USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 709 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 78 ASN :FLIP amide:sc= -4.66! C(o=-10!,f=-6.6!) USER MOD Set 1.2: A 97 GLN :FLIP amide:sc= -1.97! F(o=-8,f=-6.6!) USER MOD Set 2.1: A 40 LYS NZ :NH3+ 173:sc= 0.301 (180deg=0.273) USER MOD Set 2.2: A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 HIS :FLIP no HE2:sc= -0.302 F(o=-1.1,f=-0.3) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0462 USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.028 X(o=-0.028,f=-0.0073) USER MOD Single : A 65 THR OG1 : rot -87:sc= 0.671 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 158:sc= -0.326 (180deg=-1.56!) USER MOD Single : A 73 GLN : amide:sc= -2.48! C(o=-2.5!,f=-4!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot -127:sc= 0.28 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.0402 K(o=-0.04,f=-1.2!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.0622 X(o=-0.062,f=-0.052) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 104 CYS SG : rot 180:sc= -0.997 USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 MET CE :methyl -153:sc= -0.746 (180deg=-0.873) USER MOD ----------------------------------------------------------------- ATOM 83 N TYR A 9 -8.774 -13.906 4.579 1.00 0.00 N ATOM 84 CA TYR A 9 -8.670 -14.525 3.269 1.00 0.00 C ATOM 85 C TYR A 9 -8.159 -15.962 3.381 1.00 0.00 C ATOM 86 O TYR A 9 -7.686 -16.376 4.439 1.00 0.00 O ATOM 87 CB TYR A 9 -7.650 -13.693 2.488 1.00 0.00 C ATOM 88 CG TYR A 9 -8.224 -12.408 1.888 1.00 0.00 C ATOM 89 CD1 TYR A 9 -9.367 -12.457 1.119 1.00 0.00 C ATOM 90 CD2 TYR A 9 -7.597 -11.200 2.117 1.00 0.00 C ATOM 91 CE1 TYR A 9 -9.908 -11.248 0.553 1.00 0.00 C ATOM 92 CE2 TYR A 9 -8.136 -9.990 1.552 1.00 0.00 C ATOM 93 CZ TYR A 9 -9.265 -10.074 0.798 1.00 0.00 C ATOM 94 OH TYR A 9 -9.775 -8.932 0.264 1.00 0.00 O ATOM 0 HA TYR A 9 -9.644 -14.557 2.781 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.824 -13.435 3.150 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -7.237 -14.304 1.685 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -9.857 -13.403 0.941 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.702 -11.162 2.720 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -10.803 -11.273 -0.051 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.655 -9.038 1.723 1.00 0.00 H new ATOM 0 HH TYR A 9 -9.214 -8.171 0.522 1.00 0.00 H new ATOM 104 N ILE A 10 -8.272 -16.686 2.276 1.00 0.00 N ATOM 105 CA ILE A 10 -7.827 -18.068 2.238 1.00 0.00 C ATOM 106 C ILE A 10 -6.299 -18.110 2.303 1.00 0.00 C ATOM 107 O ILE A 10 -5.719 -19.101 2.744 1.00 0.00 O ATOM 108 CB ILE A 10 -8.410 -18.784 1.018 1.00 0.00 C ATOM 109 CG1 ILE A 10 -7.879 -18.176 -0.281 1.00 0.00 C ATOM 110 CG2 ILE A 10 -9.940 -18.791 1.065 1.00 0.00 C ATOM 111 CD1 ILE A 10 -6.720 -19.004 -0.841 1.00 0.00 C ATOM 0 H ILE A 10 -8.665 -16.341 1.401 1.00 0.00 H new ATOM 0 HA ILE A 10 -8.198 -18.612 3.107 1.00 0.00 H new ATOM 0 HB ILE A 10 -8.083 -19.823 1.044 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -8.682 -18.123 -1.017 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -7.546 -17.154 -0.099 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -10.329 -19.306 0.186 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -10.274 -19.307 1.965 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -10.308 -17.765 1.077 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.361 -18.550 -1.765 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.909 -19.034 -0.113 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -7.063 -20.018 -1.045 1.00 0.00 H new ATOM 123 N PHE A 11 -5.690 -17.021 1.858 1.00 0.00 N ATOM 124 CA PHE A 11 -4.240 -16.921 1.860 1.00 0.00 C ATOM 125 C PHE A 11 -3.744 -16.177 3.101 1.00 0.00 C ATOM 126 O PHE A 11 -4.511 -15.471 3.756 1.00 0.00 O ATOM 127 CB PHE A 11 -3.844 -16.127 0.613 1.00 0.00 C ATOM 128 CG PHE A 11 -4.609 -14.813 0.444 1.00 0.00 C ATOM 129 CD1 PHE A 11 -4.154 -13.679 1.040 1.00 0.00 C ATOM 130 CD2 PHE A 11 -5.745 -14.779 -0.304 1.00 0.00 C ATOM 131 CE1 PHE A 11 -4.864 -12.459 0.882 1.00 0.00 C ATOM 132 CE2 PHE A 11 -6.455 -13.559 -0.462 1.00 0.00 C ATOM 133 CZ PHE A 11 -6.000 -12.425 0.135 1.00 0.00 C ATOM 0 H PHE A 11 -6.174 -16.200 1.494 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.799 -17.918 1.865 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -2.776 -15.911 0.656 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -4.009 -16.747 -0.268 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.252 -13.706 1.634 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -6.107 -15.680 -0.778 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -4.502 -11.558 1.355 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -7.356 -13.532 -1.056 1.00 0.00 H new ATOM 0 HZ PHE A 11 -6.541 -11.498 0.016 1.00 0.00 H new ATOM 143 N PRO A 12 -2.430 -16.365 3.398 1.00 0.00 N ATOM 144 CA PRO A 12 -1.823 -15.721 4.549 1.00 0.00 C ATOM 145 C PRO A 12 -1.585 -14.234 4.284 1.00 0.00 C ATOM 146 O PRO A 12 -0.939 -13.871 3.301 1.00 0.00 O ATOM 147 CB PRO A 12 -0.537 -16.493 4.799 1.00 0.00 C ATOM 148 CG PRO A 12 -0.240 -17.238 3.508 1.00 0.00 C ATOM 149 CD PRO A 12 -1.491 -17.194 2.647 1.00 0.00 C ATOM 0 HA PRO A 12 -2.464 -15.744 5.430 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.279 -15.819 5.057 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.653 -17.186 5.632 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.599 -16.778 2.986 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.042 -18.269 3.719 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.282 -16.766 1.667 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.892 -18.194 2.480 1.00 0.00 H new ATOM 157 N HIS A 13 -2.117 -13.413 5.177 1.00 0.00 N ATOM 158 CA HIS A 13 -1.971 -11.973 5.050 1.00 0.00 C ATOM 159 C HIS A 13 -1.899 -11.340 6.442 1.00 0.00 C ATOM 160 O HIS A 13 -2.155 -12.006 7.444 1.00 0.00 O ATOM 161 CB HIS A 13 -3.091 -11.387 4.189 1.00 0.00 C ATOM 162 CG HIS A 13 -4.232 -10.797 4.983 1.00 0.00 C ATOM 163 ND1 HIS A 13 -5.102 -11.377 5.858 1.00 0.00 N flip ATOM 164 CD2 HIS A 13 -4.578 -9.458 4.918 1.00 0.00 C flip ATOM 165 CE1 HIS A 13 -5.933 -10.445 6.305 1.00 0.00 C flip ATOM 166 NE2 HIS A 13 -5.610 -9.254 5.723 1.00 0.00 N flip ATOM 0 H HIS A 13 -2.650 -13.717 5.992 1.00 0.00 H new ATOM 0 HA HIS A 13 -1.038 -11.742 4.535 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -2.673 -10.614 3.544 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -3.481 -12.169 3.538 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -5.112 -12.362 6.124 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -4.090 -8.708 4.314 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -6.733 -10.603 7.013 1.00 0.00 H new ATOM 174 N ALA A 14 -1.552 -10.062 6.459 1.00 0.00 N ATOM 175 CA ALA A 14 -1.444 -9.332 7.710 1.00 0.00 C ATOM 176 C ALA A 14 -1.933 -7.897 7.502 1.00 0.00 C ATOM 177 O ALA A 14 -1.840 -7.360 6.400 1.00 0.00 O ATOM 178 CB ALA A 14 0.000 -9.390 8.212 1.00 0.00 C ATOM 0 H ALA A 14 -1.342 -9.513 5.626 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.073 -9.786 8.475 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.081 -8.842 9.151 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.288 -10.429 8.372 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.661 -8.940 7.471 1.00 0.00 H new ATOM 184 N ARG A 15 -2.442 -7.317 8.580 1.00 0.00 N ATOM 185 CA ARG A 15 -2.944 -5.956 8.529 1.00 0.00 C ATOM 186 C ARG A 15 -2.219 -5.084 9.556 1.00 0.00 C ATOM 187 O ARG A 15 -2.653 -4.977 10.702 1.00 0.00 O ATOM 188 CB ARG A 15 -4.450 -5.913 8.806 1.00 0.00 C ATOM 189 CG ARG A 15 -5.244 -6.383 7.586 1.00 0.00 C ATOM 190 CD ARG A 15 -6.744 -6.419 7.891 1.00 0.00 C ATOM 191 NE ARG A 15 -7.012 -7.359 9.002 1.00 0.00 N ATOM 192 CZ ARG A 15 -6.966 -7.023 10.298 1.00 0.00 C ATOM 193 NH1 ARG A 15 -6.661 -5.767 10.654 1.00 0.00 N ATOM 194 NH2 ARG A 15 -7.224 -7.942 11.239 1.00 0.00 N ATOM 0 H ARG A 15 -2.517 -7.766 9.493 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.759 -5.572 7.526 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.684 -6.545 9.663 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.747 -4.897 9.069 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -5.056 -5.715 6.745 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.906 -7.375 7.287 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -7.094 -5.421 8.156 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -7.297 -6.725 7.003 1.00 0.00 H new ATOM 0 HE ARG A 15 -7.246 -8.323 8.766 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -6.464 -5.068 9.938 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -6.626 -5.511 11.641 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -7.456 -8.898 10.968 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -7.189 -7.686 12.226 1.00 0.00 H new ATOM 208 N ILE A 16 -1.127 -4.483 9.108 1.00 0.00 N ATOM 209 CA ILE A 16 -0.337 -3.623 9.974 1.00 0.00 C ATOM 210 C ILE A 16 -0.738 -2.166 9.741 1.00 0.00 C ATOM 211 O ILE A 16 -1.248 -1.820 8.677 1.00 0.00 O ATOM 212 CB ILE A 16 1.156 -3.889 9.776 1.00 0.00 C ATOM 213 CG1 ILE A 16 1.593 -5.151 10.523 1.00 0.00 C ATOM 214 CG2 ILE A 16 1.988 -2.669 10.175 1.00 0.00 C ATOM 215 CD1 ILE A 16 1.641 -6.357 9.584 1.00 0.00 C ATOM 0 H ILE A 16 -0.770 -4.574 8.157 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.541 -3.847 11.021 1.00 0.00 H new ATOM 0 HB ILE A 16 1.333 -4.066 8.715 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.576 -4.993 10.967 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.902 -5.351 11.342 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.046 -2.885 10.025 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.701 -1.816 9.560 1.00 0.00 H new ATOM 0 HG23 ILE A 16 1.811 -2.436 11.225 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.954 -7.240 10.141 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.651 -6.528 9.160 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.351 -6.164 8.780 1.00 0.00 H new ATOM 227 N LYS A 17 -0.493 -1.348 10.755 1.00 0.00 N ATOM 228 CA LYS A 17 -0.821 0.065 10.675 1.00 0.00 C ATOM 229 C LYS A 17 0.465 0.888 10.752 1.00 0.00 C ATOM 230 O LYS A 17 1.294 0.671 11.635 1.00 0.00 O ATOM 231 CB LYS A 17 -1.854 0.436 11.740 1.00 0.00 C ATOM 232 CG LYS A 17 -1.281 1.454 12.729 1.00 0.00 C ATOM 233 CD LYS A 17 -0.339 0.778 13.726 1.00 0.00 C ATOM 234 CE LYS A 17 -0.896 0.858 15.148 1.00 0.00 C ATOM 235 NZ LYS A 17 -1.008 -0.495 15.739 1.00 0.00 N ATOM 0 H LYS A 17 -0.071 -1.638 11.637 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.289 0.294 9.717 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.742 0.849 11.262 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.167 -0.460 12.276 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.744 2.232 12.186 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.094 1.943 13.265 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.196 -0.266 13.446 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.640 1.256 13.688 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -0.246 1.478 15.765 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.875 1.338 15.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.388 -0.422 16.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -1.647 -1.075 15.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.068 -0.939 15.770 1.00 0.00 H new ATOM 249 N ILE A 18 0.593 1.818 9.816 1.00 0.00 N ATOM 250 CA ILE A 18 1.764 2.676 9.767 1.00 0.00 C ATOM 251 C ILE A 18 1.497 3.944 10.580 1.00 0.00 C ATOM 252 O ILE A 18 0.557 4.684 10.292 1.00 0.00 O ATOM 253 CB ILE A 18 2.169 2.948 8.317 1.00 0.00 C ATOM 254 CG1 ILE A 18 2.247 1.648 7.515 1.00 0.00 C ATOM 255 CG2 ILE A 18 3.476 3.741 8.252 1.00 0.00 C ATOM 256 CD1 ILE A 18 1.647 1.827 6.119 1.00 0.00 C ATOM 0 H ILE A 18 -0.096 1.996 9.085 1.00 0.00 H new ATOM 0 HA ILE A 18 2.620 2.179 10.224 1.00 0.00 H new ATOM 0 HB ILE A 18 1.396 3.563 7.857 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.286 1.331 7.430 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.715 0.858 8.045 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.741 3.921 7.210 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.349 4.695 8.764 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.271 3.173 8.736 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.715 0.888 5.570 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.601 2.120 6.207 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.197 2.601 5.583 1.00 0.00 H new ATOM 268 N THR A 19 2.340 4.158 11.579 1.00 0.00 N ATOM 269 CA THR A 19 2.207 5.324 12.436 1.00 0.00 C ATOM 270 C THR A 19 3.348 6.309 12.176 1.00 0.00 C ATOM 271 O THR A 19 4.518 5.936 12.225 1.00 0.00 O ATOM 272 CB THR A 19 2.139 4.841 13.886 1.00 0.00 C ATOM 273 OG1 THR A 19 2.585 3.488 13.822 1.00 0.00 O ATOM 274 CG2 THR A 19 0.702 4.735 14.401 1.00 0.00 C ATOM 0 H THR A 19 3.119 3.543 11.815 1.00 0.00 H new ATOM 0 HA THR A 19 1.290 5.872 12.219 1.00 0.00 H new ATOM 0 HB THR A 19 2.704 5.522 14.523 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.574 3.097 14.721 1.00 0.00 H new ATOM 0 HG21 THR A 19 0.710 4.388 15.434 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.224 5.713 14.351 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.146 4.028 13.785 1.00 0.00 H new ATOM 449 N LEU A 32 4.316 9.280 5.470 1.00 0.00 N ATOM 450 CA LEU A 32 4.773 8.065 6.121 1.00 0.00 C ATOM 451 C LEU A 32 6.133 7.664 5.549 1.00 0.00 C ATOM 452 O LEU A 32 7.084 7.441 6.296 1.00 0.00 O ATOM 453 CB LEU A 32 3.712 6.968 6.013 1.00 0.00 C ATOM 454 CG LEU A 32 2.409 7.215 6.777 1.00 0.00 C ATOM 455 CD1 LEU A 32 1.373 6.137 6.456 1.00 0.00 C ATOM 456 CD2 LEU A 32 2.669 7.333 8.279 1.00 0.00 C ATOM 0 HA LEU A 32 4.915 8.235 7.188 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.471 6.826 4.960 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.147 6.034 6.369 1.00 0.00 H new ATOM 0 HG LEU A 32 1.994 8.167 6.447 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.457 6.336 7.012 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.158 6.145 5.387 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.765 5.160 6.740 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.727 7.508 8.799 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.118 6.410 8.644 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.347 8.165 8.467 1.00 0.00 H new ATOM 468 N GLY A 33 6.182 7.584 4.227 1.00 0.00 N ATOM 469 CA GLY A 33 7.412 7.213 3.545 1.00 0.00 C ATOM 470 C GLY A 33 7.327 5.786 2.999 1.00 0.00 C ATOM 471 O GLY A 33 7.902 4.863 3.574 1.00 0.00 O ATOM 0 H GLY A 33 5.391 7.769 3.610 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.603 7.908 2.727 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.253 7.293 4.234 1.00 0.00 H new ATOM 475 N ILE A 34 6.606 5.651 1.896 1.00 0.00 N ATOM 476 CA ILE A 34 6.438 4.352 1.266 1.00 0.00 C ATOM 477 C ILE A 34 6.237 4.542 -0.239 1.00 0.00 C ATOM 478 O ILE A 34 5.513 5.440 -0.664 1.00 0.00 O ATOM 479 CB ILE A 34 5.310 3.570 1.942 1.00 0.00 C ATOM 480 CG1 ILE A 34 5.261 2.128 1.433 1.00 0.00 C ATOM 481 CG2 ILE A 34 3.968 4.285 1.772 1.00 0.00 C ATOM 482 CD1 ILE A 34 4.899 1.160 2.561 1.00 0.00 C ATOM 0 H ILE A 34 6.131 6.419 1.422 1.00 0.00 H new ATOM 0 HA ILE A 34 7.336 3.748 1.395 1.00 0.00 H new ATOM 0 HB ILE A 34 5.517 3.527 3.011 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.528 2.047 0.630 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.228 1.855 1.011 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.184 3.708 2.262 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.024 5.276 2.222 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.739 4.381 0.711 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.871 0.142 2.172 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.647 1.226 3.351 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.921 1.421 2.965 1.00 0.00 H new ATOM 494 N ARG A 35 6.894 3.682 -1.004 1.00 0.00 N ATOM 495 CA ARG A 35 6.797 3.744 -2.452 1.00 0.00 C ATOM 496 C ARG A 35 6.089 2.499 -2.990 1.00 0.00 C ATOM 497 O ARG A 35 6.642 1.401 -2.953 1.00 0.00 O ATOM 498 CB ARG A 35 8.183 3.852 -3.093 1.00 0.00 C ATOM 499 CG ARG A 35 8.860 5.171 -2.716 1.00 0.00 C ATOM 500 CD ARG A 35 9.335 5.918 -3.964 1.00 0.00 C ATOM 501 NE ARG A 35 9.076 7.368 -3.815 1.00 0.00 N ATOM 502 CZ ARG A 35 7.859 7.924 -3.885 1.00 0.00 C ATOM 503 NH1 ARG A 35 6.783 7.156 -4.100 1.00 0.00 N ATOM 504 NH2 ARG A 35 7.718 9.248 -3.738 1.00 0.00 N ATOM 0 H ARG A 35 7.495 2.939 -0.648 1.00 0.00 H new ATOM 0 HA ARG A 35 6.221 4.633 -2.708 1.00 0.00 H new ATOM 0 HB2 ARG A 35 8.803 3.016 -2.770 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.093 3.782 -4.177 1.00 0.00 H new ATOM 0 HG2 ARG A 35 8.163 5.795 -2.157 1.00 0.00 H new ATOM 0 HG3 ARG A 35 9.708 4.974 -2.060 1.00 0.00 H new ATOM 0 HD2 ARG A 35 10.400 5.744 -4.119 1.00 0.00 H new ATOM 0 HD3 ARG A 35 8.819 5.537 -4.845 1.00 0.00 H new ATOM 0 HE ARG A 35 9.874 7.982 -3.649 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.890 6.148 -4.210 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.857 7.579 -4.153 1.00 0.00 H new ATOM 0 HH21 ARG A 35 8.537 9.833 -3.573 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.791 9.671 -3.791 1.00 0.00 H new ATOM 518 N ILE A 36 4.876 2.712 -3.479 1.00 0.00 N ATOM 519 CA ILE A 36 4.086 1.620 -4.024 1.00 0.00 C ATOM 520 C ILE A 36 3.807 1.890 -5.504 1.00 0.00 C ATOM 521 O ILE A 36 3.366 2.979 -5.868 1.00 0.00 O ATOM 522 CB ILE A 36 2.823 1.403 -3.189 1.00 0.00 C ATOM 523 CG1 ILE A 36 3.176 1.077 -1.736 1.00 0.00 C ATOM 524 CG2 ILE A 36 1.929 0.332 -3.816 1.00 0.00 C ATOM 525 CD1 ILE A 36 1.914 0.938 -0.883 1.00 0.00 C ATOM 0 H ILE A 36 4.421 3.624 -3.509 1.00 0.00 H new ATOM 0 HA ILE A 36 4.640 0.683 -3.969 1.00 0.00 H new ATOM 0 HB ILE A 36 2.254 2.333 -3.181 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.750 0.151 -1.696 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.811 1.863 -1.327 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.038 0.197 -3.203 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.636 0.644 -4.818 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.475 -0.609 -3.874 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.193 0.706 0.145 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.355 1.874 -0.905 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.293 0.135 -1.280 1.00 0.00 H new ATOM 537 N VAL A 37 4.074 0.879 -6.317 1.00 0.00 N ATOM 538 CA VAL A 37 3.856 0.992 -7.750 1.00 0.00 C ATOM 539 C VAL A 37 2.652 0.136 -8.147 1.00 0.00 C ATOM 540 O VAL A 37 2.556 -1.027 -7.758 1.00 0.00 O ATOM 541 CB VAL A 37 5.132 0.616 -8.505 1.00 0.00 C ATOM 542 CG1 VAL A 37 4.829 0.302 -9.972 1.00 0.00 C ATOM 543 CG2 VAL A 37 6.185 1.719 -8.386 1.00 0.00 C ATOM 0 H VAL A 37 4.439 -0.023 -6.011 1.00 0.00 H new ATOM 0 HA VAL A 37 3.626 2.022 -8.021 1.00 0.00 H new ATOM 0 HB VAL A 37 5.539 -0.286 -8.047 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.753 0.038 -10.486 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.131 -0.533 -10.029 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.387 1.177 -10.448 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.082 1.426 -8.932 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.791 2.645 -8.805 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.433 1.873 -7.336 1.00 0.00 H new ATOM 553 N GLY A 38 1.762 0.746 -8.917 1.00 0.00 N ATOM 554 CA GLY A 38 0.567 0.054 -9.371 1.00 0.00 C ATOM 555 C GLY A 38 0.699 -0.360 -10.839 1.00 0.00 C ATOM 556 O GLY A 38 1.773 -0.247 -11.426 1.00 0.00 O ATOM 0 H GLY A 38 1.844 1.711 -9.238 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.397 -0.828 -8.754 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.301 0.701 -9.248 1.00 0.00 H new ATOM 560 N GLY A 39 -0.411 -0.833 -11.388 1.00 0.00 N ATOM 561 CA GLY A 39 -0.433 -1.265 -12.776 1.00 0.00 C ATOM 562 C GLY A 39 0.681 -2.276 -13.053 1.00 0.00 C ATOM 563 O GLY A 39 1.269 -2.276 -14.134 1.00 0.00 O ATOM 0 H GLY A 39 -1.300 -0.926 -10.898 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.400 -1.712 -13.006 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.317 -0.402 -13.431 1.00 0.00 H new ATOM 567 N LYS A 40 0.938 -3.113 -12.058 1.00 0.00 N ATOM 568 CA LYS A 40 1.971 -4.127 -12.182 1.00 0.00 C ATOM 569 C LYS A 40 1.324 -5.513 -12.163 1.00 0.00 C ATOM 570 O LYS A 40 0.416 -5.768 -11.372 1.00 0.00 O ATOM 571 CB LYS A 40 3.044 -3.934 -11.108 1.00 0.00 C ATOM 572 CG LYS A 40 4.442 -4.179 -11.678 1.00 0.00 C ATOM 573 CD LYS A 40 5.100 -5.390 -11.015 1.00 0.00 C ATOM 574 CE LYS A 40 6.579 -5.487 -11.394 1.00 0.00 C ATOM 575 NZ LYS A 40 7.347 -6.153 -10.319 1.00 0.00 N ATOM 0 H LYS A 40 0.449 -3.109 -11.163 1.00 0.00 H new ATOM 0 HA LYS A 40 2.488 -4.029 -13.137 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.984 -2.922 -10.706 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.861 -4.618 -10.279 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.377 -4.340 -12.754 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.061 -3.295 -11.525 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.003 -5.314 -9.932 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.583 -6.300 -11.318 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.686 -6.044 -12.324 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.981 -4.490 -11.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.323 -6.317 -10.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.358 -5.547 -9.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.901 -7.063 -10.087 1.00 0.00 H new ATOM 589 N GLU A 41 1.817 -6.374 -13.041 1.00 0.00 N ATOM 590 CA GLU A 41 1.298 -7.727 -13.135 1.00 0.00 C ATOM 591 C GLU A 41 1.574 -8.492 -11.838 1.00 0.00 C ATOM 592 O GLU A 41 2.628 -8.327 -11.228 1.00 0.00 O ATOM 593 CB GLU A 41 1.891 -8.461 -14.340 1.00 0.00 C ATOM 594 CG GLU A 41 0.797 -9.155 -15.152 1.00 0.00 C ATOM 595 CD GLU A 41 1.084 -9.062 -16.652 1.00 0.00 C ATOM 596 OE1 GLU A 41 1.305 -7.923 -17.118 1.00 0.00 O ATOM 597 OE2 GLU A 41 1.077 -10.132 -17.299 1.00 0.00 O ATOM 0 H GLU A 41 2.571 -6.160 -13.694 1.00 0.00 H new ATOM 0 HA GLU A 41 0.219 -7.672 -13.280 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.426 -7.754 -14.974 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.619 -9.198 -14.000 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.728 -10.202 -14.856 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.168 -8.698 -14.934 1.00 0.00 H new ATOM 604 N ILE A 42 0.607 -9.313 -11.456 1.00 0.00 N ATOM 605 CA ILE A 42 0.731 -10.104 -10.243 1.00 0.00 C ATOM 606 C ILE A 42 1.126 -11.535 -10.612 1.00 0.00 C ATOM 607 O ILE A 42 0.626 -12.089 -11.589 1.00 0.00 O ATOM 608 CB ILE A 42 -0.548 -10.013 -9.411 1.00 0.00 C ATOM 609 CG1 ILE A 42 -0.979 -8.557 -9.221 1.00 0.00 C ATOM 610 CG2 ILE A 42 -0.386 -10.741 -8.074 1.00 0.00 C ATOM 611 CD1 ILE A 42 -2.446 -8.469 -8.796 1.00 0.00 C ATOM 0 H ILE A 42 -0.266 -9.448 -11.965 1.00 0.00 H new ATOM 0 HA ILE A 42 1.524 -9.708 -9.608 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.346 -10.516 -9.958 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.350 -8.083 -8.468 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.833 -8.007 -10.150 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.310 -10.661 -7.502 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.162 -11.792 -8.257 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.430 -10.289 -7.510 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.726 -7.423 -8.668 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.075 -8.922 -9.563 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.584 -8.999 -7.854 1.00 0.00 H new ATOM 623 N PRO A 43 2.043 -12.109 -9.788 1.00 0.00 N ATOM 624 CA PRO A 43 2.510 -13.466 -10.016 1.00 0.00 C ATOM 625 C PRO A 43 1.449 -14.488 -9.605 1.00 0.00 C ATOM 626 O PRO A 43 1.160 -15.423 -10.349 1.00 0.00 O ATOM 627 CB PRO A 43 3.793 -13.582 -9.210 1.00 0.00 C ATOM 628 CG PRO A 43 3.750 -12.451 -8.195 1.00 0.00 C ATOM 629 CD PRO A 43 2.658 -11.483 -8.620 1.00 0.00 C ATOM 0 HA PRO A 43 2.698 -13.675 -11.069 1.00 0.00 H new ATOM 0 HB2 PRO A 43 3.856 -14.550 -8.714 1.00 0.00 H new ATOM 0 HB3 PRO A 43 4.668 -13.496 -9.854 1.00 0.00 H new ATOM 0 HG2 PRO A 43 3.547 -12.841 -7.198 1.00 0.00 H new ATOM 0 HG3 PRO A 43 4.713 -11.943 -8.149 1.00 0.00 H new ATOM 0 HD2 PRO A 43 1.930 -11.332 -7.823 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.070 -10.504 -8.866 1.00 0.00 H new ATOM 637 N GLY A 44 0.899 -14.276 -8.419 1.00 0.00 N ATOM 638 CA GLY A 44 -0.124 -15.167 -7.898 1.00 0.00 C ATOM 639 C GLY A 44 -1.369 -15.152 -8.787 1.00 0.00 C ATOM 640 O GLY A 44 -1.709 -16.163 -9.400 1.00 0.00 O ATOM 0 H GLY A 44 1.142 -13.500 -7.803 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.270 -16.181 -7.835 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.392 -14.866 -6.885 1.00 0.00 H new ATOM 644 N HIS A 45 -2.013 -13.996 -8.830 1.00 0.00 N ATOM 645 CA HIS A 45 -3.213 -13.837 -9.634 1.00 0.00 C ATOM 646 C HIS A 45 -2.911 -14.214 -11.086 1.00 0.00 C ATOM 647 O HIS A 45 -1.751 -14.385 -11.458 1.00 0.00 O ATOM 648 CB HIS A 45 -3.777 -12.421 -9.495 1.00 0.00 C ATOM 649 CG HIS A 45 -4.901 -12.304 -8.493 1.00 0.00 C ATOM 650 ND1 HIS A 45 -6.189 -11.948 -8.850 1.00 0.00 N ATOM 651 CD2 HIS A 45 -4.915 -12.498 -7.143 1.00 0.00 C ATOM 652 CE1 HIS A 45 -6.937 -11.932 -7.756 1.00 0.00 C ATOM 653 NE2 HIS A 45 -6.146 -12.273 -6.700 1.00 0.00 N ATOM 0 H HIS A 45 -1.727 -13.160 -8.321 1.00 0.00 H new ATOM 0 HA HIS A 45 -3.989 -14.512 -9.273 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -2.972 -11.747 -9.203 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -4.135 -12.086 -10.468 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -4.068 -12.786 -6.537 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.989 -11.691 -7.710 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -6.450 -12.344 -5.729 1.00 0.00 H new ATOM 661 N SER A 46 -3.976 -14.334 -11.866 1.00 0.00 N ATOM 662 CA SER A 46 -3.839 -14.689 -13.268 1.00 0.00 C ATOM 663 C SER A 46 -4.176 -13.483 -14.148 1.00 0.00 C ATOM 664 O SER A 46 -5.280 -12.946 -14.077 1.00 0.00 O ATOM 665 CB SER A 46 -4.738 -15.874 -13.627 1.00 0.00 C ATOM 666 OG SER A 46 -4.386 -17.049 -12.901 1.00 0.00 O ATOM 0 H SER A 46 -4.936 -14.192 -11.554 1.00 0.00 H new ATOM 0 HA SER A 46 -2.805 -14.985 -13.446 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.777 -15.617 -13.420 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.666 -16.073 -14.696 1.00 0.00 H new ATOM 0 HG SER A 46 -4.983 -17.783 -13.156 1.00 0.00 H new ATOM 672 N GLY A 47 -3.202 -13.091 -14.957 1.00 0.00 N ATOM 673 CA GLY A 47 -3.381 -11.959 -15.850 1.00 0.00 C ATOM 674 C GLY A 47 -4.160 -10.836 -15.161 1.00 0.00 C ATOM 675 O GLY A 47 -5.281 -10.520 -15.558 1.00 0.00 O ATOM 0 H GLY A 47 -2.287 -13.537 -15.012 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.408 -11.587 -16.172 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.913 -12.279 -16.746 1.00 0.00 H new ATOM 679 N GLU A 48 -3.535 -10.264 -14.142 1.00 0.00 N ATOM 680 CA GLU A 48 -4.157 -9.184 -13.394 1.00 0.00 C ATOM 681 C GLU A 48 -3.091 -8.214 -12.880 1.00 0.00 C ATOM 682 O GLU A 48 -2.027 -8.637 -12.432 1.00 0.00 O ATOM 683 CB GLU A 48 -5.004 -9.729 -12.244 1.00 0.00 C ATOM 684 CG GLU A 48 -6.064 -8.713 -11.812 1.00 0.00 C ATOM 685 CD GLU A 48 -7.472 -9.225 -12.121 1.00 0.00 C ATOM 686 OE1 GLU A 48 -7.623 -9.862 -13.186 1.00 0.00 O ATOM 687 OE2 GLU A 48 -8.365 -8.967 -11.286 1.00 0.00 O ATOM 0 H GLU A 48 -2.605 -10.528 -13.817 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.823 -8.640 -14.064 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.488 -10.656 -12.552 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.361 -9.971 -11.398 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.971 -8.517 -10.744 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.896 -7.766 -12.326 1.00 0.00 H new ATOM 694 N ILE A 49 -3.416 -6.932 -12.960 1.00 0.00 N ATOM 695 CA ILE A 49 -2.500 -5.899 -12.507 1.00 0.00 C ATOM 696 C ILE A 49 -2.900 -5.450 -11.100 1.00 0.00 C ATOM 697 O ILE A 49 -4.074 -5.505 -10.737 1.00 0.00 O ATOM 698 CB ILE A 49 -2.437 -4.756 -13.522 1.00 0.00 C ATOM 699 CG1 ILE A 49 -3.840 -4.353 -13.981 1.00 0.00 C ATOM 700 CG2 ILE A 49 -1.531 -5.119 -14.701 1.00 0.00 C ATOM 701 CD1 ILE A 49 -3.861 -2.902 -14.469 1.00 0.00 C ATOM 0 H ILE A 49 -4.300 -6.585 -13.332 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.486 -6.292 -12.441 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.996 -3.888 -13.032 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.169 -5.015 -14.782 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.545 -4.474 -13.158 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.504 -4.290 -15.408 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.523 -5.319 -14.337 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.920 -6.007 -15.199 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -4.869 -2.641 -14.790 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.555 -2.241 -13.658 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.173 -2.790 -15.307 1.00 0.00 H new ATOM 713 N GLY A 50 -1.901 -5.015 -10.346 1.00 0.00 N ATOM 714 CA GLY A 50 -2.133 -4.557 -8.987 1.00 0.00 C ATOM 715 C GLY A 50 -1.024 -3.605 -8.532 1.00 0.00 C ATOM 716 O GLY A 50 -0.372 -2.967 -9.357 1.00 0.00 O ATOM 0 H GLY A 50 -0.929 -4.970 -10.651 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.097 -4.052 -8.929 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.181 -5.413 -8.314 1.00 0.00 H new ATOM 720 N ALA A 51 -0.846 -3.538 -7.221 1.00 0.00 N ATOM 721 CA ALA A 51 0.171 -2.675 -6.647 1.00 0.00 C ATOM 722 C ALA A 51 1.038 -3.488 -5.682 1.00 0.00 C ATOM 723 O ALA A 51 0.599 -4.511 -5.159 1.00 0.00 O ATOM 724 CB ALA A 51 -0.498 -1.480 -5.965 1.00 0.00 C ATOM 0 H ALA A 51 -1.390 -4.068 -6.540 1.00 0.00 H new ATOM 0 HA ALA A 51 0.824 -2.281 -7.426 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.266 -0.832 -5.534 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.077 -0.920 -6.699 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.160 -1.835 -5.175 1.00 0.00 H new ATOM 730 N TYR A 52 2.252 -3.000 -5.475 1.00 0.00 N ATOM 731 CA TYR A 52 3.185 -3.668 -4.582 1.00 0.00 C ATOM 732 C TYR A 52 4.293 -2.714 -4.133 1.00 0.00 C ATOM 733 O TYR A 52 4.701 -1.833 -4.888 1.00 0.00 O ATOM 734 CB TYR A 52 3.805 -4.806 -5.395 1.00 0.00 C ATOM 735 CG TYR A 52 4.890 -4.351 -6.373 1.00 0.00 C ATOM 736 CD1 TYR A 52 4.538 -3.866 -7.617 1.00 0.00 C ATOM 737 CD2 TYR A 52 6.220 -4.427 -6.013 1.00 0.00 C ATOM 738 CE1 TYR A 52 5.560 -3.438 -8.538 1.00 0.00 C ATOM 739 CE2 TYR A 52 7.241 -4.000 -6.935 1.00 0.00 C ATOM 740 CZ TYR A 52 6.860 -3.526 -8.152 1.00 0.00 C ATOM 741 OH TYR A 52 7.825 -3.122 -9.021 1.00 0.00 O ATOM 0 H TYR A 52 2.612 -2.150 -5.910 1.00 0.00 H new ATOM 0 HA TYR A 52 2.673 -4.024 -3.688 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.232 -5.538 -4.710 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.017 -5.312 -5.952 1.00 0.00 H new ATOM 0 HD1 TYR A 52 3.497 -3.808 -7.899 1.00 0.00 H new ATOM 0 HD2 TYR A 52 6.495 -4.807 -5.040 1.00 0.00 H new ATOM 0 HE1 TYR A 52 5.299 -3.056 -9.514 1.00 0.00 H new ATOM 0 HE2 TYR A 52 8.286 -4.055 -6.666 1.00 0.00 H new ATOM 0 HH TYR A 52 8.706 -3.241 -8.610 1.00 0.00 H new ATOM 751 N ILE A 53 4.748 -2.923 -2.907 1.00 0.00 N ATOM 752 CA ILE A 53 5.802 -2.092 -2.348 1.00 0.00 C ATOM 753 C ILE A 53 7.025 -2.141 -3.267 1.00 0.00 C ATOM 754 O ILE A 53 7.664 -3.183 -3.401 1.00 0.00 O ATOM 755 CB ILE A 53 6.100 -2.502 -0.906 1.00 0.00 C ATOM 756 CG1 ILE A 53 4.865 -2.327 -0.019 1.00 0.00 C ATOM 757 CG2 ILE A 53 7.311 -1.744 -0.358 1.00 0.00 C ATOM 758 CD1 ILE A 53 5.115 -2.879 1.386 1.00 0.00 C ATOM 0 H ILE A 53 4.407 -3.655 -2.284 1.00 0.00 H new ATOM 0 HA ILE A 53 5.481 -1.052 -2.298 1.00 0.00 H new ATOM 0 HB ILE A 53 6.354 -3.562 -0.899 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.604 -1.270 0.043 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.015 -2.839 -0.469 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.501 -2.055 0.669 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.185 -1.963 -0.971 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.111 -0.673 -0.382 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.222 -2.742 1.995 1.00 0.00 H new ATOM 0 HD12 ILE A 53 5.352 -3.941 1.323 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.950 -2.348 1.842 1.00 0.00 H new ATOM 770 N ALA A 54 7.314 -1.000 -3.875 1.00 0.00 N ATOM 771 CA ALA A 54 8.450 -0.899 -4.777 1.00 0.00 C ATOM 772 C ALA A 54 9.715 -0.615 -3.967 1.00 0.00 C ATOM 773 O ALA A 54 10.697 -1.350 -4.064 1.00 0.00 O ATOM 774 CB ALA A 54 8.174 0.178 -5.827 1.00 0.00 C ATOM 0 H ALA A 54 6.782 -0.137 -3.761 1.00 0.00 H new ATOM 0 HA ALA A 54 8.604 -1.839 -5.308 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.026 0.254 -6.503 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.282 -0.088 -6.395 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.017 1.137 -5.332 1.00 0.00 H new ATOM 780 N LYS A 55 9.652 0.453 -3.185 1.00 0.00 N ATOM 781 CA LYS A 55 10.781 0.844 -2.358 1.00 0.00 C ATOM 782 C LYS A 55 10.276 1.242 -0.970 1.00 0.00 C ATOM 783 O LYS A 55 9.243 1.897 -0.844 1.00 0.00 O ATOM 784 CB LYS A 55 11.600 1.935 -3.052 1.00 0.00 C ATOM 785 CG LYS A 55 12.462 2.697 -2.043 1.00 0.00 C ATOM 786 CD LYS A 55 13.694 1.880 -1.646 1.00 0.00 C ATOM 787 CE LYS A 55 14.779 2.777 -1.048 1.00 0.00 C ATOM 788 NZ LYS A 55 16.103 2.438 -1.616 1.00 0.00 N ATOM 0 H LYS A 55 8.836 1.060 -3.107 1.00 0.00 H new ATOM 0 HA LYS A 55 11.463 0.005 -2.221 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.237 1.487 -3.815 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.931 2.628 -3.562 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.775 3.649 -2.472 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.872 2.927 -1.156 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.410 1.116 -0.923 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.087 1.361 -2.520 1.00 0.00 H new ATOM 0 HE2 LYS A 55 14.547 3.823 -1.250 1.00 0.00 H new ATOM 0 HE3 LYS A 55 14.800 2.659 0.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 16.828 3.056 -1.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 16.329 1.446 -1.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 16.083 2.573 -2.647 1.00 0.00 H new ATOM 802 N ILE A 56 11.032 0.830 0.039 1.00 0.00 N ATOM 803 CA ILE A 56 10.675 1.136 1.413 1.00 0.00 C ATOM 804 C ILE A 56 11.629 2.200 1.960 1.00 0.00 C ATOM 805 O ILE A 56 12.803 1.921 2.201 1.00 0.00 O ATOM 806 CB ILE A 56 10.633 -0.143 2.253 1.00 0.00 C ATOM 807 CG1 ILE A 56 9.360 -0.943 1.971 1.00 0.00 C ATOM 808 CG2 ILE A 56 10.794 0.174 3.742 1.00 0.00 C ATOM 809 CD1 ILE A 56 9.001 -1.839 3.158 1.00 0.00 C ATOM 0 H ILE A 56 11.889 0.288 -0.069 1.00 0.00 H new ATOM 0 HA ILE A 56 9.670 1.555 1.461 1.00 0.00 H new ATOM 0 HB ILE A 56 11.477 -0.770 1.964 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.536 -0.260 1.764 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.500 -1.554 1.079 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.761 -0.752 4.317 1.00 0.00 H new ATOM 0 HG22 ILE A 56 11.751 0.669 3.907 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.985 0.830 4.064 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.092 -2.397 2.931 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.817 -2.536 3.347 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.838 -1.223 4.042 1.00 0.00 H new ATOM 821 N LEU A 57 11.090 3.397 2.139 1.00 0.00 N ATOM 822 CA LEU A 57 11.879 4.504 2.652 1.00 0.00 C ATOM 823 C LEU A 57 12.802 3.995 3.762 1.00 0.00 C ATOM 824 O LEU A 57 12.489 3.013 4.432 1.00 0.00 O ATOM 825 CB LEU A 57 10.969 5.654 3.087 1.00 0.00 C ATOM 826 CG LEU A 57 10.499 6.594 1.974 1.00 0.00 C ATOM 827 CD1 LEU A 57 11.543 7.677 1.693 1.00 0.00 C ATOM 828 CD2 LEU A 57 10.131 5.811 0.713 1.00 0.00 C ATOM 0 H LEU A 57 10.116 3.624 1.938 1.00 0.00 H new ATOM 0 HA LEU A 57 12.517 4.913 1.869 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.090 5.232 3.574 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.496 6.245 3.836 1.00 0.00 H new ATOM 0 HG LEU A 57 9.595 7.099 2.314 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.184 8.331 0.898 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.712 8.263 2.597 1.00 0.00 H new ATOM 0 HD13 LEU A 57 12.478 7.210 1.384 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.801 6.503 -0.062 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.003 5.260 0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.327 5.111 0.941 1.00 0.00 H new ATOM 840 N PRO A 58 13.949 4.707 3.927 1.00 0.00 N ATOM 841 CA PRO A 58 14.918 4.337 4.944 1.00 0.00 C ATOM 842 C PRO A 58 14.429 4.738 6.338 1.00 0.00 C ATOM 843 O PRO A 58 13.975 5.863 6.541 1.00 0.00 O ATOM 844 CB PRO A 58 16.202 5.044 4.539 1.00 0.00 C ATOM 845 CG PRO A 58 15.786 6.147 3.579 1.00 0.00 C ATOM 846 CD PRO A 58 14.353 5.876 3.152 1.00 0.00 C ATOM 0 HA PRO A 58 15.074 3.260 5.005 1.00 0.00 H new ATOM 0 HB2 PRO A 58 16.712 5.456 5.410 1.00 0.00 H new ATOM 0 HB3 PRO A 58 16.895 4.352 4.061 1.00 0.00 H new ATOM 0 HG2 PRO A 58 15.863 7.122 4.061 1.00 0.00 H new ATOM 0 HG3 PRO A 58 16.446 6.167 2.712 1.00 0.00 H new ATOM 0 HD2 PRO A 58 13.710 6.731 3.360 1.00 0.00 H new ATOM 0 HD3 PRO A 58 14.289 5.682 2.081 1.00 0.00 H new ATOM 854 N GLY A 59 14.539 3.795 7.262 1.00 0.00 N ATOM 855 CA GLY A 59 14.115 4.035 8.631 1.00 0.00 C ATOM 856 C GLY A 59 12.859 4.908 8.669 1.00 0.00 C ATOM 857 O GLY A 59 12.772 5.842 9.466 1.00 0.00 O ATOM 0 H GLY A 59 14.916 2.863 7.090 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.917 3.085 9.126 1.00 0.00 H new ATOM 0 HA3 GLY A 59 14.918 4.522 9.184 1.00 0.00 H new ATOM 861 N GLY A 60 11.917 4.574 7.799 1.00 0.00 N ATOM 862 CA GLY A 60 10.670 5.316 7.725 1.00 0.00 C ATOM 863 C GLY A 60 9.594 4.670 8.600 1.00 0.00 C ATOM 864 O GLY A 60 9.869 3.714 9.324 1.00 0.00 O ATOM 0 H GLY A 60 11.992 3.800 7.139 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.835 6.345 8.046 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.327 5.356 6.691 1.00 0.00 H new ATOM 868 N SER A 61 8.393 5.219 8.507 1.00 0.00 N ATOM 869 CA SER A 61 7.275 4.709 9.282 1.00 0.00 C ATOM 870 C SER A 61 6.942 3.281 8.845 1.00 0.00 C ATOM 871 O SER A 61 6.512 2.463 9.657 1.00 0.00 O ATOM 872 CB SER A 61 6.045 5.608 9.135 1.00 0.00 C ATOM 873 OG SER A 61 6.309 6.946 9.548 1.00 0.00 O ATOM 0 H SER A 61 8.169 6.012 7.907 1.00 0.00 H new ATOM 0 HA SER A 61 7.564 4.703 10.333 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.718 5.607 8.095 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.226 5.201 9.727 1.00 0.00 H new ATOM 0 HG SER A 61 5.500 7.488 9.437 1.00 0.00 H new ATOM 879 N ALA A 62 7.154 3.025 7.562 1.00 0.00 N ATOM 880 CA ALA A 62 6.883 1.710 7.007 1.00 0.00 C ATOM 881 C ALA A 62 7.956 0.728 7.483 1.00 0.00 C ATOM 882 O ALA A 62 7.651 -0.245 8.171 1.00 0.00 O ATOM 883 CB ALA A 62 6.815 1.804 5.481 1.00 0.00 C ATOM 0 H ALA A 62 7.510 3.706 6.891 1.00 0.00 H new ATOM 0 HA ALA A 62 5.919 1.339 7.355 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.612 0.817 5.064 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.018 2.490 5.194 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.766 2.171 5.096 1.00 0.00 H new ATOM 889 N GLU A 63 9.190 1.019 7.100 1.00 0.00 N ATOM 890 CA GLU A 63 10.310 0.175 7.480 1.00 0.00 C ATOM 891 C GLU A 63 10.328 -0.034 8.995 1.00 0.00 C ATOM 892 O GLU A 63 10.891 -1.013 9.485 1.00 0.00 O ATOM 893 CB GLU A 63 11.634 0.767 6.993 1.00 0.00 C ATOM 894 CG GLU A 63 12.769 -0.251 7.118 1.00 0.00 C ATOM 895 CD GLU A 63 12.844 -1.145 5.879 1.00 0.00 C ATOM 896 OE1 GLU A 63 11.958 -2.019 5.757 1.00 0.00 O ATOM 897 OE2 GLU A 63 13.783 -0.935 5.083 1.00 0.00 O ATOM 0 H GLU A 63 9.439 1.828 6.530 1.00 0.00 H new ATOM 0 HA GLU A 63 10.186 -0.796 7.000 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.536 1.081 5.954 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.874 1.657 7.574 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.717 0.271 7.252 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.615 -0.865 8.005 1.00 0.00 H new ATOM 904 N GLN A 64 9.705 0.902 9.697 1.00 0.00 N ATOM 905 CA GLN A 64 9.642 0.833 11.146 1.00 0.00 C ATOM 906 C GLN A 64 8.956 -0.462 11.587 1.00 0.00 C ATOM 907 O GLN A 64 9.526 -1.243 12.348 1.00 0.00 O ATOM 908 CB GLN A 64 8.926 2.055 11.723 1.00 0.00 C ATOM 909 CG GLN A 64 9.919 3.002 12.402 1.00 0.00 C ATOM 910 CD GLN A 64 9.442 3.380 13.807 1.00 0.00 C ATOM 911 OE1 GLN A 64 8.346 3.877 14.005 1.00 0.00 O ATOM 912 NE2 GLN A 64 10.325 3.118 14.766 1.00 0.00 N ATOM 0 H GLN A 64 9.239 1.712 9.288 1.00 0.00 H new ATOM 0 HA GLN A 64 10.661 0.833 11.534 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.401 2.583 10.927 1.00 0.00 H new ATOM 0 HB3 GLN A 64 8.174 1.734 12.443 1.00 0.00 H new ATOM 0 HG2 GLN A 64 10.898 2.527 12.462 1.00 0.00 H new ATOM 0 HG3 GLN A 64 10.038 3.903 11.800 1.00 0.00 H new ATOM 0 HE21 GLN A 64 11.225 2.701 14.530 1.00 0.00 H new ATOM 0 HE22 GLN A 64 10.102 3.334 15.738 1.00 0.00 H new ATOM 921 N THR A 65 7.742 -0.650 11.091 1.00 0.00 N ATOM 922 CA THR A 65 6.973 -1.836 11.423 1.00 0.00 C ATOM 923 C THR A 65 7.864 -3.079 11.381 1.00 0.00 C ATOM 924 O THR A 65 7.944 -3.824 12.356 1.00 0.00 O ATOM 925 CB THR A 65 5.781 -1.910 10.466 1.00 0.00 C ATOM 926 OG1 THR A 65 6.377 -2.011 9.176 1.00 0.00 O ATOM 927 CG2 THR A 65 4.992 -0.601 10.412 1.00 0.00 C ATOM 0 H THR A 65 7.272 0.000 10.461 1.00 0.00 H new ATOM 0 HA THR A 65 6.588 -1.785 12.441 1.00 0.00 H new ATOM 0 HB THR A 65 5.119 -2.720 10.773 1.00 0.00 H new ATOM 0 HG1 THR A 65 6.563 -1.113 8.830 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.158 -0.707 9.719 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.611 -0.365 11.405 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.645 0.204 10.073 1.00 0.00 H new ATOM 935 N GLY A 66 8.512 -3.265 10.240 1.00 0.00 N ATOM 936 CA GLY A 66 9.395 -4.404 10.058 1.00 0.00 C ATOM 937 C GLY A 66 8.710 -5.504 9.243 1.00 0.00 C ATOM 938 O GLY A 66 9.342 -6.147 8.407 1.00 0.00 O ATOM 0 H GLY A 66 8.443 -2.646 9.432 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.306 -4.085 9.552 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.692 -4.798 11.030 1.00 0.00 H new ATOM 942 N LYS A 67 7.425 -5.684 9.515 1.00 0.00 N ATOM 943 CA LYS A 67 6.649 -6.694 8.817 1.00 0.00 C ATOM 944 C LYS A 67 6.583 -6.344 7.330 1.00 0.00 C ATOM 945 O LYS A 67 6.599 -7.232 6.478 1.00 0.00 O ATOM 946 CB LYS A 67 5.275 -6.859 9.471 1.00 0.00 C ATOM 947 CG LYS A 67 5.152 -8.224 10.152 1.00 0.00 C ATOM 948 CD LYS A 67 4.331 -9.192 9.297 1.00 0.00 C ATOM 949 CE LYS A 67 4.885 -10.615 9.397 1.00 0.00 C ATOM 950 NZ LYS A 67 5.882 -10.858 8.330 1.00 0.00 N ATOM 0 H LYS A 67 6.903 -5.148 10.208 1.00 0.00 H new ATOM 0 HA LYS A 67 7.134 -7.667 8.894 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.120 -6.068 10.204 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.495 -6.753 8.718 1.00 0.00 H new ATOM 0 HG2 LYS A 67 6.145 -8.639 10.325 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.681 -8.106 11.128 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.291 -9.179 9.623 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.343 -8.865 8.257 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.345 -10.765 10.374 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.071 -11.335 9.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 6.248 -11.828 8.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.433 -10.735 7.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 6.667 -10.182 8.427 1.00 0.00 H new ATOM 964 N LEU A 68 6.510 -5.048 7.062 1.00 0.00 N ATOM 965 CA LEU A 68 6.442 -4.569 5.691 1.00 0.00 C ATOM 966 C LEU A 68 7.788 -4.811 5.005 1.00 0.00 C ATOM 967 O LEU A 68 8.838 -4.717 5.639 1.00 0.00 O ATOM 968 CB LEU A 68 5.986 -3.110 5.656 1.00 0.00 C ATOM 969 CG LEU A 68 4.492 -2.868 5.880 1.00 0.00 C ATOM 970 CD1 LEU A 68 3.704 -3.068 4.585 1.00 0.00 C ATOM 971 CD2 LEU A 68 3.960 -3.744 7.016 1.00 0.00 C ATOM 0 H LEU A 68 6.496 -4.315 7.771 1.00 0.00 H new ATOM 0 HA LEU A 68 5.693 -5.126 5.128 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.541 -2.558 6.415 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.261 -2.687 4.690 1.00 0.00 H new ATOM 0 HG LEU A 68 4.355 -1.830 6.182 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.645 -2.890 4.772 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.062 -2.368 3.830 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.843 -4.089 4.229 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.896 -3.553 7.155 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.111 -4.794 6.767 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.494 -3.510 7.937 1.00 0.00 H new ATOM 983 N MET A 69 7.713 -5.116 3.718 1.00 0.00 N ATOM 984 CA MET A 69 8.913 -5.371 2.938 1.00 0.00 C ATOM 985 C MET A 69 8.639 -5.206 1.442 1.00 0.00 C ATOM 986 O MET A 69 7.503 -5.356 0.994 1.00 0.00 O ATOM 987 CB MET A 69 9.407 -6.792 3.213 1.00 0.00 C ATOM 988 CG MET A 69 10.342 -6.822 4.424 1.00 0.00 C ATOM 989 SD MET A 69 11.872 -7.635 3.993 1.00 0.00 S ATOM 990 CE MET A 69 11.832 -9.001 5.141 1.00 0.00 C ATOM 0 H MET A 69 6.840 -5.192 3.195 1.00 0.00 H new ATOM 0 HA MET A 69 9.675 -4.649 3.230 1.00 0.00 H new ATOM 0 HB2 MET A 69 8.556 -7.449 3.390 1.00 0.00 H new ATOM 0 HB3 MET A 69 9.929 -7.176 2.336 1.00 0.00 H new ATOM 0 HG2 MET A 69 10.543 -5.806 4.764 1.00 0.00 H new ATOM 0 HG3 MET A 69 9.863 -7.346 5.251 1.00 0.00 H new ATOM 0 HE1 MET A 69 12.722 -9.616 5.006 1.00 0.00 H new ATOM 0 HE2 MET A 69 11.806 -8.618 6.161 1.00 0.00 H new ATOM 0 HE3 MET A 69 10.943 -9.605 4.957 1.00 0.00 H new ATOM 1000 N GLU A 70 9.699 -4.898 0.710 1.00 0.00 N ATOM 1001 CA GLU A 70 9.588 -4.710 -0.728 1.00 0.00 C ATOM 1002 C GLU A 70 9.149 -6.013 -1.400 1.00 0.00 C ATOM 1003 O GLU A 70 9.341 -7.096 -0.849 1.00 0.00 O ATOM 1004 CB GLU A 70 10.905 -4.204 -1.319 1.00 0.00 C ATOM 1005 CG GLU A 70 11.363 -2.923 -0.620 1.00 0.00 C ATOM 1006 CD GLU A 70 12.881 -2.918 -0.422 1.00 0.00 C ATOM 1007 OE1 GLU A 70 13.333 -3.609 0.516 1.00 0.00 O ATOM 1008 OE2 GLU A 70 13.554 -2.222 -1.213 1.00 0.00 O ATOM 0 H GLU A 70 10.639 -4.774 1.085 1.00 0.00 H new ATOM 0 HA GLU A 70 8.829 -3.951 -0.918 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.672 -4.972 -1.218 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.781 -4.016 -2.385 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.067 -2.056 -1.211 1.00 0.00 H new ATOM 0 HG3 GLU A 70 10.866 -2.834 0.346 1.00 0.00 H new ATOM 1015 N GLY A 71 8.569 -5.864 -2.582 1.00 0.00 N ATOM 1016 CA GLY A 71 8.102 -7.015 -3.336 1.00 0.00 C ATOM 1017 C GLY A 71 6.799 -7.564 -2.749 1.00 0.00 C ATOM 1018 O GLY A 71 6.373 -8.663 -3.097 1.00 0.00 O ATOM 0 H GLY A 71 8.412 -4.964 -3.036 1.00 0.00 H new ATOM 0 HA2 GLY A 71 7.945 -6.733 -4.377 1.00 0.00 H new ATOM 0 HA3 GLY A 71 8.865 -7.793 -3.328 1.00 0.00 H new ATOM 1022 N MET A 72 6.205 -6.771 -1.870 1.00 0.00 N ATOM 1023 CA MET A 72 4.960 -7.163 -1.232 1.00 0.00 C ATOM 1024 C MET A 72 3.755 -6.580 -1.975 1.00 0.00 C ATOM 1025 O MET A 72 3.624 -5.362 -2.092 1.00 0.00 O ATOM 1026 CB MET A 72 4.951 -6.671 0.218 1.00 0.00 C ATOM 1027 CG MET A 72 5.674 -7.661 1.135 1.00 0.00 C ATOM 1028 SD MET A 72 4.517 -8.863 1.767 1.00 0.00 S ATOM 1029 CE MET A 72 4.716 -8.592 3.520 1.00 0.00 C ATOM 0 H MET A 72 6.562 -5.859 -1.585 1.00 0.00 H new ATOM 0 HA MET A 72 4.888 -8.250 -1.257 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.433 -5.695 0.278 1.00 0.00 H new ATOM 0 HB3 MET A 72 3.923 -6.540 0.556 1.00 0.00 H new ATOM 0 HG2 MET A 72 6.470 -8.164 0.586 1.00 0.00 H new ATOM 0 HG3 MET A 72 6.145 -7.128 1.961 1.00 0.00 H new ATOM 0 HE1 MET A 72 3.831 -8.950 4.046 1.00 0.00 H new ATOM 0 HE2 MET A 72 5.593 -9.134 3.875 1.00 0.00 H new ATOM 0 HE3 MET A 72 4.846 -7.527 3.711 1.00 0.00 H new ATOM 1039 N GLN A 73 2.908 -7.476 -2.457 1.00 0.00 N ATOM 1040 CA GLN A 73 1.718 -7.066 -3.185 1.00 0.00 C ATOM 1041 C GLN A 73 0.701 -6.437 -2.231 1.00 0.00 C ATOM 1042 O GLN A 73 0.196 -7.105 -1.329 1.00 0.00 O ATOM 1043 CB GLN A 73 1.105 -8.246 -3.941 1.00 0.00 C ATOM 1044 CG GLN A 73 -0.186 -7.831 -4.649 1.00 0.00 C ATOM 1045 CD GLN A 73 -0.976 -9.058 -5.112 1.00 0.00 C ATOM 1046 OE1 GLN A 73 -0.570 -10.194 -4.933 1.00 0.00 O ATOM 1047 NE2 GLN A 73 -2.126 -8.765 -5.715 1.00 0.00 N ATOM 0 H GLN A 73 3.021 -8.485 -2.358 1.00 0.00 H new ATOM 0 HA GLN A 73 2.007 -6.316 -3.921 1.00 0.00 H new ATOM 0 HB2 GLN A 73 1.819 -8.625 -4.672 1.00 0.00 H new ATOM 0 HB3 GLN A 73 0.898 -9.060 -3.246 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -0.799 -7.233 -3.975 1.00 0.00 H new ATOM 0 HG3 GLN A 73 0.051 -7.202 -5.507 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -2.407 -7.791 -5.833 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -2.727 -9.514 -6.059 1.00 0.00 H new ATOM 1056 N VAL A 74 0.433 -5.161 -2.461 1.00 0.00 N ATOM 1057 CA VAL A 74 -0.515 -4.434 -1.632 1.00 0.00 C ATOM 1058 C VAL A 74 -1.938 -4.760 -2.087 1.00 0.00 C ATOM 1059 O VAL A 74 -2.359 -4.346 -3.166 1.00 0.00 O ATOM 1060 CB VAL A 74 -0.203 -2.937 -1.670 1.00 0.00 C ATOM 1061 CG1 VAL A 74 -1.111 -2.163 -0.713 1.00 0.00 C ATOM 1062 CG2 VAL A 74 1.271 -2.676 -1.358 1.00 0.00 C ATOM 0 H VAL A 74 0.855 -4.611 -3.209 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.428 -4.744 -0.591 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.400 -2.580 -2.681 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.868 -1.101 -0.760 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.152 -2.310 -1.000 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.961 -2.525 0.304 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.466 -1.604 -1.392 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.505 -3.056 -0.364 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.894 -3.181 -2.096 1.00 0.00 H new ATOM 1072 N LEU A 75 -2.642 -5.501 -1.242 1.00 0.00 N ATOM 1073 CA LEU A 75 -4.009 -5.887 -1.544 1.00 0.00 C ATOM 1074 C LEU A 75 -4.922 -4.668 -1.403 1.00 0.00 C ATOM 1075 O LEU A 75 -5.638 -4.312 -2.337 1.00 0.00 O ATOM 1076 CB LEU A 75 -4.432 -7.076 -0.680 1.00 0.00 C ATOM 1077 CG LEU A 75 -3.506 -8.293 -0.711 1.00 0.00 C ATOM 1078 CD1 LEU A 75 -3.489 -9.004 0.642 1.00 0.00 C ATOM 1079 CD2 LEU A 75 -3.882 -9.240 -1.853 1.00 0.00 C ATOM 0 H LEU A 75 -2.290 -5.844 -0.348 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.090 -6.228 -2.576 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.518 -6.737 0.352 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.426 -7.393 -0.995 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.491 -7.945 -0.903 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.823 -9.865 0.592 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.136 -8.316 1.410 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.496 -9.338 0.890 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.208 -10.097 -1.852 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.907 -9.585 -1.717 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.799 -8.714 -2.804 1.00 0.00 H new ATOM 1091 N GLU A 76 -4.867 -4.060 -0.227 1.00 0.00 N ATOM 1092 CA GLU A 76 -5.680 -2.888 0.049 1.00 0.00 C ATOM 1093 C GLU A 76 -4.878 -1.863 0.854 1.00 0.00 C ATOM 1094 O GLU A 76 -3.979 -2.228 1.610 1.00 0.00 O ATOM 1095 CB GLU A 76 -6.967 -3.273 0.781 1.00 0.00 C ATOM 1096 CG GLU A 76 -7.881 -4.109 -0.119 1.00 0.00 C ATOM 1097 CD GLU A 76 -9.076 -4.652 0.666 1.00 0.00 C ATOM 1098 OE1 GLU A 76 -8.920 -4.816 1.896 1.00 0.00 O ATOM 1099 OE2 GLU A 76 -10.118 -4.891 0.019 1.00 0.00 O ATOM 0 H GLU A 76 -4.272 -4.357 0.546 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.963 -2.435 -0.901 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.723 -3.837 1.681 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.491 -2.372 1.101 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.234 -3.500 -0.951 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.317 -4.937 -0.548 1.00 0.00 H new ATOM 1106 N TRP A 77 -5.232 -0.601 0.664 1.00 0.00 N ATOM 1107 CA TRP A 77 -4.557 0.480 1.362 1.00 0.00 C ATOM 1108 C TRP A 77 -5.623 1.351 2.029 1.00 0.00 C ATOM 1109 O TRP A 77 -6.421 1.994 1.348 1.00 0.00 O ATOM 1110 CB TRP A 77 -3.652 1.266 0.411 1.00 0.00 C ATOM 1111 CG TRP A 77 -3.143 2.588 0.988 1.00 0.00 C ATOM 1112 CD1 TRP A 77 -3.691 3.806 0.870 1.00 0.00 C ATOM 1113 CD2 TRP A 77 -1.953 2.778 1.783 1.00 0.00 C ATOM 1114 NE1 TRP A 77 -2.946 4.762 1.528 1.00 0.00 N ATOM 1115 CE2 TRP A 77 -1.856 4.117 2.101 1.00 0.00 C ATOM 1116 CE3 TRP A 77 -0.993 1.849 2.219 1.00 0.00 C ATOM 1117 CZ2 TRP A 77 -0.811 4.649 2.869 1.00 0.00 C ATOM 1118 CZ3 TRP A 77 0.044 2.396 2.985 1.00 0.00 C ATOM 1119 CH2 TRP A 77 0.158 3.742 3.313 1.00 0.00 C ATOM 0 H TRP A 77 -5.978 -0.302 0.036 1.00 0.00 H new ATOM 0 HA TRP A 77 -3.896 0.087 2.134 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -2.797 0.645 0.143 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -4.199 1.470 -0.510 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -4.602 4.013 0.328 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -3.156 5.759 1.584 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -1.050 0.797 1.982 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -0.757 5.701 3.105 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 0.809 1.725 3.346 1.00 0.00 H new ATOM 0 HH2 TRP A 77 0.991 4.086 3.908 1.00 0.00 H new ATOM 1130 N ASN A 78 -5.602 1.345 3.354 1.00 0.00 N ATOM 1131 CA ASN A 78 -6.558 2.126 4.121 1.00 0.00 C ATOM 1132 C ASN A 78 -7.979 1.727 3.717 1.00 0.00 C ATOM 1133 O ASN A 78 -8.896 2.545 3.770 1.00 0.00 O ATOM 1134 CB ASN A 78 -6.391 3.623 3.847 1.00 0.00 C ATOM 1135 CG ASN A 78 -5.077 4.144 4.430 1.00 0.00 C ATOM 1136 OD1 ASN A 78 -3.992 3.587 3.900 1.00 0.00 O flip ATOM 1137 ND2 ASN A 78 -5.049 4.996 5.303 1.00 0.00 N flip ATOM 0 H ASN A 78 -4.938 0.812 3.916 1.00 0.00 H new ATOM 0 HA ASN A 78 -6.382 1.930 5.179 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -6.413 3.804 2.772 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.228 4.171 4.280 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -5.920 5.383 5.666 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -4.154 5.322 5.669 1.00 0.00 H new ATOM 1144 N GLY A 79 -8.116 0.470 3.323 1.00 0.00 N ATOM 1145 CA GLY A 79 -9.409 -0.048 2.911 1.00 0.00 C ATOM 1146 C GLY A 79 -9.518 -0.100 1.385 1.00 0.00 C ATOM 1147 O GLY A 79 -9.845 -1.141 0.818 1.00 0.00 O ATOM 0 H GLY A 79 -7.353 -0.205 3.280 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.553 -1.047 3.324 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -10.202 0.581 3.315 1.00 0.00 H new ATOM 1151 N ILE A 80 -9.237 1.037 0.765 1.00 0.00 N ATOM 1152 CA ILE A 80 -9.300 1.134 -0.683 1.00 0.00 C ATOM 1153 C ILE A 80 -8.328 0.125 -1.300 1.00 0.00 C ATOM 1154 O ILE A 80 -7.146 0.112 -0.962 1.00 0.00 O ATOM 1155 CB ILE A 80 -9.058 2.576 -1.134 1.00 0.00 C ATOM 1156 CG1 ILE A 80 -10.107 3.519 -0.544 1.00 0.00 C ATOM 1157 CG2 ILE A 80 -8.996 2.670 -2.660 1.00 0.00 C ATOM 1158 CD1 ILE A 80 -9.600 4.167 0.746 1.00 0.00 C ATOM 0 H ILE A 80 -8.965 1.898 1.239 1.00 0.00 H new ATOM 0 HA ILE A 80 -10.297 0.876 -1.040 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.088 2.895 -0.752 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.355 4.293 -1.271 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -11.024 2.967 -0.341 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -8.823 3.705 -2.954 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -8.182 2.047 -3.030 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -9.939 2.325 -3.084 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -10.366 4.833 1.144 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -9.376 3.392 1.479 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -8.696 4.739 0.535 1.00 0.00 H new ATOM 1170 N PRO A 81 -8.878 -0.715 -2.217 1.00 0.00 N ATOM 1171 CA PRO A 81 -8.073 -1.724 -2.884 1.00 0.00 C ATOM 1172 C PRO A 81 -7.175 -1.094 -3.949 1.00 0.00 C ATOM 1173 O PRO A 81 -7.477 -0.018 -4.464 1.00 0.00 O ATOM 1174 CB PRO A 81 -9.076 -2.711 -3.460 1.00 0.00 C ATOM 1175 CG PRO A 81 -10.407 -1.977 -3.497 1.00 0.00 C ATOM 1176 CD PRO A 81 -10.275 -0.727 -2.642 1.00 0.00 C ATOM 0 HA PRO A 81 -7.384 -2.227 -2.206 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -8.779 -3.032 -4.458 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -9.141 -3.607 -2.843 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -10.669 -1.713 -4.522 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -11.205 -2.615 -3.119 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -10.524 0.169 -3.210 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -10.949 -0.760 -1.786 1.00 0.00 H new ATOM 1184 N LEU A 82 -6.088 -1.790 -4.249 1.00 0.00 N ATOM 1185 CA LEU A 82 -5.144 -1.311 -5.245 1.00 0.00 C ATOM 1186 C LEU A 82 -4.965 -2.379 -6.326 1.00 0.00 C ATOM 1187 O LEU A 82 -3.869 -2.549 -6.859 1.00 0.00 O ATOM 1188 CB LEU A 82 -3.835 -0.883 -4.579 1.00 0.00 C ATOM 1189 CG LEU A 82 -3.963 0.116 -3.428 1.00 0.00 C ATOM 1190 CD1 LEU A 82 -2.593 0.448 -2.835 1.00 0.00 C ATOM 1191 CD2 LEU A 82 -4.714 1.373 -3.873 1.00 0.00 C ATOM 0 H LEU A 82 -5.840 -2.682 -3.820 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.529 -0.419 -5.739 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.332 -1.775 -4.205 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.188 -0.448 -5.341 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.552 -0.349 -2.637 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.713 1.160 -2.019 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.130 -0.463 -2.457 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.958 0.884 -3.607 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.791 2.066 -3.036 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.173 1.850 -4.690 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.714 1.099 -4.210 1.00 0.00 H new ATOM 1203 N THR A 83 -6.056 -3.071 -6.617 1.00 0.00 N ATOM 1204 CA THR A 83 -6.033 -4.117 -7.625 1.00 0.00 C ATOM 1205 C THR A 83 -6.796 -3.673 -8.874 1.00 0.00 C ATOM 1206 O THR A 83 -7.841 -3.031 -8.771 1.00 0.00 O ATOM 1207 CB THR A 83 -6.591 -5.394 -6.994 1.00 0.00 C ATOM 1208 OG1 THR A 83 -5.530 -5.864 -6.165 1.00 0.00 O ATOM 1209 CG2 THR A 83 -6.788 -6.515 -8.016 1.00 0.00 C ATOM 0 H THR A 83 -6.963 -2.928 -6.172 1.00 0.00 H new ATOM 0 HA THR A 83 -5.016 -4.320 -7.960 1.00 0.00 H new ATOM 0 HB THR A 83 -7.542 -5.173 -6.509 1.00 0.00 H new ATOM 0 HG1 THR A 83 -5.807 -6.690 -5.715 1.00 0.00 H new ATOM 0 HG21 THR A 83 -7.186 -7.398 -7.516 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.488 -6.188 -8.785 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.831 -6.759 -8.477 1.00 0.00 H new ATOM 1217 N SER A 84 -6.246 -4.031 -10.024 1.00 0.00 N ATOM 1218 CA SER A 84 -6.863 -3.678 -11.291 1.00 0.00 C ATOM 1219 C SER A 84 -6.876 -2.157 -11.460 1.00 0.00 C ATOM 1220 O SER A 84 -7.826 -1.598 -12.005 1.00 0.00 O ATOM 1221 CB SER A 84 -8.285 -4.234 -11.386 1.00 0.00 C ATOM 1222 OG SER A 84 -8.625 -4.604 -12.719 1.00 0.00 O ATOM 0 H SER A 84 -5.379 -4.562 -10.105 1.00 0.00 H new ATOM 0 HA SER A 84 -6.274 -4.122 -12.093 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.379 -5.102 -10.734 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.992 -3.486 -11.026 1.00 0.00 H new ATOM 0 HG SER A 84 -9.540 -4.956 -12.738 1.00 0.00 H new ATOM 1228 N LYS A 85 -5.810 -1.531 -10.983 1.00 0.00 N ATOM 1229 CA LYS A 85 -5.686 -0.087 -11.075 1.00 0.00 C ATOM 1230 C LYS A 85 -4.405 0.265 -11.833 1.00 0.00 C ATOM 1231 O LYS A 85 -3.884 -0.552 -12.591 1.00 0.00 O ATOM 1232 CB LYS A 85 -5.771 0.548 -9.685 1.00 0.00 C ATOM 1233 CG LYS A 85 -7.000 0.042 -8.925 1.00 0.00 C ATOM 1234 CD LYS A 85 -8.173 1.013 -9.071 1.00 0.00 C ATOM 1235 CE LYS A 85 -8.965 1.115 -7.767 1.00 0.00 C ATOM 1236 NZ LYS A 85 -10.407 0.897 -8.018 1.00 0.00 N ATOM 0 H LYS A 85 -5.024 -1.998 -10.531 1.00 0.00 H new ATOM 0 HA LYS A 85 -6.518 0.330 -11.643 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.868 0.316 -9.120 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.818 1.633 -9.779 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.287 -0.940 -9.302 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.754 -0.081 -7.870 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.801 1.998 -9.353 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -8.829 0.678 -9.874 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.598 0.377 -7.053 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.812 2.096 -7.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -10.930 0.970 -7.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -10.756 1.617 -8.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -10.549 -0.049 -8.426 1.00 0.00 H new ATOM 1250 N THR A 86 -3.934 1.482 -11.603 1.00 0.00 N ATOM 1251 CA THR A 86 -2.723 1.951 -12.256 1.00 0.00 C ATOM 1252 C THR A 86 -1.857 2.738 -11.270 1.00 0.00 C ATOM 1253 O THR A 86 -2.336 3.162 -10.220 1.00 0.00 O ATOM 1254 CB THR A 86 -3.133 2.761 -13.487 1.00 0.00 C ATOM 1255 OG1 THR A 86 -3.904 3.835 -12.954 1.00 0.00 O ATOM 1256 CG2 THR A 86 -4.115 2.006 -14.384 1.00 0.00 C ATOM 0 H THR A 86 -4.369 2.157 -10.974 1.00 0.00 H new ATOM 0 HA THR A 86 -2.105 1.118 -12.590 1.00 0.00 H new ATOM 0 HB THR A 86 -2.245 3.023 -14.062 1.00 0.00 H new ATOM 0 HG1 THR A 86 -4.772 3.871 -13.408 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.373 2.625 -15.243 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.654 1.081 -14.730 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.018 1.773 -13.820 1.00 0.00 H new ATOM 1264 N TYR A 87 -0.598 2.909 -11.644 1.00 0.00 N ATOM 1265 CA TYR A 87 0.339 3.638 -10.807 1.00 0.00 C ATOM 1266 C TYR A 87 -0.285 4.933 -10.283 1.00 0.00 C ATOM 1267 O TYR A 87 -0.446 5.104 -9.075 1.00 0.00 O ATOM 1268 CB TYR A 87 1.526 3.987 -11.707 1.00 0.00 C ATOM 1269 CG TYR A 87 2.707 4.615 -10.964 1.00 0.00 C ATOM 1270 CD1 TYR A 87 2.575 5.865 -10.391 1.00 0.00 C ATOM 1271 CD2 TYR A 87 3.903 3.935 -10.866 1.00 0.00 C ATOM 1272 CE1 TYR A 87 3.686 6.457 -9.692 1.00 0.00 C ATOM 1273 CE2 TYR A 87 5.014 4.527 -10.167 1.00 0.00 C ATOM 1274 CZ TYR A 87 4.851 5.759 -9.615 1.00 0.00 C ATOM 1275 OH TYR A 87 5.899 6.318 -8.954 1.00 0.00 O ATOM 0 H TYR A 87 -0.205 2.555 -12.516 1.00 0.00 H new ATOM 0 HA TYR A 87 0.630 3.037 -9.945 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.866 3.082 -12.210 1.00 0.00 H new ATOM 0 HB3 TYR A 87 1.191 4.675 -12.483 1.00 0.00 H new ATOM 0 HD1 TYR A 87 1.639 6.398 -10.467 1.00 0.00 H new ATOM 0 HD2 TYR A 87 4.006 2.958 -11.314 1.00 0.00 H new ATOM 0 HE1 TYR A 87 3.596 7.433 -9.239 1.00 0.00 H new ATOM 0 HE2 TYR A 87 5.955 4.004 -10.083 1.00 0.00 H new ATOM 0 HH TYR A 87 6.665 5.707 -8.978 1.00 0.00 H new ATOM 1285 N GLU A 88 -0.621 5.810 -11.217 1.00 0.00 N ATOM 1286 CA GLU A 88 -1.224 7.085 -10.865 1.00 0.00 C ATOM 1287 C GLU A 88 -2.400 6.869 -9.910 1.00 0.00 C ATOM 1288 O GLU A 88 -2.364 7.317 -8.765 1.00 0.00 O ATOM 1289 CB GLU A 88 -1.666 7.847 -12.116 1.00 0.00 C ATOM 1290 CG GLU A 88 -0.634 8.907 -12.505 1.00 0.00 C ATOM 1291 CD GLU A 88 -1.267 10.300 -12.540 1.00 0.00 C ATOM 1292 OE1 GLU A 88 -2.002 10.565 -13.516 1.00 0.00 O ATOM 1293 OE2 GLU A 88 -1.001 11.068 -11.591 1.00 0.00 O ATOM 0 H GLU A 88 -0.487 5.663 -12.217 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.475 7.692 -10.357 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.804 7.149 -12.942 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.630 8.322 -11.935 1.00 0.00 H new ATOM 0 HG2 GLU A 88 0.191 8.896 -11.792 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.214 8.670 -13.482 1.00 0.00 H new ATOM 1300 N GLU A 89 -3.414 6.183 -10.417 1.00 0.00 N ATOM 1301 CA GLU A 89 -4.598 5.903 -9.624 1.00 0.00 C ATOM 1302 C GLU A 89 -4.200 5.440 -8.221 1.00 0.00 C ATOM 1303 O GLU A 89 -4.485 6.119 -7.235 1.00 0.00 O ATOM 1304 CB GLU A 89 -5.486 4.864 -10.313 1.00 0.00 C ATOM 1305 CG GLU A 89 -6.022 5.396 -11.643 1.00 0.00 C ATOM 1306 CD GLU A 89 -6.973 4.389 -12.293 1.00 0.00 C ATOM 1307 OE1 GLU A 89 -8.096 4.244 -11.762 1.00 0.00 O ATOM 1308 OE2 GLU A 89 -6.557 3.786 -13.306 1.00 0.00 O ATOM 0 H GLU A 89 -3.440 5.813 -11.367 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.176 6.823 -9.532 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.916 3.951 -10.486 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.319 4.602 -9.660 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.543 6.339 -11.478 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.191 5.604 -12.317 1.00 0.00 H new ATOM 1315 N VAL A 90 -3.548 4.287 -8.175 1.00 0.00 N ATOM 1316 CA VAL A 90 -3.108 3.726 -6.909 1.00 0.00 C ATOM 1317 C VAL A 90 -2.459 4.826 -6.066 1.00 0.00 C ATOM 1318 O VAL A 90 -2.934 5.139 -4.976 1.00 0.00 O ATOM 1319 CB VAL A 90 -2.178 2.537 -7.158 1.00 0.00 C ATOM 1320 CG1 VAL A 90 -1.600 2.008 -5.844 1.00 0.00 C ATOM 1321 CG2 VAL A 90 -2.901 1.427 -7.926 1.00 0.00 C ATOM 0 H VAL A 90 -3.314 3.726 -8.994 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.959 3.344 -6.345 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.348 2.884 -7.773 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.943 1.163 -6.050 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.033 2.798 -5.352 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.412 1.685 -5.193 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.218 0.594 -8.090 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.759 1.084 -7.348 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -3.241 1.812 -8.887 1.00 0.00 H new ATOM 1331 N GLN A 91 -1.383 5.382 -6.605 1.00 0.00 N ATOM 1332 CA GLN A 91 -0.664 6.440 -5.915 1.00 0.00 C ATOM 1333 C GLN A 91 -1.648 7.419 -5.272 1.00 0.00 C ATOM 1334 O GLN A 91 -1.677 7.562 -4.051 1.00 0.00 O ATOM 1335 CB GLN A 91 0.288 7.166 -6.869 1.00 0.00 C ATOM 1336 CG GLN A 91 1.455 7.794 -6.104 1.00 0.00 C ATOM 1337 CD GLN A 91 2.136 8.880 -6.940 1.00 0.00 C ATOM 1338 OE1 GLN A 91 1.512 9.583 -7.718 1.00 0.00 O ATOM 1339 NE2 GLN A 91 3.446 8.980 -6.733 1.00 0.00 N ATOM 0 H GLN A 91 -0.992 5.120 -7.510 1.00 0.00 H new ATOM 0 HA GLN A 91 -0.063 5.990 -5.125 1.00 0.00 H new ATOM 0 HB2 GLN A 91 0.670 6.465 -7.611 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -0.255 7.940 -7.411 1.00 0.00 H new ATOM 0 HG2 GLN A 91 1.093 8.222 -5.169 1.00 0.00 H new ATOM 0 HG3 GLN A 91 2.180 7.023 -5.842 1.00 0.00 H new ATOM 0 HE21 GLN A 91 3.906 8.359 -6.067 1.00 0.00 H new ATOM 0 HE22 GLN A 91 3.991 9.677 -7.240 1.00 0.00 H new ATOM 1348 N SER A 92 -2.430 8.067 -6.123 1.00 0.00 N ATOM 1349 CA SER A 92 -3.413 9.028 -5.652 1.00 0.00 C ATOM 1350 C SER A 92 -4.093 8.505 -4.386 1.00 0.00 C ATOM 1351 O SER A 92 -4.162 9.207 -3.379 1.00 0.00 O ATOM 1352 CB SER A 92 -4.457 9.323 -6.732 1.00 0.00 C ATOM 1353 OG SER A 92 -5.174 10.525 -6.468 1.00 0.00 O ATOM 0 H SER A 92 -2.403 7.946 -7.135 1.00 0.00 H new ATOM 0 HA SER A 92 -2.896 9.959 -5.420 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.964 9.401 -7.701 1.00 0.00 H new ATOM 0 HB3 SER A 92 -5.157 8.490 -6.796 1.00 0.00 H new ATOM 0 HG SER A 92 -5.829 10.678 -7.181 1.00 0.00 H new ATOM 1359 N ILE A 93 -4.577 7.274 -4.478 1.00 0.00 N ATOM 1360 CA ILE A 93 -5.249 6.648 -3.352 1.00 0.00 C ATOM 1361 C ILE A 93 -4.327 6.683 -2.131 1.00 0.00 C ATOM 1362 O ILE A 93 -4.771 6.974 -1.022 1.00 0.00 O ATOM 1363 CB ILE A 93 -5.723 5.243 -3.725 1.00 0.00 C ATOM 1364 CG1 ILE A 93 -7.016 5.300 -4.543 1.00 0.00 C ATOM 1365 CG2 ILE A 93 -5.870 4.365 -2.481 1.00 0.00 C ATOM 1366 CD1 ILE A 93 -7.358 3.926 -5.123 1.00 0.00 C ATOM 0 H ILE A 93 -4.517 6.694 -5.315 1.00 0.00 H new ATOM 0 HA ILE A 93 -6.149 7.203 -3.088 1.00 0.00 H new ATOM 0 HB ILE A 93 -4.963 4.782 -4.356 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -7.835 5.647 -3.912 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -6.908 6.023 -5.351 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -6.208 3.371 -2.775 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -4.907 4.286 -1.976 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.599 4.811 -1.805 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -8.281 3.994 -5.700 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -6.548 3.593 -5.772 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -7.489 3.211 -4.311 1.00 0.00 H new ATOM 1378 N ILE A 94 -3.060 6.381 -2.377 1.00 0.00 N ATOM 1379 CA ILE A 94 -2.073 6.372 -1.311 1.00 0.00 C ATOM 1380 C ILE A 94 -1.719 7.814 -0.939 1.00 0.00 C ATOM 1381 O ILE A 94 -1.969 8.247 0.185 1.00 0.00 O ATOM 1382 CB ILE A 94 -0.862 5.525 -1.709 1.00 0.00 C ATOM 1383 CG1 ILE A 94 -1.259 4.440 -2.713 1.00 0.00 C ATOM 1384 CG2 ILE A 94 -0.173 4.940 -0.475 1.00 0.00 C ATOM 1385 CD1 ILE A 94 -0.374 3.202 -2.559 1.00 0.00 C ATOM 0 H ILE A 94 -2.695 6.141 -3.299 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.482 5.902 -0.417 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.139 6.173 -2.204 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.303 4.166 -2.564 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.173 4.829 -3.728 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.684 4.343 -0.786 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.165 5.750 0.172 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.876 4.310 0.070 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.677 2.446 -3.284 1.00 0.00 H new ATOM 0 HD12 ILE A 94 0.667 3.475 -2.732 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.481 2.801 -1.551 1.00 0.00 H new ATOM 1397 N SER A 95 -1.143 8.516 -1.903 1.00 0.00 N ATOM 1398 CA SER A 95 -0.753 9.899 -1.691 1.00 0.00 C ATOM 1399 C SER A 95 -1.953 10.712 -1.201 1.00 0.00 C ATOM 1400 O SER A 95 -2.989 10.148 -0.853 1.00 0.00 O ATOM 1401 CB SER A 95 -0.182 10.513 -2.971 1.00 0.00 C ATOM 1402 OG SER A 95 1.182 10.896 -2.817 1.00 0.00 O ATOM 0 H SER A 95 -0.937 8.153 -2.834 1.00 0.00 H new ATOM 0 HA SER A 95 0.028 9.921 -0.930 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.267 9.795 -3.787 1.00 0.00 H new ATOM 0 HB3 SER A 95 -0.774 11.385 -3.250 1.00 0.00 H new ATOM 0 HG SER A 95 1.510 11.282 -3.656 1.00 0.00 H new ATOM 1408 N GLN A 96 -1.773 12.025 -1.191 1.00 0.00 N ATOM 1409 CA GLN A 96 -2.827 12.921 -0.750 1.00 0.00 C ATOM 1410 C GLN A 96 -2.898 12.946 0.778 1.00 0.00 C ATOM 1411 O GLN A 96 -2.713 13.995 1.395 1.00 0.00 O ATOM 1412 CB GLN A 96 -4.175 12.523 -1.355 1.00 0.00 C ATOM 1413 CG GLN A 96 -4.912 13.744 -1.906 1.00 0.00 C ATOM 1414 CD GLN A 96 -5.231 14.742 -0.790 1.00 0.00 C ATOM 1415 OE1 GLN A 96 -5.824 14.410 0.223 1.00 0.00 O ATOM 1416 NE2 GLN A 96 -4.806 15.978 -1.032 1.00 0.00 N ATOM 0 H GLN A 96 -0.912 12.489 -1.481 1.00 0.00 H new ATOM 0 HA GLN A 96 -2.592 13.926 -1.100 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -4.019 11.797 -2.153 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -4.788 12.036 -0.597 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -4.302 14.228 -2.668 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -5.836 13.428 -2.391 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -4.315 16.188 -1.901 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -4.970 16.717 -0.348 1.00 0.00 H new ATOM 1425 N GLN A 97 -3.167 11.780 1.346 1.00 0.00 N ATOM 1426 CA GLN A 97 -3.264 11.654 2.790 1.00 0.00 C ATOM 1427 C GLN A 97 -1.882 11.801 3.430 1.00 0.00 C ATOM 1428 O GLN A 97 -0.876 11.409 2.840 1.00 0.00 O ATOM 1429 CB GLN A 97 -3.912 10.325 3.182 1.00 0.00 C ATOM 1430 CG GLN A 97 -3.296 9.163 2.401 1.00 0.00 C ATOM 1431 CD GLN A 97 -3.328 7.872 3.221 1.00 0.00 C ATOM 1432 OE1 GLN A 97 -4.467 7.193 3.116 1.00 0.00 O flip ATOM 1433 NE2 GLN A 97 -2.382 7.516 3.904 1.00 0.00 N flip ATOM 0 H GLN A 97 -3.321 10.913 0.831 1.00 0.00 H new ATOM 0 HA GLN A 97 -3.902 12.455 3.163 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -3.786 10.156 4.251 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -4.984 10.369 2.990 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -3.840 9.019 1.468 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -2.267 9.404 2.136 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -1.536 8.085 3.940 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -2.437 6.649 4.439 1.00 0.00 H new ATOM 1442 N SER A 98 -1.877 12.365 4.629 1.00 0.00 N ATOM 1443 CA SER A 98 -0.635 12.569 5.354 1.00 0.00 C ATOM 1444 C SER A 98 -0.829 12.216 6.830 1.00 0.00 C ATOM 1445 O SER A 98 -1.393 13.000 7.591 1.00 0.00 O ATOM 1446 CB SER A 98 -0.144 14.011 5.214 1.00 0.00 C ATOM 1447 OG SER A 98 1.267 14.078 5.021 1.00 0.00 O ATOM 0 H SER A 98 -2.713 12.687 5.116 1.00 0.00 H new ATOM 0 HA SER A 98 0.123 11.914 4.925 1.00 0.00 H new ATOM 0 HB2 SER A 98 -0.648 14.486 4.372 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.415 14.575 6.107 1.00 0.00 H new ATOM 0 HG SER A 98 1.541 15.015 4.934 1.00 0.00 H new ATOM 1453 N GLY A 99 -0.349 11.034 7.191 1.00 0.00 N ATOM 1454 CA GLY A 99 -0.462 10.568 8.563 1.00 0.00 C ATOM 1455 C GLY A 99 -0.611 9.045 8.613 1.00 0.00 C ATOM 1456 O GLY A 99 -0.335 8.358 7.631 1.00 0.00 O ATOM 0 H GLY A 99 0.119 10.386 6.557 1.00 0.00 H new ATOM 0 HA2 GLY A 99 0.420 10.870 9.127 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -1.322 11.037 9.041 1.00 0.00 H new ATOM 1460 N GLU A 100 -1.049 8.565 9.768 1.00 0.00 N ATOM 1461 CA GLU A 100 -1.238 7.136 9.959 1.00 0.00 C ATOM 1462 C GLU A 100 -2.050 6.549 8.803 1.00 0.00 C ATOM 1463 O GLU A 100 -2.849 7.249 8.182 1.00 0.00 O ATOM 1464 CB GLU A 100 -1.911 6.848 11.303 1.00 0.00 C ATOM 1465 CG GLU A 100 -1.676 5.399 11.733 1.00 0.00 C ATOM 1466 CD GLU A 100 -2.606 5.011 12.886 1.00 0.00 C ATOM 1467 OE1 GLU A 100 -2.362 5.514 14.005 1.00 0.00 O ATOM 1468 OE2 GLU A 100 -3.538 4.222 12.622 1.00 0.00 O ATOM 0 H GLU A 100 -1.278 9.139 10.580 1.00 0.00 H new ATOM 0 HA GLU A 100 -0.259 6.657 9.969 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -1.519 7.525 12.062 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -2.981 7.040 11.227 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -1.843 4.733 10.886 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -0.638 5.271 12.039 1.00 0.00 H new ATOM 1475 N ALA A 101 -1.817 5.269 8.549 1.00 0.00 N ATOM 1476 CA ALA A 101 -2.517 4.579 7.478 1.00 0.00 C ATOM 1477 C ALA A 101 -2.382 3.069 7.677 1.00 0.00 C ATOM 1478 O ALA A 101 -1.516 2.612 8.421 1.00 0.00 O ATOM 1479 CB ALA A 101 -1.965 5.041 6.127 1.00 0.00 C ATOM 0 H ALA A 101 -1.154 4.692 9.066 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.580 4.820 7.496 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.490 4.524 5.324 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.111 6.116 6.023 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -0.901 4.812 6.071 1.00 0.00 H new ATOM 1485 N GLU A 102 -3.253 2.336 7.000 1.00 0.00 N ATOM 1486 CA GLU A 102 -3.243 0.885 7.093 1.00 0.00 C ATOM 1487 C GLU A 102 -2.898 0.268 5.736 1.00 0.00 C ATOM 1488 O GLU A 102 -3.433 0.681 4.708 1.00 0.00 O ATOM 1489 CB GLU A 102 -4.584 0.360 7.609 1.00 0.00 C ATOM 1490 CG GLU A 102 -4.419 -0.323 8.968 1.00 0.00 C ATOM 1491 CD GLU A 102 -5.744 -0.349 9.732 1.00 0.00 C ATOM 1492 OE1 GLU A 102 -6.115 0.721 10.262 1.00 0.00 O ATOM 1493 OE2 GLU A 102 -6.355 -1.438 9.771 1.00 0.00 O ATOM 0 H GLU A 102 -3.971 2.719 6.385 1.00 0.00 H new ATOM 0 HA GLU A 102 -2.475 0.592 7.809 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.292 1.184 7.696 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -5.003 -0.346 6.892 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -4.057 -1.341 8.826 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -3.667 0.204 9.555 1.00 0.00 H new ATOM 1500 N ILE A 103 -2.006 -0.711 5.777 1.00 0.00 N ATOM 1501 CA ILE A 103 -1.583 -1.388 4.564 1.00 0.00 C ATOM 1502 C ILE A 103 -1.873 -2.885 4.693 1.00 0.00 C ATOM 1503 O ILE A 103 -1.557 -3.496 5.713 1.00 0.00 O ATOM 1504 CB ILE A 103 -0.118 -1.071 4.255 1.00 0.00 C ATOM 1505 CG1 ILE A 103 0.302 -1.671 2.912 1.00 0.00 C ATOM 1506 CG2 ILE A 103 0.794 -1.524 5.395 1.00 0.00 C ATOM 1507 CD1 ILE A 103 1.394 -0.828 2.252 1.00 0.00 C ATOM 0 H ILE A 103 -1.565 -1.051 6.631 1.00 0.00 H new ATOM 0 HA ILE A 103 -2.151 -1.024 3.708 1.00 0.00 H new ATOM 0 HB ILE A 103 -0.014 0.011 4.171 1.00 0.00 H new ATOM 0 HG12 ILE A 103 0.664 -2.688 3.061 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.563 -1.734 2.251 1.00 0.00 H new ATOM 0 HG21 ILE A 103 1.829 -1.287 5.149 1.00 0.00 H new ATOM 0 HG22 ILE A 103 0.512 -1.009 6.313 1.00 0.00 H new ATOM 0 HG23 ILE A 103 0.692 -2.600 5.537 1.00 0.00 H new ATOM 0 HD11 ILE A 103 1.674 -1.277 1.299 1.00 0.00 H new ATOM 0 HD12 ILE A 103 1.021 0.182 2.082 1.00 0.00 H new ATOM 0 HD13 ILE A 103 2.266 -0.787 2.904 1.00 0.00 H new ATOM 1519 N CYS A 104 -2.470 -3.433 3.645 1.00 0.00 N ATOM 1520 CA CYS A 104 -2.807 -4.846 3.629 1.00 0.00 C ATOM 1521 C CYS A 104 -1.970 -5.527 2.542 1.00 0.00 C ATOM 1522 O CYS A 104 -2.144 -5.251 1.357 1.00 0.00 O ATOM 1523 CB CYS A 104 -4.305 -5.069 3.417 1.00 0.00 C ATOM 1524 SG CYS A 104 -5.261 -4.111 4.650 1.00 0.00 S ATOM 0 H CYS A 104 -2.729 -2.923 2.800 1.00 0.00 H new ATOM 0 HA CYS A 104 -2.574 -5.288 4.598 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -4.587 -4.764 2.409 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -4.540 -6.130 3.507 1.00 0.00 H new ATOM 0 HG CYS A 104 -6.532 -4.306 4.460 1.00 0.00 H new ATOM 1530 N VAL A 105 -1.081 -6.401 2.988 1.00 0.00 N ATOM 1531 CA VAL A 105 -0.217 -7.123 2.068 1.00 0.00 C ATOM 1532 C VAL A 105 -0.436 -8.627 2.245 1.00 0.00 C ATOM 1533 O VAL A 105 -1.174 -9.051 3.132 1.00 0.00 O ATOM 1534 CB VAL A 105 1.240 -6.703 2.280 1.00 0.00 C ATOM 1535 CG1 VAL A 105 1.428 -5.213 1.985 1.00 0.00 C ATOM 1536 CG2 VAL A 105 1.709 -7.046 3.695 1.00 0.00 C ATOM 0 H VAL A 105 -0.940 -6.626 3.973 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.466 -6.876 1.036 1.00 0.00 H new ATOM 0 HB VAL A 105 1.857 -7.264 1.578 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.471 -4.940 2.143 1.00 0.00 H new ATOM 0 HG12 VAL A 105 1.152 -5.009 0.950 1.00 0.00 H new ATOM 0 HG13 VAL A 105 0.795 -4.627 2.651 1.00 0.00 H new ATOM 0 HG21 VAL A 105 2.747 -6.737 3.819 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.086 -6.524 4.421 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.629 -8.121 3.854 1.00 0.00 H new ATOM 1546 N ARG A 106 0.218 -9.392 1.382 1.00 0.00 N ATOM 1547 CA ARG A 106 0.104 -10.840 1.431 1.00 0.00 C ATOM 1548 C ARG A 106 1.445 -11.466 1.819 1.00 0.00 C ATOM 1549 O ARG A 106 2.451 -11.257 1.142 1.00 0.00 O ATOM 1550 CB ARG A 106 -0.342 -11.403 0.081 1.00 0.00 C ATOM 1551 CG ARG A 106 -0.633 -12.902 0.179 1.00 0.00 C ATOM 1552 CD ARG A 106 -0.943 -13.492 -1.197 1.00 0.00 C ATOM 1553 NE ARG A 106 -2.332 -13.167 -1.587 1.00 0.00 N ATOM 1554 CZ ARG A 106 -2.998 -13.778 -2.577 1.00 0.00 C ATOM 1555 NH1 ARG A 106 -2.405 -14.750 -3.282 1.00 0.00 N ATOM 1556 NH2 ARG A 106 -4.256 -13.417 -2.860 1.00 0.00 N ATOM 0 H ARG A 106 0.828 -9.036 0.646 1.00 0.00 H new ATOM 0 HA ARG A 106 -0.647 -11.088 2.181 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -1.234 -10.878 -0.259 1.00 0.00 H new ATOM 0 HB3 ARG A 106 0.434 -11.228 -0.664 1.00 0.00 H new ATOM 0 HG2 ARG A 106 0.225 -13.415 0.613 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -1.477 -13.069 0.849 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -0.247 -13.096 -1.937 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -0.806 -14.573 -1.177 1.00 0.00 H new ATOM 0 HE ARG A 106 -2.814 -12.431 -1.070 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -1.447 -15.025 -3.066 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -2.911 -15.215 -4.035 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -4.707 -12.677 -2.322 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -4.763 -13.882 -3.613 1.00 0.00 H new ATOM 1570 N LEU A 107 1.417 -12.221 2.908 1.00 0.00 N ATOM 1571 CA LEU A 107 2.617 -12.878 3.394 1.00 0.00 C ATOM 1572 C LEU A 107 3.246 -13.687 2.258 1.00 0.00 C ATOM 1573 O LEU A 107 4.351 -13.381 1.812 1.00 0.00 O ATOM 1574 CB LEU A 107 2.306 -13.708 4.641 1.00 0.00 C ATOM 1575 CG LEU A 107 1.395 -13.047 5.678 1.00 0.00 C ATOM 1576 CD1 LEU A 107 1.353 -13.864 6.970 1.00 0.00 C ATOM 1577 CD2 LEU A 107 1.814 -11.597 5.929 1.00 0.00 C ATOM 0 H LEU A 107 0.581 -12.392 3.467 1.00 0.00 H new ATOM 0 HA LEU A 107 3.355 -12.140 3.707 1.00 0.00 H new ATOM 0 HB2 LEU A 107 1.844 -14.643 4.325 1.00 0.00 H new ATOM 0 HB3 LEU A 107 3.248 -13.966 5.126 1.00 0.00 H new ATOM 0 HG LEU A 107 0.381 -13.025 5.279 1.00 0.00 H new ATOM 0 HD11 LEU A 107 0.699 -13.373 7.690 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.972 -14.863 6.757 1.00 0.00 H new ATOM 0 HD13 LEU A 107 2.358 -13.940 7.385 1.00 0.00 H new ATOM 0 HD21 LEU A 107 1.151 -11.150 6.670 1.00 0.00 H new ATOM 0 HD22 LEU A 107 2.839 -11.573 6.298 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.751 -11.034 4.998 1.00 0.00 H new ATOM 1589 N ASP A 108 2.516 -14.704 1.823 1.00 0.00 N ATOM 1590 CA ASP A 108 2.989 -15.558 0.748 1.00 0.00 C ATOM 1591 C ASP A 108 2.819 -14.831 -0.587 1.00 0.00 C ATOM 1592 O ASP A 108 1.841 -15.053 -1.300 1.00 0.00 O ATOM 1593 CB ASP A 108 2.185 -16.859 0.683 1.00 0.00 C ATOM 1594 CG ASP A 108 2.524 -17.771 -0.497 1.00 0.00 C ATOM 1595 OD1 ASP A 108 3.702 -17.743 -0.916 1.00 0.00 O ATOM 1596 OD2 ASP A 108 1.599 -18.476 -0.953 1.00 0.00 O ATOM 0 H ASP A 108 1.600 -14.955 2.196 1.00 0.00 H new ATOM 0 HA ASP A 108 4.037 -15.790 0.939 1.00 0.00 H new ATOM 0 HB2 ASP A 108 2.344 -17.413 1.608 1.00 0.00 H new ATOM 0 HB3 ASP A 108 1.125 -16.611 0.638 1.00 0.00 H new ATOM 1601 N LEU A 109 3.789 -13.978 -0.887 1.00 0.00 N ATOM 1602 CA LEU A 109 3.759 -13.218 -2.126 1.00 0.00 C ATOM 1603 C LEU A 109 5.126 -12.571 -2.355 1.00 0.00 C ATOM 1604 O LEU A 109 5.824 -12.231 -1.400 1.00 0.00 O ATOM 1605 CB LEU A 109 2.601 -12.218 -2.112 1.00 0.00 C ATOM 1606 CG LEU A 109 1.886 -12.000 -3.447 1.00 0.00 C ATOM 1607 CD1 LEU A 109 2.811 -11.320 -4.459 1.00 0.00 C ATOM 1608 CD2 LEU A 109 1.317 -13.315 -3.984 1.00 0.00 C ATOM 0 H LEU A 109 4.599 -13.797 -0.294 1.00 0.00 H new ATOM 0 HA LEU A 109 3.571 -13.877 -2.973 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.866 -12.553 -1.380 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.981 -11.257 -1.765 1.00 0.00 H new ATOM 0 HG LEU A 109 1.044 -11.329 -3.279 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.279 -11.177 -5.399 1.00 0.00 H new ATOM 0 HD12 LEU A 109 3.127 -10.352 -4.070 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.687 -11.946 -4.630 1.00 0.00 H new ATOM 0 HD21 LEU A 109 0.814 -13.133 -4.934 1.00 0.00 H new ATOM 0 HD22 LEU A 109 2.128 -14.028 -4.134 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.604 -13.722 -3.268 1.00 0.00 H new ATOM 1620 N ASN A 110 5.469 -12.423 -3.626 1.00 0.00 N ATOM 1621 CA ASN A 110 6.741 -11.823 -3.992 1.00 0.00 C ATOM 1622 C ASN A 110 6.634 -11.230 -5.398 1.00 0.00 C ATOM 1623 O ASN A 110 6.039 -11.837 -6.288 1.00 0.00 O ATOM 1624 CB ASN A 110 7.859 -12.868 -4.004 1.00 0.00 C ATOM 1625 CG ASN A 110 9.029 -12.429 -3.122 1.00 0.00 C ATOM 1626 OD1 ASN A 110 9.274 -12.970 -2.056 1.00 0.00 O ATOM 1627 ND2 ASN A 110 9.736 -11.420 -3.623 1.00 0.00 N ATOM 0 H ASN A 110 4.889 -12.708 -4.415 1.00 0.00 H new ATOM 0 HA ASN A 110 6.975 -11.052 -3.257 1.00 0.00 H new ATOM 0 HB2 ASN A 110 7.472 -13.824 -3.651 1.00 0.00 H new ATOM 0 HB3 ASN A 110 8.207 -13.022 -5.025 1.00 0.00 H new ATOM 0 HD21 ASN A 110 10.537 -11.054 -3.109 1.00 0.00 H new ATOM 0 HD22 ASN A 110 9.477 -11.012 -4.521 1.00 0.00 H new ATOM 1634 N MET A 111 7.219 -10.052 -5.555 1.00 0.00 N ATOM 1635 CA MET A 111 7.197 -9.369 -6.837 1.00 0.00 C ATOM 1636 C MET A 111 8.605 -8.949 -7.260 1.00 0.00 C ATOM 1637 O MET A 111 9.271 -8.196 -6.551 1.00 0.00 O ATOM 1638 CB MET A 111 6.301 -8.131 -6.742 1.00 0.00 C ATOM 1639 CG MET A 111 4.828 -8.506 -6.917 1.00 0.00 C ATOM 1640 SD MET A 111 4.313 -8.191 -8.597 1.00 0.00 S ATOM 1641 CE MET A 111 2.755 -7.374 -8.296 1.00 0.00 C ATOM 0 H MET A 111 7.712 -9.553 -4.815 1.00 0.00 H new ATOM 0 HA MET A 111 6.804 -10.056 -7.586 1.00 0.00 H new ATOM 0 HB2 MET A 111 6.445 -7.647 -5.776 1.00 0.00 H new ATOM 0 HB3 MET A 111 6.590 -7.409 -7.506 1.00 0.00 H new ATOM 0 HG2 MET A 111 4.681 -9.558 -6.674 1.00 0.00 H new ATOM 0 HG3 MET A 111 4.213 -7.930 -6.225 1.00 0.00 H new ATOM 0 HE1 MET A 111 2.092 -7.530 -9.147 1.00 0.00 H new ATOM 0 HE2 MET A 111 2.295 -7.787 -7.398 1.00 0.00 H new ATOM 0 HE3 MET A 111 2.925 -6.306 -8.159 1.00 0.00 H new