USER MOD reduce.3.24.130724 H: found=0, std=0, add=311, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 309 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 Single : A 1 ASP N :NH3+ -170:sc= 0 (180deg=-0.11) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.305 K(o=-0.31,f=-2.2!) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 22:sc= 0.447 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.639 K(o=-0.64,f=-1.6!) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 162:sc= 0.0254 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -1.39 K(o=-1.4,f=-6.6!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 12 N ASP A 1 -14.288 2.201 -2.878 1.00 0.00 N ATOM 13 CA ASP A 1 -13.424 2.822 -3.915 1.00 0.00 C ATOM 14 C ASP A 1 -12.615 3.960 -3.287 1.00 0.00 C ATOM 15 O ASP A 1 -11.462 4.164 -3.608 1.00 0.00 O ATOM 16 CB ASP A 1 -14.295 3.371 -5.047 1.00 0.00 C ATOM 17 CG ASP A 1 -13.403 3.986 -6.126 1.00 0.00 C ATOM 18 OD1 ASP A 1 -12.888 3.237 -6.940 1.00 0.00 O ATOM 19 OD2 ASP A 1 -13.250 5.196 -6.120 1.00 0.00 O ATOM 0 H1 ASP A 1 -14.709 1.327 -3.254 1.00 0.00 H new ATOM 0 H2 ASP A 1 -13.716 1.976 -2.039 1.00 0.00 H new ATOM 0 H3 ASP A 1 -15.045 2.864 -2.614 1.00 0.00 H new ATOM 0 HA ASP A 1 -12.743 2.073 -4.318 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -14.901 2.572 -5.474 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -14.984 4.121 -4.659 1.00 0.00 H new ATOM 24 N TRP A 2 -13.210 4.703 -2.395 1.00 0.00 N ATOM 25 CA TRP A 2 -12.477 5.821 -1.748 1.00 0.00 C ATOM 26 C TRP A 2 -11.232 5.274 -1.045 1.00 0.00 C ATOM 27 O TRP A 2 -10.196 5.905 -1.004 1.00 0.00 O ATOM 28 CB TRP A 2 -13.374 6.491 -0.708 1.00 0.00 C ATOM 29 CG TRP A 2 -13.541 5.559 0.443 1.00 0.00 C ATOM 30 CD1 TRP A 2 -14.343 4.479 0.436 1.00 0.00 C ATOM 31 CD2 TRP A 2 -12.887 5.583 1.743 1.00 0.00 C ATOM 32 NE1 TRP A 2 -14.240 3.836 1.658 1.00 0.00 N ATOM 33 CE2 TRP A 2 -13.353 4.481 2.499 1.00 0.00 C ATOM 34 CE3 TRP A 2 -11.950 6.449 2.338 1.00 0.00 C ATOM 35 CZ2 TRP A 2 -12.899 4.245 3.799 1.00 0.00 C ATOM 36 CZ3 TRP A 2 -11.493 6.215 3.645 1.00 0.00 C ATOM 37 CH2 TRP A 2 -11.967 5.115 4.374 1.00 0.00 C ATOM 0 H TRP A 2 -14.175 4.582 -2.087 1.00 0.00 H new ATOM 0 HA TRP A 2 -12.188 6.546 -2.509 1.00 0.00 H new ATOM 0 HB2 TRP A 2 -12.931 7.430 -0.374 1.00 0.00 H new ATOM 0 HB3 TRP A 2 -14.344 6.733 -1.143 1.00 0.00 H new ATOM 0 HD1 TRP A 2 -14.966 4.165 -0.388 1.00 0.00 H new ATOM 0 HE1 TRP A 2 -14.755 2.991 1.907 1.00 0.00 H new ATOM 0 HE3 TRP A 2 -11.580 7.300 1.785 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 -13.266 3.396 4.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 -10.773 6.885 4.091 1.00 0.00 H new ATOM 0 HH2 TRP A 2 -11.613 4.940 5.379 1.00 0.00 H new ATOM 48 N LEU A 3 -11.348 4.110 -0.466 1.00 0.00 N ATOM 49 CA LEU A 3 -10.197 3.513 0.266 1.00 0.00 C ATOM 50 C LEU A 3 -8.985 3.395 -0.657 1.00 0.00 C ATOM 51 O LEU A 3 -7.858 3.407 -0.212 1.00 0.00 O ATOM 52 CB LEU A 3 -10.586 2.129 0.785 1.00 0.00 C ATOM 53 CG LEU A 3 -10.992 2.238 2.255 1.00 0.00 C ATOM 54 CD1 LEU A 3 -12.272 1.436 2.494 1.00 0.00 C ATOM 55 CD2 LEU A 3 -9.870 1.683 3.135 1.00 0.00 C ATOM 0 H LEU A 3 -12.197 3.544 -0.469 1.00 0.00 H new ATOM 0 HA LEU A 3 -9.937 4.159 1.105 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -11.410 1.726 0.197 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -9.749 1.439 0.677 1.00 0.00 H new ATOM 0 HG LEU A 3 -11.169 3.284 2.506 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -12.560 1.515 3.542 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -13.071 1.831 1.867 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -12.098 0.390 2.243 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -10.158 1.760 4.183 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -9.693 0.637 2.883 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -8.958 2.256 2.966 1.00 0.00 H new ATOM 67 N LYS A 4 -9.198 3.282 -1.937 1.00 0.00 N ATOM 68 CA LYS A 4 -8.039 3.170 -2.865 1.00 0.00 C ATOM 69 C LYS A 4 -7.227 4.462 -2.801 1.00 0.00 C ATOM 70 O LYS A 4 -6.015 4.455 -2.889 1.00 0.00 O ATOM 71 CB LYS A 4 -8.544 2.945 -4.293 1.00 0.00 C ATOM 72 CG LYS A 4 -9.402 1.680 -4.337 1.00 0.00 C ATOM 73 CD LYS A 4 -9.165 0.946 -5.658 1.00 0.00 C ATOM 74 CE LYS A 4 -10.181 -0.188 -5.801 1.00 0.00 C ATOM 75 NZ LYS A 4 -11.361 0.298 -6.571 1.00 0.00 N ATOM 0 H LYS A 4 -10.117 3.262 -2.379 1.00 0.00 H new ATOM 0 HA LYS A 4 -7.412 2.327 -2.574 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -9.127 3.804 -4.624 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.701 2.850 -4.977 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.153 1.030 -3.498 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -10.456 1.939 -4.237 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.258 1.640 -6.494 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.151 0.546 -5.687 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -9.725 -1.037 -6.310 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.494 -0.537 -4.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -12.053 -0.472 -6.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.800 1.095 -6.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.055 0.611 -7.515 1.00 0.00 H new ATOM 89 N ALA A 5 -7.889 5.573 -2.637 1.00 0.00 N ATOM 90 CA ALA A 5 -7.166 6.871 -2.553 1.00 0.00 C ATOM 91 C ALA A 5 -6.566 7.022 -1.155 1.00 0.00 C ATOM 92 O ALA A 5 -5.405 7.344 -0.996 1.00 0.00 O ATOM 93 CB ALA A 5 -8.149 8.016 -2.811 1.00 0.00 C ATOM 0 H ALA A 5 -8.904 5.637 -2.557 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.371 6.899 -3.298 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.622 8.968 -2.750 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -8.584 7.905 -3.804 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.941 7.991 -2.063 1.00 0.00 H new ATOM 99 N ARG A 6 -7.352 6.796 -0.138 1.00 0.00 N ATOM 100 CA ARG A 6 -6.838 6.930 1.251 1.00 0.00 C ATOM 101 C ARG A 6 -5.875 5.780 1.567 1.00 0.00 C ATOM 102 O ARG A 6 -5.200 5.787 2.577 1.00 0.00 O ATOM 103 CB ARG A 6 -8.015 6.912 2.232 1.00 0.00 C ATOM 104 CG ARG A 6 -8.543 5.486 2.386 1.00 0.00 C ATOM 105 CD ARG A 6 -7.989 4.880 3.674 1.00 0.00 C ATOM 106 NE ARG A 6 -8.340 5.761 4.823 1.00 0.00 N ATOM 107 CZ ARG A 6 -7.794 5.559 5.990 1.00 0.00 C ATOM 108 NH1 ARG A 6 -6.497 5.612 6.121 1.00 0.00 N ATOM 109 NH2 ARG A 6 -8.546 5.303 7.026 1.00 0.00 N ATOM 0 H ARG A 6 -8.332 6.523 -0.212 1.00 0.00 H new ATOM 0 HA ARG A 6 -6.301 7.873 1.348 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -7.698 7.298 3.201 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -8.809 7.566 1.872 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -9.633 5.490 2.412 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -8.246 4.881 1.529 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -8.401 3.882 3.827 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.907 4.771 3.602 1.00 0.00 H new ATOM 0 HE ARG A 6 -9.007 6.522 4.697 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -5.910 5.811 5.311 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -6.070 5.454 7.034 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -9.560 5.261 6.922 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -8.120 5.145 7.939 1.00 0.00 H new ATOM 123 N VAL A 7 -5.801 4.794 0.713 1.00 0.00 N ATOM 124 CA VAL A 7 -4.879 3.657 0.970 1.00 0.00 C ATOM 125 C VAL A 7 -3.517 3.954 0.333 1.00 0.00 C ATOM 126 O VAL A 7 -2.500 3.968 0.998 1.00 0.00 O ATOM 127 CB VAL A 7 -5.470 2.372 0.375 1.00 0.00 C ATOM 128 CG1 VAL A 7 -4.372 1.317 0.204 1.00 0.00 C ATOM 129 CG2 VAL A 7 -6.545 1.826 1.318 1.00 0.00 C ATOM 0 H VAL A 7 -6.340 4.730 -0.150 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.750 3.523 2.044 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.906 2.599 -0.598 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.802 0.409 -0.219 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.601 1.699 -0.465 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.930 1.091 1.174 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -6.967 0.913 0.898 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.100 1.608 2.289 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -7.334 2.568 1.439 1.00 0.00 H new ATOM 139 N GLU A 8 -3.491 4.188 -0.950 1.00 0.00 N ATOM 140 CA GLU A 8 -2.198 4.480 -1.632 1.00 0.00 C ATOM 141 C GLU A 8 -1.411 5.510 -0.819 1.00 0.00 C ATOM 142 O GLU A 8 -0.215 5.394 -0.642 1.00 0.00 O ATOM 143 CB GLU A 8 -2.476 5.038 -3.030 1.00 0.00 C ATOM 144 CG GLU A 8 -3.239 6.359 -2.912 1.00 0.00 C ATOM 145 CD GLU A 8 -3.800 6.750 -4.281 1.00 0.00 C ATOM 146 OE1 GLU A 8 -3.711 5.940 -5.189 1.00 0.00 O ATOM 147 OE2 GLU A 8 -4.310 7.852 -4.398 1.00 0.00 O ATOM 0 H GLU A 8 -4.311 4.190 -1.557 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.615 3.563 -1.714 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.538 5.194 -3.563 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.057 4.321 -3.610 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.050 6.259 -2.190 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.577 7.142 -2.542 1.00 0.00 H new ATOM 154 N GLN A 9 -2.074 6.518 -0.326 1.00 0.00 N ATOM 155 CA GLN A 9 -1.370 7.558 0.472 1.00 0.00 C ATOM 156 C GLN A 9 -0.780 6.929 1.737 1.00 0.00 C ATOM 157 O GLN A 9 0.376 7.123 2.057 1.00 0.00 O ATOM 158 CB GLN A 9 -2.364 8.654 0.864 1.00 0.00 C ATOM 159 CG GLN A 9 -1.700 9.619 1.847 1.00 0.00 C ATOM 160 CD GLN A 9 -1.639 11.016 1.227 1.00 0.00 C ATOM 161 OE1 GLN A 9 -2.427 11.346 0.363 1.00 0.00 O ATOM 162 NE2 GLN A 9 -0.729 11.859 1.636 1.00 0.00 N ATOM 0 H GLN A 9 -3.076 6.666 -0.442 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.565 7.988 -0.124 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -2.695 9.193 -0.023 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -3.251 8.210 1.317 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -2.262 9.648 2.781 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -0.695 9.273 2.090 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -0.067 11.583 2.361 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -0.680 12.794 1.230 1.00 0.00 H new ATOM 171 N GLU A 10 -1.567 6.182 2.461 1.00 0.00 N ATOM 172 CA GLU A 10 -1.055 5.545 3.707 1.00 0.00 C ATOM 173 C GLU A 10 0.200 4.725 3.395 1.00 0.00 C ATOM 174 O GLU A 10 1.124 4.662 4.182 1.00 0.00 O ATOM 175 CB GLU A 10 -2.134 4.627 4.286 1.00 0.00 C ATOM 176 CG GLU A 10 -2.605 5.177 5.634 1.00 0.00 C ATOM 177 CD GLU A 10 -1.884 4.443 6.766 1.00 0.00 C ATOM 178 OE1 GLU A 10 -2.082 3.246 6.889 1.00 0.00 O ATOM 179 OE2 GLU A 10 -1.146 5.090 7.491 1.00 0.00 O ATOM 0 H GLU A 10 -2.544 5.985 2.243 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.804 6.320 4.431 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.975 4.557 3.596 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.739 3.619 4.411 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.402 6.246 5.693 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.683 5.051 5.733 1.00 0.00 H new ATOM 186 N LEU A 11 0.240 4.089 2.257 1.00 0.00 N ATOM 187 CA LEU A 11 1.429 3.269 1.901 1.00 0.00 C ATOM 188 C LEU A 11 2.607 4.180 1.544 1.00 0.00 C ATOM 189 O LEU A 11 3.750 3.858 1.799 1.00 0.00 O ATOM 190 CB LEU A 11 1.093 2.377 0.703 1.00 0.00 C ATOM 191 CG LEU A 11 0.011 1.371 1.103 1.00 0.00 C ATOM 192 CD1 LEU A 11 -0.688 0.846 -0.153 1.00 0.00 C ATOM 193 CD2 LEU A 11 0.655 0.204 1.853 1.00 0.00 C ATOM 0 H LEU A 11 -0.502 4.103 1.557 1.00 0.00 H new ATOM 0 HA LEU A 11 1.703 2.649 2.755 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.747 2.986 -0.132 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.986 1.851 0.366 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.720 1.860 1.747 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.458 0.130 0.132 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.146 1.677 -0.689 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.042 0.357 -0.798 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.114 -0.514 2.139 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.385 -0.284 1.208 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.153 0.577 2.748 1.00 0.00 H new ATOM 205 N GLN A 12 2.340 5.312 0.949 1.00 0.00 N ATOM 206 CA GLN A 12 3.449 6.235 0.569 1.00 0.00 C ATOM 207 C GLN A 12 4.161 6.743 1.827 1.00 0.00 C ATOM 208 O GLN A 12 5.339 7.040 1.805 1.00 0.00 O ATOM 209 CB GLN A 12 2.879 7.426 -0.205 1.00 0.00 C ATOM 210 CG GLN A 12 3.781 7.738 -1.401 1.00 0.00 C ATOM 211 CD GLN A 12 4.366 9.144 -1.248 1.00 0.00 C ATOM 212 OE1 GLN A 12 5.539 9.300 -0.971 1.00 0.00 O ATOM 213 NE2 GLN A 12 3.593 10.182 -1.419 1.00 0.00 N ATOM 0 H GLN A 12 1.403 5.637 0.710 1.00 0.00 H new ATOM 0 HA GLN A 12 4.162 5.697 -0.055 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.869 7.201 -0.547 1.00 0.00 H new ATOM 0 HB3 GLN A 12 2.808 8.297 0.447 1.00 0.00 H new ATOM 0 HG2 GLN A 12 4.584 7.004 -1.465 1.00 0.00 H new ATOM 0 HG3 GLN A 12 3.211 7.669 -2.327 1.00 0.00 H new ATOM 0 HE21 GLN A 12 2.608 10.052 -1.652 1.00 0.00 H new ATOM 0 HE22 GLN A 12 3.974 11.123 -1.320 1.00 0.00 H new ATOM 222 N ALA A 13 3.457 6.854 2.921 1.00 0.00 N ATOM 223 CA ALA A 13 4.096 7.350 4.171 1.00 0.00 C ATOM 224 C ALA A 13 5.216 6.397 4.597 1.00 0.00 C ATOM 225 O ALA A 13 6.354 6.793 4.754 1.00 0.00 O ATOM 226 CB ALA A 13 3.042 7.425 5.276 1.00 0.00 C ATOM 0 H ALA A 13 2.467 6.622 3.002 1.00 0.00 H new ATOM 0 HA ALA A 13 4.518 8.339 3.995 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.503 7.788 6.195 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.247 8.108 4.975 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.623 6.433 5.447 1.00 0.00 H new ATOM 232 N LEU A 14 4.902 5.145 4.789 1.00 0.00 N ATOM 233 CA LEU A 14 5.949 4.171 5.210 1.00 0.00 C ATOM 234 C LEU A 14 6.871 3.865 4.028 1.00 0.00 C ATOM 235 O LEU A 14 7.917 3.268 4.184 1.00 0.00 O ATOM 236 CB LEU A 14 5.280 2.878 5.681 1.00 0.00 C ATOM 237 CG LEU A 14 4.467 3.156 6.944 1.00 0.00 C ATOM 238 CD1 LEU A 14 2.977 2.988 6.640 1.00 0.00 C ATOM 239 CD2 LEU A 14 4.876 2.169 8.039 1.00 0.00 C ATOM 0 H LEU A 14 3.967 4.755 4.673 1.00 0.00 H new ATOM 0 HA LEU A 14 6.534 4.598 6.024 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.632 2.485 4.898 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.035 2.118 5.882 1.00 0.00 H new ATOM 0 HG LEU A 14 4.657 4.175 7.281 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.397 3.186 7.541 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.684 3.689 5.858 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.787 1.969 6.303 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.297 2.366 8.941 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.685 1.151 7.701 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.938 2.286 8.257 1.00 0.00 H new ATOM 251 N GLU A 15 6.492 4.267 2.847 1.00 0.00 N ATOM 252 CA GLU A 15 7.349 3.995 1.659 1.00 0.00 C ATOM 253 C GLU A 15 8.245 5.205 1.390 1.00 0.00 C ATOM 254 O GLU A 15 9.181 5.137 0.617 1.00 0.00 O ATOM 255 CB GLU A 15 6.461 3.732 0.441 1.00 0.00 C ATOM 256 CG GLU A 15 5.759 2.382 0.605 1.00 0.00 C ATOM 257 CD GLU A 15 6.502 1.317 -0.202 1.00 0.00 C ATOM 258 OE1 GLU A 15 6.552 1.449 -1.414 1.00 0.00 O ATOM 259 OE2 GLU A 15 7.011 0.389 0.405 1.00 0.00 O ATOM 0 H GLU A 15 5.627 4.772 2.653 1.00 0.00 H new ATOM 0 HA GLU A 15 7.971 3.120 1.849 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.723 4.528 0.337 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.062 3.734 -0.468 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.730 2.101 1.658 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.726 2.454 0.266 1.00 0.00 H new ATOM 266 N ALA A 16 7.969 6.312 2.023 1.00 0.00 N ATOM 267 CA ALA A 16 8.807 7.524 1.804 1.00 0.00 C ATOM 268 C ALA A 16 10.276 7.183 2.066 1.00 0.00 C ATOM 269 O ALA A 16 11.149 7.520 1.292 1.00 0.00 O ATOM 270 CB ALA A 16 8.362 8.633 2.760 1.00 0.00 C ATOM 0 H ALA A 16 7.200 6.429 2.682 1.00 0.00 H new ATOM 0 HA ALA A 16 8.691 7.864 0.775 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.975 9.520 2.599 1.00 0.00 H new ATOM 0 HB2 ALA A 16 7.316 8.877 2.573 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.477 8.294 3.789 1.00 0.00 H new ATOM 276 N ARG A 17 10.554 6.516 3.153 1.00 0.00 N ATOM 277 CA ARG A 17 11.966 6.154 3.464 1.00 0.00 C ATOM 278 C ARG A 17 11.985 4.945 4.401 1.00 0.00 C ATOM 279 O ARG A 17 12.401 5.035 5.539 1.00 0.00 O ATOM 280 CB ARG A 17 12.659 7.337 4.143 1.00 0.00 C ATOM 281 CG ARG A 17 14.140 7.352 3.757 1.00 0.00 C ATOM 282 CD ARG A 17 14.975 7.834 4.945 1.00 0.00 C ATOM 283 NE ARG A 17 16.378 8.071 4.502 1.00 0.00 N ATOM 284 CZ ARG A 17 17.370 7.803 5.306 1.00 0.00 C ATOM 285 NH1 ARG A 17 17.542 6.588 5.748 1.00 0.00 N ATOM 286 NH2 ARG A 17 18.190 8.751 5.669 1.00 0.00 N ATOM 0 H ARG A 17 9.865 6.206 3.838 1.00 0.00 H new ATOM 0 HA ARG A 17 12.491 5.908 2.541 1.00 0.00 H new ATOM 0 HB2 ARG A 17 12.185 8.271 3.843 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.555 7.260 5.225 1.00 0.00 H new ATOM 0 HG2 ARG A 17 14.458 6.354 3.457 1.00 0.00 H new ATOM 0 HG3 ARG A 17 14.296 8.007 2.900 1.00 0.00 H new ATOM 0 HD2 ARG A 17 14.551 8.752 5.353 1.00 0.00 H new ATOM 0 HD3 ARG A 17 14.955 7.092 5.743 1.00 0.00 H new ATOM 0 HE ARG A 17 16.563 8.443 3.570 1.00 0.00 H new ATOM 0 HH11 ARG A 17 16.901 5.847 5.465 1.00 0.00 H new ATOM 0 HH12 ARG A 17 18.318 6.379 6.377 1.00 0.00 H new ATOM 0 HH21 ARG A 17 18.055 9.701 5.324 1.00 0.00 H new ATOM 0 HH22 ARG A 17 18.966 8.542 6.298 1.00 0.00 H new ATOM 300 N GLY A 18 11.535 3.813 3.931 1.00 0.00 N ATOM 301 CA GLY A 18 11.523 2.597 4.794 1.00 0.00 C ATOM 302 C GLY A 18 12.839 1.834 4.628 1.00 0.00 C ATOM 303 O GLY A 18 12.861 0.621 4.566 1.00 0.00 O ATOM 0 H GLY A 18 11.175 3.678 2.986 1.00 0.00 H new ATOM 0 HA2 GLY A 18 11.385 2.881 5.837 1.00 0.00 H new ATOM 0 HA3 GLY A 18 10.683 1.956 4.525 1.00 0.00 H new ATOM 307 N THR A 19 13.937 2.535 4.559 1.00 0.00 N ATOM 308 CA THR A 19 15.250 1.848 4.401 1.00 0.00 C ATOM 309 C THR A 19 15.152 0.803 3.287 1.00 0.00 C ATOM 310 O THR A 19 15.079 -0.383 3.540 1.00 0.00 O ATOM 311 CB THR A 19 15.628 1.161 5.716 1.00 0.00 C ATOM 312 OG1 THR A 19 14.605 0.243 6.079 1.00 0.00 O ATOM 313 CG2 THR A 19 15.787 2.213 6.815 1.00 0.00 C ATOM 0 H THR A 19 13.982 3.553 4.605 1.00 0.00 H new ATOM 0 HA THR A 19 16.014 2.581 4.142 1.00 0.00 H new ATOM 0 HB THR A 19 16.569 0.626 5.591 1.00 0.00 H new ATOM 0 HG1 THR A 19 14.090 -0.004 5.283 1.00 0.00 H new ATOM 0 HG21 THR A 19 16.056 1.724 7.751 1.00 0.00 H new ATOM 0 HG22 THR A 19 16.571 2.916 6.535 1.00 0.00 H new ATOM 0 HG23 THR A 19 14.847 2.750 6.943 1.00 0.00 H new ATOM 321 N ASP A 20 15.152 1.233 2.055 1.00 0.00 N ATOM 322 CA ASP A 20 15.063 0.265 0.925 1.00 0.00 C ATOM 323 C ASP A 20 13.626 -0.245 0.794 1.00 0.00 C ATOM 324 O ASP A 20 13.379 -1.434 0.772 1.00 0.00 O ATOM 325 CB ASP A 20 16.001 -0.915 1.189 1.00 0.00 C ATOM 326 CG ASP A 20 16.555 -1.434 -0.140 1.00 0.00 C ATOM 327 OD1 ASP A 20 17.118 -0.640 -0.875 1.00 0.00 O ATOM 328 OD2 ASP A 20 16.407 -2.617 -0.400 1.00 0.00 O ATOM 0 H ASP A 20 15.210 2.214 1.782 1.00 0.00 H new ATOM 0 HA ASP A 20 15.354 0.763 0.000 1.00 0.00 H new ATOM 0 HB2 ASP A 20 16.819 -0.605 1.840 1.00 0.00 H new ATOM 0 HB3 ASP A 20 15.465 -1.710 1.707 1.00 0.00 H new ATOM 333 N SER A 21 12.676 0.645 0.706 1.00 0.00 N ATOM 334 CA SER A 21 11.261 0.213 0.576 1.00 0.00 C ATOM 335 C SER A 21 10.871 0.166 -0.903 1.00 0.00 C ATOM 336 O SER A 21 9.707 0.204 -1.248 1.00 0.00 O ATOM 337 CB SER A 21 10.356 1.202 1.311 1.00 0.00 C ATOM 338 OG SER A 21 9.698 0.531 2.377 1.00 0.00 O ATOM 0 H SER A 21 12.822 1.654 0.719 1.00 0.00 H new ATOM 0 HA SER A 21 11.145 -0.779 1.012 1.00 0.00 H new ATOM 0 HB2 SER A 21 10.945 2.034 1.698 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.623 1.623 0.623 1.00 0.00 H new ATOM 0 HG SER A 21 9.118 1.162 2.852 1.00 0.00 H new ATOM 344 N ASN A 22 11.834 0.084 -1.780 1.00 0.00 N ATOM 345 CA ASN A 22 11.513 0.035 -3.235 1.00 0.00 C ATOM 346 C ASN A 22 11.384 -1.422 -3.679 1.00 0.00 C ATOM 347 O ASN A 22 11.572 -1.750 -4.833 1.00 0.00 O ATOM 348 CB ASN A 22 12.631 0.713 -4.029 1.00 0.00 C ATOM 349 CG ASN A 22 12.078 1.212 -5.366 1.00 0.00 C ATOM 350 OD1 ASN A 22 11.279 0.545 -5.993 1.00 0.00 O ATOM 351 ND2 ASN A 22 12.473 2.365 -5.832 1.00 0.00 N ATOM 0 H ASN A 22 12.828 0.049 -1.553 1.00 0.00 H new ATOM 0 HA ASN A 22 10.573 0.556 -3.417 1.00 0.00 H new ATOM 0 HB2 ASN A 22 13.042 1.547 -3.459 1.00 0.00 H new ATOM 0 HB3 ASN A 22 13.447 0.011 -4.200 1.00 0.00 H new ATOM 0 HD21 ASN A 22 12.111 2.706 -6.722 1.00 0.00 H new ATOM 0 HD22 ASN A 22 13.144 2.925 -5.306 1.00 0.00 H new ATOM 358 N ALA A 23 11.067 -2.298 -2.768 1.00 0.00 N ATOM 359 CA ALA A 23 10.927 -3.731 -3.128 1.00 0.00 C ATOM 360 C ALA A 23 9.553 -4.235 -2.683 1.00 0.00 C ATOM 361 O ALA A 23 8.858 -4.908 -3.418 1.00 0.00 O ATOM 362 CB ALA A 23 12.019 -4.533 -2.424 1.00 0.00 C ATOM 0 H ALA A 23 10.899 -2.080 -1.786 1.00 0.00 H new ATOM 0 HA ALA A 23 11.023 -3.851 -4.207 1.00 0.00 H new ATOM 0 HB1 ALA A 23 11.922 -5.587 -2.684 1.00 0.00 H new ATOM 0 HB2 ALA A 23 12.997 -4.170 -2.739 1.00 0.00 H new ATOM 0 HB3 ALA A 23 11.919 -4.415 -1.345 1.00 0.00 H new ATOM 368 N GLU A 24 9.156 -3.913 -1.482 1.00 0.00 N ATOM 369 CA GLU A 24 7.830 -4.371 -0.988 1.00 0.00 C ATOM 370 C GLU A 24 6.731 -3.827 -1.903 1.00 0.00 C ATOM 371 O GLU A 24 5.604 -4.281 -1.874 1.00 0.00 O ATOM 372 CB GLU A 24 7.612 -3.856 0.436 1.00 0.00 C ATOM 373 CG GLU A 24 8.151 -4.882 1.437 1.00 0.00 C ATOM 374 CD GLU A 24 7.033 -5.320 2.387 1.00 0.00 C ATOM 375 OE1 GLU A 24 5.938 -4.796 2.267 1.00 0.00 O ATOM 376 OE2 GLU A 24 7.293 -6.173 3.219 1.00 0.00 O ATOM 0 H GLU A 24 9.695 -3.352 -0.822 1.00 0.00 H new ATOM 0 HA GLU A 24 7.796 -5.460 -0.989 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.118 -2.900 0.570 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.551 -3.682 0.613 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.549 -5.747 0.906 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.975 -4.450 2.005 1.00 0.00 H new ATOM 383 N LEU A 25 7.051 -2.857 -2.716 1.00 0.00 N ATOM 384 CA LEU A 25 6.027 -2.283 -3.633 1.00 0.00 C ATOM 385 C LEU A 25 5.232 -3.416 -4.286 1.00 0.00 C ATOM 386 O LEU A 25 4.071 -3.265 -4.610 1.00 0.00 O ATOM 387 CB LEU A 25 6.719 -1.455 -4.718 1.00 0.00 C ATOM 388 CG LEU A 25 7.304 -0.185 -4.097 1.00 0.00 C ATOM 389 CD1 LEU A 25 8.436 0.341 -4.980 1.00 0.00 C ATOM 390 CD2 LEU A 25 6.209 0.878 -3.987 1.00 0.00 C ATOM 0 H LEU A 25 7.978 -2.437 -2.784 1.00 0.00 H new ATOM 0 HA LEU A 25 5.350 -1.645 -3.065 1.00 0.00 H new ATOM 0 HB2 LEU A 25 7.510 -2.040 -5.188 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.007 -1.195 -5.501 1.00 0.00 H new ATOM 0 HG LEU A 25 7.693 -0.412 -3.105 1.00 0.00 H new ATOM 0 HD11 LEU A 25 8.852 1.246 -4.537 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.216 -0.416 -5.061 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.047 0.569 -5.973 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.624 1.784 -3.545 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.821 1.104 -4.980 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.401 0.504 -3.358 1.00 0.00 H new ATOM 402 N ARG A 26 5.848 -4.551 -4.483 1.00 0.00 N ATOM 403 CA ARG A 26 5.125 -5.691 -5.115 1.00 0.00 C ATOM 404 C ARG A 26 4.080 -6.238 -4.141 1.00 0.00 C ATOM 405 O ARG A 26 2.936 -6.444 -4.493 1.00 0.00 O ATOM 406 CB ARG A 26 6.123 -6.799 -5.462 1.00 0.00 C ATOM 407 CG ARG A 26 7.042 -6.326 -6.590 1.00 0.00 C ATOM 408 CD ARG A 26 6.204 -5.981 -7.822 1.00 0.00 C ATOM 409 NE ARG A 26 5.868 -4.530 -7.802 1.00 0.00 N ATOM 410 CZ ARG A 26 6.818 -3.641 -7.698 1.00 0.00 C ATOM 411 NH1 ARG A 26 8.062 -3.990 -7.883 1.00 0.00 N ATOM 412 NH2 ARG A 26 6.525 -2.403 -7.406 1.00 0.00 N ATOM 0 H ARG A 26 6.819 -4.737 -4.234 1.00 0.00 H new ATOM 0 HA ARG A 26 4.631 -5.346 -6.023 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.713 -7.059 -4.583 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.590 -7.700 -5.767 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.611 -5.453 -6.268 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.764 -7.105 -6.835 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.755 -6.225 -8.730 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.291 -6.577 -7.833 1.00 0.00 H new ATOM 0 HE ARG A 26 4.895 -4.231 -7.870 1.00 0.00 H new ATOM 0 HH11 ARG A 26 8.292 -4.958 -8.109 1.00 0.00 H new ATOM 0 HH12 ARG A 26 8.804 -3.295 -7.802 1.00 0.00 H new ATOM 0 HH21 ARG A 26 5.553 -2.130 -7.259 1.00 0.00 H new ATOM 0 HH22 ARG A 26 7.268 -1.709 -7.325 1.00 0.00 H new ATOM 426 N ALA A 27 4.466 -6.478 -2.918 1.00 0.00 N ATOM 427 CA ALA A 27 3.499 -7.013 -1.921 1.00 0.00 C ATOM 428 C ALA A 27 2.344 -6.026 -1.739 1.00 0.00 C ATOM 429 O ALA A 27 1.324 -6.350 -1.164 1.00 0.00 O ATOM 430 CB ALA A 27 4.210 -7.214 -0.581 1.00 0.00 C ATOM 0 H ALA A 27 5.411 -6.326 -2.566 1.00 0.00 H new ATOM 0 HA ALA A 27 3.107 -7.966 -2.276 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.503 -7.606 0.151 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.031 -7.920 -0.707 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.603 -6.259 -0.231 1.00 0.00 H new ATOM 436 N MET A 28 2.497 -4.823 -2.220 1.00 0.00 N ATOM 437 CA MET A 28 1.409 -3.815 -2.070 1.00 0.00 C ATOM 438 C MET A 28 0.160 -4.286 -2.818 1.00 0.00 C ATOM 439 O MET A 28 -0.949 -4.138 -2.346 1.00 0.00 O ATOM 440 CB MET A 28 1.874 -2.478 -2.650 1.00 0.00 C ATOM 441 CG MET A 28 0.929 -1.366 -2.192 1.00 0.00 C ATOM 442 SD MET A 28 1.527 0.226 -2.812 1.00 0.00 S ATOM 443 CE MET A 28 0.333 0.409 -4.159 1.00 0.00 C ATOM 0 H MET A 28 3.329 -4.494 -2.711 1.00 0.00 H new ATOM 0 HA MET A 28 1.172 -3.695 -1.013 1.00 0.00 H new ATOM 0 HB2 MET A 28 2.891 -2.262 -2.324 1.00 0.00 H new ATOM 0 HB3 MET A 28 1.892 -2.529 -3.739 1.00 0.00 H new ATOM 0 HG2 MET A 28 -0.079 -1.556 -2.560 1.00 0.00 H new ATOM 0 HG3 MET A 28 0.873 -1.347 -1.104 1.00 0.00 H new ATOM 0 HE1 MET A 28 0.521 1.344 -4.688 1.00 0.00 H new ATOM 0 HE2 MET A 28 0.435 -0.426 -4.852 1.00 0.00 H new ATOM 0 HE3 MET A 28 -0.677 0.420 -3.750 1.00 0.00 H new ATOM 453 N GLU A 29 0.330 -4.846 -3.984 1.00 0.00 N ATOM 454 CA GLU A 29 -0.850 -5.319 -4.763 1.00 0.00 C ATOM 455 C GLU A 29 -1.658 -6.316 -3.927 1.00 0.00 C ATOM 456 O GLU A 29 -2.865 -6.222 -3.829 1.00 0.00 O ATOM 457 CB GLU A 29 -0.372 -6.002 -6.047 1.00 0.00 C ATOM 458 CG GLU A 29 -0.963 -5.279 -7.259 1.00 0.00 C ATOM 459 CD GLU A 29 0.099 -5.165 -8.354 1.00 0.00 C ATOM 460 OE1 GLU A 29 0.940 -4.287 -8.248 1.00 0.00 O ATOM 461 OE2 GLU A 29 0.053 -5.957 -9.281 1.00 0.00 O ATOM 0 H GLU A 29 1.234 -4.997 -4.431 1.00 0.00 H new ATOM 0 HA GLU A 29 -1.480 -4.466 -5.014 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.717 -5.987 -6.096 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.677 -7.049 -6.050 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.830 -5.824 -7.634 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.310 -4.287 -6.970 1.00 0.00 H new ATOM 468 N ALA A 30 -1.003 -7.273 -3.329 1.00 0.00 N ATOM 469 CA ALA A 30 -1.730 -8.279 -2.510 1.00 0.00 C ATOM 470 C ALA A 30 -2.335 -7.609 -1.272 1.00 0.00 C ATOM 471 O ALA A 30 -3.419 -7.949 -0.840 1.00 0.00 O ATOM 472 CB ALA A 30 -0.749 -9.367 -2.073 1.00 0.00 C ATOM 0 H ALA A 30 0.008 -7.400 -3.374 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.533 -8.718 -3.103 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.273 -10.110 -1.472 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.323 -9.848 -2.954 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.050 -8.920 -1.482 1.00 0.00 H new ATOM 478 N LYS A 31 -1.641 -6.669 -0.692 1.00 0.00 N ATOM 479 CA LYS A 31 -2.173 -5.990 0.522 1.00 0.00 C ATOM 480 C LYS A 31 -3.459 -5.233 0.178 1.00 0.00 C ATOM 481 O LYS A 31 -4.355 -5.116 0.990 1.00 0.00 O ATOM 482 CB LYS A 31 -1.130 -5.006 1.054 1.00 0.00 C ATOM 483 CG LYS A 31 -0.402 -5.631 2.246 1.00 0.00 C ATOM 484 CD LYS A 31 1.106 -5.621 1.986 1.00 0.00 C ATOM 485 CE LYS A 31 1.779 -4.611 2.917 1.00 0.00 C ATOM 486 NZ LYS A 31 2.822 -3.860 2.164 1.00 0.00 N ATOM 0 H LYS A 31 -0.728 -6.342 -1.007 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.392 -6.739 1.283 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.417 -4.756 0.269 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.612 -4.076 1.355 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.628 -5.075 3.156 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.748 -6.653 2.402 1.00 0.00 H new ATOM 0 HD2 LYS A 31 1.521 -6.616 2.151 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.305 -5.361 0.946 1.00 0.00 H new ATOM 0 HE2 LYS A 31 1.038 -3.921 3.319 1.00 0.00 H new ATOM 0 HE3 LYS A 31 2.228 -5.126 3.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.064 -2.990 2.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.672 -4.451 2.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.460 -3.614 1.221 1.00 0.00 H new ATOM 500 N LEU A 32 -3.557 -4.713 -1.014 1.00 0.00 N ATOM 501 CA LEU A 32 -4.785 -3.961 -1.398 1.00 0.00 C ATOM 502 C LEU A 32 -6.019 -4.834 -1.158 1.00 0.00 C ATOM 503 O LEU A 32 -6.901 -4.483 -0.399 1.00 0.00 O ATOM 504 CB LEU A 32 -4.710 -3.580 -2.878 1.00 0.00 C ATOM 505 CG LEU A 32 -4.408 -2.086 -3.004 1.00 0.00 C ATOM 506 CD1 LEU A 32 -3.134 -1.892 -3.829 1.00 0.00 C ATOM 507 CD2 LEU A 32 -5.577 -1.387 -3.702 1.00 0.00 C ATOM 0 H LEU A 32 -2.841 -4.776 -1.738 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.858 -3.057 -0.793 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.934 -4.162 -3.376 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.652 -3.815 -3.373 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.268 -1.658 -2.011 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.918 -0.828 -3.920 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.301 -2.391 -3.334 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.275 -2.319 -4.822 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.363 -0.322 -3.792 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.716 -1.815 -4.695 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.486 -1.526 -3.117 1.00 0.00 H new ATOM 519 N LYS A 33 -6.091 -5.967 -1.800 1.00 0.00 N ATOM 520 CA LYS A 33 -7.268 -6.858 -1.611 1.00 0.00 C ATOM 521 C LYS A 33 -7.383 -7.256 -0.138 1.00 0.00 C ATOM 522 O LYS A 33 -8.429 -7.668 0.324 1.00 0.00 O ATOM 523 CB LYS A 33 -7.093 -8.116 -2.465 1.00 0.00 C ATOM 524 CG LYS A 33 -8.436 -8.504 -3.086 1.00 0.00 C ATOM 525 CD LYS A 33 -8.450 -10.008 -3.364 1.00 0.00 C ATOM 526 CE LYS A 33 -7.330 -10.356 -4.346 1.00 0.00 C ATOM 527 NZ LYS A 33 -7.888 -10.437 -5.726 1.00 0.00 N ATOM 0 H LYS A 33 -5.384 -6.314 -2.448 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.173 -6.331 -1.914 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.357 -7.937 -3.248 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.714 -8.934 -1.852 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -9.251 -8.240 -2.412 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.595 -7.950 -4.011 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -8.318 -10.562 -2.434 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -9.415 -10.303 -3.777 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.546 -9.600 -4.303 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.872 -11.306 -4.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.127 -10.674 -6.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.621 -11.173 -5.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.305 -9.520 -5.986 1.00 0.00 H new ATOM 541 N ALA A 34 -6.316 -7.141 0.604 1.00 0.00 N ATOM 542 CA ALA A 34 -6.367 -7.517 2.045 1.00 0.00 C ATOM 543 C ALA A 34 -7.270 -6.541 2.802 1.00 0.00 C ATOM 544 O ALA A 34 -7.932 -6.903 3.754 1.00 0.00 O ATOM 545 CB ALA A 34 -4.956 -7.468 2.635 1.00 0.00 C ATOM 0 H ALA A 34 -5.412 -6.803 0.275 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.768 -8.526 2.140 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.993 -7.743 3.689 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.313 -8.167 2.100 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.555 -6.459 2.537 1.00 0.00 H new ATOM 551 N GLU A 35 -7.299 -5.304 2.389 1.00 0.00 N ATOM 552 CA GLU A 35 -8.155 -4.305 3.086 1.00 0.00 C ATOM 553 C GLU A 35 -9.557 -4.306 2.471 1.00 0.00 C ATOM 554 O GLU A 35 -10.532 -4.618 3.125 1.00 0.00 O ATOM 555 CB GLU A 35 -7.537 -2.914 2.940 1.00 0.00 C ATOM 556 CG GLU A 35 -6.475 -2.710 4.023 1.00 0.00 C ATOM 557 CD GLU A 35 -6.320 -1.215 4.311 1.00 0.00 C ATOM 558 OE1 GLU A 35 -5.836 -0.511 3.440 1.00 0.00 O ATOM 559 OE2 GLU A 35 -6.688 -0.801 5.398 1.00 0.00 O ATOM 0 H GLU A 35 -6.766 -4.942 1.598 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.224 -4.565 4.142 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.089 -2.805 1.952 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.310 -2.150 3.026 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.761 -3.239 4.932 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.523 -3.129 3.697 1.00 0.00 H new ATOM 566 N ILE A 36 -9.667 -3.953 1.218 1.00 0.00 N ATOM 567 CA ILE A 36 -11.008 -3.928 0.567 1.00 0.00 C ATOM 568 C ILE A 36 -11.739 -5.242 0.845 1.00 0.00 C ATOM 569 O ILE A 36 -12.944 -5.273 0.999 1.00 0.00 O ATOM 570 CB ILE A 36 -10.842 -3.750 -0.943 1.00 0.00 C ATOM 571 CG1 ILE A 36 -9.572 -4.466 -1.405 1.00 0.00 C ATOM 572 CG2 ILE A 36 -10.735 -2.260 -1.274 1.00 0.00 C ATOM 573 CD1 ILE A 36 -9.685 -4.794 -2.895 1.00 0.00 C ATOM 0 H ILE A 36 -8.888 -3.681 0.619 1.00 0.00 H new ATOM 0 HA ILE A 36 -11.587 -3.097 0.970 1.00 0.00 H new ATOM 0 HB ILE A 36 -11.706 -4.175 -1.454 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.701 -3.836 -1.225 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -9.428 -5.381 -0.830 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.617 -2.134 -2.350 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -11.640 -1.749 -0.946 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.872 -1.835 -0.762 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -8.780 -5.304 -3.225 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -10.547 -5.440 -3.061 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.809 -3.871 -3.462 1.00 0.00 H new ATOM 585 N GLN A 37 -11.021 -6.327 0.910 1.00 0.00 N ATOM 586 CA GLN A 37 -11.675 -7.638 1.177 1.00 0.00 C ATOM 587 C GLN A 37 -12.675 -7.482 2.325 1.00 0.00 C ATOM 588 O GLN A 37 -13.865 -7.655 2.152 1.00 0.00 O ATOM 589 CB GLN A 37 -10.613 -8.671 1.558 1.00 0.00 C ATOM 590 CG GLN A 37 -10.244 -9.499 0.325 1.00 0.00 C ATOM 591 CD GLN A 37 -11.424 -10.392 -0.062 1.00 0.00 C ATOM 592 OE1 GLN A 37 -12.546 -10.137 0.328 1.00 0.00 O ATOM 593 NE2 GLN A 37 -11.218 -11.434 -0.819 1.00 0.00 N ATOM 0 H GLN A 37 -10.009 -6.363 0.790 1.00 0.00 H new ATOM 0 HA GLN A 37 -12.199 -7.973 0.282 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -9.728 -8.171 1.952 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -10.989 -9.322 2.347 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -9.985 -8.841 -0.504 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -9.365 -10.109 0.533 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -10.276 -11.648 -1.147 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -11.999 -12.035 -1.083 1.00 0.00 H new ATOM 602 N LYS A 38 -12.202 -7.155 3.497 1.00 0.00 N ATOM 603 CA LYS A 38 -13.124 -6.989 4.651 1.00 0.00 C ATOM 604 C LYS A 38 -13.918 -5.691 4.487 1.00 0.00 C ATOM 605 O LYS A 38 -13.772 -4.773 5.270 1.00 0.00 O ATOM 606 CB LYS A 38 -12.315 -6.932 5.948 1.00 0.00 C ATOM 607 CG LYS A 38 -11.843 -8.340 6.316 1.00 0.00 C ATOM 608 CD LYS A 38 -10.438 -8.570 5.758 1.00 0.00 C ATOM 609 CE LYS A 38 -9.577 -9.268 6.812 1.00 0.00 C ATOM 610 NZ LYS A 38 -8.161 -9.310 6.350 1.00 0.00 N ATOM 0 H LYS A 38 -11.216 -6.996 3.703 1.00 0.00 H new ATOM 0 HA LYS A 38 -13.812 -7.834 4.690 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.458 -6.270 5.826 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.925 -6.519 6.752 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.840 -8.462 7.399 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.532 -9.083 5.913 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -10.489 -9.178 4.855 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -9.987 -7.618 5.477 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.645 -8.737 7.762 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.944 -10.280 6.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.576 -9.785 7.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.104 -9.834 5.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.814 -8.340 6.206 1.00 0.00 H new