00 0.00 H new ATOM 0 HA TYR A 47 3.879 -4.077 -9.469 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.337 -4.446 -10.310 1.00 0.00 H new ATOM 0 HB3 TYR A 47 5.411 -3.078 -10.895 1.00 0.00 H new ATOM 0 HD1 TYR A 47 7.855 -3.986 -8.200 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.323 -0.918 -10.730 1.00 0.00 H new ATOM 0 HE1 TYR A 47 9.608 -2.461 -7.408 1.00 0.00 H new ATOM 0 HE2 TYR A 47 8.078 0.609 -9.942 1.00 0.00 H new ATOM 0 HH TYR A 47 9.565 0.609 -7.494 1.00 0.00 H new ATOM 771 N ARG A 48 4.773 -6.142 -8.384 1.00 0.00 N ATOM 772 CA ARG A 48 5.116 -7.326 -7.605 1.00 0.00 C ATOM 773 C ARG A 48 6.531 -7.798 -7.926 1.00 0.00 C ATOM 774 O ARG A 48 6.762 -8.461 -8.937 1.00 0.00 O ATOM 775 CB ARG A 48 4.117 -8.452 -7.882 1.00 0.00 C ATOM 776 CG ARG A 48 4.234 -9.040 -9.279 1.00 0.00 C ATOM 777 CD ARG A 48 2.914 -9.632 -9.747 1.00 0.00 C ATOM 778 NE ARG A 48 3.100 -10.598 -10.827 1.00 0.00 N ATOM 779 CZ ARG A 48 2.134 -10.958 -11.664 1.00 0.00 C ATOM 780 NH1 ARG A 48 0.921 -10.434 -11.548 1.00 0.00 N ATOM 781 NH2 ARG A 48 2.380 -11.842 -12.622 1.00 0.00 N ATOM 0 H ARG A 48 4.159 -6.323 -9.178 1.00 0.00 H new ATOM 0 HA ARG A 48 5.071 -7.060 -6.549 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.265 -9.246 -7.149 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.105 -8.072 -7.741 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.554 -8.265 -9.976 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.003 -9.812 -9.287 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.417 -10.118 -8.908 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.257 -8.831 -10.086 1.00 0.00 H new ATOM 0 HE ARG A 48 4.022 -11.019 -10.945 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.728 -9.752 -10.814 1.00 0.00 H new ATOM 0 HH12 ARG A 48 0.181 -10.713 -12.193 1.00 0.00 H new ATOM 0 HH21 ARG A 48 3.312 -12.246 -12.716 1.00 0.00 H new ATOM 0 HH22 ARG A 48 1.637 -12.118 -13.264 1.00 0.00 H new ATOM 795 N VAL A 49 7.476 -7.449 -7.058 1.00 0.00 N ATOM 796 CA VAL A 49 8.869 -7.837 -7.249 1.00 0.00 C ATOM 797 C VAL A 49 9.125 -9.243 -6.718 1.00 0.00 C ATOM 798 O VAL A 49 9.141 -9.469 -5.509 1.00 0.00 O ATOM 799 CB VAL A 49 9.825 -6.854 -6.549 1.00 0.00 C ATOM 800 CG1 VAL A 49 11.273 -7.261 -6.779 1.00 0.00 C ATOM 801 CG2 VAL A 49 9.579 -5.433 -7.035 1.00 0.00 C ATOM 0 H VAL A 49 7.303 -6.899 -6.217 1.00 0.00 H new ATOM 0 HA VAL A 49 9.060 -7.817 -8.322 1.00 0.00 H new ATOM 0 HB VAL A 49 9.629 -6.886 -5.477 1.00 0.00 H new ATOM 0 HG11 VAL A 49 11.934 -6.554 -6.277 1.00 0.00 H new ATOM 0 HG12 VAL A 49 11.438 -8.261 -6.377 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.486 -7.260 -7.848 1.00 0.00 H new ATOM 0 HG21 VAL A 49 10.264 -4.752 -6.529 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.746 -5.383 -8.111 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.551 -5.145 -6.813 1.00 0.00 H new ATOM 811 N GLY A 50 9.327 -10.187 -7.633 1.00 0.00 N ATOM 812 CA GLY A 50 9.581 -11.560 -7.238 1.00 0.00 C ATOM 813 C GLY A 50 8.456 -12.141 -6.405 1.00 0.00 C ATOM 814 O GLY A 50 7.386 -12.451 -6.926 1.00 0.00 O ATOM 0 H GLY A 50 9.319 -10.025 -8.640 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.722 -12.171 -8.129 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.510 -11.606 -6.670 1.00 0.00 H new ATOM 818 N GLU A 51 8.700 -12.291 -5.106 1.00 0.00 N ATOM 819 CA GLU A 51 7.699 -12.842 -4.200 1.00 0.00 C ATOM 820 C GLU A 51 7.200 -11.776 -3.229 1.00 0.00 C ATOM 821 O GLU A 51 6.839 -12.079 -2.092 1.00 0.00 O ATOM 822 CB GLU A 51 8.279 -14.025 -3.423 1.00 0.00 C ATOM 823 CG GLU A 51 7.222 -14.974 -2.882 1.00 0.00 C ATOM 824 CD GLU A 51 7.803 -16.032 -1.964 1.00 0.00 C ATOM 825 OE1 GLU A 51 8.026 -15.726 -0.774 1.00 0.00 O ATOM 826 OE2 GLU A 51 8.036 -17.165 -2.436 1.00 0.00 O ATOM 0 H GLU A 51 9.581 -12.039 -4.658 1.00 0.00 H new ATOM 0 HA GLU A 51 6.855 -13.188 -4.797 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.955 -14.580 -4.074 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.875 -13.647 -2.593 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.469 -14.402 -2.340 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.715 -15.460 -3.715 1.00 0.00 H new ATOM 833 N GLU A 52 7.184 -10.528 -3.686 1.00 0.00 N ATOM 834 CA GLU A 52 6.730 -9.417 -2.856 1.00 0.00 C ATOM 835 C GLU A 52 6.178 -8.285 -3.717 1.00 0.00 C ATOM 836 O GLU A 52 6.209 -8.353 -4.947 1.00 0.00 O ATOM 837 CB GLU A 52 7.878 -8.899 -1.988 1.00 0.00 C ATOM 838 CG GLU A 52 8.509 -9.968 -1.111 1.00 0.00 C ATOM 839 CD GLU A 52 9.340 -9.383 0.015 1.00 0.00 C ATOM 840 OE1 GLU A 52 8.747 -8.897 1.000 1.00 0.00 O ATOM 841 OE2 GLU A 52 10.584 -9.413 -0.090 1.00 0.00 O ATOM 0 H GLU A 52 7.480 -10.261 -4.625 1.00 0.00 H new ATOM 0 HA GLU A 52 5.931 -9.781 -2.210 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.645 -8.471 -2.633 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.508 -8.093 -1.354 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.725 -10.597 -0.690 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.138 -10.612 -1.725 1.00 0.00 H new ATOM 848 N LEU A 53 5.673 -7.245 -3.064 1.00 0.00 N ATOM 849 CA LEU A 53 5.113 -6.097 -3.768 1.00 0.00 C ATOM 850 C LEU A 53 5.655 -4.790 -3.197 1.00 0.00 C ATOM 851 O LEU A 53 5.827 -4.654 -1.986 1.00 0.00 O ATOM 852 CB LEU A 53 3.586 -6.113 -3.676 1.00 0.00 C ATOM 853 CG LEU A 53 2.851 -6.795 -4.831 1.00 0.00 C ATOM 854 CD1 LEU A 53 1.560 -7.431 -4.340 1.00 0.00 C ATOM 855 CD2 LEU A 53 2.567 -5.799 -5.945 1.00 0.00 C ATOM 0 H LEU A 53 5.640 -7.173 -2.047 1.00 0.00 H new ATOM 0 HA LEU A 53 5.409 -6.164 -4.815 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.303 -6.610 -2.748 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.235 -5.083 -3.606 1.00 0.00 H new ATOM 0 HG LEU A 53 3.491 -7.582 -5.230 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.050 -7.911 -5.175 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.788 -8.176 -3.577 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.914 -6.662 -3.915 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.044 -6.302 -6.758 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.947 -4.990 -5.560 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.507 -5.391 -6.316 1.00 0.00 H new ATOM 867 N VAL A 54 5.920 -3.831 -4.078 1.00 0.00 N ATOM 868 CA VAL A 54 6.439 -2.533 -3.662 1.00 0.00 C ATOM 869 C VAL A 54 5.528 -1.402 -4.125 1.00 0.00 C ATOM 870 O VAL A 54 5.529 -1.031 -5.299 1.00 0.00 O ATOM 871 CB VAL A 54 7.857 -2.293 -4.213 1.00 0.00 C ATOM 872 CG1 VAL A 54 8.310 -0.870 -3.922 1.00 0.00 C ATOM 873 CG2 VAL A 54 8.834 -3.302 -3.627 1.00 0.00 C ATOM 0 H VAL A 54 5.784 -3.928 -5.084 1.00 0.00 H new ATOM 0 HA VAL A 54 6.477 -2.542 -2.573 1.00 0.00 H new ATOM 0 HB VAL A 54 7.835 -2.428 -5.294 1.00 0.00 H new ATOM 0 HG11 VAL A 54 9.314 -0.719 -4.319 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.624 -0.166 -4.394 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.317 -0.703 -2.845 1.00 0.00 H new ATOM 0 HG21 VAL A 54 9.831 -3.118 -4.027 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.854 -3.201 -2.542 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.518 -4.311 -3.892 1.00 0.00 H new ATOM 883 N VAL A 55 4.749 -0.858 -3.195 1.00 0.00 N ATOM 884 CA VAL A 55 3.833 0.232 -3.508 1.00 0.00 C ATOM 885 C VAL A 55 4.462 1.585 -3.194 1.00 0.00 C ATOM 886 O VAL A 55 5.021 1.787 -2.115 1.00 0.00 O ATOM 887 CB VAL A 55 2.513 0.098 -2.725 1.00 0.00 C ATOM 888 CG1 VAL A 55 1.709 1.386 -2.808 1.00 0.00 C ATOM 889 CG2 VAL A 55 1.704 -1.080 -3.245 1.00 0.00 C ATOM 0 H VAL A 55 4.734 -1.154 -2.219 1.00 0.00 H new ATOM 0 HA VAL A 55 3.621 0.171 -4.576 1.00 0.00 H new ATOM 0 HB VAL A 55 2.749 -0.087 -1.677 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.780 1.272 -2.249 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.290 2.205 -2.384 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.480 1.605 -3.851 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.775 -1.160 -2.681 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.476 -0.928 -4.300 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.280 -1.998 -3.127 1.00 0.00 H new ATOM 899 N HIS A 56 4.366 2.510 -4.143 1.00 0.00 N ATOM 900 CA HIS A 56 4.925 3.846 -3.968 1.00 0.00 C ATOM 901 C HIS A 56 3.826 4.859 -3.660 1.00 0.00 C ATOM 902 O HIS A 56 3.120 5.317 -4.560 1.00 0.00 O ATOM 903 CB HIS A 56 5.689 4.271 -5.222 1.00 0.00 C ATOM 904 CG HIS A 56 6.930 3.468 -5.468 1.00 0.00 C ATOM 905 ND1 HIS A 56 8.199 4.003 -5.397 1.00 0.00 N ATOM 906 CD2 HIS A 56 7.091 2.162 -5.785 1.00 0.00 C ATOM 907 CE1 HIS A 56 9.086 3.061 -5.661 1.00 0.00 C ATOM 908 NE2 HIS A 56 8.440 1.934 -5.899 1.00 0.00 N ATOM 0 H HIS A 56 3.907 2.359 -5.041 1.00 0.00 H new ATOM 0 HA HIS A 56 5.615 3.816 -3.124 1.00 0.00 H new ATOM 0 HB2 HIS A 56 5.031 4.182 -6.086 1.00 0.00 H new ATOM 0 HB3 HIS A 56 5.959 5.323 -5.134 1.00 0.00 H new ATOM 0 HD1 HIS A 56 8.418 4.974 -5.175 1.00 0.00 H new ATOM 0 HD2 HIS A 56 6.305 1.435 -5.923 1.00 0.00 H new ATOM 0 HE1 HIS A 56 10.158 3.190 -5.679 1.00 0.00 H new ATOM 916 N LEU A 57 3.686 5.204 -2.385 1.00 0.00 N ATOM 917 CA LEU A 57 2.672 6.162 -1.958 1.00 0.00 C ATOM 918 C LEU A 57 3.018 7.569 -2.435 1.00 0.00 C ATOM 919 O LEU A 57 4.190 7.927 -2.545 1.00 0.00 O ATOM 920 CB LEU A 57 2.536 6.145 -0.435 1.00 0.00 C ATOM 921 CG LEU A 57 2.276 4.779 0.201 1.00 0.00 C ATOM 922 CD1 LEU A 57 2.373 4.869 1.716 1.00 0.00 C ATOM 923 CD2 LEU A 57 0.913 4.247 -0.217 1.00 0.00 C ATOM 0 H LEU A 57 4.262 4.835 -1.629 1.00 0.00 H new ATOM 0 HA LEU A 57 1.721 5.871 -2.404 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.449 6.556 -0.004 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.722 6.814 -0.156 1.00 0.00 H new ATOM 0 HG LEU A 57 3.039 4.084 -0.151 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.185 3.888 2.152 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.371 5.206 1.997 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.633 5.578 2.086 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.745 3.274 0.245 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.137 4.941 0.106 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.880 4.144 -1.302 1.00 0.00 H new ATOM 935 N ALA A 58 1.989 8.363 -2.713 1.00 0.00 N ATOM 936 CA ALA A 58 2.184 9.733 -3.173 1.00 0.00 C ATOM 937 C ALA A 58 2.842 10.586 -2.093 1.00 0.00 C ATOM 938 O ALA A 58 2.532 10.456 -0.910 1.00 0.00 O ATOM 939 CB ALA A 58 0.855 10.343 -3.593 1.00 0.00 C ATOM 0 H ALA A 58 1.012 8.081 -2.628 1.00 0.00 H new ATOM 0 HA ALA A 58 2.849 9.709 -4.036 1.00 0.00 H new ATOM 0 HB1 ALA A 58 1.016 11.366 -3.934 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.424 9.754 -4.403 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.172 10.347 -2.744 1.00 0.00 H new ATOM 945 N GLY A 59 3.755 11.459 -2.510 1.00 0.00 N ATOM 946 CA GLY A 59 4.443 12.320 -1.566 1.00 0.00 C ATOM 947 C GLY A 59 5.746 11.719 -1.076 1.00 0.00 C ATOM 948 O GLY A 59 6.729 12.432 -0.874 1.00 0.00 O ATOM 0 H GLY A 59 4.030 11.585 -3.484 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.645 13.282 -2.037 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.792 12.513 -0.713 1.00 0.00 H new ATOM 952 N VAL A 60 5.754 10.404 -0.884 1.00 0.00 N ATOM 953 CA VAL A 60 6.945 9.707 -0.414 1.00 0.00 C ATOM 954 C VAL A 60 7.995 9.611 -1.516 1.00 0.00 C ATOM 955 O VAL A 60 7.947 8.715 -2.359 1.00 0.00 O ATOM 956 CB VAL A 60 6.607 8.289 0.083 1.00 0.00 C ATOM 957 CG1 VAL A 60 7.866 7.570 0.542 1.00 0.00 C ATOM 958 CG2 VAL A 60 5.579 8.349 1.203 1.00 0.00 C ATOM 0 H VAL A 60 4.949 9.800 -1.047 1.00 0.00 H new ATOM 0 HA VAL A 60 7.345 10.288 0.417 1.00 0.00 H new ATOM 0 HB VAL A 60 6.177 7.725 -0.745 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.608 6.570 0.890 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.566 7.495 -0.290 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.328 8.129 1.356 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.351 7.339 1.543 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.980 8.929 2.034 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.668 8.822 0.836 1.00 0.00 H new ATOM 968 N THR A 61 8.946 10.540 -1.502 1.00 0.00 N ATOM 969 CA THR A 61 10.008 10.560 -2.500 1.00 0.00 C ATOM 970 C THR A 61 11.382 10.509 -1.842 1.00 0.00 C ATOM 971 O THR A 61 12.374 10.954 -2.419 1.00 0.00 O ATOM 972 CB THR A 61 9.922 11.818 -3.386 1.00 0.00 C ATOM 973 OG1 THR A 61 10.033 12.995 -2.578 1.00 0.00 O ATOM 974 CG2 THR A 61 8.612 11.848 -4.157 1.00 0.00 C ATOM 0 H THR A 61 9.002 11.288 -0.811 1.00 0.00 H new ATOM 0 HA THR A 61 9.874 9.676 -3.123 1.00 0.00 H new ATOM 0 HB THR A 61 10.745 11.789 -4.100 1.00 0.00 H new ATOM 0 HG1 THR A 61 9.979 13.790 -3.149 1.00 0.00 H new ATOM 0 HG21 THR A 61 8.574 12.745 -4.775 1.00 0.00 H new ATOM 0 HG22 THR A 61 8.544 10.966 -4.793 1.00 0.00 H new ATOM 0 HG23 THR A 61 7.777 11.855 -3.456 1.00 0.00 H new ATOM 982 N ASP A 62 11.433 9.964 -0.631 1.00 0.00 N ATOM 983 CA ASP A 62 12.686 9.853 0.105 1.00 0.00 C ATOM 984 C ASP A 62 12.615 8.727 1.133 1.00 0.00 C ATOM 985 O ASP A 62 11.531 8.338 1.567 1.00 0.00 O ATOM 986 CB ASP A 62 13.013 11.175 0.801 1.00 0.00 C ATOM 987 CG ASP A 62 11.785 11.835 1.396 1.00 0.00 C ATOM 988 OD1 ASP A 62 11.129 12.622 0.683 1.00 0.00 O ATOM 989 OD2 ASP A 62 11.479 11.564 2.577 1.00 0.00 O ATOM 0 H ASP A 62 10.621 9.592 -0.139 1.00 0.00 H new ATOM 0 HA ASP A 62 13.477 9.621 -0.608 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.744 10.996 1.590 1.00 0.00 H new ATOM 0 HB3 ASP A 62 13.476 11.854 0.085 1.00 0.00 H new ATOM 994 N ARG A 63 13.777 8.209 1.517 1.00 0.00 N ATOM 995 CA ARG A 63 13.846 7.127 2.491 1.00 0.00 C ATOM 996 C ARG A 63 13.227 7.551 3.820 1.00 0.00 C ATOM 997 O ARG A 63 12.561 6.760 4.488 1.00 0.00 O ATOM 998 CB ARG A 63 15.298 6.698 2.707 1.00 0.00 C ATOM 999 CG ARG A 63 15.444 5.272 3.212 1.00 0.00 C ATOM 1000 CD ARG A 63 16.787 5.056 3.892 1.00 0.00 C ATOM 1001 NE ARG A 63 16.783 5.529 5.273 1.00 0.00 N ATOM 1002 CZ ARG A 63 17.866 5.558 6.043 1.00 0.00 C ATOM 1003 NH1 ARG A 63 19.032 5.144 5.568 1.00 0.00 N ATOM 1004 NH2 ARG A 63 17.782 6.003 7.291 1.00 0.00 N ATOM 0 H ARG A 63 14.683 8.521 1.168 1.00 0.00 H new ATOM 0 HA ARG A 63 13.279 6.283 2.099 1.00 0.00 H new ATOM 0 HB2 ARG A 63 15.841 6.799 1.767 1.00 0.00 H new ATOM 0 HB3 ARG A 63 15.766 7.377 3.420 1.00 0.00 H new ATOM 0 HG2 ARG A 63 14.640 5.049 3.913 1.00 0.00 H new ATOM 0 HG3 ARG A 63 15.341 4.577 2.378 1.00 0.00 H new ATOM 0 HD2 ARG A 63 17.037 3.995 3.873 1.00 0.00 H new ATOM 0 HD3 ARG A 63 17.564 5.577 3.333 1.00 0.00 H new ATOM 0 HE ARG A 63 15.901 5.855 5.669 1.00 0.00 H new ATOM 0 HH11 ARG A 63 19.100 4.802 4.609 1.00 0.00 H new ATOM 0 HH12 ARG A 63 19.862 5.167 6.161 1.00 0.00 H new ATOM 0 HH21 ARG A 63 16.886 6.323 7.659 1.00 0.00 H new ATOM 0 HH22 ARG A 63 18.613 6.025 7.882 1.00 0.00 H new ATOM 1018 N THR A 64 13.451 8.806 4.197 1.00 0.00 N ATOM 1019 CA THR A 64 12.917 9.336 5.446 1.00 0.00 C ATOM 1020 C THR A 64 11.400 9.201 5.496 1.00 0.00 C ATOM 1021 O THR A 64 10.852 8.564 6.397 1.00 0.00 O ATOM 1022 CB THR A 64 13.297 10.816 5.636 1.00 0.00 C ATOM 1023 OG1 THR A 64 14.717 10.974 5.542 1.00 0.00 O ATOM 1024 CG2 THR A 64 12.812 11.331 6.983 1.00 0.00 C ATOM 0 H THR A 64 13.999 9.475 3.655 1.00 0.00 H new ATOM 0 HA THR A 64 13.357 8.750 6.252 1.00 0.00 H new ATOM 0 HB THR A 64 12.815 11.395 4.849 1.00 0.00 H new ATOM 0 HG1 THR A 64 14.950 11.918 5.662 1.00 0.00 H new ATOM 0 HG21 THR A 64 13.092 12.378 7.094 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.727 11.237 7.039 1.00 0.00 H new ATOM 0 HG23 THR A 64 13.268 10.746 7.782 1.00 0.00 H new ATOM 1032 N LEU A 65 10.725 9.804 4.523 1.00 0.00 N ATOM 1033 CA LEU A 65 9.269 9.751 4.456 1.00 0.00 C ATOM 1034 C LEU A 65 8.775 8.308 4.471 1.00 0.00 C ATOM 1035 O LEU A 65 7.883 7.955 5.242 1.00 0.00 O ATOM 1036 CB LEU A 65 8.771 10.459 3.195 1.00 0.00 C ATOM 1037 CG LEU A 65 8.723 11.986 3.257 1.00 0.00 C ATOM 1038 CD1 LEU A 65 8.428 12.568 1.883 1.00 0.00 C ATOM 1039 CD2 LEU A 65 7.682 12.446 4.267 1.00 0.00 C ATOM 0 H LEU A 65 11.163 10.335 3.770 1.00 0.00 H new ATOM 0 HA LEU A 65 8.871 10.261 5.333 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.412 10.169 2.363 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.770 10.093 2.968 1.00 0.00 H new ATOM 0 HG LEU A 65 9.699 12.348 3.580 1.00 0.00 H new ATOM 0 HD11 LEU A 65 8.398 13.656 1.947 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.209 12.267 1.185 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.465 12.199 1.530 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.662 13.535 4.298 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.701 12.073 3.974 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.937 12.060 5.254 1.00 0.00 H new ATOM 1051 N ALA A 66 9.362 7.478 3.615 1.00 0.00 N ATOM 1052 CA ALA A 66 8.986 6.072 3.533 1.00 0.00 C ATOM 1053 C ALA A 66 9.126 5.386 4.888 1.00 0.00 C ATOM 1054 O ALA A 66 8.185 4.764 5.378 1.00 0.00 O ATOM 1055 CB ALA A 66 9.831 5.360 2.488 1.00 0.00 C ATOM 0 H ALA A 66 10.100 7.755 2.968 1.00 0.00 H new ATOM 0 HA ALA A 66 7.939 6.018 3.235 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.539 4.311 2.438 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.676 5.827 1.515 1.00 0.00 H new ATOM 0 HB3 ALA A 66 10.884 5.431 2.761 1.00 0.00 H new ATOM 1061 N GLU A 67 10.308 5.505 5.486 1.00 0.00 N ATOM 1062 CA GLU A 67 10.571 4.894 6.784 1.00 0.00 C ATOM 1063 C GLU A 67 9.498 5.284 7.796 1.00 0.00 C ATOM 1064 O GLU A 67 9.107 4.482 8.643 1.00 0.00 O ATOM 1065 CB GLU A 67 11.950 5.311 7.298 1.00 0.00 C ATOM 1066 CG GLU A 67 13.075 4.407 6.824 1.00 0.00 C ATOM 1067 CD GLU A 67 14.274 4.432 7.753 1.00 0.00 C ATOM 1068 OE1 GLU A 67 14.752 5.541 8.074 1.00 0.00 O ATOM 1069 OE2 GLU A 67 14.735 3.345 8.158 1.00 0.00 O ATOM 0 H GLU A 67 11.097 6.018 5.093 1.00 0.00 H new ATOM 0 HA GLU A 67 10.551 3.811 6.659 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.155 6.332 6.976 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.935 5.318 8.388 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.705 3.385 6.742 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.387 4.714 5.826 1.00 0.00 H new ATOM 1076 N ALA A 68 9.027 6.524 7.702 1.00 0.00 N ATOM 1077 CA ALA A 68 8.000 7.021 8.608 1.00 0.00 C ATOM 1078 C ALA A 68 6.707 6.225 8.463 1.00 0.00 C ATOM 1079 O ALA A 68 5.928 6.108 9.410 1.00 0.00 O ATOM 1080 CB ALA A 68 7.742 8.499 8.354 1.00 0.00 C ATOM 0 H ALA A 68 9.341 7.202 7.007 1.00 0.00 H new ATOM 0 HA ALA A 68 8.361 6.896 9.629 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.972 8.857 9.038 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.661 9.062 8.516 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.407 8.639 7.326 1.00 0.00 H new ATOM 1086 N LEU A 69 6.485 5.680 7.272 1.00 0.00 N ATOM 1087 CA LEU A 69 5.285 4.894 7.002 1.00 0.00 C ATOM 1088 C LEU A 69 5.609 3.404 6.957 1.00 0.00 C ATOM 1089 O LEU A 69 4.948 2.636 6.259 1.00 0.00 O ATOM 1090 CB LEU A 69 4.653 5.331 5.679 1.00 0.00 C ATOM 1091 CG LEU A 69 4.056 6.738 5.653 1.00 0.00 C ATOM 1092 CD1 LEU A 69 3.612 7.103 4.245 1.00 0.00 C ATOM 1093 CD2 LEU A 69 2.889 6.840 6.625 1.00 0.00 C ATOM 0 H LEU A 69 7.119 5.768 6.478 1.00 0.00 H new ATOM 0 HA LEU A 69 4.576 5.068 7.811 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.411 5.265 4.898 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.868 4.620 5.422 1.00 0.00 H new ATOM 0 HG LEU A 69 4.825 7.445 5.964 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.190 8.108 4.246 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.470 7.070 3.573 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.858 6.393 3.906 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.476 7.848 6.593 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.118 6.123 6.344 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.236 6.622 7.635 1.00 0.00 H new ATOM 1105 N VAL A 70 6.629 3.003 7.709 1.00 0.00 N ATOM 1106 CA VAL A 70 7.039 1.604 7.758 1.00 0.00 C ATOM 1107 C VAL A 70 6.596 0.947 9.060 1.00 0.00 C ATOM 1108 O VAL A 70 6.857 1.461 10.147 1.00 0.00 O ATOM 1109 CB VAL A 70 8.566 1.461 7.616 1.00 0.00 C ATOM 1110 CG1 VAL A 70 9.022 0.094 8.103 1.00 0.00 C ATOM 1111 CG2 VAL A 70 8.991 1.692 6.174 1.00 0.00 C ATOM 0 H VAL A 70 7.187 3.627 8.293 1.00 0.00 H new ATOM 0 HA VAL A 70 6.556 1.103 6.919 1.00 0.00 H new ATOM 0 HB VAL A 70 9.044 2.219 8.237 1.00 0.00 H new ATOM 0 HG11 VAL A 70 10.103 0.011 7.995 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.752 -0.027 9.152 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.538 -0.683 7.511 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.073 1.587 6.092 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.506 0.959 5.530 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.700 2.696 5.865 1.00 0.00 H new ATOM 1121 N GLY A 71 5.924 -0.194 8.942 1.00 0.00 N ATOM 1122 CA GLY A 71 5.455 -0.904 10.118 1.00 0.00 C ATOM 1123 C GLY A 71 3.947 -0.858 10.261 1.00 0.00 C ATOM 1124 O GLY A 71 3.338 -1.785 10.797 1.00 0.00 O ATOM 0 H GLY A 71 5.696 -0.639 8.053 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.780 -1.943 10.065 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.914 -0.471 11.007 1.00 0.00 H new ATOM 1128 N LEU A 72 3.342 0.223 9.781 1.00 0.00 N ATOM 1129 CA LEU A 72 1.895 0.388 9.859 1.00 0.00 C ATOM 1130 C LEU A 72 1.186 -0.559 8.896 1.00 0.00 C ATOM 1131 O LEU A 72 1.816 -1.159 8.025 1.00 0.00 O ATOM 1132 CB LEU A 72 1.508 1.835 9.547 1.00 0.00 C ATOM 1133 CG LEU A 72 1.999 2.890 10.539 1.00 0.00 C ATOM 1134 CD1 LEU A 72 1.704 4.288 10.020 1.00 0.00 C ATOM 1135 CD2 LEU A 72 1.357 2.678 11.902 1.00 0.00 C ATOM 0 H LEU A 72 3.831 0.998 9.334 1.00 0.00 H new ATOM 0 HA LEU A 72 1.581 0.146 10.874 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.892 2.088 8.559 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.421 1.895 9.491 1.00 0.00 H new ATOM 0 HG LEU A 72 3.079 2.786 10.648 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.060 5.026 10.739 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.211 4.436 9.066 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.629 4.406 9.882 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.717 3.437 12.596 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.274 2.755 11.810 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.619 1.689 12.278 1.00 0.00 H new ATOM 1147 N ARG A 73 -0.127 -0.686 9.057 1.00 0.00 N ATOM 1148 CA ARG A 73 -0.921 -1.559 8.201 1.00 0.00 C ATOM 1149 C ARG A 73 -1.745 -0.744 7.209 1.00 0.00 C ATOM 1150 O ARG A 73 -2.197 0.359 7.519 1.00 0.00 O ATOM 1151 CB ARG A 73 -1.844 -2.437 9.048 1.00 0.00 C ATOM 1152 CG ARG A 73 -1.102 -3.409 9.950 1.00 0.00 C ATOM 1153 CD ARG A 73 -0.767 -2.778 11.293 1.00 0.00 C ATOM 1154 NE ARG A 73 -1.917 -2.764 12.193 1.00 0.00 N ATOM 1155 CZ ARG A 73 -1.824 -2.552 13.501 1.00 0.00 C ATOM 1156 NH1 ARG A 73 -0.641 -2.337 14.059 1.00 0.00 N ATOM 1157 NH2 ARG A 73 -2.917 -2.555 14.254 1.00 0.00 N ATOM 0 H ARG A 73 -0.663 -0.195 9.772 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.237 -2.197 7.641 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.478 -1.797 9.662 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.504 -2.999 8.387 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.711 -4.299 10.107 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -0.184 -3.733 9.460 1.00 0.00 H new ATOM 0 HD2 ARG A 73 0.051 -3.328 11.758 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -0.416 -1.758 11.137 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.842 -2.926 11.795 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.201 -2.334 13.484 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -0.573 -2.175 15.064 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -3.829 -2.720 13.828 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -2.845 -2.392 15.258 1.00 0.00 H new ATOM 1171 N VAL A 74 -1.937 -1.294 6.014 1.00 0.00 N ATOM 1172 CA VAL A 74 -2.707 -0.619 4.976 1.00 0.00 C ATOM 1173 C VAL A 74 -4.128 -1.167 4.902 1.00 0.00 C ATOM 1174 O VAL A 74 -4.336 -2.380 4.876 1.00 0.00 O ATOM 1175 CB VAL A 74 -2.039 -0.766 3.596 1.00 0.00 C ATOM 1176 CG1 VAL A 74 -2.863 -0.065 2.527 1.00 0.00 C ATOM 1177 CG2 VAL A 74 -0.620 -0.220 3.631 1.00 0.00 C ATOM 0 H VAL A 74 -1.570 -2.206 5.741 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.741 0.437 5.244 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.990 -1.826 3.346 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.376 -0.179 1.559 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.858 -0.507 2.487 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.946 0.995 2.768 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.163 -0.332 2.648 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.643 0.835 3.903 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.036 -0.772 4.368 1.00 0.00 H new ATOM 1187 N TYR A 75 -5.103 -0.265 4.868 1.00 0.00 N ATOM 1188 CA TYR A 75 -6.505 -0.658 4.799 1.00 0.00 C ATOM 1189 C TYR A 75 -7.096 -0.331 3.431 1.00 0.00 C ATOM 1190 O TYR A 75 -6.671 0.616 2.769 1.00 0.00 O ATOM 1191 CB TYR A 75 -7.308 0.046 5.894 1.00 0.00 C ATOM 1192 CG TYR A 75 -7.101 -0.545 7.271 1.00 0.00 C ATOM 1193 CD1 TYR A 75 -5.914 -0.342 7.964 1.00 0.00 C ATOM 1194 CD2 TYR A 75 -8.093 -1.305 7.878 1.00 0.00 C ATOM 1195 CE1 TYR A 75 -5.721 -0.881 9.221 1.00 0.00 C ATOM 1196 CE2 TYR A 75 -7.909 -1.846 9.136 1.00 0.00 C ATOM 1197 CZ TYR A 75 -6.721 -1.632 9.803 1.00 0.00 C ATOM 1198 OH TYR A 75 -6.532 -2.169 11.056 1.00 0.00 O ATOM 0 H TYR A 75 -4.948 0.743 4.887 1.00 0.00 H new ATOM 0 HA TYR A 75 -6.561 -1.736 4.951 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -7.032 1.100 5.915 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -8.368 -0.001 5.643 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -5.129 0.247 7.512 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -9.024 -1.476 7.358 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -4.792 -0.715 9.746 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -8.691 -2.433 9.594 1.00 0.00 H new ATOM 0 HH TYR A 75 -7.332 -2.669 11.322 1.00 0.00 H new ATOM 1208 N ALA A 76 -8.079 -1.122 3.013 1.00 0.00 N ATOM 1209 CA ALA A 76 -8.730 -0.916 1.726 1.00 0.00 C ATOM 1210 C ALA A 76 -10.209 -0.589 1.905 1.00 0.00 C ATOM 1211 O ALA A 76 -10.779 -0.816 2.972 1.00 0.00 O ATOM 1212 CB ALA A 76 -8.562 -2.146 0.847 1.00 0.00 C ATOM 0 H ALA A 76 -8.442 -1.911 3.548 1.00 0.00 H new ATOM 0 HA ALA A 76 -8.254 -0.066 1.237 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.053 -1.978 -0.111 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -7.501 -2.334 0.683 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -9.011 -3.009 1.339 1.00 0.00 H new ATOM 1218 N GLU A 77 -10.824 -0.055 0.854 1.00 0.00 N ATOM 1219 CA GLU A 77 -12.237 0.304 0.898 1.00 0.00 C ATOM 1220 C GLU A 77 -13.023 -0.450 -0.172 1.00 0.00 C ATOM 1221 O GLU A 77 -12.819 -0.244 -1.368 1.00 0.00 O ATOM 1222 CB GLU A 77 -12.409 1.812 0.705 1.00 0.00 C ATOM 1223 CG GLU A 77 -13.659 2.371 1.364 1.00 0.00 C ATOM 1224 CD GLU A 77 -13.977 3.782 0.909 1.00 0.00 C ATOM 1225 OE1 GLU A 77 -13.922 4.039 -0.312 1.00 0.00 O ATOM 1226 OE2 GLU A 77 -14.280 4.630 1.774 1.00 0.00 O ATOM 0 H GLU A 77 -10.367 0.138 -0.037 1.00 0.00 H new ATOM 0 HA GLU A 77 -12.627 0.024 1.876 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.536 2.324 1.109 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.442 2.032 -0.362 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.505 1.721 1.139 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -13.529 2.363 2.446 1.00 0.00 H new ATOM 1233 N VAL A 78 -13.922 -1.324 0.269 1.00 0.00 N ATOM 1234 CA VAL A 78 -14.739 -2.108 -0.649 1.00 0.00 C ATOM 1235 C VAL A 78 -15.377 -1.221 -1.712 1.00 0.00 C ATOM 1236 O VAL A 78 -15.575 -1.643 -2.850 1.00 0.00 O ATOM 1237 CB VAL A 78 -15.848 -2.872 0.100 1.00 0.00 C ATOM 1238 CG1 VAL A 78 -16.601 -3.789 -0.852 1.00 0.00 C ATOM 1239 CG2 VAL A 78 -15.261 -3.660 1.260 1.00 0.00 C ATOM 0 H VAL A 78 -14.103 -1.507 1.256 1.00 0.00 H new ATOM 0 HA VAL A 78 -14.075 -2.826 -1.130 1.00 0.00 H new ATOM 0 HB VAL A 78 -16.555 -2.148 0.504 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -17.380 -4.320 -0.305 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -17.055 -3.196 -1.646 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -15.908 -4.509 -1.288 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -16.058 -4.193 1.778 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -14.532 -4.376 0.881 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -14.772 -2.976 1.954 1.00 0.00 H new ATOM 1249 N ALA A 79 -15.697 0.012 -1.332 1.00 0.00 N ATOM 1250 CA ALA A 79 -16.310 0.961 -2.253 1.00 0.00 C ATOM 1251 C ALA A 79 -15.620 0.930 -3.613 1.00 0.00 C ATOM 1252 O ALA A 79 -16.269 1.060 -4.651 1.00 0.00 O ATOM 1253 CB ALA A 79 -16.269 2.365 -1.669 1.00 0.00 C ATOM 0 H ALA A 79 -15.542 0.377 -0.392 1.00 0.00 H new ATOM 0 HA ALA A 79 -17.351 0.670 -2.397 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -16.730 3.063 -2.368 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -16.814 2.383 -0.725 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -15.233 2.657 -1.495 1.00 0.00 H new ATOM 1259 N ASP A 80 -14.303 0.758 -3.599 1.00 0.00 N ATOM 1260 CA ASP A 80 -13.525 0.709 -4.831 1.00 0.00 C ATOM 1261 C ASP A 80 -13.451 -0.715 -5.371 1.00 0.00 C ATOM 1262 O ASP A 80 -13.575 -0.942 -6.576 1.00 0.00 O ATOM 1263 CB ASP A 80 -12.116 1.252 -4.591 1.00 0.00 C ATOM 1264 CG ASP A 80 -11.301 1.332 -5.867 1.00 0.00 C ATOM 1265 OD1 ASP A 80 -11.905 1.511 -6.946 1.00 0.00 O ATOM 1266 OD2 ASP A 80 -10.061 1.218 -5.787 1.00 0.00 O ATOM 0 H ASP A 80 -13.752 0.650 -2.748 1.00 0.00 H new ATOM 0 HA ASP A 80 -14.024 1.333 -5.572 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -12.183 2.244 -4.144 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.601 0.613 -3.874 1.00 0.00 H new ATOM 1271 N LEU A 81 -13.246 -1.673 -4.473 1.00 0.00 N ATOM 1272 CA LEU A 81 -13.153 -3.077 -4.859 1.00 0.00 C ATOM 1273 C LEU A 81 -14.297 -3.462 -5.791 1.00 0.00 C ATOM 1274 O LEU A 81 -15.411 -2.946 -5.693 1.00 0.00 O ATOM 1275 CB LEU A 81 -13.170 -3.969 -3.617 1.00 0.00 C ATOM 1276 CG LEU A 81 -12.077 -3.699 -2.582 1.00 0.00 C ATOM 1277 CD1 LEU A 81 -12.309 -4.534 -1.332 1.00 0.00 C ATOM 1278 CD2 LEU A 81 -10.703 -3.984 -3.169 1.00 0.00 C ATOM 0 H LEU A 81 -13.141 -1.503 -3.473 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.212 -3.221 -5.390 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -14.139 -3.861 -3.130 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -13.089 -5.007 -3.939 1.00 0.00 H new ATOM 0 HG LEU A 81 -12.119 -2.646 -2.304 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.522 -4.329 -0.606 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -13.277 -4.280 -0.899 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.295 -5.592 -1.593 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.938 -3.786 -2.418 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.648 -5.028 -3.476 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.537 -3.342 -4.034 1.00 0.00 H new ATOM 1290 N PRO A 82 -14.020 -4.392 -6.717 1.00 0.00 N ATOM 1291 CA PRO A 82 -15.013 -4.869 -7.683 1.00 0.00 C ATOM 1292 C PRO A 82 -16.104 -5.708 -7.026 1.00 0.00 C ATOM 1293 O PRO A 82 -15.876 -6.400 -6.034 1.00 0.00 O ATOM 1294 CB PRO A 82 -14.188 -5.725 -8.647 1.00 0.00 C ATOM 1295 CG PRO A 82 -13.013 -6.171 -7.848 1.00 0.00 C ATOM 1296 CD PRO A 82 -12.714 -5.050 -6.891 1.00 0.00 C ATOM 0 HA PRO A 82 -15.539 -4.046 -8.166 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -14.764 -6.575 -9.013 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -13.878 -5.151 -9.520 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -13.233 -7.094 -7.312 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -12.157 -6.373 -8.492 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -12.323 -5.423 -5.945 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -11.969 -4.364 -7.295 1.00 0.00 H new ATOM 1304 N PRO A 83 -17.319 -5.647 -7.591 1.00 0.00 N ATOM 1305 CA PRO A 83 -18.470 -6.397 -7.076 1.00 0.00 C ATOM 1306 C PRO A 83 -18.332 -7.898 -7.303 1.00 0.00 C ATOM 1307 O PRO A 83 -17.914 -8.339 -8.374 1.00 0.00 O ATOM 1308 CB PRO A 83 -19.645 -5.840 -7.883 1.00 0.00 C ATOM 1309 CG PRO A 83 -19.034 -5.339 -9.146 1.00 0.00 C ATOM 1310 CD PRO A 83 -17.664 -4.843 -8.775 1.00 0.00 C ATOM 0 HA PRO A 83 -18.583 -6.282 -5.998 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -20.389 -6.611 -8.082 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -20.152 -5.040 -7.344 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -18.973 -6.132 -9.891 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -19.634 -4.539 -9.580 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -16.950 -4.993 -9.584 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -17.670 -3.777 -8.549 1.00 0.00 H new ATOM 1318 N LEU A 84 -18.685 -8.680 -6.288 1.00 0.00 N ATOM 1319 CA LEU A 84 -18.601 -10.133 -6.377 1.00 0.00 C ATOM 1320 C LEU A 84 -19.791 -10.702 -7.143 1.00 0.00 C ATOM 1321 O LEU A 84 -20.383 -11.701 -6.737 1.00 0.00 O ATOM 1322 CB LEU A 84 -18.541 -10.747 -4.977 1.00 0.00 C ATOM 1323 CG LEU A 84 -17.190 -10.667 -4.266 1.00 0.00 C ATOM 1324 CD1 LEU A 84 -16.160 -11.529 -4.980 1.00 0.00 C ATOM 1325 CD2 LEU A 84 -16.715 -9.224 -4.184 1.00 0.00 C ATOM 0 H LEU A 84 -19.032 -8.332 -5.394 1.00 0.00 H new ATOM 0 HA LEU A 84 -17.689 -10.387 -6.918 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -19.287 -10.254 -4.354 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -18.829 -11.796 -5.049 1.00 0.00 H new ATOM 0 HG LEU A 84 -17.312 -11.047 -3.251 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -15.204 -11.460 -4.460 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -16.495 -12.566 -4.987 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -16.041 -11.180 -6.006 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -15.752 -9.186 -3.675 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -16.610 -8.818 -5.190 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -17.443 -8.632 -3.628 1.00 0.00 H new ATOM 1337 N GLU A 85 -20.134 -10.059 -8.255 1.00 0.00 N ATOM 1338 CA GLU A 85 -21.253 -10.502 -9.079 1.00 0.00 C ATOM 1339 C GLU A 85 -20.829 -11.636 -10.008 1.00 0.00 C ATOM 1340 O GLU A 85 -21.577 -12.033 -10.900 1.00 0.00 O ATOM 1341 CB GLU A 85 -21.805 -9.335 -9.900 1.00 0.00 C ATOM 1342 CG GLU A 85 -22.617 -8.345 -9.082 1.00 0.00 C ATOM 1343 CD GLU A 85 -24.048 -8.799 -8.870 1.00 0.00 C ATOM 1344 OE1 GLU A 85 -24.251 -9.983 -8.528 1.00 0.00 O ATOM 1345 OE2 GLU A 85 -24.965 -7.970 -9.045 1.00 0.00 O ATOM 0 H GLU A 85 -19.654 -9.230 -8.606 1.00 0.00 H new ATOM 0 HA GLU A 85 -22.035 -10.872 -8.416 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -20.975 -8.809 -10.372 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -22.429 -9.729 -10.702 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -22.138 -8.201 -8.113 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -22.617 -7.378 -9.585 1.00 0.00 H new TER 1352 GLU A 85