USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=8 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 -96:sc= 0.00353 USER MOD Set 1.2: A 56 HIS : no HE2:sc= -3.16! K(o=-3.2!,f=-2.5) USER MOD Single : A 1 MET CE :methyl 177:sc= -0.266 (180deg=-0.354) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (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= -0.202 X(o=-0.2,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -1.46 K(o=-1.5,f=-0.013) 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 -16.718 3.643 8.507 1.00 0.00 N ATOM 2 CA MET A 1 -15.938 3.586 7.276 1.00 0.00 C ATOM 3 C MET A 1 -15.608 2.143 6.908 1.00 0.00 C ATOM 4 O MET A 1 -14.760 1.511 7.537 1.00 0.00 O ATOM 5 CB MET A 1 -14.648 4.394 7.427 1.00 0.00 C ATOM 6 CG MET A 1 -14.873 5.897 7.471 1.00 0.00 C ATOM 7 SD MET A 1 -13.407 6.834 7.000 1.00 0.00 S ATOM 8 CE MET A 1 -12.257 6.327 8.276 1.00 0.00 C ATOM 0 H1 MET A 1 -16.931 4.635 8.738 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.607 3.119 8.379 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.173 3.216 9.283 1.00 0.00 H new ATOM 0 HA MET A 1 -16.537 4.018 6.475 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.140 4.084 8.340 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.982 4.159 6.596 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.695 6.157 6.804 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.176 6.186 8.478 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.284 6.782 8.091 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.628 6.648 9.249 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.158 5.242 8.266 1.00 0.00 H new ATOM 18 N ARG A 2 -16.283 1.629 5.885 1.00 0.00 N ATOM 19 CA ARG A 2 -16.062 0.260 5.434 1.00 0.00 C ATOM 20 C ARG A 2 -14.616 0.061 4.989 1.00 0.00 C ATOM 21 O ARG A 2 -14.309 0.119 3.798 1.00 0.00 O ATOM 22 CB ARG A 2 -17.012 -0.081 4.285 1.00 0.00 C ATOM 23 CG ARG A 2 -18.340 -0.661 4.744 1.00 0.00 C ATOM 24 CD ARG A 2 -18.956 -1.555 3.679 1.00 0.00 C ATOM 25 NE ARG A 2 -18.383 -2.898 3.694 1.00 0.00 N ATOM 26 CZ ARG A 2 -18.813 -3.889 2.922 1.00 0.00 C ATOM 27 NH1 ARG A 2 -19.815 -3.689 2.077 1.00 0.00 N ATOM 28 NH2 ARG A 2 -18.240 -5.084 2.993 1.00 0.00 N ATOM 0 H ARG A 2 -16.987 2.140 5.353 1.00 0.00 H new ATOM 0 HA ARG A 2 -16.262 -0.408 6.272 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -17.201 0.820 3.702 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -16.524 -0.794 3.621 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -18.191 -1.234 5.659 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -19.029 0.149 4.983 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -20.033 -1.618 3.837 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -18.804 -1.107 2.697 1.00 0.00 H new ATOM 0 HE ARG A 2 -17.610 -3.085 4.333 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -20.258 -2.772 2.019 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -20.143 -4.452 1.485 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -17.468 -5.242 3.641 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -18.571 -5.844 2.399 1.00 0.00 H new ATOM 42 N LEU A 3 -13.733 -0.172 5.953 1.00 0.00 N ATOM 43 CA LEU A 3 -12.319 -0.380 5.662 1.00 0.00 C ATOM 44 C LEU A 3 -11.851 -1.739 6.171 1.00 0.00 C ATOM 45 O LEU A 3 -12.466 -2.325 7.062 1.00 0.00 O ATOM 46 CB LEU A 3 -11.479 0.732 6.294 1.00 0.00 C ATOM 47 CG LEU A 3 -11.819 2.159 5.862 1.00 0.00 C ATOM 48 CD1 LEU A 3 -11.132 3.169 6.768 1.00 0.00 C ATOM 49 CD2 LEU A 3 -11.422 2.385 4.410 1.00 0.00 C ATOM 0 H LEU A 3 -13.971 -0.222 6.944 1.00 0.00 H new ATOM 0 HA LEU A 3 -12.189 -0.355 4.580 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -11.583 0.667 7.377 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -10.431 0.544 6.063 1.00 0.00 H new ATOM 0 HG LEU A 3 -12.897 2.298 5.949 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -11.386 4.179 6.445 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -11.465 3.022 7.795 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -10.052 3.031 6.714 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -11.671 3.406 4.119 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -10.349 2.227 4.297 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -11.961 1.684 3.772 1.00 0.00 H new ATOM 61 N VAL A 4 -10.756 -2.234 5.602 1.00 0.00 N ATOM 62 CA VAL A 4 -10.203 -3.523 6.002 1.00 0.00 C ATOM 63 C VAL A 4 -8.731 -3.630 5.622 1.00 0.00 C ATOM 64 O VAL A 4 -8.312 -3.136 4.576 1.00 0.00 O ATOM 65 CB VAL A 4 -10.975 -4.689 5.355 1.00 0.00 C ATOM 66 CG1 VAL A 4 -12.433 -4.669 5.787 1.00 0.00 C ATOM 67 CG2 VAL A 4 -10.858 -4.629 3.840 1.00 0.00 C ATOM 0 H VAL A 4 -10.235 -1.762 4.863 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.301 -3.588 7.086 1.00 0.00 H new ATOM 0 HB VAL A 4 -10.534 -5.627 5.694 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -12.962 -5.500 5.320 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -12.493 -4.764 6.871 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -12.891 -3.729 5.480 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -11.409 -5.460 3.399 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -11.272 -3.687 3.480 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -9.809 -4.697 3.553 1.00 0.00 H new ATOM 77 N GLU A 5 -7.950 -4.280 6.480 1.00 0.00 N ATOM 78 CA GLU A 5 -6.523 -4.452 6.234 1.00 0.00 C ATOM 79 C GLU A 5 -6.275 -5.572 5.228 1.00 0.00 C ATOM 80 O GLU A 5 -6.725 -6.703 5.420 1.00 0.00 O ATOM 81 CB GLU A 5 -5.790 -4.755 7.543 1.00 0.00 C ATOM 82 CG GLU A 5 -4.345 -5.179 7.346 1.00 0.00 C ATOM 83 CD GLU A 5 -3.817 -6.005 8.504 1.00 0.00 C ATOM 84 OE1 GLU A 5 -4.352 -5.868 9.624 1.00 0.00 O ATOM 85 OE2 GLU A 5 -2.869 -6.789 8.288 1.00 0.00 O ATOM 0 H GLU A 5 -8.281 -4.696 7.351 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.138 -3.521 5.817 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -5.817 -3.870 8.178 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.322 -5.544 8.074 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.262 -5.756 6.425 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -3.723 -4.292 7.224 1.00 0.00 H new ATOM 92 N ILE A 6 -5.559 -5.250 4.157 1.00 0.00 N ATOM 93 CA ILE A 6 -5.251 -6.228 3.122 1.00 0.00 C ATOM 94 C ILE A 6 -3.780 -6.629 3.164 1.00 0.00 C ATOM 95 O ILE A 6 -3.442 -7.805 3.035 1.00 0.00 O ATOM 96 CB ILE A 6 -5.583 -5.687 1.719 1.00 0.00 C ATOM 97 CG1 ILE A 6 -4.970 -4.299 1.525 1.00 0.00 C ATOM 98 CG2 ILE A 6 -7.090 -5.640 1.513 1.00 0.00 C ATOM 99 CD1 ILE A 6 -5.235 -3.707 0.158 1.00 0.00 C ATOM 0 H ILE A 6 -5.181 -4.319 3.983 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.870 -7.103 3.321 1.00 0.00 H new ATOM 0 HB ILE A 6 -5.155 -6.359 0.976 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.365 -3.626 2.286 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.893 -4.361 1.683 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.309 -5.256 0.517 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.502 -6.644 1.613 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -7.539 -4.987 2.261 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.771 -2.723 0.092 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.815 -4.359 -0.608 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -6.310 -3.613 0.005 1.00 0.00 H new ATOM 111 N GLY A 7 -2.908 -5.642 3.348 1.00 0.00 N ATOM 112 CA GLY A 7 -1.483 -5.912 3.406 1.00 0.00 C ATOM 113 C GLY A 7 -0.767 -5.034 4.413 1.00 0.00 C ATOM 114 O GLY A 7 -1.387 -4.192 5.063 1.00 0.00 O ATOM 0 H GLY A 7 -3.163 -4.661 3.458 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.325 -6.959 3.664 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.047 -5.758 2.419 1.00 0.00 H new ATOM 118 N ARG A 8 0.540 -5.232 4.544 1.00 0.00 N ATOM 119 CA ARG A 8 1.340 -4.453 5.481 1.00 0.00 C ATOM 120 C ARG A 8 2.694 -4.095 4.874 1.00 0.00 C ATOM 121 O ARG A 8 3.209 -4.810 4.014 1.00 0.00 O ATOM 122 CB ARG A 8 1.543 -5.233 6.782 1.00 0.00 C ATOM 123 CG ARG A 8 2.102 -4.390 7.916 1.00 0.00 C ATOM 124 CD ARG A 8 2.539 -5.254 9.089 1.00 0.00 C ATOM 125 NE ARG A 8 2.447 -4.539 10.359 1.00 0.00 N ATOM 126 CZ ARG A 8 3.018 -4.960 11.482 1.00 0.00 C ATOM 127 NH1 ARG A 8 3.719 -6.086 11.492 1.00 0.00 N ATOM 128 NH2 ARG A 8 2.889 -4.255 12.599 1.00 0.00 N ATOM 0 H ARG A 8 1.068 -5.925 4.013 1.00 0.00 H new ATOM 0 HA ARG A 8 0.803 -3.530 5.698 1.00 0.00 H new ATOM 0 HB2 ARG A 8 0.589 -5.659 7.093 1.00 0.00 H new ATOM 0 HB3 ARG A 8 2.218 -6.068 6.594 1.00 0.00 H new ATOM 0 HG2 ARG A 8 2.950 -3.809 7.555 1.00 0.00 H new ATOM 0 HG3 ARG A 8 1.346 -3.678 8.248 1.00 0.00 H new ATOM 0 HD2 ARG A 8 1.918 -6.149 9.131 1.00 0.00 H new ATOM 0 HD3 ARG A 8 3.566 -5.585 8.933 1.00 0.00 H new ATOM 0 HE ARG A 8 1.915 -3.669 10.385 1.00 0.00 H new ATOM 0 HH11 ARG A 8 3.821 -6.631 10.636 1.00 0.00 H new ATOM 0 HH12 ARG A 8 4.156 -6.407 12.356 1.00 0.00 H new ATOM 0 HH21 ARG A 8 2.351 -3.389 12.596 1.00 0.00 H new ATOM 0 HH22 ARG A 8 3.328 -4.580 13.461 1.00 0.00 H new ATOM 142 N PHE A 9 3.265 -2.984 5.327 1.00 0.00 N ATOM 143 CA PHE A 9 4.557 -2.530 4.828 1.00 0.00 C ATOM 144 C PHE A 9 5.699 -3.224 5.565 1.00 0.00 C ATOM 145 O PHE A 9 5.733 -3.252 6.794 1.00 0.00 O ATOM 146 CB PHE A 9 4.683 -1.013 4.983 1.00 0.00 C ATOM 147 CG PHE A 9 3.619 -0.245 4.251 1.00 0.00 C ATOM 148 CD1 PHE A 9 3.451 -0.399 2.885 1.00 0.00 C ATOM 149 CD2 PHE A 9 2.787 0.629 4.930 1.00 0.00 C ATOM 150 CE1 PHE A 9 2.473 0.306 2.209 1.00 0.00 C ATOM 151 CE2 PHE A 9 1.807 1.338 4.261 1.00 0.00 C ATOM 152 CZ PHE A 9 1.649 1.175 2.898 1.00 0.00 C ATOM 0 H PHE A 9 2.853 -2.381 6.039 1.00 0.00 H new ATOM 0 HA PHE A 9 4.621 -2.787 3.771 1.00 0.00 H new ATOM 0 HB2 PHE A 9 4.639 -0.759 6.042 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.662 -0.699 4.620 1.00 0.00 H new ATOM 0 HD1 PHE A 9 4.092 -1.078 2.342 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.905 0.758 5.996 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.353 0.178 1.143 1.00 0.00 H new ATOM 0 HE2 PHE A 9 1.166 2.018 4.803 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.883 1.726 2.372 1.00 0.00 H new ATOM 162 N GLY A 10 6.633 -3.785 4.803 1.00 0.00 N ATOM 163 CA GLY A 10 7.763 -4.472 5.399 1.00 0.00 C ATOM 164 C GLY A 10 8.983 -3.581 5.527 1.00 0.00 C ATOM 165 O GLY A 10 9.200 -2.959 6.567 1.00 0.00 O ATOM 0 H GLY A 10 6.627 -3.776 3.783 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.481 -4.840 6.385 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.015 -5.343 4.794 1.00 0.00 H new ATOM 169 N ALA A 11 9.782 -3.519 4.467 1.00 0.00 N ATOM 170 CA ALA A 11 10.986 -2.697 4.465 1.00 0.00 C ATOM 171 C ALA A 11 10.884 -1.577 3.435 1.00 0.00 C ATOM 172 O ALA A 11 10.251 -1.719 2.388 1.00 0.00 O ATOM 173 CB ALA A 11 12.211 -3.556 4.194 1.00 0.00 C ATOM 0 H ALA A 11 9.617 -4.028 3.599 1.00 0.00 H new ATOM 0 HA ALA A 11 11.087 -2.241 5.450 1.00 0.00 H new ATOM 0 HB1 ALA A 11 13.103 -2.929 4.195 1.00 0.00 H new ATOM 0 HB2 ALA A 11 12.301 -4.316 4.970 1.00 0.00 H new ATOM 0 HB3 ALA A 11 12.109 -4.039 3.222 1.00 0.00 H new ATOM 179 N PRO A 12 11.521 -0.435 3.736 1.00 0.00 N ATOM 180 CA PRO A 12 11.516 0.731 2.848 1.00 0.00 C ATOM 181 C PRO A 12 12.329 0.497 1.579 1.00 0.00 C ATOM 182 O PRO A 12 13.543 0.301 1.636 1.00 0.00 O ATOM 183 CB PRO A 12 12.159 1.828 3.701 1.00 0.00 C ATOM 184 CG PRO A 12 13.009 1.097 4.681 1.00 0.00 C ATOM 185 CD PRO A 12 12.294 -0.196 4.965 1.00 0.00 C ATOM 0 HA PRO A 12 10.512 0.975 2.501 1.00 0.00 H new ATOM 0 HB2 PRO A 12 12.754 2.507 3.090 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.404 2.431 4.205 1.00 0.00 H new ATOM 0 HG2 PRO A 12 14.003 0.912 4.274 1.00 0.00 H new ATOM 0 HG3 PRO A 12 13.141 1.679 5.593 1.00 0.00 H new ATOM 0 HD2 PRO A 12 12.994 -1.007 5.163 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.646 -0.114 5.838 1.00 0.00 H new ATOM 193 N TYR A 13 11.653 0.521 0.436 1.00 0.00 N ATOM 194 CA TYR A 13 12.313 0.309 -0.847 1.00 0.00 C ATOM 195 C TYR A 13 13.490 1.264 -1.017 1.00 0.00 C ATOM 196 O TYR A 13 13.747 2.111 -0.162 1.00 0.00 O ATOM 197 CB TYR A 13 11.318 0.498 -1.993 1.00 0.00 C ATOM 198 CG TYR A 13 11.757 -0.146 -3.288 1.00 0.00 C ATOM 199 CD1 TYR A 13 11.781 -1.529 -3.425 1.00 0.00 C ATOM 200 CD2 TYR A 13 12.149 0.626 -4.374 1.00 0.00 C ATOM 201 CE1 TYR A 13 12.182 -2.123 -4.606 1.00 0.00 C ATOM 202 CE2 TYR A 13 12.550 0.041 -5.560 1.00 0.00 C ATOM 203 CZ TYR A 13 12.565 -1.334 -5.671 1.00 0.00 C ATOM 204 OH TYR A 13 12.965 -1.920 -6.849 1.00 0.00 O ATOM 0 H TYR A 13 10.648 0.685 0.371 1.00 0.00 H new ATOM 0 HA TYR A 13 12.691 -0.713 -0.869 1.00 0.00 H new ATOM 0 HB2 TYR A 13 10.354 0.082 -1.699 1.00 0.00 H new ATOM 0 HB3 TYR A 13 11.167 1.565 -2.160 1.00 0.00 H new ATOM 0 HD1 TYR A 13 11.481 -2.150 -2.594 1.00 0.00 H new ATOM 0 HD2 TYR A 13 12.140 1.703 -4.290 1.00 0.00 H new ATOM 0 HE1 TYR A 13 12.196 -3.199 -4.695 1.00 0.00 H new ATOM 0 HE2 TYR A 13 12.850 0.657 -6.395 1.00 0.00 H new ATOM 0 HH TYR A 13 13.200 -1.224 -7.497 1.00 0.00 H new ATOM 214 N ALA A 14 14.203 1.122 -2.130 1.00 0.00 N ATOM 215 CA ALA A 14 15.351 1.972 -2.416 1.00 0.00 C ATOM 216 C ALA A 14 15.054 3.429 -2.076 1.00 0.00 C ATOM 217 O ALA A 14 13.894 3.823 -1.949 1.00 0.00 O ATOM 218 CB ALA A 14 15.754 1.842 -3.878 1.00 0.00 C ATOM 0 H ALA A 14 14.005 0.425 -2.848 1.00 0.00 H new ATOM 0 HA ALA A 14 16.180 1.641 -1.791 1.00 0.00 H new ATOM 0 HB1 ALA A 14 16.613 2.483 -4.077 1.00 0.00 H new ATOM 0 HB2 ALA A 14 16.017 0.806 -4.092 1.00 0.00 H new ATOM 0 HB3 ALA A 14 14.921 2.144 -4.513 1.00 0.00 H new ATOM 224 N LEU A 15 16.108 4.224 -1.928 1.00 0.00 N ATOM 225 CA LEU A 15 15.960 5.638 -1.600 1.00 0.00 C ATOM 226 C LEU A 15 14.834 6.269 -2.412 1.00 0.00 C ATOM 227 O LEU A 15 14.179 7.209 -1.960 1.00 0.00 O ATOM 228 CB LEU A 15 17.271 6.381 -1.861 1.00 0.00 C ATOM 229 CG LEU A 15 18.535 5.734 -1.293 1.00 0.00 C ATOM 230 CD1 LEU A 15 19.756 6.586 -1.603 1.00 0.00 C ATOM 231 CD2 LEU A 15 18.397 5.522 0.208 1.00 0.00 C ATOM 0 H LEU A 15 17.074 3.914 -2.030 1.00 0.00 H new ATOM 0 HA LEU A 15 15.709 5.717 -0.542 1.00 0.00 H new ATOM 0 HB2 LEU A 15 17.395 6.489 -2.938 1.00 0.00 H new ATOM 0 HB3 LEU A 15 17.184 7.386 -1.447 1.00 0.00 H new ATOM 0 HG LEU A 15 18.667 4.761 -1.767 1.00 0.00 H new ATOM 0 HD11 LEU A 15 20.646 6.110 -1.191 1.00 0.00 H new ATOM 0 HD12 LEU A 15 19.865 6.686 -2.683 1.00 0.00 H new ATOM 0 HD13 LEU A 15 19.633 7.573 -1.157 1.00 0.00 H new ATOM 0 HD21 LEU A 15 19.305 5.061 0.595 1.00 0.00 H new ATOM 0 HD22 LEU A 15 18.240 6.483 0.698 1.00 0.00 H new ATOM 0 HD23 LEU A 15 17.546 4.870 0.407 1.00 0.00 H new ATOM 243 N LYS A 16 14.612 5.746 -3.613 1.00 0.00 N ATOM 244 CA LYS A 16 13.562 6.255 -4.488 1.00 0.00 C ATOM 245 C LYS A 16 12.344 6.691 -3.680 1.00 0.00 C ATOM 246 O LYS A 16 11.639 7.626 -4.057 1.00 0.00 O ATOM 247 CB LYS A 16 13.157 5.188 -5.507 1.00 0.00 C ATOM 248 CG LYS A 16 14.153 5.019 -6.640 1.00 0.00 C ATOM 249 CD LYS A 16 13.470 4.573 -7.922 1.00 0.00 C ATOM 250 CE LYS A 16 14.281 4.957 -9.150 1.00 0.00 C ATOM 251 NZ LYS A 16 13.941 6.324 -9.633 1.00 0.00 N ATOM 0 H LYS A 16 15.146 4.969 -4.003 1.00 0.00 H new ATOM 0 HA LYS A 16 13.954 7.123 -5.017 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.039 4.234 -4.994 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.185 5.448 -5.925 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.672 5.962 -6.813 1.00 0.00 H new ATOM 0 HG3 LYS A 16 14.908 4.286 -6.355 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.328 3.493 -7.902 1.00 0.00 H new ATOM 0 HD3 LYS A 16 12.480 5.024 -7.983 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.344 4.909 -8.913 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.099 4.235 -9.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 14.515 6.549 -10.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.932 6.363 -9.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 14.138 7.016 -8.883 1.00 0.00 H new ATOM 265 N GLY A 17 12.104 6.007 -2.565 1.00 0.00 N ATOM 266 CA GLY A 17 10.971 6.340 -1.721 1.00 0.00 C ATOM 267 C GLY A 17 9.869 5.302 -1.794 1.00 0.00 C ATOM 268 O GLY A 17 8.725 5.575 -1.434 1.00 0.00 O ATOM 0 H GLY A 17 12.673 5.229 -2.232 1.00 0.00 H new ATOM 0 HA2 GLY A 17 11.307 6.437 -0.689 1.00 0.00 H new ATOM 0 HA3 GLY A 17 10.573 7.310 -2.019 1.00 0.00 H new ATOM 272 N GLY A 18 10.213 4.107 -2.265 1.00 0.00 N ATOM 273 CA GLY A 18 9.232 3.043 -2.378 1.00 0.00 C ATOM 274 C GLY A 18 9.051 2.281 -1.081 1.00 0.00 C ATOM 275 O GLY A 18 9.977 2.183 -0.275 1.00 0.00 O ATOM 0 H GLY A 18 11.154 3.857 -2.570 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.275 3.466 -2.684 1.00 0.00 H new ATOM 0 HA3 GLY A 18 9.540 2.351 -3.162 1.00 0.00 H new ATOM 279 N LEU A 19 7.855 1.740 -0.877 1.00 0.00 N ATOM 280 CA LEU A 19 7.554 0.983 0.334 1.00 0.00 C ATOM 281 C LEU A 19 7.083 -0.426 -0.009 1.00 0.00 C ATOM 282 O LEU A 19 6.122 -0.605 -0.757 1.00 0.00 O ATOM 283 CB LEU A 19 6.487 1.705 1.158 1.00 0.00 C ATOM 284 CG LEU A 19 6.959 2.927 1.946 1.00 0.00 C ATOM 285 CD1 LEU A 19 5.772 3.768 2.388 1.00 0.00 C ATOM 286 CD2 LEU A 19 7.789 2.499 3.147 1.00 0.00 C ATOM 0 H LEU A 19 7.078 1.811 -1.534 1.00 0.00 H new ATOM 0 HA LEU A 19 8.468 0.907 0.923 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.688 2.018 0.486 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.053 0.991 1.859 1.00 0.00 H new ATOM 0 HG LEU A 19 7.586 3.535 1.295 1.00 0.00 H new ATOM 0 HD11 LEU A 19 6.127 4.633 2.947 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.218 4.105 1.512 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.118 3.169 3.022 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.116 3.382 3.696 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.186 1.868 3.800 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.660 1.940 2.806 1.00 0.00 H new ATOM 298 N ARG A 20 7.763 -1.424 0.546 1.00 0.00 N ATOM 299 CA ARG A 20 7.413 -2.817 0.301 1.00 0.00 C ATOM 300 C ARG A 20 6.074 -3.163 0.945 1.00 0.00 C ATOM 301 O ARG A 20 5.988 -3.354 2.158 1.00 0.00 O ATOM 302 CB ARG A 20 8.505 -3.743 0.841 1.00 0.00 C ATOM 303 CG ARG A 20 9.701 -3.880 -0.087 1.00 0.00 C ATOM 304 CD ARG A 20 10.935 -4.361 0.662 1.00 0.00 C ATOM 305 NE ARG A 20 10.693 -5.617 1.365 1.00 0.00 N ATOM 306 CZ ARG A 20 11.657 -6.357 1.901 1.00 0.00 C ATOM 307 NH1 ARG A 20 12.921 -5.967 1.815 1.00 0.00 N ATOM 308 NH2 ARG A 20 11.357 -7.489 2.525 1.00 0.00 N ATOM 0 H ARG A 20 8.560 -1.293 1.169 1.00 0.00 H new ATOM 0 HA ARG A 20 7.326 -2.959 -0.776 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.845 -3.366 1.805 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.078 -4.730 1.018 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.464 -4.581 -0.887 1.00 0.00 H new ATOM 0 HG3 ARG A 20 9.911 -2.919 -0.557 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.758 -4.492 -0.041 1.00 0.00 H new ATOM 0 HD3 ARG A 20 11.245 -3.599 1.377 1.00 0.00 H new ATOM 0 HE ARG A 20 9.731 -5.944 1.449 1.00 0.00 H new ATOM 0 HH11 ARG A 20 13.155 -5.097 1.337 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.660 -6.537 2.227 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.385 -7.792 2.593 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.098 -8.057 2.936 1.00 0.00 H new ATOM 322 N PHE A 21 5.031 -3.241 0.125 1.00 0.00 N ATOM 323 CA PHE A 21 3.696 -3.563 0.615 1.00 0.00 C ATOM 324 C PHE A 21 3.357 -5.026 0.349 1.00 0.00 C ATOM 325 O PHE A 21 3.519 -5.519 -0.767 1.00 0.00 O ATOM 326 CB PHE A 21 2.655 -2.658 -0.048 1.00 0.00 C ATOM 327 CG PHE A 21 1.257 -3.202 0.020 1.00 0.00 C ATOM 328 CD1 PHE A 21 0.514 -3.096 1.184 1.00 0.00 C ATOM 329 CD2 PHE A 21 0.686 -3.821 -1.081 1.00 0.00 C ATOM 330 CE1 PHE A 21 -0.773 -3.596 1.250 1.00 0.00 C ATOM 331 CE2 PHE A 21 -0.601 -4.322 -1.021 1.00 0.00 C ATOM 332 CZ PHE A 21 -1.331 -4.210 0.146 1.00 0.00 C ATOM 0 H PHE A 21 5.085 -3.086 -0.882 1.00 0.00 H new ATOM 0 HA PHE A 21 3.681 -3.395 1.692 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.679 -1.679 0.431 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.928 -2.509 -1.093 1.00 0.00 H new ATOM 0 HD1 PHE A 21 0.945 -2.617 2.051 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.253 -3.913 -1.996 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.342 -3.507 2.164 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.035 -4.801 -1.886 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.336 -4.602 0.195 1.00 0.00 H new ATOM 342 N ARG A 22 2.885 -5.715 1.383 1.00 0.00 N ATOM 343 CA ARG A 22 2.525 -7.123 1.263 1.00 0.00 C ATOM 344 C ARG A 22 1.011 -7.304 1.330 1.00 0.00 C ATOM 345 O ARG A 22 0.430 -7.364 2.413 1.00 0.00 O ATOM 346 CB ARG A 22 3.196 -7.939 2.369 1.00 0.00 C ATOM 347 CG ARG A 22 3.404 -9.401 2.006 1.00 0.00 C ATOM 348 CD ARG A 22 4.250 -10.118 3.046 1.00 0.00 C ATOM 349 NE ARG A 22 4.722 -11.415 2.568 1.00 0.00 N ATOM 350 CZ ARG A 22 5.438 -12.255 3.308 1.00 0.00 C ATOM 351 NH1 ARG A 22 5.761 -11.936 4.553 1.00 0.00 N ATOM 352 NH2 ARG A 22 5.831 -13.416 2.801 1.00 0.00 N ATOM 0 H ARG A 22 2.743 -5.321 2.313 1.00 0.00 H new ATOM 0 HA ARG A 22 2.874 -7.480 0.294 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.161 -7.491 2.605 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.588 -7.880 3.272 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.437 -9.896 1.918 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.888 -9.470 1.032 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.105 -9.496 3.309 1.00 0.00 H new ATOM 0 HD3 ARG A 22 3.665 -10.258 3.955 1.00 0.00 H new ATOM 0 HE ARG A 22 4.489 -11.691 1.614 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.460 -11.044 4.945 1.00 0.00 H new ATOM 0 HH12 ARG A 22 6.311 -12.583 5.119 1.00 0.00 H new ATOM 0 HH21 ARG A 22 5.584 -13.664 1.843 1.00 0.00 H new ATOM 0 HH22 ARG A 22 6.381 -14.061 3.369 1.00 0.00 H new ATOM 366 N GLY A 23 0.378 -7.390 0.164 1.00 0.00 N ATOM 367 CA GLY A 23 -1.062 -7.562 0.113 1.00 0.00 C ATOM 368 C GLY A 23 -1.496 -8.481 -1.013 1.00 0.00 C ATOM 369 O GLY A 23 -0.695 -8.834 -1.877 1.00 0.00 O ATOM 0 H GLY A 23 0.837 -7.344 -0.746 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.411 -7.967 1.063 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.537 -6.589 -0.012 1.00 0.00 H new ATOM 373 N GLU A 24 -2.767 -8.868 -1.001 1.00 0.00 N ATOM 374 CA GLU A 24 -3.305 -9.754 -2.027 1.00 0.00 C ATOM 375 C GLU A 24 -3.054 -9.186 -3.421 1.00 0.00 C ATOM 376 O GLU A 24 -2.783 -7.997 -3.596 1.00 0.00 O ATOM 377 CB GLU A 24 -4.805 -9.967 -1.814 1.00 0.00 C ATOM 378 CG GLU A 24 -5.496 -8.796 -1.135 1.00 0.00 C ATOM 379 CD GLU A 24 -5.530 -8.935 0.374 1.00 0.00 C ATOM 380 OE1 GLU A 24 -4.573 -8.480 1.035 1.00 0.00 O ATOM 381 OE2 GLU A 24 -6.516 -9.498 0.895 1.00 0.00 O ATOM 0 H GLU A 24 -3.443 -8.582 -0.293 1.00 0.00 H new ATOM 0 HA GLU A 24 -2.795 -10.714 -1.946 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.278 -10.147 -2.779 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.954 -10.864 -1.213 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.982 -7.872 -1.400 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.515 -8.712 -1.512 1.00 0.00 H new ATOM 388 N PRO A 25 -3.145 -10.055 -4.439 1.00 0.00 N ATOM 389 CA PRO A 25 -2.931 -9.663 -5.836 1.00 0.00 C ATOM 390 C PRO A 25 -4.050 -8.774 -6.366 1.00 0.00 C ATOM 391 O PRO A 25 -3.895 -8.108 -7.390 1.00 0.00 O ATOM 392 CB PRO A 25 -2.913 -11.001 -6.580 1.00 0.00 C ATOM 393 CG PRO A 25 -3.710 -11.922 -5.723 1.00 0.00 C ATOM 394 CD PRO A 25 -3.464 -11.486 -4.305 1.00 0.00 C ATOM 0 HA PRO A 25 -2.020 -9.078 -5.961 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -3.351 -10.907 -7.574 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -1.895 -11.366 -6.713 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.770 -11.865 -5.970 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.403 -12.957 -5.872 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.341 -11.645 -3.678 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -2.642 -12.040 -3.851 1.00 0.00 H new ATOM 402 N VAL A 26 -5.178 -8.767 -5.663 1.00 0.00 N ATOM 403 CA VAL A 26 -6.324 -7.958 -6.063 1.00 0.00 C ATOM 404 C VAL A 26 -6.012 -6.470 -5.948 1.00 0.00 C ATOM 405 O VAL A 26 -6.681 -5.636 -6.557 1.00 0.00 O ATOM 406 CB VAL A 26 -7.564 -8.279 -5.208 1.00 0.00 C ATOM 407 CG1 VAL A 26 -7.343 -7.851 -3.765 1.00 0.00 C ATOM 408 CG2 VAL A 26 -8.799 -7.608 -5.788 1.00 0.00 C ATOM 0 H VAL A 26 -5.323 -9.312 -4.813 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.537 -8.203 -7.104 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.724 -9.357 -5.222 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.230 -8.086 -3.176 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.484 -8.382 -3.355 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.157 -6.778 -3.728 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.666 -7.846 -5.171 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.652 -6.528 -5.806 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.966 -7.969 -6.803 1.00 0.00 H new ATOM 418 N VAL A 27 -4.990 -6.144 -5.163 1.00 0.00 N ATOM 419 CA VAL A 27 -4.587 -4.756 -4.969 1.00 0.00 C ATOM 420 C VAL A 27 -4.173 -4.115 -6.288 1.00 0.00 C ATOM 421 O VAL A 27 -4.157 -2.890 -6.418 1.00 0.00 O ATOM 422 CB VAL A 27 -3.422 -4.644 -3.968 1.00 0.00 C ATOM 423 CG1 VAL A 27 -2.155 -5.249 -4.554 1.00 0.00 C ATOM 424 CG2 VAL A 27 -3.197 -3.193 -3.573 1.00 0.00 C ATOM 0 H VAL A 27 -4.426 -6.822 -4.651 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.452 -4.228 -4.568 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.682 -5.204 -3.070 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.342 -5.161 -3.833 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.326 -6.301 -4.781 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.888 -4.719 -5.468 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.370 -3.133 -2.865 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.958 -2.607 -4.461 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.101 -2.798 -3.110 1.00 0.00 H new ATOM 434 N LEU A 28 -3.839 -4.949 -7.266 1.00 0.00 N ATOM 435 CA LEU A 28 -3.425 -4.464 -8.578 1.00 0.00 C ATOM 436 C LEU A 28 -4.573 -3.749 -9.282 1.00 0.00 C ATOM 437 O LEU A 28 -4.398 -3.183 -10.361 1.00 0.00 O ATOM 438 CB LEU A 28 -2.928 -5.626 -9.440 1.00 0.00 C ATOM 439 CG LEU A 28 -1.751 -6.424 -8.877 1.00 0.00 C ATOM 440 CD1 LEU A 28 -1.189 -7.363 -9.933 1.00 0.00 C ATOM 441 CD2 LEU A 28 -0.668 -5.487 -8.362 1.00 0.00 C ATOM 0 H LEU A 28 -3.847 -5.965 -7.175 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.612 -3.752 -8.434 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.760 -6.311 -9.605 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.641 -5.232 -10.415 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.111 -7.024 -8.041 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.352 -7.922 -9.514 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.966 -8.057 -10.253 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.845 -6.783 -10.790 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.161 -6.073 -7.965 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.311 -4.860 -9.179 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.077 -4.857 -7.573 1.00 0.00 H new ATOM 453 N HIS A 29 -5.749 -3.776 -8.662 1.00 0.00 N ATOM 454 CA HIS A 29 -6.927 -3.128 -9.228 1.00 0.00 C ATOM 455 C HIS A 29 -7.289 -1.874 -8.438 1.00 0.00 C ATOM 456 O HIS A 29 -8.145 -1.091 -8.854 1.00 0.00 O ATOM 457 CB HIS A 29 -8.111 -4.096 -9.242 1.00 0.00 C ATOM 458 CG HIS A 29 -7.927 -5.253 -10.176 1.00 0.00 C ATOM 459 ND1 HIS A 29 -8.843 -5.584 -11.153 1.00 0.00 N ATOM 460 CD2 HIS A 29 -6.926 -6.157 -10.279 1.00 0.00 C ATOM 461 CE1 HIS A 29 -8.413 -6.643 -11.815 1.00 0.00 C ATOM 462 NE2 HIS A 29 -7.251 -7.010 -11.305 1.00 0.00 N ATOM 0 H HIS A 29 -5.911 -4.239 -7.768 1.00 0.00 H new ATOM 0 HA HIS A 29 -6.694 -2.837 -10.252 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.271 -4.476 -8.233 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -9.012 -3.551 -9.524 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -6.037 -6.200 -9.668 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -8.924 -7.127 -12.634 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -6.687 -7.799 -11.622 1.00 0.00 H new ATOM 470 N LEU A 30 -6.634 -1.690 -7.297 1.00 0.00 N ATOM 471 CA LEU A 30 -6.888 -0.531 -6.448 1.00 0.00 C ATOM 472 C LEU A 30 -6.210 0.714 -7.010 1.00 0.00 C ATOM 473 O LEU A 30 -5.434 0.634 -7.961 1.00 0.00 O ATOM 474 CB LEU A 30 -6.391 -0.798 -5.026 1.00 0.00 C ATOM 475 CG LEU A 30 -7.240 -1.754 -4.187 1.00 0.00 C ATOM 476 CD1 LEU A 30 -6.491 -2.171 -2.931 1.00 0.00 C ATOM 477 CD2 LEU A 30 -8.571 -1.111 -3.828 1.00 0.00 C ATOM 0 H LEU A 30 -5.923 -2.328 -6.938 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.964 -0.357 -6.424 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.379 -1.199 -5.085 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.326 0.155 -4.500 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.439 -2.647 -4.779 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.111 -2.851 -2.347 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.565 -2.673 -3.210 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.260 -1.288 -2.335 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.162 -1.806 -3.231 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.393 -0.201 -3.255 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.114 -0.865 -4.740 1.00 0.00 H new ATOM 489 N GLU A 31 -6.509 1.864 -6.413 1.00 0.00 N ATOM 490 CA GLU A 31 -5.927 3.126 -6.854 1.00 0.00 C ATOM 491 C GLU A 31 -5.399 3.927 -5.667 1.00 0.00 C ATOM 492 O GLU A 31 -4.377 4.606 -5.767 1.00 0.00 O ATOM 493 CB GLU A 31 -6.963 3.952 -7.619 1.00 0.00 C ATOM 494 CG GLU A 31 -7.218 3.451 -9.031 1.00 0.00 C ATOM 495 CD GLU A 31 -8.281 2.370 -9.083 1.00 0.00 C ATOM 496 OE1 GLU A 31 -8.430 1.636 -8.084 1.00 0.00 O ATOM 497 OE2 GLU A 31 -8.963 2.258 -10.123 1.00 0.00 O ATOM 0 H GLU A 31 -7.150 1.947 -5.624 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.092 2.898 -7.517 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.902 3.945 -7.065 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.627 4.988 -7.665 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.524 4.287 -9.660 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.289 3.062 -9.448 1.00 0.00 H new ATOM 504 N ARG A 32 -6.104 3.841 -4.543 1.00 0.00 N ATOM 505 CA ARG A 32 -5.709 4.558 -3.337 1.00 0.00 C ATOM 506 C ARG A 32 -5.557 3.599 -2.160 1.00 0.00 C ATOM 507 O ARG A 32 -5.933 2.430 -2.245 1.00 0.00 O ATOM 508 CB ARG A 32 -6.738 5.638 -2.999 1.00 0.00 C ATOM 509 CG ARG A 32 -7.973 5.103 -2.294 1.00 0.00 C ATOM 510 CD ARG A 32 -8.868 6.230 -1.804 1.00 0.00 C ATOM 511 NE ARG A 32 -9.529 6.923 -2.907 1.00 0.00 N ATOM 512 CZ ARG A 32 -10.013 8.157 -2.816 1.00 0.00 C ATOM 513 NH1 ARG A 32 -9.909 8.830 -1.679 1.00 0.00 N ATOM 514 NH2 ARG A 32 -10.600 8.719 -3.864 1.00 0.00 N ATOM 0 H ARG A 32 -6.951 3.282 -4.443 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.745 5.031 -3.525 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.267 6.391 -2.367 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -7.043 6.138 -3.918 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.533 4.462 -2.975 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.671 4.483 -1.449 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.621 5.827 -1.126 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.273 6.943 -1.232 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.624 6.432 -3.796 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.457 8.401 -0.872 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.281 9.777 -1.611 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.680 8.204 -4.741 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -10.971 9.666 -3.793 1.00 0.00 H new ATOM 528 N VAL A 33 -5.003 4.102 -1.061 1.00 0.00 N ATOM 529 CA VAL A 33 -4.801 3.291 0.134 1.00 0.00 C ATOM 530 C VAL A 33 -4.914 4.137 1.397 1.00 0.00 C ATOM 531 O VAL A 33 -4.966 5.365 1.332 1.00 0.00 O ATOM 532 CB VAL A 33 -3.427 2.596 0.115 1.00 0.00 C ATOM 533 CG1 VAL A 33 -3.395 1.503 -0.942 1.00 0.00 C ATOM 534 CG2 VAL A 33 -2.320 3.612 -0.123 1.00 0.00 C ATOM 0 H VAL A 33 -4.686 5.068 -0.974 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.583 2.532 0.138 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.261 2.132 1.087 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.416 1.024 -0.940 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.163 0.761 -0.722 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.583 1.940 -1.923 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.356 3.104 -0.133 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.480 4.107 -1.081 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.330 4.355 0.675 1.00 0.00 H new ATOM 544 N TYR A 34 -4.950 3.471 2.546 1.00 0.00 N ATOM 545 CA TYR A 34 -5.059 4.161 3.826 1.00 0.00 C ATOM 546 C TYR A 34 -3.966 3.703 4.787 1.00 0.00 C ATOM 547 O TYR A 34 -3.877 2.523 5.127 1.00 0.00 O ATOM 548 CB TYR A 34 -6.435 3.915 4.447 1.00 0.00 C ATOM 549 CG TYR A 34 -6.563 4.436 5.860 1.00 0.00 C ATOM 550 CD1 TYR A 34 -5.829 5.536 6.286 1.00 0.00 C ATOM 551 CD2 TYR A 34 -7.420 3.829 6.770 1.00 0.00 C ATOM 552 CE1 TYR A 34 -5.943 6.015 7.577 1.00 0.00 C ATOM 553 CE2 TYR A 34 -7.541 4.301 8.063 1.00 0.00 C ATOM 554 CZ TYR A 34 -6.800 5.394 8.461 1.00 0.00 C ATOM 555 OH TYR A 34 -6.918 5.869 9.748 1.00 0.00 O ATOM 0 H TYR A 34 -4.905 2.454 2.617 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.935 5.229 3.645 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.195 4.387 3.824 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.640 2.844 4.443 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.158 6.025 5.596 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -8.002 2.973 6.461 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.364 6.871 7.892 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.212 3.817 8.758 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.563 5.321 10.241 1.00 0.00 H new ATOM 565 N VAL A 35 -3.135 4.645 5.220 1.00 0.00 N ATOM 566 CA VAL A 35 -2.048 4.340 6.143 1.00 0.00 C ATOM 567 C VAL A 35 -2.527 4.382 7.590 1.00 0.00 C ATOM 568 O VAL A 35 -2.578 5.446 8.206 1.00 0.00 O ATOM 569 CB VAL A 35 -0.875 5.324 5.974 1.00 0.00 C ATOM 570 CG1 VAL A 35 0.283 4.936 6.880 1.00 0.00 C ATOM 571 CG2 VAL A 35 -0.431 5.378 4.520 1.00 0.00 C ATOM 0 H VAL A 35 -3.193 5.626 4.947 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.705 3.333 5.906 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.213 6.319 6.264 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.102 5.643 6.746 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.046 4.954 7.919 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.624 3.933 6.625 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.398 6.078 4.419 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.110 4.386 4.200 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.263 5.708 3.898 1.00 0.00 H new ATOM 581 N GLU A 36 -2.876 3.217 8.126 1.00 0.00 N ATOM 582 CA GLU A 36 -3.352 3.121 9.501 1.00 0.00 C ATOM 583 C GLU A 36 -2.299 3.636 10.478 1.00 0.00 C ATOM 584 O GLU A 36 -1.353 2.927 10.819 1.00 0.00 O ATOM 585 CB GLU A 36 -3.713 1.673 9.840 1.00 0.00 C ATOM 586 CG GLU A 36 -4.065 1.460 11.302 1.00 0.00 C ATOM 587 CD GLU A 36 -5.544 1.646 11.579 1.00 0.00 C ATOM 588 OE1 GLU A 36 -6.203 2.385 10.818 1.00 0.00 O ATOM 589 OE2 GLU A 36 -6.043 1.051 12.557 1.00 0.00 O ATOM 0 H GLU A 36 -2.838 2.327 7.629 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.244 3.741 9.594 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.557 1.364 9.223 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.874 1.028 9.579 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.767 0.455 11.601 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.494 2.158 11.915 1.00 0.00 H new ATOM 596 N GLY A 37 -2.471 4.877 10.924 1.00 0.00 N ATOM 597 CA GLY A 37 -1.528 5.467 11.856 1.00 0.00 C ATOM 598 C GLY A 37 -1.315 6.947 11.607 1.00 0.00 C ATOM 599 O GLY A 37 -1.252 7.740 12.547 1.00 0.00 O ATOM 0 H GLY A 37 -3.246 5.484 10.657 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.889 5.321 12.874 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.573 4.948 11.779 1.00 0.00 H new ATOM 603 N HIS A 38 -1.203 7.321 10.336 1.00 0.00 N ATOM 604 CA HIS A 38 -0.994 8.717 9.966 1.00 0.00 C ATOM 605 C HIS A 38 -2.201 9.264 9.209 1.00 0.00 C ATOM 606 O HIS A 38 -3.030 9.975 9.775 1.00 0.00 O ATOM 607 CB HIS A 38 0.265 8.856 9.110 1.00 0.00 C ATOM 608 CG HIS A 38 1.531 8.562 9.855 1.00 0.00 C ATOM 609 ND1 HIS A 38 2.761 9.056 9.473 1.00 0.00 N ATOM 610 CD2 HIS A 38 1.753 7.821 10.965 1.00 0.00 C ATOM 611 CE1 HIS A 38 3.684 8.630 10.316 1.00 0.00 C ATOM 612 NE2 HIS A 38 3.099 7.879 11.231 1.00 0.00 N ATOM 0 H HIS A 38 -1.253 6.678 9.546 1.00 0.00 H new ATOM 0 HA HIS A 38 -0.868 9.296 10.881 1.00 0.00 H new ATOM 0 HB2 HIS A 38 0.190 8.182 8.257 1.00 0.00 H new ATOM 0 HB3 HIS A 38 0.314 9.870 8.712 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.010 7.284 11.536 1.00 0.00 H new ATOM 0 HE1 HIS A 38 4.739 8.857 10.266 1.00 0.00 H new ATOM 0 HE2 HIS A 38 3.570 7.417 12.009 1.00 0.00 H new ATOM 620 N GLY A 39 -2.291 8.928 7.926 1.00 0.00 N ATOM 621 CA GLY A 39 -3.399 9.395 7.113 1.00 0.00 C ATOM 622 C GLY A 39 -3.578 8.575 5.851 1.00 0.00 C ATOM 623 O GLY A 39 -2.836 7.623 5.611 1.00 0.00 O ATOM 0 H GLY A 39 -1.617 8.341 7.435 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.317 9.358 7.700 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.234 10.438 6.844 1.00 0.00 H new ATOM 627 N TRP A 40 -4.566 8.944 5.043 1.00 0.00 N ATOM 628 CA TRP A 40 -4.841 8.234 3.799 1.00 0.00 C ATOM 629 C TRP A 40 -3.814 8.590 2.730 1.00 0.00 C ATOM 630 O TRP A 40 -3.452 9.755 2.569 1.00 0.00 O ATOM 631 CB TRP A 40 -6.250 8.563 3.301 1.00 0.00 C ATOM 632 CG TRP A 40 -7.310 7.687 3.896 1.00 0.00 C ATOM 633 CD1 TRP A 40 -7.836 7.775 5.153 1.00 0.00 C ATOM 634 CD2 TRP A 40 -7.972 6.589 3.258 1.00 0.00 C ATOM 635 NE1 TRP A 40 -8.785 6.798 5.336 1.00 0.00 N ATOM 636 CE2 TRP A 40 -8.887 6.058 4.188 1.00 0.00 C ATOM 637 CE3 TRP A 40 -7.881 6.004 1.993 1.00 0.00 C ATOM 638 CZ2 TRP A 40 -9.704 4.970 3.889 1.00 0.00 C ATOM 639 CZ3 TRP A 40 -8.692 4.924 1.698 1.00 0.00 C ATOM 640 CH2 TRP A 40 -9.594 4.417 2.643 1.00 0.00 C ATOM 0 H TRP A 40 -5.189 9.730 5.227 1.00 0.00 H new ATOM 0 HA TRP A 40 -4.774 7.164 3.998 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -6.476 9.604 3.534 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -6.276 8.466 2.216 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -7.548 8.505 5.895 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -9.325 6.648 6.188 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -7.189 6.389 1.258 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -10.400 4.577 4.616 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -8.629 4.463 0.723 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -10.215 3.573 2.382 1.00 0.00 H new ATOM 651 N ARG A 41 -3.349 7.580 2.003 1.00 0.00 N ATOM 652 CA ARG A 41 -2.363 7.787 0.949 1.00 0.00 C ATOM 653 C ARG A 41 -2.888 7.288 -0.393 1.00 0.00 C ATOM 654 O ARG A 41 -3.800 6.463 -0.446 1.00 0.00 O ATOM 655 CB ARG A 41 -1.056 7.071 1.297 1.00 0.00 C ATOM 656 CG ARG A 41 -0.187 7.834 2.283 1.00 0.00 C ATOM 657 CD ARG A 41 0.382 9.100 1.661 1.00 0.00 C ATOM 658 NE ARG A 41 1.212 9.847 2.603 1.00 0.00 N ATOM 659 CZ ARG A 41 1.658 11.076 2.374 1.00 0.00 C ATOM 660 NH1 ARG A 41 1.357 11.694 1.240 1.00 0.00 N ATOM 661 NH2 ARG A 41 2.409 11.691 3.279 1.00 0.00 N ATOM 0 H ARG A 41 -3.639 6.610 2.124 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.173 8.857 0.869 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.288 6.091 1.713 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -0.489 6.902 0.381 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.775 8.093 3.164 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.629 7.195 2.621 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.974 8.839 0.784 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.435 9.734 1.316 1.00 0.00 H new ATOM 0 HE ARG A 41 1.462 9.400 3.485 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.781 11.225 0.541 1.00 0.00 H new ATOM 0 HH12 ARG A 41 1.701 12.638 1.067 1.00 0.00 H new ATOM 0 HH21 ARG A 41 2.644 11.219 4.152 1.00 0.00 H new ATOM 0 HH22 ARG A 41 2.751 12.635 3.101 1.00 0.00 H new ATOM 675 N ALA A 42 -2.306 7.794 -1.476 1.00 0.00 N ATOM 676 CA ALA A 42 -2.714 7.398 -2.818 1.00 0.00 C ATOM 677 C ALA A 42 -1.608 6.617 -3.520 1.00 0.00 C ATOM 678 O ALA A 42 -0.426 6.935 -3.381 1.00 0.00 O ATOM 679 CB ALA A 42 -3.099 8.622 -3.635 1.00 0.00 C ATOM 0 H ALA A 42 -1.551 8.479 -1.450 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.583 6.746 -2.729 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.402 8.311 -4.635 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.927 9.138 -3.149 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.245 9.295 -3.707 1.00 0.00 H new ATOM 685 N ILE A 43 -1.998 5.595 -4.274 1.00 0.00 N ATOM 686 CA ILE A 43 -1.039 4.770 -4.997 1.00 0.00 C ATOM 687 C ILE A 43 -0.682 5.393 -6.342 1.00 0.00 C ATOM 688 O ILE A 43 -1.562 5.770 -7.115 1.00 0.00 O ATOM 689 CB ILE A 43 -1.583 3.348 -5.232 1.00 0.00 C ATOM 690 CG1 ILE A 43 -1.836 2.649 -3.894 1.00 0.00 C ATOM 691 CG2 ILE A 43 -0.612 2.543 -6.081 1.00 0.00 C ATOM 692 CD1 ILE A 43 -2.317 1.222 -4.040 1.00 0.00 C ATOM 0 H ILE A 43 -2.972 5.319 -4.400 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.144 4.710 -4.377 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.529 3.420 -5.768 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.916 2.656 -3.310 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -2.576 3.217 -3.330 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.011 1.541 -6.238 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.477 3.035 -7.044 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.348 2.475 -5.570 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.476 0.789 -3.052 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.254 1.209 -4.597 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.568 0.639 -4.576 1.00 0.00 H new ATOM 704 N GLU A 44 0.615 5.497 -6.615 1.00 0.00 N ATOM 705 CA GLU A 44 1.088 6.074 -7.868 1.00 0.00 C ATOM 706 C GLU A 44 1.662 4.995 -8.781 1.00 0.00 C ATOM 707 O GLU A 44 1.345 4.940 -9.970 1.00 0.00 O ATOM 708 CB GLU A 44 2.147 7.144 -7.595 1.00 0.00 C ATOM 709 CG GLU A 44 1.619 8.340 -6.821 1.00 0.00 C ATOM 710 CD GLU A 44 1.079 9.429 -7.727 1.00 0.00 C ATOM 711 OE1 GLU A 44 0.125 9.153 -8.484 1.00 0.00 O ATOM 712 OE2 GLU A 44 1.612 10.558 -7.679 1.00 0.00 O ATOM 0 H GLU A 44 1.356 5.189 -5.986 1.00 0.00 H new ATOM 0 HA GLU A 44 0.238 6.535 -8.370 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.969 6.695 -7.037 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.556 7.489 -8.545 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.830 8.011 -6.145 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.418 8.750 -6.203 1.00 0.00 H new ATOM 719 N ASP A 45 2.509 4.141 -8.218 1.00 0.00 N ATOM 720 CA ASP A 45 3.128 3.063 -8.980 1.00 0.00 C ATOM 721 C ASP A 45 3.530 1.911 -8.064 1.00 0.00 C ATOM 722 O ASP A 45 4.053 2.127 -6.970 1.00 0.00 O ATOM 723 CB ASP A 45 4.352 3.581 -9.735 1.00 0.00 C ATOM 724 CG ASP A 45 3.978 4.357 -10.983 1.00 0.00 C ATOM 725 OD1 ASP A 45 3.411 3.746 -11.914 1.00 0.00 O ATOM 726 OD2 ASP A 45 4.250 5.574 -11.029 1.00 0.00 O ATOM 0 H ASP A 45 2.783 4.174 -7.236 1.00 0.00 H new ATOM 0 HA ASP A 45 2.397 2.694 -9.699 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.938 4.221 -9.075 1.00 0.00 H new ATOM 0 HB3 ASP A 45 4.988 2.740 -10.011 1.00 0.00 H new ATOM 731 N LEU A 46 3.281 0.687 -8.517 1.00 0.00 N ATOM 732 CA LEU A 46 3.616 -0.500 -7.739 1.00 0.00 C ATOM 733 C LEU A 46 3.846 -1.702 -8.649 1.00 0.00 C ATOM 734 O LEU A 46 3.455 -1.693 -9.817 1.00 0.00 O ATOM 735 CB LEU A 46 2.500 -0.810 -6.739 1.00 0.00 C ATOM 736 CG LEU A 46 1.278 -1.536 -7.301 1.00 0.00 C ATOM 737 CD1 LEU A 46 1.556 -3.025 -7.433 1.00 0.00 C ATOM 738 CD2 LEU A 46 0.062 -1.295 -6.418 1.00 0.00 C ATOM 0 H LEU A 46 2.848 0.491 -9.420 1.00 0.00 H new ATOM 0 HA LEU A 46 4.539 -0.298 -7.195 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.918 -1.414 -5.934 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.168 0.128 -6.294 1.00 0.00 H new ATOM 0 HG LEU A 46 1.067 -1.137 -8.293 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.675 -3.525 -7.835 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.399 -3.179 -8.106 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.793 -3.439 -6.453 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.799 -1.819 -6.833 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.263 -1.666 -5.413 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.150 -0.227 -6.375 1.00 0.00 H new ATOM 750 N TYR A 47 4.481 -2.735 -8.107 1.00 0.00 N ATOM 751 CA TYR A 47 4.763 -3.945 -8.871 1.00 0.00 C ATOM 752 C TYR A 47 5.233 -5.070 -7.954 1.00 0.00 C ATOM 753 O TYR A 47 5.966 -4.838 -6.993 1.00 0.00 O ATOM 754 CB TYR A 47 5.823 -3.664 -9.937 1.00 0.00 C ATOM 755 CG TYR A 47 6.878 -2.674 -9.497 1.00 0.00 C ATOM 756 CD1 TYR A 47 7.832 -3.022 -8.548 1.00 0.00 C ATOM 757 CD2 TYR A 47 6.922 -1.392 -10.030 1.00 0.00 C ATOM 758 CE1 TYR A 47 8.797 -2.120 -8.142 1.00 0.00 C ATOM 759 CE2 TYR A 47 7.884 -0.485 -9.631 1.00 0.00 C ATOM 760 CZ TYR A 47 8.819 -0.853 -8.687 1.00 0.00 C ATOM 761 OH TYR A 47 9.779 0.047 -8.286 1.00 0.00 O ATOM 0 H TYR A 47 4.810 -2.759 -7.142 1.00 0.00 H new ATOM 0 HA TYR A 47 3.841 -4.260 -9.359 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.308 -4.601 -10.211 1.00 0.00 H new ATOM 0 HB3 TYR A 47 5.333 -3.285 -10.834 1.00 0.00 H new ATOM 0 HD1 TYR A 47 7.819 -4.014 -8.121 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.191 -1.099 -10.769 1.00 0.00 H new ATOM 0 HE1 TYR A 47 9.530 -2.406 -7.402 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.904 0.508 -10.056 1.00 0.00 H new ATOM 0 HH TYR A 47 9.413 0.625 -7.584 1.00 0.00 H new ATOM 771 N ARG A 48 4.806 -6.291 -8.260 1.00 0.00 N ATOM 772 CA ARG A 48 5.181 -7.454 -7.465 1.00 0.00 C ATOM 773 C ARG A 48 6.599 -7.908 -7.802 1.00 0.00 C ATOM 774 O ARG A 48 6.821 -8.594 -8.799 1.00 0.00 O ATOM 775 CB ARG A 48 4.197 -8.600 -7.702 1.00 0.00 C ATOM 776 CG ARG A 48 3.785 -8.758 -9.157 1.00 0.00 C ATOM 777 CD ARG A 48 3.131 -10.107 -9.408 1.00 0.00 C ATOM 778 NE ARG A 48 2.308 -10.101 -10.614 1.00 0.00 N ATOM 779 CZ ARG A 48 2.807 -10.102 -11.845 1.00 0.00 C ATOM 780 NH1 ARG A 48 4.120 -10.109 -12.031 1.00 0.00 N ATOM 781 NH2 ARG A 48 1.993 -10.096 -12.893 1.00 0.00 N ATOM 0 H ARG A 48 4.200 -6.500 -9.053 1.00 0.00 H new ATOM 0 HA ARG A 48 5.149 -7.170 -6.413 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.647 -9.531 -7.357 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.306 -8.434 -7.097 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.093 -7.961 -9.429 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.661 -8.652 -9.798 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.902 -10.872 -9.499 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.515 -10.376 -8.550 1.00 0.00 H new ATOM 0 HE ARG A 48 1.294 -10.096 -10.505 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.749 -10.114 -11.228 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.501 -10.110 -12.977 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.983 -10.091 -12.754 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.378 -10.097 -13.838 1.00 0.00 H new ATOM 795 N VAL A 49 7.554 -7.519 -6.963 1.00 0.00 N ATOM 796 CA VAL A 49 8.950 -7.886 -7.171 1.00 0.00 C ATOM 797 C VAL A 49 9.233 -9.289 -6.646 1.00 0.00 C ATOM 798 O VAL A 49 9.288 -9.511 -5.437 1.00 0.00 O ATOM 799 CB VAL A 49 9.901 -6.890 -6.482 1.00 0.00 C ATOM 800 CG1 VAL A 49 11.344 -7.354 -6.608 1.00 0.00 C ATOM 801 CG2 VAL A 49 9.727 -5.496 -7.067 1.00 0.00 C ATOM 0 H VAL A 49 7.387 -6.950 -6.133 1.00 0.00 H new ATOM 0 HA VAL A 49 9.127 -7.861 -8.246 1.00 0.00 H new ATOM 0 HB VAL A 49 9.650 -6.848 -5.422 1.00 0.00 H new ATOM 0 HG11 VAL A 49 12.001 -6.637 -6.115 1.00 0.00 H new ATOM 0 HG12 VAL A 49 11.454 -8.331 -6.137 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.612 -7.427 -7.662 1.00 0.00 H new ATOM 0 HG21 VAL A 49 10.407 -4.805 -6.569 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.950 -5.519 -8.134 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.699 -5.165 -6.918 1.00 0.00 H new ATOM 811 N GLY A 50 9.413 -10.234 -7.564 1.00 0.00 N ATOM 812 CA GLY A 50 9.689 -11.604 -7.174 1.00 0.00 C ATOM 813 C GLY A 50 8.600 -12.187 -6.295 1.00 0.00 C ATOM 814 O GLY A 50 7.519 -12.522 -6.776 1.00 0.00 O ATOM 0 H GLY A 50 9.373 -10.075 -8.571 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.798 -12.218 -8.068 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.640 -11.643 -6.643 1.00 0.00 H new ATOM 818 N GLU A 51 8.888 -12.311 -5.003 1.00 0.00 N ATOM 819 CA GLU A 51 7.925 -12.860 -4.056 1.00 0.00 C ATOM 820 C GLU A 51 7.439 -11.785 -3.088 1.00 0.00 C ATOM 821 O GLU A 51 7.116 -12.073 -1.936 1.00 0.00 O ATOM 822 CB GLU A 51 8.548 -14.020 -3.276 1.00 0.00 C ATOM 823 CG GLU A 51 8.789 -15.261 -4.120 1.00 0.00 C ATOM 824 CD GLU A 51 7.502 -15.966 -4.501 1.00 0.00 C ATOM 825 OE1 GLU A 51 6.870 -16.572 -3.611 1.00 0.00 O ATOM 826 OE2 GLU A 51 7.126 -15.911 -5.691 1.00 0.00 O ATOM 0 H GLU A 51 9.780 -12.039 -4.589 1.00 0.00 H new ATOM 0 HA GLU A 51 7.069 -13.229 -4.621 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.495 -13.692 -2.848 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.895 -14.279 -2.443 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.327 -14.981 -5.025 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.428 -15.952 -3.570 1.00 0.00 H new ATOM 833 N GLU A 52 7.392 -10.545 -3.565 1.00 0.00 N ATOM 834 CA GLU A 52 6.948 -9.427 -2.741 1.00 0.00 C ATOM 835 C GLU A 52 6.348 -8.320 -3.604 1.00 0.00 C ATOM 836 O GLU A 52 6.339 -8.411 -4.833 1.00 0.00 O ATOM 837 CB GLU A 52 8.115 -8.873 -1.921 1.00 0.00 C ATOM 838 CG GLU A 52 8.747 -9.898 -0.994 1.00 0.00 C ATOM 839 CD GLU A 52 9.566 -9.258 0.111 1.00 0.00 C ATOM 840 OE1 GLU A 52 9.242 -8.119 0.507 1.00 0.00 O ATOM 841 OE2 GLU A 52 10.531 -9.898 0.579 1.00 0.00 O ATOM 0 H GLU A 52 7.656 -10.290 -4.517 1.00 0.00 H new ATOM 0 HA GLU A 52 6.178 -9.793 -2.062 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.877 -8.491 -2.601 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.764 -8.028 -1.329 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.964 -10.513 -0.551 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.385 -10.564 -1.575 1.00 0.00 H new ATOM 848 N LEU A 53 5.848 -7.276 -2.953 1.00 0.00 N ATOM 849 CA LEU A 53 5.245 -6.151 -3.659 1.00 0.00 C ATOM 850 C LEU A 53 5.766 -4.825 -3.115 1.00 0.00 C ATOM 851 O LEU A 53 5.998 -4.682 -1.914 1.00 0.00 O ATOM 852 CB LEU A 53 3.721 -6.203 -3.536 1.00 0.00 C ATOM 853 CG LEU A 53 2.980 -6.913 -4.669 1.00 0.00 C ATOM 854 CD1 LEU A 53 1.716 -7.578 -4.146 1.00 0.00 C ATOM 855 CD2 LEU A 53 2.647 -5.933 -5.785 1.00 0.00 C ATOM 0 H LEU A 53 5.848 -7.185 -1.937 1.00 0.00 H new ATOM 0 HA LEU A 53 5.520 -6.224 -4.711 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.469 -6.698 -2.598 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.347 -5.181 -3.468 1.00 0.00 H new ATOM 0 HG LEU A 53 3.632 -7.687 -5.075 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.202 -8.078 -4.967 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.979 -8.310 -3.383 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.060 -6.823 -3.713 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.120 -6.456 -6.583 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.014 -5.137 -5.393 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.568 -5.504 -6.179 1.00 0.00 H new ATOM 867 N VAL A 54 5.945 -3.855 -4.006 1.00 0.00 N ATOM 868 CA VAL A 54 6.435 -2.538 -3.615 1.00 0.00 C ATOM 869 C VAL A 54 5.484 -1.439 -4.076 1.00 0.00 C ATOM 870 O VAL A 54 5.382 -1.151 -5.269 1.00 0.00 O ATOM 871 CB VAL A 54 7.836 -2.266 -4.194 1.00 0.00 C ATOM 872 CG1 VAL A 54 8.326 -0.887 -3.780 1.00 0.00 C ATOM 873 CG2 VAL A 54 8.813 -3.344 -3.751 1.00 0.00 C ATOM 0 H VAL A 54 5.758 -3.956 -5.004 1.00 0.00 H new ATOM 0 HA VAL A 54 6.493 -2.532 -2.527 1.00 0.00 H new ATOM 0 HB VAL A 54 7.772 -2.291 -5.282 1.00 0.00 H new ATOM 0 HG11 VAL A 54 9.317 -0.712 -4.198 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.637 -0.129 -4.152 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.376 -0.830 -2.693 1.00 0.00 H new ATOM 0 HG21 VAL A 54 9.798 -3.136 -4.169 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.875 -3.354 -2.663 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.467 -4.316 -4.103 1.00 0.00 H new ATOM 883 N VAL A 55 4.789 -0.827 -3.122 1.00 0.00 N ATOM 884 CA VAL A 55 3.847 0.243 -3.429 1.00 0.00 C ATOM 885 C VAL A 55 4.463 1.611 -3.162 1.00 0.00 C ATOM 886 O VAL A 55 5.072 1.836 -2.115 1.00 0.00 O ATOM 887 CB VAL A 55 2.553 0.105 -2.606 1.00 0.00 C ATOM 888 CG1 VAL A 55 1.698 1.355 -2.741 1.00 0.00 C ATOM 889 CG2 VAL A 55 1.777 -1.131 -3.036 1.00 0.00 C ATOM 0 H VAL A 55 4.861 -1.054 -2.130 1.00 0.00 H new ATOM 0 HA VAL A 55 3.605 0.157 -4.488 1.00 0.00 H new ATOM 0 HB VAL A 55 2.822 -0.010 -1.556 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.788 1.239 -2.152 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.256 2.218 -2.379 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.436 1.505 -3.788 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.866 -1.213 -2.444 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.518 -1.049 -4.092 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.391 -2.018 -2.881 1.00 0.00 H new ATOM 899 N HIS A 56 4.301 2.524 -4.115 1.00 0.00 N ATOM 900 CA HIS A 56 4.841 3.872 -3.982 1.00 0.00 C ATOM 901 C HIS A 56 3.727 4.878 -3.708 1.00 0.00 C ATOM 902 O HIS A 56 3.070 5.360 -4.632 1.00 0.00 O ATOM 903 CB HIS A 56 5.601 4.267 -5.249 1.00 0.00 C ATOM 904 CG HIS A 56 6.911 3.559 -5.406 1.00 0.00 C ATOM 905 ND1 HIS A 56 8.126 4.156 -5.139 1.00 0.00 N ATOM 906 CD2 HIS A 56 7.193 2.297 -5.804 1.00 0.00 C ATOM 907 CE1 HIS A 56 9.098 3.291 -5.368 1.00 0.00 C ATOM 908 NE2 HIS A 56 8.559 2.155 -5.772 1.00 0.00 N ATOM 0 H HIS A 56 3.800 2.354 -4.987 1.00 0.00 H new ATOM 0 HA HIS A 56 5.530 3.880 -3.137 1.00 0.00 H new ATOM 0 HB2 HIS A 56 4.977 4.057 -6.118 1.00 0.00 H new ATOM 0 HB3 HIS A 56 5.778 5.343 -5.237 1.00 0.00 H new ATOM 0 HD1 HIS A 56 8.254 5.115 -4.816 1.00 0.00 H new ATOM 0 HD2 HIS A 56 6.477 1.542 -6.093 1.00 0.00 H new ATOM 0 HE1 HIS A 56 10.154 3.481 -5.246 1.00 0.00 H new ATOM 916 N LEU A 57 3.520 5.191 -2.434 1.00 0.00 N ATOM 917 CA LEU A 57 2.485 6.140 -2.038 1.00 0.00 C ATOM 918 C LEU A 57 2.858 7.559 -2.457 1.00 0.00 C ATOM 919 O LEU A 57 4.034 7.917 -2.494 1.00 0.00 O ATOM 920 CB LEU A 57 2.265 6.084 -0.525 1.00 0.00 C ATOM 921 CG LEU A 57 1.908 4.713 0.050 1.00 0.00 C ATOM 922 CD1 LEU A 57 1.923 4.752 1.571 1.00 0.00 C ATOM 923 CD2 LEU A 57 0.549 4.258 -0.460 1.00 0.00 C ATOM 0 H LEU A 57 4.055 4.802 -1.657 1.00 0.00 H new ATOM 0 HA LEU A 57 1.560 5.863 -2.544 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.171 6.438 -0.033 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.469 6.783 -0.267 1.00 0.00 H new ATOM 0 HG LEU A 57 2.657 3.995 -0.282 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.667 3.768 1.963 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.917 5.033 1.918 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.196 5.483 1.923 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.312 3.280 -0.040 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.212 4.977 -0.158 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.573 4.190 -1.548 1.00 0.00 H new ATOM 935 N ALA A 58 1.847 8.363 -2.769 1.00 0.00 N ATOM 936 CA ALA A 58 2.068 9.744 -3.180 1.00 0.00 C ATOM 937 C ALA A 58 2.679 10.563 -2.049 1.00 0.00 C ATOM 938 O ALA A 58 2.273 10.444 -0.894 1.00 0.00 O ATOM 939 CB ALA A 58 0.762 10.372 -3.643 1.00 0.00 C ATOM 0 H ALA A 58 0.867 8.082 -2.745 1.00 0.00 H new ATOM 0 HA ALA A 58 2.772 9.741 -4.012 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.942 11.403 -3.947 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.367 9.808 -4.488 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.040 10.355 -2.826 1.00 0.00 H new ATOM 945 N GLY A 59 3.660 11.394 -2.389 1.00 0.00 N ATOM 946 CA GLY A 59 4.312 12.220 -1.389 1.00 0.00 C ATOM 947 C GLY A 59 5.607 11.611 -0.889 1.00 0.00 C ATOM 948 O GLY A 59 6.579 12.322 -0.636 1.00 0.00 O ATOM 0 H GLY A 59 4.015 11.510 -3.338 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.516 13.204 -1.812 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.635 12.369 -0.548 1.00 0.00 H new ATOM 952 N VAL A 60 5.621 10.289 -0.745 1.00 0.00 N ATOM 953 CA VAL A 60 6.806 9.585 -0.271 1.00 0.00 C ATOM 954 C VAL A 60 7.838 9.436 -1.383 1.00 0.00 C ATOM 955 O VAL A 60 7.780 8.499 -2.180 1.00 0.00 O ATOM 956 CB VAL A 60 6.449 8.188 0.272 1.00 0.00 C ATOM 957 CG1 VAL A 60 7.709 7.419 0.639 1.00 0.00 C ATOM 958 CG2 VAL A 60 5.519 8.306 1.471 1.00 0.00 C ATOM 0 H VAL A 60 4.825 9.685 -0.950 1.00 0.00 H new ATOM 0 HA VAL A 60 7.228 10.184 0.536 1.00 0.00 H new ATOM 0 HB VAL A 60 5.930 7.635 -0.510 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.437 6.435 1.021 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.336 7.305 -0.245 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.259 7.966 1.405 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.276 7.310 1.843 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.011 8.877 2.258 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.603 8.815 1.172 1.00 0.00 H new ATOM 968 N THR A 61 8.785 10.368 -1.432 1.00 0.00 N ATOM 969 CA THR A 61 9.831 10.342 -2.447 1.00 0.00 C ATOM 970 C THR A 61 11.216 10.310 -1.809 1.00 0.00 C ATOM 971 O THR A 61 12.216 10.617 -2.458 1.00 0.00 O ATOM 972 CB THR A 61 9.737 11.562 -3.382 1.00 0.00 C ATOM 973 OG1 THR A 61 9.852 12.771 -2.623 1.00 0.00 O ATOM 974 CG2 THR A 61 8.421 11.559 -4.145 1.00 0.00 C ATOM 0 H THR A 61 8.849 11.150 -0.780 1.00 0.00 H new ATOM 0 HA THR A 61 9.682 9.434 -3.031 1.00 0.00 H new ATOM 0 HB THR A 61 10.555 11.505 -4.100 1.00 0.00 H new ATOM 0 HG1 THR A 61 9.793 13.542 -3.225 1.00 0.00 H new ATOM 0 HG21 THR A 61 8.378 12.430 -4.799 1.00 0.00 H new ATOM 0 HG22 THR A 61 8.350 10.651 -4.744 1.00 0.00 H new ATOM 0 HG23 THR A 61 7.591 11.593 -3.439 1.00 0.00 H new ATOM 982 N ASP A 62 11.266 9.937 -0.535 1.00 0.00 N ATOM 983 CA ASP A 62 12.529 9.863 0.190 1.00 0.00 C ATOM 984 C ASP A 62 12.497 8.742 1.225 1.00 0.00 C ATOM 985 O ASP A 62 11.448 8.439 1.794 1.00 0.00 O ATOM 986 CB ASP A 62 12.827 11.198 0.875 1.00 0.00 C ATOM 987 CG ASP A 62 11.588 11.825 1.485 1.00 0.00 C ATOM 988 OD1 ASP A 62 10.860 12.530 0.756 1.00 0.00 O ATOM 989 OD2 ASP A 62 11.348 11.610 2.692 1.00 0.00 O ATOM 0 H ASP A 62 10.447 9.681 0.017 1.00 0.00 H new ATOM 0 HA ASP A 62 13.320 9.647 -0.528 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.574 11.045 1.654 1.00 0.00 H new ATOM 0 HB3 ASP A 62 13.260 11.887 0.149 1.00 0.00 H new ATOM 994 N ARG A 63 13.652 8.130 1.462 1.00 0.00 N ATOM 995 CA ARG A 63 13.756 7.041 2.426 1.00 0.00 C ATOM 996 C ARG A 63 13.121 7.432 3.758 1.00 0.00 C ATOM 997 O ARG A 63 12.449 6.623 4.399 1.00 0.00 O ATOM 998 CB ARG A 63 15.222 6.659 2.641 1.00 0.00 C ATOM 999 CG ARG A 63 15.411 5.257 3.195 1.00 0.00 C ATOM 1000 CD ARG A 63 16.856 5.006 3.597 1.00 0.00 C ATOM 1001 NE ARG A 63 17.243 5.792 4.765 1.00 0.00 N ATOM 1002 CZ ARG A 63 18.259 5.475 5.560 1.00 0.00 C ATOM 1003 NH1 ARG A 63 18.987 4.394 5.313 1.00 0.00 N ATOM 1004 NH2 ARG A 63 18.550 6.240 6.604 1.00 0.00 N ATOM 0 H ARG A 63 14.529 8.369 1.000 1.00 0.00 H new ATOM 0 HA ARG A 63 13.219 6.182 2.025 1.00 0.00 H new ATOM 0 HB2 ARG A 63 15.753 6.740 1.692 1.00 0.00 H new ATOM 0 HB3 ARG A 63 15.679 7.375 3.324 1.00 0.00 H new ATOM 0 HG2 ARG A 63 14.762 5.116 4.059 1.00 0.00 H new ATOM 0 HG3 ARG A 63 15.108 4.525 2.446 1.00 0.00 H new ATOM 0 HD2 ARG A 63 16.994 3.946 3.811 1.00 0.00 H new ATOM 0 HD3 ARG A 63 17.512 5.250 2.762 1.00 0.00 H new ATOM 0 HE ARG A 63 16.704 6.630 4.982 1.00 0.00 H new ATOM 0 HH11 ARG A 63 18.767 3.804 4.511 1.00 0.00 H new ATOM 0 HH12 ARG A 63 19.766 4.153 5.925 1.00 0.00 H new ATOM 0 HH21 ARG A 63 17.993 7.073 6.797 1.00 0.00 H new ATOM 0 HH22 ARG A 63 19.330 5.996 7.214 1.00 0.00 H new ATOM 1018 N THR A 64 13.340 8.677 4.169 1.00 0.00 N ATOM 1019 CA THR A 64 12.792 9.175 5.424 1.00 0.00 C ATOM 1020 C THR A 64 11.278 9.001 5.470 1.00 0.00 C ATOM 1021 O THR A 64 10.750 8.293 6.329 1.00 0.00 O ATOM 1022 CB THR A 64 13.133 10.662 5.636 1.00 0.00 C ATOM 1023 OG1 THR A 64 14.553 10.842 5.642 1.00 0.00 O ATOM 1024 CG2 THR A 64 12.546 11.170 6.944 1.00 0.00 C ATOM 0 H THR A 64 13.893 9.359 3.650 1.00 0.00 H new ATOM 0 HA THR A 64 13.247 8.589 6.222 1.00 0.00 H new ATOM 0 HB THR A 64 12.699 11.233 4.816 1.00 0.00 H new ATOM 0 HG1 THR A 64 14.762 11.790 5.776 1.00 0.00 H new ATOM 0 HG21 THR A 64 12.800 12.222 7.072 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.462 11.058 6.924 1.00 0.00 H new ATOM 0 HG23 THR A 64 12.955 10.594 7.774 1.00 0.00 H new ATOM 1032 N LEU A 65 10.584 9.649 4.542 1.00 0.00 N ATOM 1033 CA LEU A 65 9.129 9.566 4.475 1.00 0.00 C ATOM 1034 C LEU A 65 8.667 8.112 4.471 1.00 0.00 C ATOM 1035 O LEU A 65 7.746 7.741 5.199 1.00 0.00 O ATOM 1036 CB LEU A 65 8.614 10.280 3.225 1.00 0.00 C ATOM 1037 CG LEU A 65 8.518 11.803 3.313 1.00 0.00 C ATOM 1038 CD1 LEU A 65 8.244 12.402 1.942 1.00 0.00 C ATOM 1039 CD2 LEU A 65 7.436 12.213 4.302 1.00 0.00 C ATOM 0 H LEU A 65 11.006 10.239 3.824 1.00 0.00 H new ATOM 0 HA LEU A 65 8.721 10.056 5.359 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.267 10.025 2.390 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.625 9.887 2.988 1.00 0.00 H new ATOM 0 HG LEU A 65 9.474 12.187 3.670 1.00 0.00 H new ATOM 0 HD11 LEU A 65 8.179 13.487 2.025 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.053 12.138 1.261 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.303 12.011 1.556 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.382 13.301 4.352 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.475 11.816 3.975 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.676 11.816 5.289 1.00 0.00 H new ATOM 1051 N ALA A 66 9.314 7.293 3.649 1.00 0.00 N ATOM 1052 CA ALA A 66 8.973 5.879 3.554 1.00 0.00 C ATOM 1053 C ALA A 66 9.101 5.191 4.908 1.00 0.00 C ATOM 1054 O ALA A 66 8.156 4.567 5.389 1.00 0.00 O ATOM 1055 CB ALA A 66 9.856 5.191 2.524 1.00 0.00 C ATOM 0 H ALA A 66 10.078 7.584 3.039 1.00 0.00 H new ATOM 0 HA ALA A 66 7.934 5.802 3.234 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.590 4.136 2.464 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.711 5.658 1.550 1.00 0.00 H new ATOM 0 HB3 ALA A 66 10.901 5.286 2.819 1.00 0.00 H new ATOM 1061 N GLU A 67 10.277 5.308 5.518 1.00 0.00 N ATOM 1062 CA GLU A 67 10.528 4.695 6.817 1.00 0.00 C ATOM 1063 C GLU A 67 9.428 5.056 7.811 1.00 0.00 C ATOM 1064 O GLU A 67 9.012 4.228 8.620 1.00 0.00 O ATOM 1065 CB GLU A 67 11.888 5.138 7.360 1.00 0.00 C ATOM 1066 CG GLU A 67 13.050 4.306 6.845 1.00 0.00 C ATOM 1067 CD GLU A 67 14.257 4.360 7.761 1.00 0.00 C ATOM 1068 OE1 GLU A 67 14.709 5.480 8.081 1.00 0.00 O ATOM 1069 OE2 GLU A 67 14.751 3.284 8.157 1.00 0.00 O ATOM 0 H GLU A 67 11.070 5.821 5.133 1.00 0.00 H new ATOM 0 HA GLU A 67 10.533 3.613 6.685 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.053 6.182 7.093 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.869 5.086 8.449 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.729 3.270 6.734 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.334 4.660 5.854 1.00 0.00 H new ATOM 1076 N ALA A 68 8.962 6.299 7.742 1.00 0.00 N ATOM 1077 CA ALA A 68 7.910 6.770 8.634 1.00 0.00 C ATOM 1078 C ALA A 68 6.642 5.938 8.476 1.00 0.00 C ATOM 1079 O ALA A 68 5.859 5.797 9.416 1.00 0.00 O ATOM 1080 CB ALA A 68 7.615 8.240 8.372 1.00 0.00 C ATOM 0 H ALA A 68 9.296 6.997 7.078 1.00 0.00 H new ATOM 0 HA ALA A 68 8.261 6.658 9.660 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.827 8.579 9.045 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.517 8.828 8.543 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.289 8.367 7.340 1.00 0.00 H new ATOM 1086 N LEU A 69 6.446 5.389 7.283 1.00 0.00 N ATOM 1087 CA LEU A 69 5.272 4.570 7.001 1.00 0.00 C ATOM 1088 C LEU A 69 5.636 3.089 6.968 1.00 0.00 C ATOM 1089 O LEU A 69 4.989 2.294 6.286 1.00 0.00 O ATOM 1090 CB LEU A 69 4.646 4.982 5.668 1.00 0.00 C ATOM 1091 CG LEU A 69 4.123 6.417 5.588 1.00 0.00 C ATOM 1092 CD1 LEU A 69 3.754 6.771 4.155 1.00 0.00 C ATOM 1093 CD2 LEU A 69 2.925 6.600 6.509 1.00 0.00 C ATOM 0 H LEU A 69 7.085 5.496 6.495 1.00 0.00 H new ATOM 0 HA LEU A 69 4.548 4.730 7.800 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.388 4.843 4.882 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.821 4.303 5.451 1.00 0.00 H new ATOM 0 HG LEU A 69 4.915 7.091 5.915 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.384 7.796 4.117 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.635 6.680 3.519 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.979 6.092 3.801 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.566 7.627 6.439 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.130 5.917 6.212 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.220 6.388 7.537 1.00 0.00 H new ATOM 1105 N VAL A 70 6.676 2.724 7.712 1.00 0.00 N ATOM 1106 CA VAL A 70 7.124 1.338 7.771 1.00 0.00 C ATOM 1107 C VAL A 70 6.713 0.682 9.084 1.00 0.00 C ATOM 1108 O VAL A 70 7.192 1.058 10.154 1.00 0.00 O ATOM 1109 CB VAL A 70 8.653 1.235 7.615 1.00 0.00 C ATOM 1110 CG1 VAL A 70 9.151 -0.115 8.106 1.00 0.00 C ATOM 1111 CG2 VAL A 70 9.058 1.468 6.167 1.00 0.00 C ATOM 0 H VAL A 70 7.223 3.369 8.282 1.00 0.00 H new ATOM 0 HA VAL A 70 6.645 0.816 6.942 1.00 0.00 H new ATOM 0 HB VAL A 70 9.116 2.010 8.227 1.00 0.00 H new ATOM 0 HG11 VAL A 70 10.233 -0.169 7.988 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.895 -0.237 9.158 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.683 -0.909 7.524 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.141 1.392 6.075 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.586 0.718 5.532 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.737 2.462 5.855 1.00 0.00 H new ATOM 1121 N GLY A 71 5.822 -0.301 8.996 1.00 0.00 N ATOM 1122 CA GLY A 71 5.362 -0.994 10.185 1.00 0.00 C ATOM 1123 C GLY A 71 3.852 -0.969 10.322 1.00 0.00 C ATOM 1124 O GLY A 71 3.254 -1.908 10.848 1.00 0.00 O ATOM 0 H GLY A 71 5.411 -0.630 8.122 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.704 -2.028 10.154 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.811 -0.536 11.066 1.00 0.00 H new ATOM 1128 N LEU A 72 3.235 0.109 9.850 1.00 0.00 N ATOM 1129 CA LEU A 72 1.785 0.253 9.924 1.00 0.00 C ATOM 1130 C LEU A 72 1.093 -0.696 8.951 1.00 0.00 C ATOM 1131 O LEU A 72 1.735 -1.290 8.085 1.00 0.00 O ATOM 1132 CB LEU A 72 1.381 1.697 9.620 1.00 0.00 C ATOM 1133 CG LEU A 72 1.920 2.761 10.577 1.00 0.00 C ATOM 1134 CD1 LEU A 72 1.613 4.155 10.053 1.00 0.00 C ATOM 1135 CD2 LEU A 72 1.336 2.571 11.969 1.00 0.00 C ATOM 0 H LEU A 72 3.715 0.895 9.413 1.00 0.00 H new ATOM 0 HA LEU A 72 1.470 -0.001 10.936 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.715 1.942 8.612 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.293 1.756 9.619 1.00 0.00 H new ATOM 0 HG LEU A 72 3.002 2.650 10.641 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.004 4.899 10.747 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.080 4.288 9.077 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.534 4.279 9.958 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.731 3.337 12.637 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.250 2.654 11.923 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.608 1.585 12.346 1.00 0.00 H new ATOM 1147 N ARG A 73 -0.221 -0.832 9.099 1.00 0.00 N ATOM 1148 CA ARG A 73 -1.001 -1.708 8.233 1.00 0.00 C ATOM 1149 C ARG A 73 -1.796 -0.897 7.214 1.00 0.00 C ATOM 1150 O ARG A 73 -2.277 0.195 7.513 1.00 0.00 O ATOM 1151 CB ARG A 73 -1.950 -2.571 9.066 1.00 0.00 C ATOM 1152 CG ARG A 73 -1.238 -3.469 10.065 1.00 0.00 C ATOM 1153 CD ARG A 73 -1.044 -2.771 11.402 1.00 0.00 C ATOM 1154 NE ARG A 73 -0.664 -3.706 12.458 1.00 0.00 N ATOM 1155 CZ ARG A 73 -0.831 -3.460 13.752 1.00 0.00 C ATOM 1156 NH1 ARG A 73 -1.368 -2.315 14.149 1.00 0.00 N ATOM 1157 NH2 ARG A 73 -0.460 -4.361 14.653 1.00 0.00 N ATOM 0 H ARG A 73 -0.768 -0.347 9.810 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.309 -2.356 7.696 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.642 -1.922 9.603 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.548 -3.189 8.396 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.815 -4.382 10.210 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -0.269 -3.765 9.664 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -0.275 -2.005 11.303 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -1.966 -2.263 11.683 1.00 0.00 H new ATOM 0 HE ARG A 73 -0.248 -4.597 12.186 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -1.654 -1.620 13.460 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -1.495 -2.129 15.144 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -0.046 -5.243 14.352 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -0.589 -4.171 15.647 1.00 0.00 H new ATOM 1171 N VAL A 74 -1.929 -1.440 6.008 1.00 0.00 N ATOM 1172 CA VAL A 74 -2.665 -0.768 4.944 1.00 0.00 C ATOM 1173 C VAL A 74 -4.129 -1.196 4.934 1.00 0.00 C ATOM 1174 O VAL A 74 -4.440 -2.384 5.024 1.00 0.00 O ATOM 1175 CB VAL A 74 -2.048 -1.059 3.563 1.00 0.00 C ATOM 1176 CG1 VAL A 74 -2.815 -0.330 2.470 1.00 0.00 C ATOM 1177 CG2 VAL A 74 -0.578 -0.668 3.545 1.00 0.00 C ATOM 0 H VAL A 74 -1.537 -2.344 5.744 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.602 0.302 5.143 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.119 -2.130 3.371 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.364 -0.548 1.502 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.853 -0.663 2.470 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.778 0.744 2.654 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.157 -0.880 2.562 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.482 0.396 3.759 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.040 -1.240 4.301 1.00 0.00 H new ATOM 1187 N TYR A 75 -5.024 -0.221 4.823 1.00 0.00 N ATOM 1188 CA TYR A 75 -6.455 -0.496 4.803 1.00 0.00 C ATOM 1189 C TYR A 75 -7.069 -0.092 3.466 1.00 0.00 C ATOM 1190 O TYR A 75 -6.701 0.928 2.884 1.00 0.00 O ATOM 1191 CB TYR A 75 -7.155 0.246 5.943 1.00 0.00 C ATOM 1192 CG TYR A 75 -6.917 -0.371 7.302 1.00 0.00 C ATOM 1193 CD1 TYR A 75 -5.697 -0.226 7.950 1.00 0.00 C ATOM 1194 CD2 TYR A 75 -7.915 -1.099 7.940 1.00 0.00 C ATOM 1195 CE1 TYR A 75 -5.476 -0.789 9.192 1.00 0.00 C ATOM 1196 CE2 TYR A 75 -7.703 -1.665 9.183 1.00 0.00 C ATOM 1197 CZ TYR A 75 -6.482 -1.507 9.804 1.00 0.00 C ATOM 1198 OH TYR A 75 -6.266 -2.069 11.042 1.00 0.00 O ATOM 0 H TYR A 75 -4.783 0.767 4.745 1.00 0.00 H new ATOM 0 HA TYR A 75 -6.594 -1.569 4.937 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -6.811 1.280 5.957 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -8.227 0.269 5.746 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -4.907 0.337 7.475 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -8.872 -1.224 7.456 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -4.521 -0.668 9.681 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -8.489 -2.228 9.665 1.00 0.00 H new ATOM 0 HH TYR A 75 -7.075 -2.540 11.333 1.00 0.00 H new ATOM 1208 N ALA A 76 -8.008 -0.900 2.984 1.00 0.00 N ATOM 1209 CA ALA A 76 -8.676 -0.626 1.718 1.00 0.00 C ATOM 1210 C ALA A 76 -10.170 -0.402 1.923 1.00 0.00 C ATOM 1211 O ALA A 76 -10.715 -0.719 2.979 1.00 0.00 O ATOM 1212 CB ALA A 76 -8.440 -1.768 0.740 1.00 0.00 C ATOM 0 H ALA A 76 -8.323 -1.750 3.452 1.00 0.00 H new ATOM 0 HA ALA A 76 -8.253 0.288 1.302 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -8.944 -1.551 -0.202 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -7.370 -1.879 0.562 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -8.836 -2.693 1.159 1.00 0.00 H new ATOM 1218 N GLU A 77 -10.827 0.146 0.905 1.00 0.00 N ATOM 1219 CA GLU A 77 -12.258 0.414 0.975 1.00 0.00 C ATOM 1220 C GLU A 77 -13.009 -0.350 -0.112 1.00 0.00 C ATOM 1221 O GLU A 77 -12.805 -0.116 -1.303 1.00 0.00 O ATOM 1222 CB GLU A 77 -12.527 1.914 0.838 1.00 0.00 C ATOM 1223 CG GLU A 77 -13.773 2.379 1.573 1.00 0.00 C ATOM 1224 CD GLU A 77 -14.261 3.733 1.095 1.00 0.00 C ATOM 1225 OE1 GLU A 77 -14.070 4.045 -0.098 1.00 0.00 O ATOM 1226 OE2 GLU A 77 -14.834 4.479 1.916 1.00 0.00 O ATOM 0 H GLU A 77 -10.391 0.413 0.023 1.00 0.00 H new ATOM 0 HA GLU A 77 -12.617 0.076 1.947 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.666 2.465 1.216 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.625 2.162 -0.219 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.566 1.643 1.438 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -13.563 2.429 2.641 1.00 0.00 H new ATOM 1233 N VAL A 78 -13.877 -1.265 0.307 1.00 0.00 N ATOM 1234 CA VAL A 78 -14.659 -2.063 -0.629 1.00 0.00 C ATOM 1235 C VAL A 78 -15.381 -1.176 -1.637 1.00 0.00 C ATOM 1236 O VAL A 78 -15.698 -1.609 -2.745 1.00 0.00 O ATOM 1237 CB VAL A 78 -15.694 -2.936 0.105 1.00 0.00 C ATOM 1238 CG1 VAL A 78 -16.349 -3.913 -0.860 1.00 0.00 C ATOM 1239 CG2 VAL A 78 -15.042 -3.674 1.264 1.00 0.00 C ATOM 0 H VAL A 78 -14.056 -1.472 1.290 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.958 -2.710 -1.156 1.00 0.00 H new ATOM 0 HB VAL A 78 -16.471 -2.286 0.509 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -17.077 -4.521 -0.324 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -16.852 -3.359 -1.653 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -15.587 -4.559 -1.296 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -15.788 -4.286 1.771 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -14.244 -4.313 0.886 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -14.626 -2.952 1.967 1.00 0.00 H new ATOM 1249 N ALA A 79 -15.639 0.067 -1.246 1.00 0.00 N ATOM 1250 CA ALA A 79 -16.322 1.016 -2.116 1.00 0.00 C ATOM 1251 C ALA A 79 -15.649 1.091 -3.482 1.00 0.00 C ATOM 1252 O ALA A 79 -16.238 1.572 -4.450 1.00 0.00 O ATOM 1253 CB ALA A 79 -16.361 2.393 -1.468 1.00 0.00 C ATOM 0 H ALA A 79 -15.385 0.441 -0.332 1.00 0.00 H new ATOM 0 HA ALA A 79 -17.344 0.666 -2.262 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -16.874 3.092 -2.129 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -16.894 2.334 -0.519 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -15.343 2.741 -1.292 1.00 0.00 H new ATOM 1259 N ASP A 80 -14.411 0.615 -3.553 1.00 0.00 N ATOM 1260 CA ASP A 80 -13.657 0.628 -4.801 1.00 0.00 C ATOM 1261 C ASP A 80 -13.620 -0.762 -5.429 1.00 0.00 C ATOM 1262 O ASP A 80 -13.726 -0.908 -6.647 1.00 0.00 O ATOM 1263 CB ASP A 80 -12.232 1.128 -4.557 1.00 0.00 C ATOM 1264 CG ASP A 80 -12.161 2.638 -4.438 1.00 0.00 C ATOM 1265 OD1 ASP A 80 -12.633 3.176 -3.415 1.00 0.00 O ATOM 1266 OD2 ASP A 80 -11.633 3.281 -5.369 1.00 0.00 O ATOM 0 H ASP A 80 -13.908 0.215 -2.761 1.00 0.00 H new ATOM 0 HA ASP A 80 -14.159 1.306 -5.491 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -11.843 0.676 -3.645 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.590 0.800 -5.375 1.00 0.00 H new ATOM 1271 N LEU A 81 -13.469 -1.781 -4.589 1.00 0.00 N ATOM 1272 CA LEU A 81 -13.417 -3.160 -5.061 1.00 0.00 C ATOM 1273 C LEU A 81 -14.447 -3.398 -6.161 1.00 0.00 C ATOM 1274 O LEU A 81 -15.470 -2.719 -6.245 1.00 0.00 O ATOM 1275 CB LEU A 81 -13.661 -4.126 -3.900 1.00 0.00 C ATOM 1276 CG LEU A 81 -12.513 -4.279 -2.902 1.00 0.00 C ATOM 1277 CD1 LEU A 81 -12.896 -5.246 -1.793 1.00 0.00 C ATOM 1278 CD2 LEU A 81 -11.250 -4.749 -3.609 1.00 0.00 C ATOM 0 H LEU A 81 -13.381 -1.678 -3.578 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.424 -3.340 -5.473 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -14.546 -3.794 -3.357 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -13.890 -5.108 -4.313 1.00 0.00 H new ATOM 0 HG LEU A 81 -12.314 -3.305 -2.455 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -12.067 -5.343 -1.092 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -13.773 -4.868 -1.268 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -13.123 -6.222 -2.223 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.444 -4.852 -2.883 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.436 -5.712 -4.084 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.964 -4.020 -4.367 1.00 0.00 H new ATOM 1290 N PRO A 82 -14.174 -4.388 -7.024 1.00 0.00 N ATOM 1291 CA PRO A 82 -15.066 -4.741 -8.132 1.00 0.00 C ATOM 1292 C PRO A 82 -16.361 -5.386 -7.651 1.00 0.00 C ATOM 1293 O PRO A 82 -16.395 -6.088 -6.640 1.00 0.00 O ATOM 1294 CB PRO A 82 -14.241 -5.740 -8.947 1.00 0.00 C ATOM 1295 CG PRO A 82 -13.287 -6.332 -7.967 1.00 0.00 C ATOM 1296 CD PRO A 82 -12.973 -5.239 -6.984 1.00 0.00 C ATOM 0 HA PRO A 82 -15.379 -3.864 -8.698 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -14.875 -6.506 -9.394 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -13.714 -5.246 -9.763 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -13.727 -7.194 -7.465 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -12.382 -6.681 -8.465 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -12.795 -5.636 -5.985 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -12.079 -4.686 -7.271 1.00 0.00 H new ATOM 1304 N PRO A 83 -17.453 -5.145 -8.391 1.00 0.00 N ATOM 1305 CA PRO A 83 -18.771 -5.695 -8.059 1.00 0.00 C ATOM 1306 C PRO A 83 -18.840 -7.203 -8.272 1.00 0.00 C ATOM 1307 O PRO A 83 -18.358 -7.721 -9.280 1.00 0.00 O ATOM 1308 CB PRO A 83 -19.711 -4.974 -9.029 1.00 0.00 C ATOM 1309 CG PRO A 83 -18.847 -4.597 -10.183 1.00 0.00 C ATOM 1310 CD PRO A 83 -17.486 -4.317 -9.608 1.00 0.00 C ATOM 0 HA PRO A 83 -19.023 -5.545 -7.009 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -20.530 -5.622 -9.342 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -20.159 -4.095 -8.566 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -18.803 -5.402 -10.916 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -19.242 -3.720 -10.696 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -16.692 -4.592 -10.303 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -17.357 -3.259 -9.378 1.00 0.00 H new ATOM 1318 N LEU A 84 -19.443 -7.903 -7.318 1.00 0.00 N ATOM 1319 CA LEU A 84 -19.576 -9.354 -7.401 1.00 0.00 C ATOM 1320 C LEU A 84 -20.776 -9.742 -8.259 1.00 0.00 C ATOM 1321 O LEU A 84 -20.836 -10.849 -8.793 1.00 0.00 O ATOM 1322 CB LEU A 84 -19.720 -9.954 -6.001 1.00 0.00 C ATOM 1323 CG LEU A 84 -20.997 -9.590 -5.243 1.00 0.00 C ATOM 1324 CD1 LEU A 84 -22.174 -10.402 -5.760 1.00 0.00 C ATOM 1325 CD2 LEU A 84 -20.811 -9.808 -3.749 1.00 0.00 C ATOM 0 H LEU A 84 -19.848 -7.490 -6.478 1.00 0.00 H new ATOM 0 HA LEU A 84 -18.675 -9.751 -7.868 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -19.669 -11.039 -6.086 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -18.864 -9.640 -5.403 1.00 0.00 H new ATOM 0 HG LEU A 84 -21.209 -8.534 -5.412 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -23.074 -10.130 -5.209 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -22.321 -10.195 -6.820 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -21.972 -11.464 -5.622 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -21.730 -9.544 -3.226 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -20.574 -10.855 -3.561 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -19.995 -9.181 -3.389 1.00 0.00 H new ATOM 1337 N GLU A 85 -21.727 -8.822 -8.389 1.00 0.00 N ATOM 1338 CA GLU A 85 -22.924 -9.069 -9.184 1.00 0.00 C ATOM 1339 C GLU A 85 -22.747 -8.552 -10.609 1.00 0.00 C ATOM 1340 O GLU A 85 -22.842 -9.313 -11.571 1.00 0.00 O ATOM 1341 CB GLU A 85 -24.140 -8.404 -8.535 1.00 0.00 C ATOM 1342 CG GLU A 85 -24.045 -6.889 -8.476 1.00 0.00 C ATOM 1343 CD GLU A 85 -24.892 -6.294 -7.368 1.00 0.00 C ATOM 1344 OE1 GLU A 85 -24.706 -6.692 -6.199 1.00 0.00 O ATOM 1345 OE2 GLU A 85 -25.741 -5.429 -7.670 1.00 0.00 O ATOM 0 H GLU A 85 -21.692 -7.900 -7.954 1.00 0.00 H new ATOM 0 HA GLU A 85 -23.087 -10.146 -9.225 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -25.036 -8.682 -9.091 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -24.259 -8.792 -7.523 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -23.005 -6.599 -8.328 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -24.359 -6.471 -9.433 1.00 0.00 H new TER 1352 GLU A 85