USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 676 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 7 SER OG : rot 180:sc= -0.0538 USER MOD Set 1.2: A 56 GLN : amide:sc= -0.103 K(o=-0.16,f=-0.96) USER MOD Single : A 5 LYS NZ :NH3+ -133:sc= -0.0949 (180deg=-1.95!) USER MOD Single : A 6 SER OG : rot 61:sc= 0.649 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot -152:sc= 0.0145 USER MOD Single : A 21 MET CE :methyl 155:sc= -4.22 (180deg=-5.91!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -81:sc= 1.21 USER MOD Single : A 32 GLN : amide:sc= -0.44 K(o=-0.44,f=-3.2!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -120:sc=-0.00301 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -2.5 X(o=-2.5,f=-2.3) USER MOD Single : A 57 CYS SG : rot 83:sc= -2.64! USER MOD Single : A 63 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.328) USER MOD Single : A 66 THR OG1 : rot 18:sc= -1.41! USER MOD Single : A 68 MET CE :methyl -129:sc= -1.42 (180deg=-2.35) USER MOD Single : A 72 GLN : amide:sc= -0.325 K(o=-0.32,f=-2.5!) USER MOD Single : A 74 THR OG1 : rot -39:sc= 0.289 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.227 K(o=-0.23,f=-3.3!) USER MOD Single : A 82 SER OG : rot 18:sc= 0.238 USER MOD Single : A 83 MET CE :methyl 160:sc= -3.31 (180deg=-4.55!) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 65 N LYS A 5 7.606 -0.172 -0.283 1.00 0.00 N ATOM 66 CA LYS A 5 6.333 -0.759 0.099 1.00 0.00 C ATOM 67 C LYS A 5 5.647 -1.330 -1.144 1.00 0.00 C ATOM 68 O LYS A 5 6.123 -1.140 -2.262 1.00 0.00 O ATOM 69 CB LYS A 5 5.479 0.259 0.858 1.00 0.00 C ATOM 70 CG LYS A 5 5.971 0.420 2.298 1.00 0.00 C ATOM 71 CD LYS A 5 5.124 -0.412 3.264 1.00 0.00 C ATOM 72 CE LYS A 5 4.579 0.455 4.400 1.00 0.00 C ATOM 73 NZ LYS A 5 3.599 1.435 3.882 1.00 0.00 N ATOM 0 HA LYS A 5 6.488 -1.588 0.789 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.514 1.222 0.348 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.438 -0.063 0.859 1.00 0.00 H new ATOM 0 HG2 LYS A 5 7.014 0.112 2.366 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.929 1.471 2.585 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.297 -0.873 2.724 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.726 -1.222 3.676 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.107 -0.177 5.153 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.399 0.978 4.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.810 2.376 4.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 3.658 1.469 2.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 2.640 1.150 4.165 1.00 0.00 H new ATOM 87 N SER A 6 4.540 -2.019 -0.907 1.00 0.00 N ATOM 88 CA SER A 6 3.784 -2.618 -1.993 1.00 0.00 C ATOM 89 C SER A 6 2.323 -2.801 -1.576 1.00 0.00 C ATOM 90 O SER A 6 2.001 -2.746 -0.389 1.00 0.00 O ATOM 91 CB SER A 6 4.389 -3.961 -2.409 1.00 0.00 C ATOM 92 OG SER A 6 3.600 -4.619 -3.396 1.00 0.00 O ATOM 0 H SER A 6 4.149 -2.176 0.022 1.00 0.00 H new ATOM 0 HA SER A 6 3.829 -1.948 -2.851 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.395 -3.801 -2.797 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.483 -4.603 -1.533 1.00 0.00 H new ATOM 0 HG SER A 6 3.550 -4.061 -4.200 1.00 0.00 H new ATOM 98 N SER A 7 1.479 -3.014 -2.574 1.00 0.00 N ATOM 99 CA SER A 7 0.060 -3.205 -2.326 1.00 0.00 C ATOM 100 C SER A 7 -0.375 -4.589 -2.811 1.00 0.00 C ATOM 101 O SER A 7 -0.571 -4.798 -4.008 1.00 0.00 O ATOM 102 CB SER A 7 -0.771 -2.117 -3.009 1.00 0.00 C ATOM 103 OG SER A 7 -2.070 -2.582 -3.366 1.00 0.00 O ATOM 0 H SER A 7 1.750 -3.059 -3.556 1.00 0.00 H new ATOM 0 HA SER A 7 -0.111 -3.133 -1.252 1.00 0.00 H new ATOM 0 HB2 SER A 7 -0.863 -1.260 -2.342 1.00 0.00 H new ATOM 0 HB3 SER A 7 -0.251 -1.771 -3.903 1.00 0.00 H new ATOM 0 HG SER A 7 -2.569 -1.858 -3.798 1.00 0.00 H new ATOM 109 N ILE A 8 -0.513 -5.500 -1.859 1.00 0.00 N ATOM 110 CA ILE A 8 -0.921 -6.858 -2.175 1.00 0.00 C ATOM 111 C ILE A 8 -2.449 -6.931 -2.214 1.00 0.00 C ATOM 112 O ILE A 8 -3.103 -6.867 -1.175 1.00 0.00 O ATOM 113 CB ILE A 8 -0.283 -7.849 -1.201 1.00 0.00 C ATOM 114 CG1 ILE A 8 1.185 -7.499 -0.945 1.00 0.00 C ATOM 115 CG2 ILE A 8 -0.450 -9.288 -1.694 1.00 0.00 C ATOM 116 CD1 ILE A 8 2.033 -7.740 -2.195 1.00 0.00 C ATOM 0 H ILE A 8 -0.349 -5.324 -0.868 1.00 0.00 H new ATOM 0 HA ILE A 8 -0.563 -7.143 -3.164 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.804 -7.772 -0.247 1.00 0.00 H new ATOM 0 HG12 ILE A 8 1.266 -6.455 -0.642 1.00 0.00 H new ATOM 0 HG13 ILE A 8 1.567 -8.101 -0.120 1.00 0.00 H new ATOM 0 HG21 ILE A 8 0.013 -9.972 -0.983 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -1.511 -9.521 -1.784 1.00 0.00 H new ATOM 0 HG23 ILE A 8 0.029 -9.397 -2.667 1.00 0.00 H new ATOM 0 HD11 ILE A 8 3.071 -7.483 -1.985 1.00 0.00 H new ATOM 0 HD12 ILE A 8 1.969 -8.790 -2.481 1.00 0.00 H new ATOM 0 HD13 ILE A 8 1.663 -7.119 -3.011 1.00 0.00 H new ATOM 128 N LEU A 9 -2.972 -7.064 -3.423 1.00 0.00 N ATOM 129 CA LEU A 9 -4.411 -7.147 -3.611 1.00 0.00 C ATOM 130 C LEU A 9 -4.826 -8.617 -3.698 1.00 0.00 C ATOM 131 O LEU A 9 -4.406 -9.332 -4.607 1.00 0.00 O ATOM 132 CB LEU A 9 -4.842 -6.313 -4.820 1.00 0.00 C ATOM 133 CG LEU A 9 -6.349 -6.216 -5.063 1.00 0.00 C ATOM 134 CD1 LEU A 9 -6.979 -5.136 -4.180 1.00 0.00 C ATOM 135 CD2 LEU A 9 -6.652 -5.991 -6.547 1.00 0.00 C ATOM 0 H LEU A 9 -2.426 -7.116 -4.283 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.933 -6.719 -2.755 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.447 -5.304 -4.700 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.376 -6.733 -5.711 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.802 -7.167 -4.782 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.051 -5.088 -4.373 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.809 -5.379 -3.131 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.526 -4.171 -4.407 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.730 -5.926 -6.692 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.184 -5.063 -6.877 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.257 -6.824 -7.129 1.00 0.00 H new ATOM 147 N LEU A 10 -5.647 -9.025 -2.742 1.00 0.00 N ATOM 148 CA LEU A 10 -6.124 -10.396 -2.699 1.00 0.00 C ATOM 149 C LEU A 10 -7.610 -10.427 -3.063 1.00 0.00 C ATOM 150 O LEU A 10 -8.338 -9.474 -2.793 1.00 0.00 O ATOM 151 CB LEU A 10 -5.809 -11.031 -1.343 1.00 0.00 C ATOM 152 CG LEU A 10 -4.373 -11.522 -1.149 1.00 0.00 C ATOM 153 CD1 LEU A 10 -3.378 -10.365 -1.263 1.00 0.00 C ATOM 154 CD2 LEU A 10 -4.226 -12.276 0.173 1.00 0.00 C ATOM 0 H LEU A 10 -5.994 -8.429 -1.990 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.602 -11.004 -3.438 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.031 -10.303 -0.563 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.483 -11.874 -1.194 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.141 -12.226 -1.948 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.365 -10.741 -1.121 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.461 -9.909 -2.250 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.598 -9.619 -0.499 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.196 -12.614 0.286 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.484 -11.614 1.000 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.893 -13.138 0.176 1.00 0.00 H new ATOM 166 N ASP A 11 -8.014 -11.533 -3.670 1.00 0.00 N ATOM 167 CA ASP A 11 -9.400 -11.701 -4.073 1.00 0.00 C ATOM 168 C ASP A 11 -9.921 -13.040 -3.550 1.00 0.00 C ATOM 169 O ASP A 11 -9.785 -14.065 -4.214 1.00 0.00 O ATOM 170 CB ASP A 11 -9.534 -11.704 -5.597 1.00 0.00 C ATOM 171 CG ASP A 11 -10.527 -10.687 -6.162 1.00 0.00 C ATOM 172 OD1 ASP A 11 -11.450 -10.240 -5.466 1.00 0.00 O ATOM 173 OD2 ASP A 11 -10.321 -10.347 -7.389 1.00 0.00 O ATOM 0 H ASP A 11 -7.406 -12.321 -3.893 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.973 -10.870 -3.662 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -8.554 -11.512 -6.033 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -9.836 -12.701 -5.918 1.00 0.00 H new ATOM 178 N VAL A 12 -10.507 -12.988 -2.363 1.00 0.00 N ATOM 179 CA VAL A 12 -11.050 -14.185 -1.742 1.00 0.00 C ATOM 180 C VAL A 12 -12.501 -14.373 -2.189 1.00 0.00 C ATOM 181 O VAL A 12 -13.207 -13.399 -2.444 1.00 0.00 O ATOM 182 CB VAL A 12 -10.898 -14.100 -0.222 1.00 0.00 C ATOM 183 CG1 VAL A 12 -11.320 -15.412 0.445 1.00 0.00 C ATOM 184 CG2 VAL A 12 -9.468 -13.724 0.167 1.00 0.00 C ATOM 0 H VAL A 12 -10.618 -12.135 -1.814 1.00 0.00 H new ATOM 0 HA VAL A 12 -10.495 -15.067 -2.062 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.560 -13.312 0.137 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.202 -15.325 1.525 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.363 -15.621 0.209 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.695 -16.225 0.076 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.388 -13.671 1.253 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.778 -14.478 -0.211 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.217 -12.755 -0.263 1.00 0.00 H new ATOM 194 N LYS A 13 -12.903 -15.633 -2.269 1.00 0.00 N ATOM 195 CA LYS A 13 -14.256 -15.962 -2.681 1.00 0.00 C ATOM 196 C LYS A 13 -15.024 -16.532 -1.487 1.00 0.00 C ATOM 197 O LYS A 13 -14.556 -17.461 -0.829 1.00 0.00 O ATOM 198 CB LYS A 13 -14.237 -16.889 -3.897 1.00 0.00 C ATOM 199 CG LYS A 13 -15.267 -16.449 -4.939 1.00 0.00 C ATOM 200 CD LYS A 13 -14.599 -16.155 -6.282 1.00 0.00 C ATOM 201 CE LYS A 13 -15.622 -15.660 -7.308 1.00 0.00 C ATOM 202 NZ LYS A 13 -16.014 -16.759 -8.219 1.00 0.00 N ATOM 0 H LYS A 13 -12.315 -16.438 -2.055 1.00 0.00 H new ATOM 0 HA LYS A 13 -14.784 -15.064 -3.002 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -13.242 -16.890 -4.342 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -14.447 -17.911 -3.583 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -16.017 -17.229 -5.066 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -15.789 -15.559 -4.586 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -13.821 -15.404 -6.148 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -14.112 -17.056 -6.655 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -16.503 -15.273 -6.795 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -15.200 -14.836 -7.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -16.708 -16.407 -8.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -15.174 -17.110 -8.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -16.436 -17.533 -7.668 1.00 0.00 H new ATOM 216 N PRO A 14 -16.220 -15.937 -1.234 1.00 0.00 N ATOM 217 CA PRO A 14 -17.057 -16.376 -0.131 1.00 0.00 C ATOM 218 C PRO A 14 -17.746 -17.702 -0.458 1.00 0.00 C ATOM 219 O PRO A 14 -18.146 -17.933 -1.598 1.00 0.00 O ATOM 220 CB PRO A 14 -18.038 -15.237 0.097 1.00 0.00 C ATOM 221 CG PRO A 14 -18.019 -14.410 -1.178 1.00 0.00 C ATOM 222 CD PRO A 14 -16.806 -14.835 -1.991 1.00 0.00 C ATOM 0 HA PRO A 14 -16.486 -16.579 0.775 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -19.039 -15.618 0.301 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -17.745 -14.635 0.957 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -18.935 -14.566 -1.748 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -17.968 -13.347 -0.943 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -17.093 -15.152 -2.994 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -16.099 -14.014 -2.106 1.00 0.00 H new ATOM 230 N TRP A 15 -17.864 -18.539 0.562 1.00 0.00 N ATOM 231 CA TRP A 15 -18.498 -19.836 0.398 1.00 0.00 C ATOM 232 C TRP A 15 -19.817 -19.625 -0.349 1.00 0.00 C ATOM 233 O TRP A 15 -20.232 -20.476 -1.135 1.00 0.00 O ATOM 234 CB TRP A 15 -18.679 -20.534 1.747 1.00 0.00 C ATOM 235 CG TRP A 15 -17.787 -21.763 1.935 1.00 0.00 C ATOM 236 CD1 TRP A 15 -17.093 -22.119 3.025 1.00 0.00 C ATOM 237 CD2 TRP A 15 -17.521 -22.791 0.958 1.00 0.00 C ATOM 238 NE1 TRP A 15 -16.401 -23.296 2.822 1.00 0.00 N ATOM 239 CE2 TRP A 15 -16.671 -23.718 1.525 1.00 0.00 C ATOM 240 CE3 TRP A 15 -17.986 -22.933 -0.362 1.00 0.00 C ATOM 241 CZ2 TRP A 15 -16.209 -24.851 0.846 1.00 0.00 C ATOM 242 CZ3 TRP A 15 -17.515 -24.072 -1.027 1.00 0.00 C ATOM 243 CH2 TRP A 15 -16.659 -25.014 -0.471 1.00 0.00 C ATOM 0 H TRP A 15 -17.531 -18.344 1.506 1.00 0.00 H new ATOM 0 HA TRP A 15 -17.867 -20.502 -0.190 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -18.471 -19.821 2.545 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -19.721 -20.835 1.852 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -17.077 -21.556 3.946 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -15.802 -23.769 3.499 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -18.653 -22.221 -0.825 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -15.542 -25.561 1.312 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -17.841 -24.229 -2.045 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -16.342 -25.868 -1.051 1.00 0.00 H new ATOM 254 N ASP A 16 -20.440 -18.489 -0.075 1.00 0.00 N ATOM 255 CA ASP A 16 -21.704 -18.157 -0.710 1.00 0.00 C ATOM 256 C ASP A 16 -22.260 -16.874 -0.088 1.00 0.00 C ATOM 257 O ASP A 16 -21.616 -16.262 0.763 1.00 0.00 O ATOM 258 CB ASP A 16 -22.734 -19.268 -0.503 1.00 0.00 C ATOM 259 CG ASP A 16 -23.162 -20.000 -1.777 1.00 0.00 C ATOM 260 OD1 ASP A 16 -22.338 -20.621 -2.464 1.00 0.00 O ATOM 261 OD2 ASP A 16 -24.417 -19.912 -2.061 1.00 0.00 O ATOM 0 H ASP A 16 -20.093 -17.787 0.578 1.00 0.00 H new ATOM 0 HA ASP A 16 -21.522 -18.030 -1.777 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -22.324 -19.997 0.196 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -23.619 -18.839 -0.034 1.00 0.00 H new ATOM 266 N ASP A 17 -23.452 -16.505 -0.535 1.00 0.00 N ATOM 267 CA ASP A 17 -24.102 -15.308 -0.033 1.00 0.00 C ATOM 268 C ASP A 17 -24.244 -15.408 1.487 1.00 0.00 C ATOM 269 O ASP A 17 -24.452 -14.401 2.163 1.00 0.00 O ATOM 270 CB ASP A 17 -25.503 -15.150 -0.629 1.00 0.00 C ATOM 271 CG ASP A 17 -26.637 -15.715 0.228 1.00 0.00 C ATOM 272 OD1 ASP A 17 -26.840 -15.295 1.377 1.00 0.00 O ATOM 273 OD2 ASP A 17 -27.340 -16.638 -0.337 1.00 0.00 O ATOM 0 H ASP A 17 -23.984 -17.015 -1.240 1.00 0.00 H new ATOM 0 HA ASP A 17 -23.491 -14.450 -0.315 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -25.691 -14.090 -0.801 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -25.525 -15.640 -1.603 1.00 0.00 H new ATOM 278 N GLU A 18 -24.125 -16.632 1.981 1.00 0.00 N ATOM 279 CA GLU A 18 -24.237 -16.877 3.408 1.00 0.00 C ATOM 280 C GLU A 18 -23.002 -16.344 4.137 1.00 0.00 C ATOM 281 O GLU A 18 -23.096 -15.895 5.278 1.00 0.00 O ATOM 282 CB GLU A 18 -24.442 -18.366 3.695 1.00 0.00 C ATOM 283 CG GLU A 18 -23.391 -19.213 2.973 1.00 0.00 C ATOM 284 CD GLU A 18 -23.252 -20.588 3.628 1.00 0.00 C ATOM 285 OE1 GLU A 18 -24.255 -21.173 4.062 1.00 0.00 O ATOM 286 OE2 GLU A 18 -22.048 -21.049 3.676 1.00 0.00 O ATOM 0 H GLU A 18 -23.952 -17.465 1.418 1.00 0.00 H new ATOM 0 HA GLU A 18 -25.113 -16.345 3.780 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -24.383 -18.545 4.769 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -25.440 -18.668 3.376 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -23.671 -19.331 1.926 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -22.430 -18.699 2.990 1.00 0.00 H new ATOM 293 N THR A 19 -21.873 -16.410 3.447 1.00 0.00 N ATOM 294 CA THR A 19 -20.621 -15.940 4.014 1.00 0.00 C ATOM 295 C THR A 19 -20.685 -14.432 4.271 1.00 0.00 C ATOM 296 O THR A 19 -20.623 -13.636 3.336 1.00 0.00 O ATOM 297 CB THR A 19 -19.491 -16.346 3.068 1.00 0.00 C ATOM 298 OG1 THR A 19 -19.159 -17.672 3.472 1.00 0.00 O ATOM 299 CG2 THR A 19 -18.207 -15.550 3.312 1.00 0.00 C ATOM 0 H THR A 19 -21.799 -16.782 2.500 1.00 0.00 H new ATOM 0 HA THR A 19 -20.431 -16.397 4.985 1.00 0.00 H new ATOM 0 HB THR A 19 -19.814 -16.206 2.037 1.00 0.00 H new ATOM 0 HG1 THR A 19 -18.218 -17.851 3.264 1.00 0.00 H new ATOM 0 HG21 THR A 19 -17.437 -15.878 2.614 1.00 0.00 H new ATOM 0 HG22 THR A 19 -18.403 -14.488 3.163 1.00 0.00 H new ATOM 0 HG23 THR A 19 -17.865 -15.716 4.333 1.00 0.00 H new ATOM 307 N ASP A 20 -20.809 -14.087 5.545 1.00 0.00 N ATOM 308 CA ASP A 20 -20.882 -12.689 5.936 1.00 0.00 C ATOM 309 C ASP A 20 -19.720 -11.924 5.300 1.00 0.00 C ATOM 310 O ASP A 20 -18.566 -12.119 5.675 1.00 0.00 O ATOM 311 CB ASP A 20 -20.774 -12.536 7.455 1.00 0.00 C ATOM 312 CG ASP A 20 -21.925 -11.773 8.112 1.00 0.00 C ATOM 313 OD1 ASP A 20 -22.105 -10.574 7.673 1.00 0.00 O ATOM 314 OD2 ASP A 20 -22.616 -12.298 8.998 1.00 0.00 O ATOM 0 H ASP A 20 -20.861 -14.750 6.318 1.00 0.00 H new ATOM 0 HA ASP A 20 -21.841 -12.295 5.601 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -20.714 -13.529 7.902 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -19.840 -12.025 7.688 1.00 0.00 H new ATOM 319 N MET A 21 -20.068 -11.069 4.349 1.00 0.00 N ATOM 320 CA MET A 21 -19.067 -10.273 3.657 1.00 0.00 C ATOM 321 C MET A 21 -18.526 -9.165 4.562 1.00 0.00 C ATOM 322 O MET A 21 -17.378 -8.749 4.422 1.00 0.00 O ATOM 323 CB MET A 21 -19.687 -9.652 2.404 1.00 0.00 C ATOM 324 CG MET A 21 -20.317 -10.726 1.514 1.00 0.00 C ATOM 325 SD MET A 21 -19.045 -11.756 0.805 1.00 0.00 S ATOM 326 CE MET A 21 -18.911 -11.015 -0.814 1.00 0.00 C ATOM 0 H MET A 21 -21.027 -10.910 4.042 1.00 0.00 H new ATOM 0 HA MET A 21 -18.239 -10.925 3.379 1.00 0.00 H new ATOM 0 HB2 MET A 21 -20.444 -8.923 2.692 1.00 0.00 H new ATOM 0 HB3 MET A 21 -18.922 -9.113 1.844 1.00 0.00 H new ATOM 0 HG2 MET A 21 -21.006 -11.336 2.098 1.00 0.00 H new ATOM 0 HG3 MET A 21 -20.900 -10.257 0.721 1.00 0.00 H new ATOM 0 HE1 MET A 21 -17.918 -11.207 -1.221 1.00 0.00 H new ATOM 0 HE2 MET A 21 -19.663 -11.446 -1.475 1.00 0.00 H new ATOM 0 HE3 MET A 21 -19.070 -9.939 -0.736 1.00 0.00 H new ATOM 336 N ALA A 22 -19.380 -8.719 5.472 1.00 0.00 N ATOM 337 CA ALA A 22 -19.002 -7.666 6.400 1.00 0.00 C ATOM 338 C ALA A 22 -17.953 -8.205 7.375 1.00 0.00 C ATOM 339 O ALA A 22 -17.012 -7.498 7.734 1.00 0.00 O ATOM 340 CB ALA A 22 -20.249 -7.143 7.116 1.00 0.00 C ATOM 0 H ALA A 22 -20.332 -9.067 5.586 1.00 0.00 H new ATOM 0 HA ALA A 22 -18.557 -6.826 5.867 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -19.965 -6.353 7.812 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -20.950 -6.745 6.382 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -20.722 -7.957 7.665 1.00 0.00 H new ATOM 346 N LYS A 23 -18.150 -9.452 7.777 1.00 0.00 N ATOM 347 CA LYS A 23 -17.233 -10.094 8.703 1.00 0.00 C ATOM 348 C LYS A 23 -15.930 -10.428 7.975 1.00 0.00 C ATOM 349 O LYS A 23 -14.844 -10.108 8.458 1.00 0.00 O ATOM 350 CB LYS A 23 -17.897 -11.304 9.362 1.00 0.00 C ATOM 351 CG LYS A 23 -17.420 -11.473 10.807 1.00 0.00 C ATOM 352 CD LYS A 23 -18.568 -11.258 11.793 1.00 0.00 C ATOM 353 CE LYS A 23 -18.040 -10.861 13.173 1.00 0.00 C ATOM 354 NZ LYS A 23 -17.952 -12.046 14.054 1.00 0.00 N ATOM 0 H LYS A 23 -18.932 -10.035 7.478 1.00 0.00 H new ATOM 0 HA LYS A 23 -16.978 -9.416 9.518 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -18.980 -11.183 9.345 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -17.668 -12.204 8.792 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -17.003 -12.471 10.941 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -16.620 -10.763 11.015 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -19.234 -10.481 11.417 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -19.158 -12.171 11.874 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -17.057 -10.400 13.074 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -18.698 -10.116 13.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -17.592 -11.759 14.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -18.896 -12.469 14.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -17.306 -12.744 13.633 1.00 0.00 H new ATOM 368 N LEU A 24 -16.079 -11.069 6.824 1.00 0.00 N ATOM 369 CA LEU A 24 -14.928 -11.450 6.025 1.00 0.00 C ATOM 370 C LEU A 24 -14.110 -10.202 5.689 1.00 0.00 C ATOM 371 O LEU A 24 -12.880 -10.237 5.711 1.00 0.00 O ATOM 372 CB LEU A 24 -15.370 -12.244 4.794 1.00 0.00 C ATOM 373 CG LEU A 24 -14.586 -13.527 4.507 1.00 0.00 C ATOM 374 CD1 LEU A 24 -15.250 -14.338 3.394 1.00 0.00 C ATOM 375 CD2 LEU A 24 -13.121 -13.215 4.193 1.00 0.00 C ATOM 0 H LEU A 24 -16.980 -11.334 6.427 1.00 0.00 H new ATOM 0 HA LEU A 24 -14.276 -12.117 6.590 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -16.422 -12.503 4.912 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -15.297 -11.594 3.922 1.00 0.00 H new ATOM 0 HG LEU A 24 -14.599 -14.144 5.406 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -14.673 -15.244 3.210 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -16.262 -14.607 3.695 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -15.289 -13.741 2.483 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -12.586 -14.143 3.993 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -13.066 -12.569 3.317 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.666 -12.710 5.045 1.00 0.00 H new ATOM 387 N GLU A 25 -14.825 -9.128 5.388 1.00 0.00 N ATOM 388 CA GLU A 25 -14.180 -7.870 5.048 1.00 0.00 C ATOM 389 C GLU A 25 -13.477 -7.286 6.275 1.00 0.00 C ATOM 390 O GLU A 25 -12.256 -7.142 6.285 1.00 0.00 O ATOM 391 CB GLU A 25 -15.187 -6.876 4.468 1.00 0.00 C ATOM 392 CG GLU A 25 -14.490 -5.600 3.995 1.00 0.00 C ATOM 393 CD GLU A 25 -15.457 -4.415 3.990 1.00 0.00 C ATOM 394 OE1 GLU A 25 -16.342 -4.437 3.053 1.00 0.00 O ATOM 395 OE2 GLU A 25 -15.352 -3.525 4.849 1.00 0.00 O ATOM 0 H GLU A 25 -15.845 -9.102 5.372 1.00 0.00 H new ATOM 0 HA GLU A 25 -13.430 -8.064 4.282 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -15.717 -7.335 3.634 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -15.934 -6.628 5.222 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -13.644 -5.381 4.647 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -14.089 -5.751 2.993 1.00 0.00 H new ATOM 402 N GLU A 26 -14.280 -6.964 7.280 1.00 0.00 N ATOM 403 CA GLU A 26 -13.750 -6.399 8.508 1.00 0.00 C ATOM 404 C GLU A 26 -12.661 -7.306 9.084 1.00 0.00 C ATOM 405 O GLU A 26 -11.556 -6.849 9.374 1.00 0.00 O ATOM 406 CB GLU A 26 -14.865 -6.165 9.530 1.00 0.00 C ATOM 407 CG GLU A 26 -15.849 -5.102 9.034 1.00 0.00 C ATOM 408 CD GLU A 26 -15.303 -3.694 9.280 1.00 0.00 C ATOM 409 OE1 GLU A 26 -14.415 -3.235 8.545 1.00 0.00 O ATOM 410 OE2 GLU A 26 -15.835 -3.069 10.276 1.00 0.00 O ATOM 0 H GLU A 26 -15.293 -7.084 7.268 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.305 -5.431 8.276 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -15.396 -7.099 9.715 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -14.433 -5.851 10.480 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -16.036 -5.243 7.969 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -16.805 -5.220 9.544 1.00 0.00 H new ATOM 417 N CYS A 27 -13.011 -8.575 9.234 1.00 0.00 N ATOM 418 CA CYS A 27 -12.077 -9.551 9.770 1.00 0.00 C ATOM 419 C CYS A 27 -10.714 -9.323 9.112 1.00 0.00 C ATOM 420 O CYS A 27 -9.723 -9.075 9.798 1.00 0.00 O ATOM 421 CB CYS A 27 -12.575 -10.983 9.568 1.00 0.00 C ATOM 422 SG CYS A 27 -11.338 -12.172 10.202 1.00 0.00 S ATOM 0 H CYS A 27 -13.929 -8.950 8.994 1.00 0.00 H new ATOM 0 HA CYS A 27 -11.987 -9.417 10.848 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -13.524 -11.123 10.085 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -12.759 -11.167 8.509 1.00 0.00 H new ATOM 0 HG CYS A 27 -11.772 -13.385 10.027 1.00 0.00 H new ATOM 428 N VAL A 28 -10.707 -9.416 7.791 1.00 0.00 N ATOM 429 CA VAL A 28 -9.483 -9.222 7.033 1.00 0.00 C ATOM 430 C VAL A 28 -8.784 -7.951 7.516 1.00 0.00 C ATOM 431 O VAL A 28 -7.585 -7.962 7.789 1.00 0.00 O ATOM 432 CB VAL A 28 -9.792 -9.202 5.535 1.00 0.00 C ATOM 433 CG1 VAL A 28 -8.813 -8.296 4.785 1.00 0.00 C ATOM 434 CG2 VAL A 28 -9.785 -10.617 4.954 1.00 0.00 C ATOM 0 H VAL A 28 -11.530 -9.623 7.226 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.797 -10.053 7.198 1.00 0.00 H new ATOM 0 HB VAL A 28 -10.794 -8.792 5.406 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.055 -8.300 3.722 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.889 -7.279 5.171 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.796 -8.663 4.927 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -10.008 -10.574 3.888 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.803 -11.066 5.102 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -10.540 -11.221 5.458 1.00 0.00 H new ATOM 444 N ARG A 29 -9.564 -6.884 7.608 1.00 0.00 N ATOM 445 CA ARG A 29 -9.034 -5.606 8.053 1.00 0.00 C ATOM 446 C ARG A 29 -8.575 -5.701 9.510 1.00 0.00 C ATOM 447 O ARG A 29 -7.676 -4.974 9.929 1.00 0.00 O ATOM 448 CB ARG A 29 -10.085 -4.501 7.928 1.00 0.00 C ATOM 449 CG ARG A 29 -9.452 -3.195 7.444 1.00 0.00 C ATOM 450 CD ARG A 29 -9.652 -2.076 8.469 1.00 0.00 C ATOM 451 NE ARG A 29 -9.844 -0.782 7.775 1.00 0.00 N ATOM 452 CZ ARG A 29 -10.050 0.383 8.403 1.00 0.00 C ATOM 453 NH1 ARG A 29 -10.094 0.425 9.742 1.00 0.00 N ATOM 454 NH2 ARG A 29 -10.214 1.507 7.692 1.00 0.00 N ATOM 0 H ARG A 29 -10.559 -6.878 7.382 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.185 -5.358 7.416 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -10.864 -4.812 7.232 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.566 -4.341 8.893 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -8.387 -3.346 7.268 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -9.894 -2.904 6.491 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -10.518 -2.295 9.094 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.787 -2.019 9.130 1.00 0.00 H new ATOM 0 HE ARG A 29 -9.818 -0.778 6.755 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.971 -0.431 10.283 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.251 1.313 10.220 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.182 1.475 6.673 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.371 2.394 8.170 1.00 0.00 H new ATOM 468 N SER A 30 -9.213 -6.603 10.240 1.00 0.00 N ATOM 469 CA SER A 30 -8.882 -6.803 11.642 1.00 0.00 C ATOM 470 C SER A 30 -7.473 -7.384 11.767 1.00 0.00 C ATOM 471 O SER A 30 -6.929 -7.471 12.868 1.00 0.00 O ATOM 472 CB SER A 30 -9.898 -7.721 12.323 1.00 0.00 C ATOM 473 OG SER A 30 -9.475 -9.082 12.318 1.00 0.00 O ATOM 0 H SER A 30 -9.958 -7.204 9.888 1.00 0.00 H new ATOM 0 HA SER A 30 -8.916 -5.836 12.144 1.00 0.00 H new ATOM 0 HB2 SER A 30 -10.051 -7.393 13.351 1.00 0.00 H new ATOM 0 HB3 SER A 30 -10.859 -7.638 11.815 1.00 0.00 H new ATOM 0 HG SER A 30 -9.672 -9.483 11.445 1.00 0.00 H new ATOM 479 N ILE A 31 -6.921 -7.767 10.625 1.00 0.00 N ATOM 480 CA ILE A 31 -5.585 -8.338 10.595 1.00 0.00 C ATOM 481 C ILE A 31 -4.556 -7.230 10.826 1.00 0.00 C ATOM 482 O ILE A 31 -4.589 -6.197 10.158 1.00 0.00 O ATOM 483 CB ILE A 31 -5.366 -9.119 9.297 1.00 0.00 C ATOM 484 CG1 ILE A 31 -6.482 -10.142 9.079 1.00 0.00 C ATOM 485 CG2 ILE A 31 -3.981 -9.769 9.276 1.00 0.00 C ATOM 486 CD1 ILE A 31 -6.368 -11.300 10.074 1.00 0.00 C ATOM 0 H ILE A 31 -7.374 -7.693 9.714 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.462 -9.061 11.401 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.405 -8.417 8.464 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -7.452 -9.657 9.190 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -6.433 -10.527 8.060 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.851 -10.318 8.343 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.215 -8.997 9.353 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.889 -10.456 10.117 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -7.174 -12.013 9.897 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -5.407 -11.798 9.944 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.442 -10.915 11.091 1.00 0.00 H new ATOM 498 N GLN A 32 -3.666 -7.481 11.776 1.00 0.00 N ATOM 499 CA GLN A 32 -2.629 -6.518 12.104 1.00 0.00 C ATOM 500 C GLN A 32 -1.250 -7.088 11.769 1.00 0.00 C ATOM 501 O GLN A 32 -1.049 -8.301 11.808 1.00 0.00 O ATOM 502 CB GLN A 32 -2.710 -6.104 13.574 1.00 0.00 C ATOM 503 CG GLN A 32 -2.794 -4.582 13.712 1.00 0.00 C ATOM 504 CD GLN A 32 -1.686 -4.052 14.624 1.00 0.00 C ATOM 505 OE1 GLN A 32 -0.835 -4.785 15.100 1.00 0.00 O ATOM 506 NE2 GLN A 32 -1.745 -2.741 14.839 1.00 0.00 N ATOM 0 H GLN A 32 -3.642 -8.338 12.329 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.787 -5.624 11.501 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -3.583 -6.563 14.037 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -1.835 -6.473 14.108 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -2.713 -4.119 12.729 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -3.767 -4.303 14.116 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -2.485 -2.186 14.409 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -1.050 -2.290 15.434 1.00 0.00 H new ATOM 515 N ALA A 33 -0.333 -6.186 11.448 1.00 0.00 N ATOM 516 CA ALA A 33 1.022 -6.584 11.108 1.00 0.00 C ATOM 517 C ALA A 33 1.900 -5.337 10.981 1.00 0.00 C ATOM 518 O ALA A 33 1.423 -4.278 10.574 1.00 0.00 O ATOM 519 CB ALA A 33 1.002 -7.416 9.824 1.00 0.00 C ATOM 0 H ALA A 33 -0.503 -5.181 11.416 1.00 0.00 H new ATOM 0 HA ALA A 33 1.447 -7.207 11.895 1.00 0.00 H new ATOM 0 HB1 ALA A 33 2.019 -7.715 9.568 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.390 -8.305 9.976 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.583 -6.822 9.012 1.00 0.00 H new ATOM 525 N ASP A 34 3.164 -5.503 11.336 1.00 0.00 N ATOM 526 CA ASP A 34 4.112 -4.404 11.266 1.00 0.00 C ATOM 527 C ASP A 34 4.293 -3.984 9.806 1.00 0.00 C ATOM 528 O ASP A 34 4.162 -4.804 8.899 1.00 0.00 O ATOM 529 CB ASP A 34 5.480 -4.820 11.811 1.00 0.00 C ATOM 530 CG ASP A 34 6.144 -3.802 12.739 1.00 0.00 C ATOM 531 OD1 ASP A 34 5.541 -3.343 13.721 1.00 0.00 O ATOM 532 OD2 ASP A 34 7.349 -3.473 12.415 1.00 0.00 O ATOM 0 H ASP A 34 3.555 -6.383 11.673 1.00 0.00 H new ATOM 0 HA ASP A 34 3.720 -3.582 11.865 1.00 0.00 H new ATOM 0 HB2 ASP A 34 5.369 -5.761 12.349 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.146 -5.011 10.970 1.00 0.00 H new ATOM 537 N GLY A 35 4.591 -2.706 9.624 1.00 0.00 N ATOM 538 CA GLY A 35 4.791 -2.167 8.291 1.00 0.00 C ATOM 539 C GLY A 35 3.566 -2.416 7.409 1.00 0.00 C ATOM 540 O GLY A 35 3.646 -2.317 6.185 1.00 0.00 O ATOM 0 H GLY A 35 4.699 -2.028 10.379 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.987 -1.097 8.353 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.669 -2.626 7.837 1.00 0.00 H new ATOM 544 N LEU A 36 2.459 -2.735 8.064 1.00 0.00 N ATOM 545 CA LEU A 36 1.219 -2.999 7.355 1.00 0.00 C ATOM 546 C LEU A 36 0.303 -1.778 7.467 1.00 0.00 C ATOM 547 O LEU A 36 0.198 -1.172 8.531 1.00 0.00 O ATOM 548 CB LEU A 36 0.581 -4.295 7.858 1.00 0.00 C ATOM 549 CG LEU A 36 -0.461 -4.932 6.936 1.00 0.00 C ATOM 550 CD1 LEU A 36 0.027 -6.282 6.407 1.00 0.00 C ATOM 551 CD2 LEU A 36 -1.817 -5.048 7.636 1.00 0.00 C ATOM 0 H LEU A 36 2.395 -2.817 9.079 1.00 0.00 H new ATOM 0 HA LEU A 36 1.412 -3.157 6.294 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.374 -5.022 8.035 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.111 -4.095 8.821 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.598 -4.278 6.075 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.732 -6.713 5.754 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.950 -6.140 5.845 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.211 -6.956 7.244 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.539 -5.504 6.958 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.715 -5.667 8.527 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.165 -4.055 7.922 1.00 0.00 H new ATOM 563 N VAL A 37 -0.337 -1.456 6.353 1.00 0.00 N ATOM 564 CA VAL A 37 -1.241 -0.319 6.311 1.00 0.00 C ATOM 565 C VAL A 37 -2.485 -0.690 5.503 1.00 0.00 C ATOM 566 O VAL A 37 -2.470 -0.635 4.274 1.00 0.00 O ATOM 567 CB VAL A 37 -0.513 0.909 5.758 1.00 0.00 C ATOM 568 CG1 VAL A 37 -1.498 2.038 5.453 1.00 0.00 C ATOM 569 CG2 VAL A 37 0.579 1.378 6.721 1.00 0.00 C ATOM 0 H VAL A 37 -0.248 -1.963 5.472 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.573 -0.059 7.316 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.033 0.622 4.822 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.955 2.898 5.062 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.223 1.699 4.713 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.019 2.323 6.367 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.081 2.251 6.305 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.131 1.640 7.680 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.305 0.578 6.866 1.00 0.00 H new ATOM 579 N TRP A 38 -3.532 -1.062 6.225 1.00 0.00 N ATOM 580 CA TRP A 38 -4.782 -1.442 5.590 1.00 0.00 C ATOM 581 C TRP A 38 -5.351 -0.208 4.888 1.00 0.00 C ATOM 582 O TRP A 38 -5.916 0.673 5.534 1.00 0.00 O ATOM 583 CB TRP A 38 -5.750 -2.052 6.606 1.00 0.00 C ATOM 584 CG TRP A 38 -5.543 -3.549 6.843 1.00 0.00 C ATOM 585 CD1 TRP A 38 -5.348 -4.181 8.007 1.00 0.00 C ATOM 586 CD2 TRP A 38 -5.518 -4.583 5.836 1.00 0.00 C ATOM 587 NE1 TRP A 38 -5.200 -5.541 7.827 1.00 0.00 N ATOM 588 CE2 TRP A 38 -5.307 -5.794 6.464 1.00 0.00 C ATOM 589 CE3 TRP A 38 -5.669 -4.499 4.441 1.00 0.00 C ATOM 590 CZ2 TRP A 38 -5.227 -7.011 5.777 1.00 0.00 C ATOM 591 CZ3 TRP A 38 -5.587 -5.724 3.768 1.00 0.00 C ATOM 592 CH2 TRP A 38 -5.374 -6.951 4.386 1.00 0.00 C ATOM 0 H TRP A 38 -3.540 -1.108 7.244 1.00 0.00 H new ATOM 0 HA TRP A 38 -4.615 -2.219 4.845 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -5.643 -1.526 7.555 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -6.772 -1.887 6.263 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -5.311 -3.688 8.967 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -5.041 -6.233 8.559 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -5.835 -3.563 3.929 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -5.061 -7.946 6.292 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -5.697 -5.715 2.694 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -5.322 -7.854 3.796 1.00 0.00 H new ATOM 603 N GLY A 39 -5.183 -0.183 3.574 1.00 0.00 N ATOM 604 CA GLY A 39 -5.673 0.928 2.777 1.00 0.00 C ATOM 605 C GLY A 39 -7.203 0.931 2.722 1.00 0.00 C ATOM 606 O GLY A 39 -7.847 1.819 3.278 1.00 0.00 O ATOM 0 H GLY A 39 -4.714 -0.915 3.041 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.319 1.868 3.200 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.269 0.861 1.767 1.00 0.00 H new ATOM 610 N SER A 40 -7.739 -0.073 2.044 1.00 0.00 N ATOM 611 CA SER A 40 -9.181 -0.199 1.908 1.00 0.00 C ATOM 612 C SER A 40 -9.520 -1.362 0.975 1.00 0.00 C ATOM 613 O SER A 40 -8.768 -1.658 0.048 1.00 0.00 O ATOM 614 CB SER A 40 -9.799 1.100 1.384 1.00 0.00 C ATOM 615 OG SER A 40 -10.985 1.450 2.091 1.00 0.00 O ATOM 0 H SER A 40 -7.201 -0.807 1.583 1.00 0.00 H new ATOM 0 HA SER A 40 -9.601 -0.399 2.893 1.00 0.00 H new ATOM 0 HB2 SER A 40 -9.073 1.908 1.472 1.00 0.00 H new ATOM 0 HB3 SER A 40 -10.028 0.991 0.324 1.00 0.00 H new ATOM 0 HG SER A 40 -11.348 2.285 1.728 1.00 0.00 H new ATOM 621 N SER A 41 -10.652 -1.991 1.252 1.00 0.00 N ATOM 622 CA SER A 41 -11.100 -3.116 0.449 1.00 0.00 C ATOM 623 C SER A 41 -12.136 -2.649 -0.574 1.00 0.00 C ATOM 624 O SER A 41 -12.766 -1.608 -0.395 1.00 0.00 O ATOM 625 CB SER A 41 -11.684 -4.223 1.330 1.00 0.00 C ATOM 626 OG SER A 41 -12.765 -3.754 2.131 1.00 0.00 O ATOM 0 H SER A 41 -11.273 -1.743 2.022 1.00 0.00 H new ATOM 0 HA SER A 41 -10.238 -3.525 -0.078 1.00 0.00 H new ATOM 0 HB2 SER A 41 -12.029 -5.043 0.700 1.00 0.00 H new ATOM 0 HB3 SER A 41 -10.902 -4.623 1.975 1.00 0.00 H new ATOM 0 HG SER A 41 -12.548 -3.878 3.079 1.00 0.00 H new ATOM 632 N LYS A 42 -12.282 -3.442 -1.626 1.00 0.00 N ATOM 633 CA LYS A 42 -13.232 -3.122 -2.678 1.00 0.00 C ATOM 634 C LYS A 42 -14.194 -4.297 -2.864 1.00 0.00 C ATOM 635 O LYS A 42 -13.897 -5.418 -2.454 1.00 0.00 O ATOM 636 CB LYS A 42 -12.496 -2.722 -3.959 1.00 0.00 C ATOM 637 CG LYS A 42 -11.302 -1.818 -3.646 1.00 0.00 C ATOM 638 CD LYS A 42 -11.426 -0.475 -4.368 1.00 0.00 C ATOM 639 CE LYS A 42 -11.288 -0.651 -5.881 1.00 0.00 C ATOM 640 NZ LYS A 42 -10.165 0.162 -6.398 1.00 0.00 N ATOM 0 H LYS A 42 -11.758 -4.305 -1.772 1.00 0.00 H new ATOM 0 HA LYS A 42 -13.834 -2.257 -2.399 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -12.153 -3.616 -4.480 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -13.182 -2.205 -4.630 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.239 -1.652 -2.571 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.378 -2.313 -3.947 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -12.390 -0.022 -4.138 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.658 0.209 -4.006 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.122 -1.702 -6.117 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.215 -0.356 -6.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.086 0.030 -7.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.339 1.166 -6.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.280 -0.138 -5.942 1.00 0.00 H new ATOM 654 N LEU A 43 -15.328 -3.999 -3.482 1.00 0.00 N ATOM 655 CA LEU A 43 -16.336 -5.016 -3.727 1.00 0.00 C ATOM 656 C LEU A 43 -16.574 -5.141 -5.233 1.00 0.00 C ATOM 657 O LEU A 43 -16.333 -4.195 -5.983 1.00 0.00 O ATOM 658 CB LEU A 43 -17.605 -4.716 -2.927 1.00 0.00 C ATOM 659 CG LEU A 43 -17.745 -5.448 -1.591 1.00 0.00 C ATOM 660 CD1 LEU A 43 -17.573 -6.958 -1.772 1.00 0.00 C ATOM 661 CD2 LEU A 43 -16.776 -4.881 -0.551 1.00 0.00 C ATOM 0 H LEU A 43 -15.571 -3.068 -3.820 1.00 0.00 H new ATOM 0 HA LEU A 43 -15.988 -5.988 -3.377 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -17.646 -3.643 -2.737 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -18.468 -4.963 -3.546 1.00 0.00 H new ATOM 0 HG LEU A 43 -18.754 -5.282 -1.215 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -17.677 -7.454 -0.807 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -18.335 -7.332 -2.456 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -16.584 -7.165 -2.182 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -16.896 -5.419 0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -15.752 -4.996 -0.907 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -16.989 -3.824 -0.394 1.00 0.00 H new ATOM 673 N VAL A 44 -17.043 -6.314 -5.631 1.00 0.00 N ATOM 674 CA VAL A 44 -17.316 -6.574 -7.034 1.00 0.00 C ATOM 675 C VAL A 44 -18.391 -7.655 -7.149 1.00 0.00 C ATOM 676 O VAL A 44 -18.103 -8.841 -7.000 1.00 0.00 O ATOM 677 CB VAL A 44 -16.020 -6.941 -7.760 1.00 0.00 C ATOM 678 CG1 VAL A 44 -16.291 -7.294 -9.223 1.00 0.00 C ATOM 679 CG2 VAL A 44 -14.991 -5.813 -7.650 1.00 0.00 C ATOM 0 H VAL A 44 -17.241 -7.095 -5.006 1.00 0.00 H new ATOM 0 HA VAL A 44 -17.703 -5.678 -7.519 1.00 0.00 H new ATOM 0 HB VAL A 44 -15.604 -7.824 -7.274 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -15.353 -7.551 -9.715 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -16.971 -8.144 -9.272 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -16.742 -6.439 -9.726 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -14.079 -6.100 -8.174 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -15.397 -4.905 -8.097 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -14.763 -5.630 -6.600 1.00 0.00 H new ATOM 689 N PRO A 45 -19.643 -7.195 -7.419 1.00 0.00 N ATOM 690 CA PRO A 45 -20.762 -8.110 -7.555 1.00 0.00 C ATOM 691 C PRO A 45 -20.708 -8.850 -8.893 1.00 0.00 C ATOM 692 O PRO A 45 -20.415 -8.250 -9.927 1.00 0.00 O ATOM 693 CB PRO A 45 -22.000 -7.241 -7.408 1.00 0.00 C ATOM 694 CG PRO A 45 -21.540 -5.814 -7.659 1.00 0.00 C ATOM 695 CD PRO A 45 -20.021 -5.797 -7.603 1.00 0.00 C ATOM 0 HA PRO A 45 -20.753 -8.899 -6.803 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -22.770 -7.534 -8.122 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -22.432 -7.343 -6.413 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -21.890 -5.465 -8.631 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -21.957 -5.141 -6.910 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -19.595 -5.389 -8.520 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -19.662 -5.178 -6.781 1.00 0.00 H new ATOM 703 N VAL A 46 -20.994 -10.142 -8.831 1.00 0.00 N ATOM 704 CA VAL A 46 -20.981 -10.970 -10.025 1.00 0.00 C ATOM 705 C VAL A 46 -22.330 -10.851 -10.738 1.00 0.00 C ATOM 706 O VAL A 46 -22.485 -10.039 -11.648 1.00 0.00 O ATOM 707 CB VAL A 46 -20.624 -12.411 -9.659 1.00 0.00 C ATOM 708 CG1 VAL A 46 -20.985 -13.372 -10.793 1.00 0.00 C ATOM 709 CG2 VAL A 46 -19.144 -12.532 -9.289 1.00 0.00 C ATOM 0 H VAL A 46 -21.236 -10.636 -7.972 1.00 0.00 H new ATOM 0 HA VAL A 46 -20.215 -10.626 -10.719 1.00 0.00 H new ATOM 0 HB VAL A 46 -21.213 -12.689 -8.785 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -20.720 -14.390 -10.506 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -22.056 -13.317 -10.989 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -20.436 -13.095 -11.693 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -18.916 -13.567 -9.033 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -18.531 -12.225 -10.136 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -18.929 -11.891 -8.434 1.00 0.00 H new ATOM 719 N GLY A 47 -23.270 -11.673 -10.297 1.00 0.00 N ATOM 720 CA GLY A 47 -24.601 -11.671 -10.880 1.00 0.00 C ATOM 721 C GLY A 47 -25.662 -11.995 -9.828 1.00 0.00 C ATOM 722 O GLY A 47 -26.689 -11.322 -9.748 1.00 0.00 O ATOM 0 H GLY A 47 -23.136 -12.346 -9.542 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -24.807 -10.696 -11.321 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -24.649 -12.402 -11.687 1.00 0.00 H new ATOM 726 N TYR A 48 -25.379 -13.027 -9.046 1.00 0.00 N ATOM 727 CA TYR A 48 -26.296 -13.449 -8.002 1.00 0.00 C ATOM 728 C TYR A 48 -26.210 -12.520 -6.788 1.00 0.00 C ATOM 729 O TYR A 48 -25.783 -11.373 -6.909 1.00 0.00 O ATOM 730 CB TYR A 48 -25.848 -14.851 -7.588 1.00 0.00 C ATOM 731 CG TYR A 48 -26.998 -15.848 -7.422 1.00 0.00 C ATOM 732 CD1 TYR A 48 -27.685 -16.300 -8.529 1.00 0.00 C ATOM 733 CD2 TYR A 48 -27.347 -16.294 -6.163 1.00 0.00 C ATOM 734 CE1 TYR A 48 -28.767 -17.238 -8.373 1.00 0.00 C ATOM 735 CE2 TYR A 48 -28.429 -17.231 -6.006 1.00 0.00 C ATOM 736 CZ TYR A 48 -29.085 -17.657 -7.118 1.00 0.00 C ATOM 737 OH TYR A 48 -30.107 -18.542 -6.970 1.00 0.00 O ATOM 0 H TYR A 48 -24.527 -13.583 -9.115 1.00 0.00 H new ATOM 0 HA TYR A 48 -27.324 -13.428 -8.363 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -25.153 -15.235 -8.335 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -25.300 -14.784 -6.648 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -27.412 -15.950 -9.514 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -26.809 -15.940 -5.296 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -29.313 -17.600 -9.232 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -28.713 -17.587 -5.027 1.00 0.00 H new ATOM 0 HH TYR A 48 -30.222 -18.754 -6.020 1.00 0.00 H new ATOM 747 N GLY A 49 -26.622 -13.052 -5.646 1.00 0.00 N ATOM 748 CA GLY A 49 -26.597 -12.285 -4.412 1.00 0.00 C ATOM 749 C GLY A 49 -25.230 -12.386 -3.733 1.00 0.00 C ATOM 750 O GLY A 49 -25.084 -12.022 -2.567 1.00 0.00 O ATOM 0 H GLY A 49 -26.975 -14.004 -5.550 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -26.826 -11.241 -4.624 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -27.371 -12.650 -3.737 1.00 0.00 H new ATOM 754 N ILE A 50 -24.263 -12.880 -4.491 1.00 0.00 N ATOM 755 CA ILE A 50 -22.912 -13.033 -3.977 1.00 0.00 C ATOM 756 C ILE A 50 -22.032 -11.908 -4.525 1.00 0.00 C ATOM 757 O ILE A 50 -22.359 -11.299 -5.544 1.00 0.00 O ATOM 758 CB ILE A 50 -22.379 -14.434 -4.280 1.00 0.00 C ATOM 759 CG1 ILE A 50 -23.078 -15.485 -3.416 1.00 0.00 C ATOM 760 CG2 ILE A 50 -20.857 -14.486 -4.127 1.00 0.00 C ATOM 761 CD1 ILE A 50 -24.347 -15.999 -4.097 1.00 0.00 C ATOM 0 H ILE A 50 -24.388 -13.180 -5.458 1.00 0.00 H new ATOM 0 HA ILE A 50 -22.905 -12.943 -2.891 1.00 0.00 H new ATOM 0 HB ILE A 50 -22.607 -14.669 -5.320 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -22.399 -16.317 -3.229 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -23.330 -15.055 -2.447 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -20.503 -15.493 -4.348 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -20.397 -13.780 -4.819 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -20.585 -14.222 -3.105 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -24.824 -16.745 -3.462 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -25.034 -15.169 -4.261 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -24.089 -16.450 -5.055 1.00 0.00 H new ATOM 773 N LYS A 51 -20.933 -11.664 -3.826 1.00 0.00 N ATOM 774 CA LYS A 51 -20.004 -10.623 -4.230 1.00 0.00 C ATOM 775 C LYS A 51 -18.571 -11.135 -4.072 1.00 0.00 C ATOM 776 O LYS A 51 -18.346 -12.183 -3.468 1.00 0.00 O ATOM 777 CB LYS A 51 -20.284 -9.329 -3.464 1.00 0.00 C ATOM 778 CG LYS A 51 -21.611 -8.708 -3.902 1.00 0.00 C ATOM 779 CD LYS A 51 -22.335 -8.068 -2.716 1.00 0.00 C ATOM 780 CE LYS A 51 -22.500 -6.560 -2.921 1.00 0.00 C ATOM 781 NZ LYS A 51 -22.935 -5.910 -1.665 1.00 0.00 N ATOM 0 H LYS A 51 -20.665 -12.170 -2.982 1.00 0.00 H new ATOM 0 HA LYS A 51 -20.140 -10.378 -5.283 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -20.310 -9.534 -2.394 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.474 -8.620 -3.633 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -21.429 -7.956 -4.670 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -22.245 -9.474 -4.349 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -23.314 -8.531 -2.591 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -21.775 -8.255 -1.800 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -21.557 -6.127 -3.253 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -23.232 -6.372 -3.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -23.042 -4.888 -1.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -23.846 -6.311 -1.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -22.223 -6.074 -0.925 1.00 0.00 H new ATOM 795 N LYS A 52 -17.639 -10.371 -4.624 1.00 0.00 N ATOM 796 CA LYS A 52 -16.234 -10.734 -4.550 1.00 0.00 C ATOM 797 C LYS A 52 -15.631 -10.166 -3.264 1.00 0.00 C ATOM 798 O LYS A 52 -15.990 -9.070 -2.838 1.00 0.00 O ATOM 799 CB LYS A 52 -15.501 -10.295 -5.820 1.00 0.00 C ATOM 800 CG LYS A 52 -14.848 -11.490 -6.517 1.00 0.00 C ATOM 801 CD LYS A 52 -14.001 -11.036 -7.707 1.00 0.00 C ATOM 802 CE LYS A 52 -14.416 -11.765 -8.986 1.00 0.00 C ATOM 803 NZ LYS A 52 -13.540 -11.374 -10.114 1.00 0.00 N ATOM 0 H LYS A 52 -17.830 -9.503 -5.124 1.00 0.00 H new ATOM 0 HA LYS A 52 -16.122 -11.817 -4.502 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -16.202 -9.811 -6.500 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -14.740 -9.556 -5.568 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -14.223 -12.032 -5.807 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -15.618 -12.182 -6.857 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -14.110 -9.960 -7.846 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -12.948 -11.226 -7.502 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -14.361 -12.843 -8.832 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -15.453 -11.530 -9.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -13.836 -11.878 -10.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -13.613 -10.349 -10.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -12.555 -11.620 -9.890 1.00 0.00 H new ATOM 817 N LEU A 53 -14.725 -10.938 -2.682 1.00 0.00 N ATOM 818 CA LEU A 53 -14.069 -10.526 -1.454 1.00 0.00 C ATOM 819 C LEU A 53 -12.678 -9.980 -1.782 1.00 0.00 C ATOM 820 O LEU A 53 -11.673 -10.652 -1.551 1.00 0.00 O ATOM 821 CB LEU A 53 -14.056 -11.673 -0.442 1.00 0.00 C ATOM 822 CG LEU A 53 -14.627 -11.355 0.942 1.00 0.00 C ATOM 823 CD1 LEU A 53 -13.637 -10.529 1.766 1.00 0.00 C ATOM 824 CD2 LEU A 53 -15.990 -10.669 0.828 1.00 0.00 C ATOM 0 H LEU A 53 -14.430 -11.847 -3.039 1.00 0.00 H new ATOM 0 HA LEU A 53 -14.625 -9.718 -0.978 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -14.618 -12.507 -0.862 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -13.027 -12.011 -0.319 1.00 0.00 H new ATOM 0 HG LEU A 53 -14.783 -12.295 1.472 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -14.067 -10.316 2.745 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -12.710 -11.090 1.890 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -13.428 -9.592 1.250 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -16.374 -10.454 1.825 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -15.883 -9.738 0.272 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -16.685 -11.326 0.306 1.00 0.00 H new ATOM 836 N GLN A 54 -12.664 -8.767 -2.314 1.00 0.00 N ATOM 837 CA GLN A 54 -11.413 -8.123 -2.676 1.00 0.00 C ATOM 838 C GLN A 54 -10.966 -7.168 -1.568 1.00 0.00 C ATOM 839 O GLN A 54 -11.795 -6.508 -0.941 1.00 0.00 O ATOM 840 CB GLN A 54 -11.539 -7.390 -4.013 1.00 0.00 C ATOM 841 CG GLN A 54 -10.366 -6.433 -4.227 1.00 0.00 C ATOM 842 CD GLN A 54 -9.934 -6.415 -5.695 1.00 0.00 C ATOM 843 OE1 GLN A 54 -10.072 -5.427 -6.398 1.00 0.00 O ATOM 844 NE2 GLN A 54 -9.404 -7.559 -6.117 1.00 0.00 N ATOM 0 H GLN A 54 -13.499 -8.213 -2.503 1.00 0.00 H new ATOM 0 HA GLN A 54 -10.652 -8.895 -2.792 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.575 -8.114 -4.827 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -12.476 -6.834 -4.040 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -10.650 -5.428 -3.916 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -9.527 -6.735 -3.601 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.318 -8.348 -5.476 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.084 -7.648 -7.081 1.00 0.00 H new ATOM 853 N ILE A 55 -9.659 -7.125 -1.358 1.00 0.00 N ATOM 854 CA ILE A 55 -9.093 -6.262 -0.335 1.00 0.00 C ATOM 855 C ILE A 55 -7.709 -5.785 -0.785 1.00 0.00 C ATOM 856 O ILE A 55 -7.032 -6.469 -1.550 1.00 0.00 O ATOM 857 CB ILE A 55 -9.088 -6.970 1.021 1.00 0.00 C ATOM 858 CG1 ILE A 55 -7.663 -7.328 1.449 1.00 0.00 C ATOM 859 CG2 ILE A 55 -10.006 -8.194 1.004 1.00 0.00 C ATOM 860 CD1 ILE A 55 -7.083 -8.426 0.556 1.00 0.00 C ATOM 0 H ILE A 55 -8.975 -7.674 -1.879 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.710 -5.373 -0.202 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.484 -6.281 1.767 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.031 -6.442 1.399 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.664 -7.661 2.487 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -9.984 -8.679 1.980 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -11.025 -7.881 0.777 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -9.664 -8.895 0.243 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.070 -8.662 0.881 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.704 -9.319 0.627 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.061 -8.081 -0.478 1.00 0.00 H new ATOM 872 N GLN A 56 -7.333 -4.615 -0.290 1.00 0.00 N ATOM 873 CA GLN A 56 -6.044 -4.039 -0.631 1.00 0.00 C ATOM 874 C GLN A 56 -5.325 -3.561 0.633 1.00 0.00 C ATOM 875 O GLN A 56 -5.948 -2.997 1.530 1.00 0.00 O ATOM 876 CB GLN A 56 -6.201 -2.898 -1.637 1.00 0.00 C ATOM 877 CG GLN A 56 -4.844 -2.290 -1.995 1.00 0.00 C ATOM 878 CD GLN A 56 -4.905 -0.761 -1.974 1.00 0.00 C ATOM 879 OE1 GLN A 56 -5.942 -0.153 -2.178 1.00 0.00 O ATOM 880 NE2 GLN A 56 -3.737 -0.177 -1.718 1.00 0.00 N ATOM 0 H GLN A 56 -7.898 -4.051 0.344 1.00 0.00 H new ATOM 0 HA GLN A 56 -5.436 -4.812 -1.101 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -6.686 -3.269 -2.540 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.850 -2.128 -1.220 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -4.089 -2.637 -1.290 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -4.538 -2.632 -2.984 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -2.907 -0.747 -1.556 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -3.672 0.840 -1.683 1.00 0.00 H new ATOM 889 N CYS A 57 -4.023 -3.804 0.662 1.00 0.00 N ATOM 890 CA CYS A 57 -3.213 -3.405 1.801 1.00 0.00 C ATOM 891 C CYS A 57 -1.995 -2.640 1.280 1.00 0.00 C ATOM 892 O CYS A 57 -1.924 -2.311 0.097 1.00 0.00 O ATOM 893 CB CYS A 57 -2.807 -4.607 2.656 1.00 0.00 C ATOM 894 SG CYS A 57 -2.753 -4.130 4.422 1.00 0.00 S ATOM 0 H CYS A 57 -3.509 -4.272 -0.084 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.796 -2.757 2.455 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -3.517 -5.422 2.513 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -1.831 -4.975 2.340 1.00 0.00 H new ATOM 0 HG CYS A 57 -3.952 -4.179 4.921 1.00 0.00 H new ATOM 900 N VAL A 58 -1.067 -2.378 2.188 1.00 0.00 N ATOM 901 CA VAL A 58 0.144 -1.657 1.835 1.00 0.00 C ATOM 902 C VAL A 58 1.266 -2.051 2.797 1.00 0.00 C ATOM 903 O VAL A 58 1.644 -1.269 3.669 1.00 0.00 O ATOM 904 CB VAL A 58 -0.129 -0.151 1.819 1.00 0.00 C ATOM 905 CG1 VAL A 58 1.121 0.628 1.404 1.00 0.00 C ATOM 906 CG2 VAL A 58 -1.311 0.181 0.906 1.00 0.00 C ATOM 0 H VAL A 58 -1.129 -2.652 3.168 1.00 0.00 H new ATOM 0 HA VAL A 58 0.469 -1.925 0.830 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.392 0.154 2.832 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.900 1.695 1.401 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.927 0.426 2.110 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.428 0.318 0.405 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.484 1.257 0.912 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.089 -0.145 -0.110 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.203 -0.332 1.265 1.00 0.00 H new ATOM 916 N VAL A 59 1.767 -3.262 2.608 1.00 0.00 N ATOM 917 CA VAL A 59 2.838 -3.769 3.449 1.00 0.00 C ATOM 918 C VAL A 59 4.186 -3.446 2.800 1.00 0.00 C ATOM 919 O VAL A 59 4.234 -2.929 1.685 1.00 0.00 O ATOM 920 CB VAL A 59 2.640 -5.266 3.702 1.00 0.00 C ATOM 921 CG1 VAL A 59 1.154 -5.621 3.755 1.00 0.00 C ATOM 922 CG2 VAL A 59 3.368 -6.101 2.647 1.00 0.00 C ATOM 0 H VAL A 59 1.451 -3.908 1.884 1.00 0.00 H new ATOM 0 HA VAL A 59 2.821 -3.283 4.424 1.00 0.00 H new ATOM 0 HB VAL A 59 3.074 -5.502 4.673 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.042 -6.690 3.936 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.675 -5.064 4.561 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.684 -5.362 2.806 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.211 -7.160 2.850 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.978 -5.859 1.659 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.435 -5.879 2.680 1.00 0.00 H new ATOM 932 N GLU A 60 5.248 -3.764 3.527 1.00 0.00 N ATOM 933 CA GLU A 60 6.592 -3.513 3.037 1.00 0.00 C ATOM 934 C GLU A 60 7.031 -4.634 2.094 1.00 0.00 C ATOM 935 O GLU A 60 6.333 -5.639 1.951 1.00 0.00 O ATOM 936 CB GLU A 60 7.578 -3.355 4.196 1.00 0.00 C ATOM 937 CG GLU A 60 7.913 -1.881 4.434 1.00 0.00 C ATOM 938 CD GLU A 60 7.108 -1.318 5.607 1.00 0.00 C ATOM 939 OE1 GLU A 60 5.956 -1.725 5.820 1.00 0.00 O ATOM 940 OE2 GLU A 60 7.720 -0.427 6.310 1.00 0.00 O ATOM 0 H GLU A 60 5.204 -4.193 4.451 1.00 0.00 H new ATOM 0 HA GLU A 60 6.585 -2.577 2.479 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.152 -3.786 5.102 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.491 -3.909 3.979 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.979 -1.775 4.636 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.700 -1.306 3.533 1.00 0.00 H new ATOM 947 N ASP A 61 8.183 -4.427 1.474 1.00 0.00 N ATOM 948 CA ASP A 61 8.723 -5.408 0.548 1.00 0.00 C ATOM 949 C ASP A 61 9.537 -6.443 1.327 1.00 0.00 C ATOM 950 O ASP A 61 10.220 -7.276 0.732 1.00 0.00 O ATOM 951 CB ASP A 61 9.650 -4.749 -0.475 1.00 0.00 C ATOM 952 CG ASP A 61 11.076 -4.492 0.016 1.00 0.00 C ATOM 953 OD1 ASP A 61 11.161 -3.913 1.166 1.00 0.00 O ATOM 954 OD2 ASP A 61 12.056 -4.829 -0.665 1.00 0.00 O ATOM 0 H ASP A 61 8.758 -3.593 1.595 1.00 0.00 H new ATOM 0 HA ASP A 61 7.888 -5.876 0.027 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.696 -5.381 -1.362 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.211 -3.800 -0.782 1.00 0.00 H new ATOM 959 N ASP A 62 9.439 -6.357 2.645 1.00 0.00 N ATOM 960 CA ASP A 62 10.158 -7.276 3.511 1.00 0.00 C ATOM 961 C ASP A 62 9.387 -7.445 4.821 1.00 0.00 C ATOM 962 O ASP A 62 9.973 -7.761 5.854 1.00 0.00 O ATOM 963 CB ASP A 62 11.551 -6.739 3.849 1.00 0.00 C ATOM 964 CG ASP A 62 12.664 -7.789 3.856 1.00 0.00 C ATOM 965 OD1 ASP A 62 12.745 -8.640 2.957 1.00 0.00 O ATOM 966 OD2 ASP A 62 13.482 -7.709 4.850 1.00 0.00 O ATOM 0 H ASP A 62 8.872 -5.665 3.135 1.00 0.00 H new ATOM 0 HA ASP A 62 10.255 -8.227 2.987 1.00 0.00 H new ATOM 0 HB2 ASP A 62 11.809 -5.962 3.129 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.513 -6.265 4.830 1.00 0.00 H new ATOM 971 N LYS A 63 8.083 -7.226 4.736 1.00 0.00 N ATOM 972 CA LYS A 63 7.225 -7.350 5.902 1.00 0.00 C ATOM 973 C LYS A 63 6.279 -8.537 5.710 1.00 0.00 C ATOM 974 O LYS A 63 6.602 -9.661 6.092 1.00 0.00 O ATOM 975 CB LYS A 63 6.505 -6.029 6.180 1.00 0.00 C ATOM 976 CG LYS A 63 7.294 -5.172 7.173 1.00 0.00 C ATOM 977 CD LYS A 63 8.666 -4.803 6.607 1.00 0.00 C ATOM 978 CE LYS A 63 9.785 -5.227 7.561 1.00 0.00 C ATOM 979 NZ LYS A 63 11.065 -4.594 7.172 1.00 0.00 N ATOM 0 H LYS A 63 7.600 -6.963 3.877 1.00 0.00 H new ATOM 0 HA LYS A 63 7.819 -7.556 6.792 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.371 -5.481 5.248 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.510 -6.230 6.578 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.734 -4.265 7.401 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.417 -5.715 8.110 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.806 -5.285 5.640 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.716 -3.727 6.437 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.528 -4.944 8.582 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.890 -6.312 7.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.857 -5.137 7.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 11.144 -4.580 6.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.095 -3.620 7.535 1.00 0.00 H new ATOM 993 N VAL A 64 5.130 -8.248 5.118 1.00 0.00 N ATOM 994 CA VAL A 64 4.135 -9.277 4.870 1.00 0.00 C ATOM 995 C VAL A 64 4.063 -9.560 3.369 1.00 0.00 C ATOM 996 O VAL A 64 4.279 -8.665 2.554 1.00 0.00 O ATOM 997 CB VAL A 64 2.789 -8.859 5.466 1.00 0.00 C ATOM 998 CG1 VAL A 64 1.777 -10.005 5.394 1.00 0.00 C ATOM 999 CG2 VAL A 64 2.956 -8.363 6.904 1.00 0.00 C ATOM 0 H VAL A 64 4.866 -7.315 4.802 1.00 0.00 H new ATOM 0 HA VAL A 64 4.417 -10.208 5.362 1.00 0.00 H new ATOM 0 HB VAL A 64 2.401 -8.033 4.870 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.829 -9.681 5.824 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.624 -10.291 4.353 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.156 -10.861 5.953 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.985 -8.072 7.304 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.377 -9.160 7.517 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.626 -7.503 6.917 1.00 0.00 H new ATOM 1009 N GLY A 65 3.757 -10.809 3.048 1.00 0.00 N ATOM 1010 CA GLY A 65 3.652 -11.220 1.659 1.00 0.00 C ATOM 1011 C GLY A 65 2.205 -11.558 1.293 1.00 0.00 C ATOM 1012 O GLY A 65 1.493 -10.726 0.735 1.00 0.00 O ATOM 0 H GLY A 65 3.579 -11.549 3.727 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.017 -10.423 1.012 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.287 -12.089 1.484 1.00 0.00 H new ATOM 1016 N THR A 66 1.815 -12.780 1.625 1.00 0.00 N ATOM 1017 CA THR A 66 0.466 -13.238 1.338 1.00 0.00 C ATOM 1018 C THR A 66 0.204 -14.584 2.017 1.00 0.00 C ATOM 1019 O THR A 66 -0.882 -14.816 2.545 1.00 0.00 O ATOM 1020 CB THR A 66 0.293 -13.279 -0.181 1.00 0.00 C ATOM 1021 OG1 THR A 66 -0.162 -11.971 -0.515 1.00 0.00 O ATOM 1022 CG2 THR A 66 -0.854 -14.195 -0.616 1.00 0.00 C ATOM 0 H THR A 66 2.409 -13.467 2.090 1.00 0.00 H new ATOM 0 HA THR A 66 -0.279 -12.554 1.745 1.00 0.00 H new ATOM 0 HB THR A 66 1.221 -13.616 -0.642 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.041 -11.356 0.221 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.933 -14.188 -1.703 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.658 -15.211 -0.273 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.788 -13.839 -0.182 1.00 0.00 H new ATOM 1030 N ASP A 67 1.218 -15.436 1.980 1.00 0.00 N ATOM 1031 CA ASP A 67 1.112 -16.752 2.585 1.00 0.00 C ATOM 1032 C ASP A 67 0.473 -16.623 3.969 1.00 0.00 C ATOM 1033 O ASP A 67 -0.558 -17.236 4.241 1.00 0.00 O ATOM 1034 CB ASP A 67 2.491 -17.392 2.759 1.00 0.00 C ATOM 1035 CG ASP A 67 3.573 -16.457 3.302 1.00 0.00 C ATOM 1036 OD1 ASP A 67 4.018 -15.528 2.614 1.00 0.00 O ATOM 1037 OD2 ASP A 67 3.967 -16.719 4.502 1.00 0.00 O ATOM 0 H ASP A 67 2.117 -15.240 1.540 1.00 0.00 H new ATOM 0 HA ASP A 67 0.505 -17.376 1.929 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.397 -18.244 3.432 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.819 -17.781 1.795 1.00 0.00 H new ATOM 1042 N MET A 68 1.112 -15.821 4.808 1.00 0.00 N ATOM 1043 CA MET A 68 0.618 -15.603 6.157 1.00 0.00 C ATOM 1044 C MET A 68 -0.817 -15.073 6.138 1.00 0.00 C ATOM 1045 O MET A 68 -1.723 -15.706 6.677 1.00 0.00 O ATOM 1046 CB MET A 68 1.523 -14.600 6.876 1.00 0.00 C ATOM 1047 CG MET A 68 1.597 -14.904 8.374 1.00 0.00 C ATOM 1048 SD MET A 68 -0.040 -14.874 9.084 1.00 0.00 S ATOM 1049 CE MET A 68 -0.485 -13.175 8.766 1.00 0.00 C ATOM 0 H MET A 68 1.967 -15.314 4.580 1.00 0.00 H new ATOM 0 HA MET A 68 0.625 -16.557 6.684 1.00 0.00 H new ATOM 0 HB2 MET A 68 2.523 -14.633 6.445 1.00 0.00 H new ATOM 0 HB3 MET A 68 1.144 -13.589 6.725 1.00 0.00 H new ATOM 0 HG2 MET A 68 2.054 -15.881 8.533 1.00 0.00 H new ATOM 0 HG3 MET A 68 2.232 -14.171 8.871 1.00 0.00 H new ATOM 0 HE1 MET A 68 -0.840 -12.713 9.687 1.00 0.00 H new ATOM 0 HE2 MET A 68 0.387 -12.633 8.401 1.00 0.00 H new ATOM 0 HE3 MET A 68 -1.274 -13.140 8.015 1.00 0.00 H new ATOM 1059 N LEU A 69 -0.978 -13.918 5.510 1.00 0.00 N ATOM 1060 CA LEU A 69 -2.288 -13.295 5.413 1.00 0.00 C ATOM 1061 C LEU A 69 -3.299 -14.323 4.902 1.00 0.00 C ATOM 1062 O LEU A 69 -4.474 -14.275 5.264 1.00 0.00 O ATOM 1063 CB LEU A 69 -2.216 -12.026 4.562 1.00 0.00 C ATOM 1064 CG LEU A 69 -1.526 -10.823 5.208 1.00 0.00 C ATOM 1065 CD1 LEU A 69 -1.404 -9.663 4.217 1.00 0.00 C ATOM 1066 CD2 LEU A 69 -2.244 -10.405 6.493 1.00 0.00 C ATOM 0 H LEU A 69 -0.224 -13.397 5.063 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.631 -12.972 6.396 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.695 -12.264 3.635 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.231 -11.735 4.292 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.514 -11.118 5.485 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.910 -8.821 4.702 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.817 -9.981 3.355 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.398 -9.360 3.887 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.734 -9.548 6.933 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.275 -10.135 6.263 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.236 -11.234 7.201 1.00 0.00 H new ATOM 1078 N GLU A 70 -2.806 -15.227 4.069 1.00 0.00 N ATOM 1079 CA GLU A 70 -3.652 -16.264 3.505 1.00 0.00 C ATOM 1080 C GLU A 70 -4.009 -17.299 4.574 1.00 0.00 C ATOM 1081 O GLU A 70 -5.185 -17.541 4.841 1.00 0.00 O ATOM 1082 CB GLU A 70 -2.977 -16.930 2.303 1.00 0.00 C ATOM 1083 CG GLU A 70 -3.816 -18.097 1.779 1.00 0.00 C ATOM 1084 CD GLU A 70 -2.965 -19.049 0.938 1.00 0.00 C ATOM 1085 OE1 GLU A 70 -1.815 -19.339 1.301 1.00 0.00 O ATOM 1086 OE2 GLU A 70 -3.538 -19.495 -0.128 1.00 0.00 O ATOM 0 H GLU A 70 -1.831 -15.263 3.771 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.574 -15.801 3.153 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.833 -16.196 1.510 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.988 -17.288 2.589 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.255 -18.639 2.617 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -4.642 -17.715 1.179 1.00 0.00 H new ATOM 1093 N GLU A 71 -2.972 -17.882 5.158 1.00 0.00 N ATOM 1094 CA GLU A 71 -3.162 -18.885 6.192 1.00 0.00 C ATOM 1095 C GLU A 71 -3.991 -18.311 7.342 1.00 0.00 C ATOM 1096 O GLU A 71 -4.522 -19.058 8.162 1.00 0.00 O ATOM 1097 CB GLU A 71 -1.817 -19.412 6.696 1.00 0.00 C ATOM 1098 CG GLU A 71 -1.432 -20.707 5.978 1.00 0.00 C ATOM 1099 CD GLU A 71 -1.685 -21.925 6.870 1.00 0.00 C ATOM 1100 OE1 GLU A 71 -0.698 -22.260 7.628 1.00 0.00 O ATOM 1101 OE2 GLU A 71 -2.778 -22.510 6.824 1.00 0.00 O ATOM 0 H GLU A 71 -1.998 -17.679 4.935 1.00 0.00 H new ATOM 0 HA GLU A 71 -3.707 -19.725 5.761 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.045 -18.660 6.536 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.871 -19.590 7.770 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -2.007 -20.801 5.057 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -0.380 -20.671 5.695 1.00 0.00 H new ATOM 1108 N GLN A 72 -4.077 -16.989 7.366 1.00 0.00 N ATOM 1109 CA GLN A 72 -4.834 -16.306 8.402 1.00 0.00 C ATOM 1110 C GLN A 72 -6.215 -15.911 7.877 1.00 0.00 C ATOM 1111 O GLN A 72 -7.217 -16.075 8.570 1.00 0.00 O ATOM 1112 CB GLN A 72 -4.074 -15.084 8.920 1.00 0.00 C ATOM 1113 CG GLN A 72 -4.867 -14.369 10.016 1.00 0.00 C ATOM 1114 CD GLN A 72 -4.049 -14.264 11.305 1.00 0.00 C ATOM 1115 OE1 GLN A 72 -2.857 -14.522 11.337 1.00 0.00 O ATOM 1116 NE2 GLN A 72 -4.754 -13.870 12.361 1.00 0.00 N ATOM 0 H GLN A 72 -3.635 -16.372 6.684 1.00 0.00 H new ATOM 0 HA GLN A 72 -4.968 -16.991 9.239 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -3.104 -15.393 9.310 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -3.882 -14.395 8.097 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -5.146 -13.372 9.676 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -5.793 -14.910 10.212 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -5.750 -13.670 12.264 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -4.299 -13.767 13.268 1.00 0.00 H new ATOM 1125 N ILE A 73 -6.224 -15.398 6.655 1.00 0.00 N ATOM 1126 CA ILE A 73 -7.467 -14.978 6.029 1.00 0.00 C ATOM 1127 C ILE A 73 -8.247 -16.212 5.574 1.00 0.00 C ATOM 1128 O ILE A 73 -9.371 -16.439 6.018 1.00 0.00 O ATOM 1129 CB ILE A 73 -7.188 -13.978 4.905 1.00 0.00 C ATOM 1130 CG1 ILE A 73 -6.585 -12.685 5.458 1.00 0.00 C ATOM 1131 CG2 ILE A 73 -8.450 -13.714 4.080 1.00 0.00 C ATOM 1132 CD1 ILE A 73 -5.866 -11.901 4.357 1.00 0.00 C ATOM 0 H ILE A 73 -5.391 -15.264 6.082 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.096 -14.451 6.746 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.450 -14.417 4.234 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -7.372 -12.069 5.893 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.884 -12.920 6.259 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.224 -13.000 3.288 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -8.798 -14.648 3.638 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -9.228 -13.306 4.725 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.446 -10.986 4.776 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -5.064 -12.511 3.941 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.575 -11.647 3.569 1.00 0.00 H new ATOM 1144 N THR A 74 -7.619 -16.979 4.695 1.00 0.00 N ATOM 1145 CA THR A 74 -8.240 -18.186 4.175 1.00 0.00 C ATOM 1146 C THR A 74 -8.388 -19.229 5.284 1.00 0.00 C ATOM 1147 O THR A 74 -9.104 -20.216 5.121 1.00 0.00 O ATOM 1148 CB THR A 74 -7.407 -18.673 2.989 1.00 0.00 C ATOM 1149 OG1 THR A 74 -6.254 -19.257 3.591 1.00 0.00 O ATOM 1150 CG2 THR A 74 -6.847 -17.520 2.152 1.00 0.00 C ATOM 0 H THR A 74 -6.686 -16.788 4.329 1.00 0.00 H new ATOM 0 HA THR A 74 -9.252 -17.989 3.820 1.00 0.00 H new ATOM 0 HB THR A 74 -8.019 -19.316 2.356 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.975 -18.714 4.358 1.00 0.00 H new ATOM 0 HG21 THR A 74 -6.264 -17.922 1.323 1.00 0.00 H new ATOM 0 HG22 THR A 74 -7.670 -16.922 1.760 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.208 -16.894 2.776 1.00 0.00 H new ATOM 1158 N ALA A 75 -7.699 -18.975 6.387 1.00 0.00 N ATOM 1159 CA ALA A 75 -7.745 -19.882 7.522 1.00 0.00 C ATOM 1160 C ALA A 75 -9.198 -20.278 7.794 1.00 0.00 C ATOM 1161 O ALA A 75 -9.461 -21.345 8.346 1.00 0.00 O ATOM 1162 CB ALA A 75 -7.085 -19.217 8.732 1.00 0.00 C ATOM 0 H ALA A 75 -7.106 -18.155 6.519 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.190 -20.795 7.308 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.119 -19.896 9.584 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.047 -18.982 8.497 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.618 -18.299 8.979 1.00 0.00 H new ATOM 1168 N PHE A 76 -10.103 -19.397 7.395 1.00 0.00 N ATOM 1169 CA PHE A 76 -11.522 -19.641 7.589 1.00 0.00 C ATOM 1170 C PHE A 76 -12.117 -20.396 6.400 1.00 0.00 C ATOM 1171 O PHE A 76 -12.758 -19.799 5.537 1.00 0.00 O ATOM 1172 CB PHE A 76 -12.201 -18.274 7.700 1.00 0.00 C ATOM 1173 CG PHE A 76 -12.601 -17.892 9.127 1.00 0.00 C ATOM 1174 CD1 PHE A 76 -13.417 -18.708 9.846 1.00 0.00 C ATOM 1175 CD2 PHE A 76 -12.142 -16.736 9.676 1.00 0.00 C ATOM 1176 CE1 PHE A 76 -13.789 -18.354 11.169 1.00 0.00 C ATOM 1177 CE2 PHE A 76 -12.513 -16.381 10.999 1.00 0.00 C ATOM 1178 CZ PHE A 76 -13.329 -17.197 11.718 1.00 0.00 C ATOM 0 H PHE A 76 -9.881 -18.513 6.938 1.00 0.00 H new ATOM 0 HA PHE A 76 -11.675 -20.246 8.483 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -11.528 -17.512 7.306 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -13.091 -18.270 7.071 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -13.782 -19.626 9.410 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.494 -16.087 9.105 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -14.437 -19.003 11.740 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -12.147 -15.463 11.435 1.00 0.00 H new ATOM 0 HZ PHE A 76 -13.612 -16.927 12.725 1.00 0.00 H new ATOM 1188 N GLU A 77 -11.881 -21.700 6.390 1.00 0.00 N ATOM 1189 CA GLU A 77 -12.384 -22.544 5.320 1.00 0.00 C ATOM 1190 C GLU A 77 -13.903 -22.690 5.429 1.00 0.00 C ATOM 1191 O GLU A 77 -14.537 -23.285 4.559 1.00 0.00 O ATOM 1192 CB GLU A 77 -11.700 -23.913 5.333 1.00 0.00 C ATOM 1193 CG GLU A 77 -10.848 -24.112 4.078 1.00 0.00 C ATOM 1194 CD GLU A 77 -10.424 -25.575 3.929 1.00 0.00 C ATOM 1195 OE1 GLU A 77 -9.716 -26.039 4.902 1.00 0.00 O ATOM 1196 OE2 GLU A 77 -10.763 -26.220 2.926 1.00 0.00 O ATOM 0 H GLU A 77 -11.348 -22.193 7.107 1.00 0.00 H new ATOM 0 HA GLU A 77 -12.151 -22.067 4.368 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.073 -24.002 6.220 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.453 -24.699 5.394 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -11.412 -23.802 3.198 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.964 -23.477 4.130 1.00 0.00 H new ATOM 1203 N ASP A 78 -14.442 -22.137 6.506 1.00 0.00 N ATOM 1204 CA ASP A 78 -15.876 -22.198 6.740 1.00 0.00 C ATOM 1205 C ASP A 78 -16.530 -20.924 6.201 1.00 0.00 C ATOM 1206 O ASP A 78 -17.707 -20.671 6.456 1.00 0.00 O ATOM 1207 CB ASP A 78 -16.186 -22.292 8.234 1.00 0.00 C ATOM 1208 CG ASP A 78 -17.496 -23.004 8.579 1.00 0.00 C ATOM 1209 OD1 ASP A 78 -17.539 -24.253 8.258 1.00 0.00 O ATOM 1210 OD2 ASP A 78 -18.428 -22.396 9.127 1.00 0.00 O ATOM 0 H ASP A 78 -13.913 -21.645 7.226 1.00 0.00 H new ATOM 0 HA ASP A 78 -16.263 -23.083 6.235 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -15.366 -22.813 8.728 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -16.218 -21.284 8.647 1.00 0.00 H new ATOM 1215 N TYR A 79 -15.740 -20.156 5.466 1.00 0.00 N ATOM 1216 CA TYR A 79 -16.228 -18.915 4.889 1.00 0.00 C ATOM 1217 C TYR A 79 -15.589 -18.656 3.523 1.00 0.00 C ATOM 1218 O TYR A 79 -16.274 -18.272 2.576 1.00 0.00 O ATOM 1219 CB TYR A 79 -15.806 -17.807 5.854 1.00 0.00 C ATOM 1220 CG TYR A 79 -16.463 -17.897 7.233 1.00 0.00 C ATOM 1221 CD1 TYR A 79 -16.005 -18.814 8.156 1.00 0.00 C ATOM 1222 CD2 TYR A 79 -17.515 -17.061 7.551 1.00 0.00 C ATOM 1223 CE1 TYR A 79 -16.625 -18.900 9.453 1.00 0.00 C ATOM 1224 CE2 TYR A 79 -18.134 -17.147 8.849 1.00 0.00 C ATOM 1225 CZ TYR A 79 -17.659 -18.062 9.736 1.00 0.00 C ATOM 1226 OH TYR A 79 -18.243 -18.143 10.961 1.00 0.00 O ATOM 0 H TYR A 79 -14.765 -20.369 5.257 1.00 0.00 H new ATOM 0 HA TYR A 79 -17.308 -18.957 4.747 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -14.723 -17.839 5.976 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -16.048 -16.841 5.410 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -15.182 -19.467 7.906 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -17.873 -16.344 6.828 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -16.277 -19.614 10.185 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -18.957 -16.499 9.112 1.00 0.00 H new ATOM 0 HH TYR A 79 -18.966 -17.484 11.023 1.00 0.00 H new ATOM 1236 N VAL A 80 -14.284 -18.879 3.464 1.00 0.00 N ATOM 1237 CA VAL A 80 -13.544 -18.675 2.230 1.00 0.00 C ATOM 1238 C VAL A 80 -13.657 -19.928 1.361 1.00 0.00 C ATOM 1239 O VAL A 80 -13.349 -21.031 1.810 1.00 0.00 O ATOM 1240 CB VAL A 80 -12.096 -18.293 2.544 1.00 0.00 C ATOM 1241 CG1 VAL A 80 -11.228 -18.353 1.286 1.00 0.00 C ATOM 1242 CG2 VAL A 80 -12.023 -16.911 3.196 1.00 0.00 C ATOM 0 H VAL A 80 -13.720 -19.199 4.251 1.00 0.00 H new ATOM 0 HA VAL A 80 -13.968 -17.846 1.663 1.00 0.00 H new ATOM 0 HB VAL A 80 -11.704 -19.020 3.256 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -10.204 -18.077 1.537 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.242 -19.365 0.882 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -11.618 -17.660 0.541 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.983 -16.664 3.409 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -12.442 -16.167 2.519 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -12.592 -16.917 4.126 1.00 0.00 H new ATOM 1252 N GLN A 81 -14.099 -19.718 0.129 1.00 0.00 N ATOM 1253 CA GLN A 81 -14.256 -20.817 -0.808 1.00 0.00 C ATOM 1254 C GLN A 81 -12.929 -21.109 -1.511 1.00 0.00 C ATOM 1255 O GLN A 81 -12.590 -22.267 -1.748 1.00 0.00 O ATOM 1256 CB GLN A 81 -15.360 -20.519 -1.824 1.00 0.00 C ATOM 1257 CG GLN A 81 -15.799 -21.792 -2.547 1.00 0.00 C ATOM 1258 CD GLN A 81 -15.855 -21.573 -4.060 1.00 0.00 C ATOM 1259 OE1 GLN A 81 -15.439 -20.551 -4.581 1.00 0.00 O ATOM 1260 NE2 GLN A 81 -16.391 -22.585 -4.735 1.00 0.00 N ATOM 0 H GLN A 81 -14.353 -18.802 -0.242 1.00 0.00 H new ATOM 0 HA GLN A 81 -14.552 -21.705 -0.249 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -16.215 -20.072 -1.317 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -15.003 -19.789 -2.550 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -15.106 -22.601 -2.319 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -16.779 -22.101 -2.184 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -16.720 -23.412 -4.238 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -16.473 -22.534 -5.750 1.00 0.00 H new ATOM 1269 N SER A 82 -12.214 -20.038 -1.825 1.00 0.00 N ATOM 1270 CA SER A 82 -10.931 -20.165 -2.495 1.00 0.00 C ATOM 1271 C SER A 82 -10.325 -18.780 -2.732 1.00 0.00 C ATOM 1272 O SER A 82 -10.983 -17.896 -3.279 1.00 0.00 O ATOM 1273 CB SER A 82 -11.075 -20.915 -3.820 1.00 0.00 C ATOM 1274 OG SER A 82 -11.814 -20.166 -4.781 1.00 0.00 O ATOM 0 H SER A 82 -12.499 -19.079 -1.628 1.00 0.00 H new ATOM 0 HA SER A 82 -10.265 -20.741 -1.853 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.086 -21.140 -4.219 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.572 -21.869 -3.644 1.00 0.00 H new ATOM 0 HG SER A 82 -11.837 -19.223 -4.514 1.00 0.00 H new ATOM 1280 N MET A 83 -9.078 -18.634 -2.309 1.00 0.00 N ATOM 1281 CA MET A 83 -8.377 -17.372 -2.469 1.00 0.00 C ATOM 1282 C MET A 83 -7.355 -17.452 -3.605 1.00 0.00 C ATOM 1283 O MET A 83 -6.864 -18.533 -3.928 1.00 0.00 O ATOM 1284 CB MET A 83 -7.662 -17.017 -1.164 1.00 0.00 C ATOM 1285 CG MET A 83 -6.654 -15.887 -1.381 1.00 0.00 C ATOM 1286 SD MET A 83 -5.718 -15.606 0.114 1.00 0.00 S ATOM 1287 CE MET A 83 -4.076 -15.465 -0.570 1.00 0.00 C ATOM 0 H MET A 83 -8.535 -19.369 -1.856 1.00 0.00 H new ATOM 0 HA MET A 83 -9.107 -16.601 -2.716 1.00 0.00 H new ATOM 0 HB2 MET A 83 -8.394 -16.717 -0.414 1.00 0.00 H new ATOM 0 HB3 MET A 83 -7.149 -17.897 -0.775 1.00 0.00 H new ATOM 0 HG2 MET A 83 -5.980 -16.142 -2.199 1.00 0.00 H new ATOM 0 HG3 MET A 83 -7.175 -14.974 -1.670 1.00 0.00 H new ATOM 0 HE1 MET A 83 -3.429 -14.949 0.140 1.00 0.00 H new ATOM 0 HE2 MET A 83 -3.677 -16.460 -0.767 1.00 0.00 H new ATOM 0 HE3 MET A 83 -4.117 -14.900 -1.501 1.00 0.00 H new ATOM 1297 N ASP A 84 -7.066 -16.294 -4.181 1.00 0.00 N ATOM 1298 CA ASP A 84 -6.112 -16.220 -5.274 1.00 0.00 C ATOM 1299 C ASP A 84 -5.368 -14.884 -5.206 1.00 0.00 C ATOM 1300 O ASP A 84 -5.559 -14.111 -4.269 1.00 0.00 O ATOM 1301 CB ASP A 84 -6.820 -16.298 -6.628 1.00 0.00 C ATOM 1302 CG ASP A 84 -7.166 -17.713 -7.096 1.00 0.00 C ATOM 1303 OD1 ASP A 84 -8.254 -18.200 -6.604 1.00 0.00 O ATOM 1304 OD2 ASP A 84 -6.433 -18.320 -7.891 1.00 0.00 O ATOM 0 H ASP A 84 -7.476 -15.400 -3.911 1.00 0.00 H new ATOM 0 HA ASP A 84 -5.423 -17.059 -5.178 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -7.739 -15.714 -6.575 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -6.187 -15.827 -7.380 1.00 0.00 H new ATOM 1309 N VAL A 85 -4.537 -14.656 -6.212 1.00 0.00 N ATOM 1310 CA VAL A 85 -3.763 -13.427 -6.277 1.00 0.00 C ATOM 1311 C VAL A 85 -4.362 -12.509 -7.344 1.00 0.00 C ATOM 1312 O VAL A 85 -4.511 -12.907 -8.499 1.00 0.00 O ATOM 1313 CB VAL A 85 -2.289 -13.751 -6.527 1.00 0.00 C ATOM 1314 CG1 VAL A 85 -1.495 -12.481 -6.845 1.00 0.00 C ATOM 1315 CG2 VAL A 85 -1.680 -14.493 -5.335 1.00 0.00 C ATOM 0 H VAL A 85 -4.382 -15.300 -6.988 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.809 -12.895 -5.327 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.233 -14.408 -7.395 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.450 -12.739 -7.019 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.905 -12.009 -7.738 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.563 -11.789 -6.005 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.632 -14.711 -5.539 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.754 -13.871 -4.443 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.220 -15.426 -5.173 1.00 0.00 H new ATOM 1325 N ALA A 86 -4.691 -11.297 -6.919 1.00 0.00 N ATOM 1326 CA ALA A 86 -5.272 -10.320 -7.824 1.00 0.00 C ATOM 1327 C ALA A 86 -4.150 -9.591 -8.568 1.00 0.00 C ATOM 1328 O ALA A 86 -4.356 -9.090 -9.672 1.00 0.00 O ATOM 1329 CB ALA A 86 -6.166 -9.361 -7.034 1.00 0.00 C ATOM 0 H ALA A 86 -4.566 -10.970 -5.961 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.898 -10.811 -8.569 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.602 -8.628 -7.713 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.963 -9.924 -6.547 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.571 -8.848 -6.279 1.00 0.00 H new ATOM 1335 N ALA A 87 -2.989 -9.555 -7.932 1.00 0.00 N ATOM 1336 CA ALA A 87 -1.834 -8.896 -8.520 1.00 0.00 C ATOM 1337 C ALA A 87 -0.772 -8.679 -7.440 1.00 0.00 C ATOM 1338 O ALA A 87 -1.075 -8.717 -6.248 1.00 0.00 O ATOM 1339 CB ALA A 87 -2.274 -7.586 -9.176 1.00 0.00 C ATOM 0 H ALA A 87 -2.822 -9.971 -7.016 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.391 -9.518 -9.298 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.409 -7.091 -9.617 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.007 -7.797 -9.954 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.720 -6.935 -8.424 1.00 0.00 H new ATOM 1345 N PHE A 88 0.453 -8.457 -7.896 1.00 0.00 N ATOM 1346 CA PHE A 88 1.562 -8.235 -6.984 1.00 0.00 C ATOM 1347 C PHE A 88 2.534 -7.195 -7.547 1.00 0.00 C ATOM 1348 O PHE A 88 3.529 -7.548 -8.177 1.00 0.00 O ATOM 1349 CB PHE A 88 2.293 -9.571 -6.835 1.00 0.00 C ATOM 1350 CG PHE A 88 2.152 -10.206 -5.450 1.00 0.00 C ATOM 1351 CD1 PHE A 88 0.951 -10.699 -5.048 1.00 0.00 C ATOM 1352 CD2 PHE A 88 3.228 -10.276 -4.622 1.00 0.00 C ATOM 1353 CE1 PHE A 88 0.819 -11.289 -3.762 1.00 0.00 C ATOM 1354 CE2 PHE A 88 3.097 -10.866 -3.336 1.00 0.00 C ATOM 1355 CZ PHE A 88 1.896 -11.359 -2.934 1.00 0.00 C ATOM 0 H PHE A 88 0.701 -8.426 -8.885 1.00 0.00 H new ATOM 0 HA PHE A 88 1.190 -7.866 -6.028 1.00 0.00 H new ATOM 0 HB2 PHE A 88 1.913 -10.267 -7.583 1.00 0.00 H new ATOM 0 HB3 PHE A 88 3.351 -9.420 -7.048 1.00 0.00 H new ATOM 0 HD1 PHE A 88 0.097 -10.642 -5.706 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.182 -9.883 -4.942 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -0.135 -11.681 -3.442 1.00 0.00 H new ATOM 0 HE2 PHE A 88 3.952 -10.923 -2.678 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.797 -11.807 -1.956 1.00 0.00 H new ATOM 1365 N ASN A 89 2.211 -5.935 -7.298 1.00 0.00 N ATOM 1366 CA ASN A 89 3.042 -4.842 -7.771 1.00 0.00 C ATOM 1367 C ASN A 89 3.343 -3.895 -6.607 1.00 0.00 C ATOM 1368 O ASN A 89 2.744 -4.008 -5.539 1.00 0.00 O ATOM 1369 CB ASN A 89 2.329 -4.039 -8.861 1.00 0.00 C ATOM 1370 CG ASN A 89 2.172 -4.867 -10.137 1.00 0.00 C ATOM 1371 OD1 ASN A 89 1.106 -5.369 -10.455 1.00 0.00 O ATOM 1372 ND2 ASN A 89 3.290 -4.980 -10.849 1.00 0.00 N ATOM 0 H ASN A 89 1.385 -5.647 -6.774 1.00 0.00 H new ATOM 0 HA ASN A 89 3.959 -5.268 -8.178 1.00 0.00 H new ATOM 0 HB2 ASN A 89 1.348 -3.725 -8.504 1.00 0.00 H new ATOM 0 HB3 ASN A 89 2.894 -3.133 -9.078 1.00 0.00 H new ATOM 0 HD21 ASN A 89 3.289 -5.512 -11.719 1.00 0.00 H new ATOM 0 HD22 ASN A 89 4.148 -4.534 -10.525 1.00 0.00 H new ATOM 1379 N LYS A 90 4.273 -2.982 -6.854 1.00 0.00 N ATOM 1380 CA LYS A 90 4.661 -2.018 -5.840 1.00 0.00 C ATOM 1381 C LYS A 90 3.669 -0.852 -5.845 1.00 0.00 C ATOM 1382 O LYS A 90 3.260 -0.347 -6.888 1.00 0.00 O ATOM 1383 CB LYS A 90 6.115 -1.587 -6.039 1.00 0.00 C ATOM 1384 CG LYS A 90 6.456 -1.475 -7.526 1.00 0.00 C ATOM 1385 CD LYS A 90 7.039 -2.787 -8.055 1.00 0.00 C ATOM 1386 CE LYS A 90 6.813 -2.919 -9.562 1.00 0.00 C ATOM 1387 NZ LYS A 90 7.792 -3.859 -10.153 1.00 0.00 N ATOM 0 H LYS A 90 4.768 -2.891 -7.741 1.00 0.00 H new ATOM 0 HA LYS A 90 4.619 -2.470 -4.849 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.283 -0.627 -5.551 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.780 -2.308 -5.563 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.559 -1.218 -8.090 1.00 0.00 H new ATOM 0 HG3 LYS A 90 7.172 -0.667 -7.679 1.00 0.00 H new ATOM 0 HD2 LYS A 90 8.107 -2.828 -7.839 1.00 0.00 H new ATOM 0 HD3 LYS A 90 6.577 -3.629 -7.539 1.00 0.00 H new ATOM 0 HE2 LYS A 90 5.800 -3.272 -9.754 1.00 0.00 H new ATOM 0 HE3 LYS A 90 6.906 -1.942 -10.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.624 -3.937 -11.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 8.756 -3.507 -9.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 7.684 -4.795 -9.712 1.00 0.00 H new ATOM 1401 N ILE A 91 3.286 -0.432 -4.636 1.00 0.00 N ATOM 1402 CA ILE A 91 2.352 0.663 -4.466 1.00 0.00 C ATOM 1403 C ILE A 91 3.107 1.984 -4.437 1.00 0.00 C ATOM 1404 O ILE A 91 2.633 2.984 -4.970 1.00 0.00 O ATOM 1405 CB ILE A 91 1.562 0.461 -3.177 1.00 0.00 C ATOM 1406 CG1 ILE A 91 0.553 1.595 -3.013 1.00 0.00 C ATOM 1407 CG2 ILE A 91 2.521 0.459 -1.989 1.00 0.00 C ATOM 1408 CD1 ILE A 91 -0.859 1.018 -2.971 1.00 0.00 C ATOM 1409 OXT ILE A 91 4.200 2.064 -3.876 1.00 0.00 O ATOM 0 H ILE A 91 3.615 -0.842 -3.762 1.00 0.00 H new ATOM 0 HA ILE A 91 1.654 0.685 -5.303 1.00 0.00 H new ATOM 0 HB ILE A 91 1.033 -0.491 -3.221 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.758 2.149 -2.097 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.645 2.300 -3.839 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.958 0.315 -1.067 1.00 0.00 H new ATOM 0 HG22 ILE A 91 3.242 -0.351 -2.104 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.049 1.411 -1.946 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.580 1.827 -2.854 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.061 0.484 -3.899 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -0.946 0.330 -2.130 1.00 0.00 H new