USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 667 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 60 LYS NZ :NH3+ 164:sc= 0.7 (180deg=0) USER MOD Set 1.2: A 62 HIS : no HD1:sc= -1 K(o=-0.3,f=-1.1) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -1.73! USER MOD Single : A 28 SER OG : rot 180:sc=0.000193 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -161:sc= -0.0551 (180deg=-0.845) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl 173:sc= -4.67 (180deg=-4.84!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 13:sc= -1.11! USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -2.59! C(o=-2.6!,f=-3.7!) USER MOD Single : A 82 ASN : amide:sc= -3.01 K(o=-3,f=-0.5) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -3.92! C(o=-3.9!,f=-6!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 142 N GLU A 10 -8.964 -0.889 -12.372 1.00 0.00 N ATOM 143 CA GLU A 10 -8.261 -2.162 -12.354 1.00 0.00 C ATOM 144 C GLU A 10 -9.228 -3.343 -12.331 1.00 0.00 C ATOM 145 O GLU A 10 -10.245 -3.319 -11.640 1.00 0.00 O ATOM 146 CB GLU A 10 -7.321 -2.221 -11.150 1.00 0.00 C ATOM 147 CG GLU A 10 -8.037 -2.105 -9.813 1.00 0.00 C ATOM 148 CD GLU A 10 -7.111 -1.675 -8.692 1.00 0.00 C ATOM 149 OE1 GLU A 10 -5.892 -1.927 -8.799 1.00 0.00 O ATOM 150 OE2 GLU A 10 -7.604 -1.081 -7.710 1.00 0.00 O ATOM 0 HA GLU A 10 -7.678 -2.235 -13.272 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.768 -3.160 -11.177 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.589 -1.418 -11.232 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.852 -1.386 -9.902 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.486 -3.066 -9.561 1.00 0.00 H new ATOM 157 N LYS A 11 -8.892 -4.376 -13.101 1.00 0.00 N ATOM 158 CA LYS A 11 -9.713 -5.579 -13.187 1.00 0.00 C ATOM 159 C LYS A 11 -9.761 -6.303 -11.840 1.00 0.00 C ATOM 160 O LYS A 11 -9.434 -5.724 -10.806 1.00 0.00 O ATOM 161 CB LYS A 11 -9.169 -6.506 -14.280 1.00 0.00 C ATOM 162 CG LYS A 11 -7.696 -6.850 -14.112 1.00 0.00 C ATOM 163 CD LYS A 11 -7.227 -7.823 -15.182 1.00 0.00 C ATOM 164 CE LYS A 11 -7.146 -7.156 -16.548 1.00 0.00 C ATOM 165 NZ LYS A 11 -6.867 -8.138 -17.635 1.00 0.00 N ATOM 0 H LYS A 11 -8.051 -4.402 -13.677 1.00 0.00 H new ATOM 0 HA LYS A 11 -10.731 -5.288 -13.447 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.750 -7.428 -14.285 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.314 -6.033 -15.251 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.100 -5.939 -14.161 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.533 -7.285 -13.126 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.248 -8.219 -14.911 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.911 -8.670 -15.230 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.084 -6.642 -16.756 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.363 -6.398 -16.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.820 -7.642 -18.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.959 -8.611 -17.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.627 -8.847 -17.665 1.00 0.00 H new ATOM 179 N ASP A 12 -10.178 -7.567 -11.854 1.00 0.00 N ATOM 180 CA ASP A 12 -10.271 -8.351 -10.627 1.00 0.00 C ATOM 181 C ASP A 12 -9.445 -9.634 -10.719 1.00 0.00 C ATOM 182 O ASP A 12 -9.743 -10.620 -10.046 1.00 0.00 O ATOM 183 CB ASP A 12 -11.735 -8.693 -10.331 1.00 0.00 C ATOM 184 CG ASP A 12 -12.178 -8.200 -8.967 1.00 0.00 C ATOM 185 OD1 ASP A 12 -11.542 -8.581 -7.962 1.00 0.00 O ATOM 186 OD2 ASP A 12 -13.166 -7.436 -8.904 1.00 0.00 O ATOM 0 H ASP A 12 -10.456 -8.068 -12.698 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.867 -7.748 -9.814 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -12.371 -8.252 -11.098 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -11.872 -9.773 -10.386 1.00 0.00 H new ATOM 191 N GLY A 13 -8.413 -9.623 -11.562 1.00 0.00 N ATOM 192 CA GLY A 13 -7.577 -10.800 -11.722 1.00 0.00 C ATOM 193 C GLY A 13 -6.198 -10.636 -11.107 1.00 0.00 C ATOM 194 O GLY A 13 -6.012 -9.846 -10.185 1.00 0.00 O ATOM 0 H GLY A 13 -8.143 -8.823 -12.134 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.073 -11.656 -11.265 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.471 -11.022 -12.784 1.00 0.00 H new ATOM 198 N ALA A 14 -5.233 -11.395 -11.622 1.00 0.00 N ATOM 199 CA ALA A 14 -3.863 -11.347 -11.122 1.00 0.00 C ATOM 200 C ALA A 14 -3.182 -10.028 -11.480 1.00 0.00 C ATOM 201 O ALA A 14 -3.818 -9.117 -12.005 1.00 0.00 O ATOM 202 CB ALA A 14 -3.068 -12.522 -11.674 1.00 0.00 C ATOM 0 H ALA A 14 -5.377 -12.053 -12.388 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.897 -11.415 -10.035 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.046 -12.479 -11.296 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.533 -13.456 -11.359 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.055 -12.473 -12.763 1.00 0.00 H new ATOM 208 N VAL A 15 -1.874 -9.958 -11.236 1.00 0.00 N ATOM 209 CA VAL A 15 -1.089 -8.777 -11.582 1.00 0.00 C ATOM 210 C VAL A 15 -1.005 -8.614 -13.095 1.00 0.00 C ATOM 211 O VAL A 15 -1.123 -9.590 -13.835 1.00 0.00 O ATOM 212 CB VAL A 15 0.335 -8.848 -11.004 1.00 0.00 C ATOM 213 CG1 VAL A 15 1.056 -10.087 -11.506 1.00 0.00 C ATOM 214 CG2 VAL A 15 1.124 -7.589 -11.338 1.00 0.00 C ATOM 0 H VAL A 15 -1.336 -10.707 -10.799 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.598 -7.917 -11.146 1.00 0.00 H new ATOM 0 HB VAL A 15 0.256 -8.915 -9.919 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.061 -10.118 -11.086 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.506 -10.977 -11.199 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.118 -10.056 -12.594 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.127 -7.666 -10.918 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.192 -7.479 -12.420 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.619 -6.720 -10.916 1.00 0.00 H new ATOM 224 N GLU A 16 -0.768 -7.392 -13.554 1.00 0.00 N ATOM 225 CA GLU A 16 -0.631 -7.127 -14.976 1.00 0.00 C ATOM 226 C GLU A 16 0.562 -6.204 -15.215 1.00 0.00 C ATOM 227 O GLU A 16 1.030 -5.539 -14.292 1.00 0.00 O ATOM 228 CB GLU A 16 -1.905 -6.494 -15.531 1.00 0.00 C ATOM 229 CG GLU A 16 -3.022 -7.494 -15.779 1.00 0.00 C ATOM 230 CD GLU A 16 -3.617 -8.026 -14.493 1.00 0.00 C ATOM 231 OE1 GLU A 16 -3.633 -7.277 -13.494 1.00 0.00 O ATOM 232 OE2 GLU A 16 -4.065 -9.192 -14.483 1.00 0.00 O ATOM 0 H GLU A 16 -0.667 -6.569 -12.960 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.465 -8.072 -15.494 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.257 -5.734 -14.833 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.670 -5.985 -16.466 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.806 -7.020 -16.370 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.637 -8.326 -16.369 1.00 0.00 H new ATOM 239 N ALA A 17 1.066 -6.207 -16.448 1.00 0.00 N ATOM 240 CA ALA A 17 2.240 -5.403 -16.825 1.00 0.00 C ATOM 241 C ALA A 17 2.467 -4.231 -15.861 1.00 0.00 C ATOM 242 O ALA A 17 3.388 -4.270 -15.044 1.00 0.00 O ATOM 243 CB ALA A 17 2.091 -4.889 -18.250 1.00 0.00 C ATOM 0 H ALA A 17 0.680 -6.761 -17.213 1.00 0.00 H new ATOM 0 HA ALA A 17 3.114 -6.052 -16.764 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.966 -4.296 -18.516 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.003 -5.733 -18.934 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.197 -4.269 -18.322 1.00 0.00 H new ATOM 249 N GLU A 18 1.646 -3.190 -15.962 1.00 0.00 N ATOM 250 CA GLU A 18 1.798 -2.021 -15.093 1.00 0.00 C ATOM 251 C GLU A 18 0.560 -1.823 -14.219 1.00 0.00 C ATOM 252 O GLU A 18 -0.223 -0.896 -14.429 1.00 0.00 O ATOM 253 CB GLU A 18 2.047 -0.769 -15.938 1.00 0.00 C ATOM 254 CG GLU A 18 3.371 -0.798 -16.687 1.00 0.00 C ATOM 255 CD GLU A 18 3.237 -0.350 -18.129 1.00 0.00 C ATOM 256 OE1 GLU A 18 2.259 -0.757 -18.790 1.00 0.00 O ATOM 257 OE2 GLU A 18 4.111 0.409 -18.597 1.00 0.00 O ATOM 0 H GLU A 18 0.876 -3.129 -16.628 1.00 0.00 H new ATOM 0 HA GLU A 18 2.654 -2.191 -14.440 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.235 -0.657 -16.656 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.024 0.108 -15.291 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.087 -0.154 -16.176 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.776 -1.809 -16.661 1.00 0.00 H new ATOM 264 N ASP A 19 0.379 -2.729 -13.256 1.00 0.00 N ATOM 265 CA ASP A 19 -0.781 -2.690 -12.362 1.00 0.00 C ATOM 266 C ASP A 19 -0.462 -2.076 -10.993 1.00 0.00 C ATOM 267 O ASP A 19 0.603 -1.493 -10.790 1.00 0.00 O ATOM 268 CB ASP A 19 -1.341 -4.113 -12.214 1.00 0.00 C ATOM 269 CG ASP A 19 -0.955 -4.814 -10.918 1.00 0.00 C ATOM 270 OD1 ASP A 19 0.155 -4.565 -10.410 1.00 0.00 O ATOM 271 OD2 ASP A 19 -1.771 -5.614 -10.414 1.00 0.00 O ATOM 0 H ASP A 19 1.022 -3.500 -13.075 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.531 -2.038 -12.809 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.428 -4.070 -12.279 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -0.995 -4.715 -13.054 1.00 0.00 H new ATOM 276 N ARG A 20 -1.404 -2.234 -10.054 1.00 0.00 N ATOM 277 CA ARG A 20 -1.252 -1.721 -8.692 1.00 0.00 C ATOM 278 C ARG A 20 -1.893 -2.689 -7.695 1.00 0.00 C ATOM 279 O ARG A 20 -3.111 -2.859 -7.677 1.00 0.00 O ATOM 280 CB ARG A 20 -1.903 -0.343 -8.548 1.00 0.00 C ATOM 281 CG ARG A 20 -0.975 0.744 -8.024 1.00 0.00 C ATOM 282 CD ARG A 20 -1.045 1.998 -8.887 1.00 0.00 C ATOM 283 NE ARG A 20 -1.308 3.208 -8.105 1.00 0.00 N ATOM 284 CZ ARG A 20 -0.504 3.678 -7.151 1.00 0.00 C ATOM 285 NH1 ARG A 20 0.590 3.015 -6.802 1.00 0.00 N ATOM 286 NH2 ARG A 20 -0.804 4.813 -6.535 1.00 0.00 N ATOM 0 H ARG A 20 -2.287 -2.718 -10.218 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.186 -1.628 -8.484 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.290 -0.035 -9.519 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.758 -0.428 -7.877 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.245 0.991 -6.997 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.049 0.371 -8.003 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.105 2.116 -9.426 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -1.829 1.876 -9.635 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.164 3.726 -8.304 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.823 2.136 -7.265 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.198 3.384 -6.071 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.648 5.325 -6.791 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.190 5.175 -5.805 1.00 0.00 H new ATOM 300 N VAL A 21 -1.069 -3.307 -6.859 1.00 0.00 N ATOM 301 CA VAL A 21 -1.553 -4.246 -5.845 1.00 0.00 C ATOM 302 C VAL A 21 -1.788 -3.554 -4.497 1.00 0.00 C ATOM 303 O VAL A 21 -1.346 -2.424 -4.284 1.00 0.00 O ATOM 304 CB VAL A 21 -0.559 -5.407 -5.639 1.00 0.00 C ATOM 305 CG1 VAL A 21 -0.370 -6.202 -6.925 1.00 0.00 C ATOM 306 CG2 VAL A 21 0.776 -4.883 -5.138 1.00 0.00 C ATOM 0 H VAL A 21 -0.057 -3.177 -6.860 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.501 -4.638 -6.214 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.975 -6.076 -4.886 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.336 -7.014 -6.750 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.328 -6.615 -7.241 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.017 -5.546 -7.705 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.465 -5.716 -4.998 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.191 -4.188 -5.868 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.632 -4.369 -4.188 1.00 0.00 H new ATOM 316 N THR A 22 -2.443 -4.262 -3.572 1.00 0.00 N ATOM 317 CA THR A 22 -2.682 -3.739 -2.231 1.00 0.00 C ATOM 318 C THR A 22 -1.955 -4.622 -1.225 1.00 0.00 C ATOM 319 O THR A 22 -2.290 -5.795 -1.067 1.00 0.00 O ATOM 320 CB THR A 22 -4.178 -3.702 -1.902 1.00 0.00 C ATOM 321 OG1 THR A 22 -4.859 -2.798 -2.752 1.00 0.00 O ATOM 322 CG2 THR A 22 -4.458 -3.292 -0.469 1.00 0.00 C ATOM 0 H THR A 22 -2.816 -5.198 -3.731 1.00 0.00 H new ATOM 0 HA THR A 22 -2.307 -2.717 -2.182 1.00 0.00 H new ATOM 0 HB THR A 22 -4.536 -4.721 -2.051 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.813 -2.791 -2.526 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.534 -3.284 -0.296 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.987 -4.001 0.211 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.055 -2.295 -0.290 1.00 0.00 H new ATOM 330 N ILE A 23 -0.931 -4.079 -0.580 1.00 0.00 N ATOM 331 CA ILE A 23 -0.144 -4.864 0.362 1.00 0.00 C ATOM 332 C ILE A 23 0.061 -4.171 1.713 1.00 0.00 C ATOM 333 O ILE A 23 0.115 -2.944 1.799 1.00 0.00 O ATOM 334 CB ILE A 23 1.244 -5.171 -0.230 1.00 0.00 C ATOM 335 CG1 ILE A 23 1.950 -3.880 -0.628 1.00 0.00 C ATOM 336 CG2 ILE A 23 1.130 -6.107 -1.423 1.00 0.00 C ATOM 337 CD1 ILE A 23 3.187 -3.619 0.192 1.00 0.00 C ATOM 0 H ILE A 23 -0.628 -3.111 -0.689 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.715 -5.777 0.534 1.00 0.00 H new ATOM 0 HB ILE A 23 1.838 -5.670 0.536 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.221 -3.929 -1.683 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.260 -3.043 -0.515 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.124 -6.309 -1.823 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.669 -7.043 -1.108 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.516 -5.641 -2.194 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.650 -2.687 -0.134 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.916 -3.541 1.245 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.892 -4.440 0.059 1.00 0.00 H new ATOM 349 N ASP A 24 0.228 -4.990 2.752 1.00 0.00 N ATOM 350 CA ASP A 24 0.494 -4.509 4.109 1.00 0.00 C ATOM 351 C ASP A 24 1.848 -5.066 4.547 1.00 0.00 C ATOM 352 O ASP A 24 2.098 -6.261 4.388 1.00 0.00 O ATOM 353 CB ASP A 24 -0.593 -4.978 5.086 1.00 0.00 C ATOM 354 CG ASP A 24 -0.880 -6.461 4.975 1.00 0.00 C ATOM 355 OD1 ASP A 24 -1.389 -6.891 3.920 1.00 0.00 O ATOM 356 OD2 ASP A 24 -0.599 -7.192 5.949 1.00 0.00 O ATOM 0 H ASP A 24 0.183 -6.006 2.677 1.00 0.00 H new ATOM 0 HA ASP A 24 0.498 -3.419 4.113 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.283 -4.748 6.105 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.510 -4.420 4.898 1.00 0.00 H new ATOM 361 N PHE A 25 2.740 -4.223 5.063 1.00 0.00 N ATOM 362 CA PHE A 25 4.061 -4.712 5.460 1.00 0.00 C ATOM 363 C PHE A 25 4.594 -4.062 6.728 1.00 0.00 C ATOM 364 O PHE A 25 4.134 -3.006 7.148 1.00 0.00 O ATOM 365 CB PHE A 25 5.060 -4.494 4.325 1.00 0.00 C ATOM 366 CG PHE A 25 5.382 -3.048 4.060 1.00 0.00 C ATOM 367 CD1 PHE A 25 6.173 -2.324 4.938 1.00 0.00 C ATOM 368 CD2 PHE A 25 4.883 -2.415 2.938 1.00 0.00 C ATOM 369 CE1 PHE A 25 6.455 -0.990 4.697 1.00 0.00 C ATOM 370 CE2 PHE A 25 5.159 -1.084 2.697 1.00 0.00 C ATOM 371 CZ PHE A 25 5.943 -0.371 3.575 1.00 0.00 C ATOM 0 H PHE A 25 2.582 -3.227 5.214 1.00 0.00 H new ATOM 0 HA PHE A 25 3.942 -5.774 5.672 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.983 -5.023 4.561 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.661 -4.939 3.414 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.573 -2.805 5.818 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.270 -2.968 2.241 1.00 0.00 H new ATOM 0 HE1 PHE A 25 7.075 -0.435 5.386 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.759 -0.601 1.818 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.157 0.671 3.386 1.00 0.00 H new ATOM 381 N THR A 26 5.583 -4.722 7.327 1.00 0.00 N ATOM 382 CA THR A 26 6.218 -4.240 8.549 1.00 0.00 C ATOM 383 C THR A 26 7.723 -4.507 8.507 1.00 0.00 C ATOM 384 O THR A 26 8.153 -5.660 8.486 1.00 0.00 O ATOM 385 CB THR A 26 5.600 -4.928 9.766 1.00 0.00 C ATOM 386 OG1 THR A 26 4.197 -4.740 9.792 1.00 0.00 O ATOM 387 CG2 THR A 26 6.157 -4.432 11.083 1.00 0.00 C ATOM 0 H THR A 26 5.965 -5.602 6.980 1.00 0.00 H new ATOM 0 HA THR A 26 6.055 -3.165 8.626 1.00 0.00 H new ATOM 0 HB THR A 26 5.853 -5.983 9.659 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.821 -5.189 10.578 1.00 0.00 H new ATOM 0 HG21 THR A 26 5.675 -4.962 11.905 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.231 -4.613 11.115 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.966 -3.363 11.179 1.00 0.00 H new ATOM 395 N GLY A 27 8.521 -3.439 8.484 1.00 0.00 N ATOM 396 CA GLY A 27 9.964 -3.601 8.433 1.00 0.00 C ATOM 397 C GLY A 27 10.735 -2.353 8.819 1.00 0.00 C ATOM 398 O GLY A 27 10.166 -1.269 8.947 1.00 0.00 O ATOM 0 H GLY A 27 8.196 -2.472 8.500 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.252 -4.415 9.098 1.00 0.00 H new ATOM 0 HA3 GLY A 27 10.251 -3.897 7.424 1.00 0.00 H new ATOM 402 N SER A 28 12.038 -2.528 9.022 1.00 0.00 N ATOM 403 CA SER A 28 12.928 -1.438 9.419 1.00 0.00 C ATOM 404 C SER A 28 13.895 -1.049 8.299 1.00 0.00 C ATOM 405 O SER A 28 13.992 -1.733 7.282 1.00 0.00 O ATOM 406 CB SER A 28 13.731 -1.866 10.650 1.00 0.00 C ATOM 407 OG SER A 28 13.386 -3.181 11.055 1.00 0.00 O ATOM 0 H SER A 28 12.507 -3.428 8.916 1.00 0.00 H new ATOM 0 HA SER A 28 12.310 -0.569 9.644 1.00 0.00 H new ATOM 0 HB2 SER A 28 14.797 -1.819 10.427 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.546 -1.170 11.468 1.00 0.00 H new ATOM 0 HG SER A 28 13.914 -3.430 11.842 1.00 0.00 H new ATOM 413 N VAL A 29 14.630 0.046 8.521 1.00 0.00 N ATOM 414 CA VAL A 29 15.615 0.524 7.557 1.00 0.00 C ATOM 415 C VAL A 29 17.039 0.361 8.102 1.00 0.00 C ATOM 416 O VAL A 29 17.775 -0.520 7.659 1.00 0.00 O ATOM 417 CB VAL A 29 15.344 1.994 7.125 1.00 0.00 C ATOM 418 CG1 VAL A 29 15.106 2.910 8.319 1.00 0.00 C ATOM 419 CG2 VAL A 29 16.473 2.533 6.249 1.00 0.00 C ATOM 0 H VAL A 29 14.558 0.616 9.364 1.00 0.00 H new ATOM 0 HA VAL A 29 15.519 -0.094 6.664 1.00 0.00 H new ATOM 0 HB VAL A 29 14.428 1.983 6.535 1.00 0.00 H new ATOM 0 HG11 VAL A 29 14.921 3.925 7.968 1.00 0.00 H new ATOM 0 HG12 VAL A 29 14.241 2.558 8.881 1.00 0.00 H new ATOM 0 HG13 VAL A 29 15.985 2.903 8.964 1.00 0.00 H new ATOM 0 HG21 VAL A 29 16.253 3.562 5.964 1.00 0.00 H new ATOM 0 HG22 VAL A 29 17.410 2.503 6.804 1.00 0.00 H new ATOM 0 HG23 VAL A 29 16.562 1.920 5.352 1.00 0.00 H new ATOM 429 N ASP A 30 17.424 1.191 9.068 1.00 0.00 N ATOM 430 CA ASP A 30 18.751 1.099 9.661 1.00 0.00 C ATOM 431 C ASP A 30 18.701 0.273 10.942 1.00 0.00 C ATOM 432 O ASP A 30 19.375 0.586 11.924 1.00 0.00 O ATOM 433 CB ASP A 30 19.309 2.493 9.953 1.00 0.00 C ATOM 434 CG ASP A 30 20.825 2.515 9.980 1.00 0.00 C ATOM 435 OD1 ASP A 30 21.436 2.690 8.903 1.00 0.00 O ATOM 436 OD2 ASP A 30 21.401 2.359 11.076 1.00 0.00 O ATOM 0 H ASP A 30 16.837 1.931 9.454 1.00 0.00 H new ATOM 0 HA ASP A 30 19.412 0.605 8.949 1.00 0.00 H new ATOM 0 HB2 ASP A 30 18.952 3.190 9.195 1.00 0.00 H new ATOM 0 HB3 ASP A 30 18.926 2.841 10.912 1.00 0.00 H new ATOM 441 N GLY A 31 17.885 -0.775 10.926 1.00 0.00 N ATOM 442 CA GLY A 31 17.743 -1.625 12.094 1.00 0.00 C ATOM 443 C GLY A 31 16.538 -1.245 12.937 1.00 0.00 C ATOM 444 O GLY A 31 16.142 -1.987 13.836 1.00 0.00 O ATOM 0 H GLY A 31 17.319 -1.052 10.124 1.00 0.00 H new ATOM 0 HA2 GLY A 31 17.649 -2.663 11.776 1.00 0.00 H new ATOM 0 HA3 GLY A 31 18.645 -1.558 12.702 1.00 0.00 H new ATOM 448 N GLU A 32 15.953 -0.084 12.643 1.00 0.00 N ATOM 449 CA GLU A 32 14.785 0.395 13.372 1.00 0.00 C ATOM 450 C GLU A 32 13.737 0.933 12.402 1.00 0.00 C ATOM 451 O GLU A 32 14.030 1.794 11.572 1.00 0.00 O ATOM 452 CB GLU A 32 15.192 1.485 14.367 1.00 0.00 C ATOM 453 CG GLU A 32 16.258 1.036 15.355 1.00 0.00 C ATOM 454 CD GLU A 32 16.860 2.194 16.127 1.00 0.00 C ATOM 455 OE1 GLU A 32 17.606 2.991 15.519 1.00 0.00 O ATOM 456 OE2 GLU A 32 16.587 2.303 17.341 1.00 0.00 O ATOM 0 H GLU A 32 16.272 0.541 11.903 1.00 0.00 H new ATOM 0 HA GLU A 32 14.353 -0.440 13.923 1.00 0.00 H new ATOM 0 HB2 GLU A 32 15.560 2.350 13.816 1.00 0.00 H new ATOM 0 HB3 GLU A 32 14.310 1.810 14.919 1.00 0.00 H new ATOM 0 HG2 GLU A 32 15.822 0.324 16.056 1.00 0.00 H new ATOM 0 HG3 GLU A 32 17.048 0.512 14.818 1.00 0.00 H new ATOM 463 N GLU A 33 12.516 0.411 12.501 1.00 0.00 N ATOM 464 CA GLU A 33 11.435 0.825 11.626 1.00 0.00 C ATOM 465 C GLU A 33 11.209 2.316 11.727 1.00 0.00 C ATOM 466 O GLU A 33 10.939 2.852 12.802 1.00 0.00 O ATOM 467 CB GLU A 33 10.148 0.067 11.956 1.00 0.00 C ATOM 468 CG GLU A 33 9.854 -0.026 13.443 1.00 0.00 C ATOM 469 CD GLU A 33 8.376 -0.207 13.729 1.00 0.00 C ATOM 470 OE1 GLU A 33 7.665 -0.753 12.858 1.00 0.00 O ATOM 471 OE2 GLU A 33 7.928 0.199 14.823 1.00 0.00 O ATOM 0 H GLU A 33 12.256 -0.302 13.183 1.00 0.00 H new ATOM 0 HA GLU A 33 11.720 0.587 10.601 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.311 0.558 11.460 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.215 -0.940 11.545 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.409 -0.862 13.869 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.209 0.878 13.938 1.00 0.00 H new ATOM 478 N PHE A 34 11.356 2.983 10.596 1.00 0.00 N ATOM 479 CA PHE A 34 11.210 4.430 10.508 1.00 0.00 C ATOM 480 C PHE A 34 9.748 4.840 10.381 1.00 0.00 C ATOM 481 O PHE A 34 8.878 4.291 11.059 1.00 0.00 O ATOM 482 CB PHE A 34 12.052 4.946 9.315 1.00 0.00 C ATOM 483 CG PHE A 34 11.666 4.373 7.964 1.00 0.00 C ATOM 484 CD1 PHE A 34 11.958 3.055 7.633 1.00 0.00 C ATOM 485 CD2 PHE A 34 11.016 5.160 7.019 1.00 0.00 C ATOM 486 CE1 PHE A 34 11.606 2.536 6.401 1.00 0.00 C ATOM 487 CE2 PHE A 34 10.664 4.642 5.784 1.00 0.00 C ATOM 488 CZ PHE A 34 10.959 3.330 5.477 1.00 0.00 C ATOM 0 H PHE A 34 11.581 2.536 9.707 1.00 0.00 H new ATOM 0 HA PHE A 34 11.576 4.884 11.429 1.00 0.00 H new ATOM 0 HB2 PHE A 34 11.965 6.032 9.271 1.00 0.00 H new ATOM 0 HB3 PHE A 34 13.101 4.717 9.504 1.00 0.00 H new ATOM 0 HD1 PHE A 34 12.467 2.427 8.349 1.00 0.00 H new ATOM 0 HD2 PHE A 34 10.783 6.189 7.252 1.00 0.00 H new ATOM 0 HE1 PHE A 34 11.838 1.509 6.162 1.00 0.00 H new ATOM 0 HE2 PHE A 34 10.159 5.265 5.061 1.00 0.00 H new ATOM 0 HZ PHE A 34 10.684 2.925 4.514 1.00 0.00 H new ATOM 498 N GLU A 35 9.480 5.776 9.496 1.00 0.00 N ATOM 499 CA GLU A 35 8.121 6.241 9.246 1.00 0.00 C ATOM 500 C GLU A 35 7.318 5.163 8.531 1.00 0.00 C ATOM 501 O GLU A 35 6.297 4.692 9.030 1.00 0.00 O ATOM 502 CB GLU A 35 8.144 7.519 8.405 1.00 0.00 C ATOM 503 CG GLU A 35 8.830 8.690 9.089 1.00 0.00 C ATOM 504 CD GLU A 35 8.011 9.259 10.231 1.00 0.00 C ATOM 505 OE1 GLU A 35 7.150 10.125 9.970 1.00 0.00 O ATOM 506 OE2 GLU A 35 8.230 8.838 11.386 1.00 0.00 O ATOM 0 H GLU A 35 10.191 6.238 8.929 1.00 0.00 H new ATOM 0 HA GLU A 35 7.647 6.457 10.203 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.651 7.313 7.462 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.120 7.801 8.162 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.800 8.367 9.468 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.019 9.474 8.356 1.00 0.00 H new ATOM 513 N GLY A 36 7.798 4.780 7.350 1.00 0.00 N ATOM 514 CA GLY A 36 7.132 3.763 6.562 1.00 0.00 C ATOM 515 C GLY A 36 7.546 2.357 6.938 1.00 0.00 C ATOM 516 O GLY A 36 7.434 1.445 6.124 1.00 0.00 O ATOM 0 H GLY A 36 8.643 5.161 6.925 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.054 3.864 6.686 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.348 3.929 5.507 1.00 0.00 H new ATOM 520 N GLY A 37 8.014 2.168 8.170 1.00 0.00 N ATOM 521 CA GLY A 37 8.411 0.844 8.594 1.00 0.00 C ATOM 522 C GLY A 37 7.277 -0.145 8.435 1.00 0.00 C ATOM 523 O GLY A 37 7.472 -1.245 7.925 1.00 0.00 O ATOM 0 H GLY A 37 8.123 2.901 8.871 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.269 0.514 8.009 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.728 0.873 9.636 1.00 0.00 H new ATOM 527 N LYS A 38 6.084 0.248 8.871 1.00 0.00 N ATOM 528 CA LYS A 38 4.917 -0.617 8.775 1.00 0.00 C ATOM 529 C LYS A 38 3.804 0.045 7.964 1.00 0.00 C ATOM 530 O LYS A 38 3.576 1.251 8.061 1.00 0.00 O ATOM 531 CB LYS A 38 4.404 -0.961 10.180 1.00 0.00 C ATOM 532 CG LYS A 38 3.112 -1.764 10.186 1.00 0.00 C ATOM 533 CD LYS A 38 2.360 -1.598 11.497 1.00 0.00 C ATOM 534 CE LYS A 38 1.554 -0.310 11.515 1.00 0.00 C ATOM 535 NZ LYS A 38 0.144 -0.532 11.092 1.00 0.00 N ATOM 0 H LYS A 38 5.902 1.158 9.293 1.00 0.00 H new ATOM 0 HA LYS A 38 5.214 -1.532 8.262 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.173 -1.525 10.709 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.248 -0.036 10.735 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.479 -1.443 9.359 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.337 -2.818 10.025 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.694 -2.448 11.646 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.067 -1.598 12.326 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.569 0.114 12.519 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.021 0.420 10.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.372 0.370 11.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.128 -0.913 10.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.310 -1.209 11.738 1.00 0.00 H new ATOM 549 N ALA A 39 3.119 -0.769 7.168 1.00 0.00 N ATOM 550 CA ALA A 39 2.023 -0.300 6.329 1.00 0.00 C ATOM 551 C ALA A 39 0.924 -1.351 6.266 1.00 0.00 C ATOM 552 O ALA A 39 1.181 -2.541 6.455 1.00 0.00 O ATOM 553 CB ALA A 39 2.523 0.027 4.929 1.00 0.00 C ATOM 0 H ALA A 39 3.307 -1.768 7.086 1.00 0.00 H new ATOM 0 HA ALA A 39 1.614 0.610 6.769 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.691 0.375 4.318 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.282 0.807 4.987 1.00 0.00 H new ATOM 0 HB3 ALA A 39 2.955 -0.867 4.479 1.00 0.00 H new ATOM 559 N SER A 40 -0.300 -0.915 6.003 1.00 0.00 N ATOM 560 CA SER A 40 -1.427 -1.832 5.924 1.00 0.00 C ATOM 561 C SER A 40 -2.044 -1.837 4.531 1.00 0.00 C ATOM 562 O SER A 40 -2.085 -2.867 3.862 1.00 0.00 O ATOM 563 CB SER A 40 -2.492 -1.460 6.958 1.00 0.00 C ATOM 564 OG SER A 40 -3.193 -2.606 7.404 1.00 0.00 O ATOM 0 H SER A 40 -0.537 0.064 5.841 1.00 0.00 H new ATOM 0 HA SER A 40 -1.051 -2.833 6.136 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.021 -0.965 7.807 1.00 0.00 H new ATOM 0 HB3 SER A 40 -3.193 -0.748 6.522 1.00 0.00 H new ATOM 0 HG SER A 40 -3.866 -2.341 8.065 1.00 0.00 H new ATOM 570 N ASP A 41 -2.476 -0.674 4.076 1.00 0.00 N ATOM 571 CA ASP A 41 -3.035 -0.523 2.749 1.00 0.00 C ATOM 572 C ASP A 41 -2.008 0.130 1.842 1.00 0.00 C ATOM 573 O ASP A 41 -2.168 1.288 1.454 1.00 0.00 O ATOM 574 CB ASP A 41 -4.313 0.315 2.790 1.00 0.00 C ATOM 575 CG ASP A 41 -5.396 -0.321 3.638 1.00 0.00 C ATOM 576 OD1 ASP A 41 -5.406 -1.564 3.753 1.00 0.00 O ATOM 577 OD2 ASP A 41 -6.233 0.424 4.186 1.00 0.00 O ATOM 0 H ASP A 41 -2.448 0.190 4.617 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.291 -1.508 2.359 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.082 1.305 3.183 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.685 0.454 1.775 1.00 0.00 H new ATOM 582 N PHE A 42 -0.960 -0.593 1.496 1.00 0.00 N ATOM 583 CA PHE A 42 0.064 -0.032 0.620 1.00 0.00 C ATOM 584 C PHE A 42 -0.242 -0.362 -0.832 1.00 0.00 C ATOM 585 O PHE A 42 -0.080 -1.501 -1.266 1.00 0.00 O ATOM 586 CB PHE A 42 1.466 -0.534 0.985 1.00 0.00 C ATOM 587 CG PHE A 42 2.571 0.210 0.273 1.00 0.00 C ATOM 588 CD1 PHE A 42 2.435 1.558 -0.028 1.00 0.00 C ATOM 589 CD2 PHE A 42 3.744 -0.434 -0.101 1.00 0.00 C ATOM 590 CE1 PHE A 42 3.439 2.247 -0.681 1.00 0.00 C ATOM 591 CE2 PHE A 42 4.752 0.251 -0.754 1.00 0.00 C ATOM 592 CZ PHE A 42 4.598 1.591 -1.045 1.00 0.00 C ATOM 0 H PHE A 42 -0.792 -1.552 1.798 1.00 0.00 H new ATOM 0 HA PHE A 42 0.051 1.049 0.756 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.609 -0.440 2.061 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.538 -1.595 0.745 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.530 2.077 0.253 1.00 0.00 H new ATOM 0 HD2 PHE A 42 3.870 -1.483 0.121 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.317 3.296 -0.906 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.659 -0.262 -1.036 1.00 0.00 H new ATOM 0 HZ PHE A 42 5.384 2.126 -1.557 1.00 0.00 H new ATOM 602 N VAL A 43 -0.677 0.641 -1.582 1.00 0.00 N ATOM 603 CA VAL A 43 -0.994 0.457 -2.981 1.00 0.00 C ATOM 604 C VAL A 43 0.274 0.496 -3.830 1.00 0.00 C ATOM 605 O VAL A 43 0.788 1.559 -4.165 1.00 0.00 O ATOM 606 CB VAL A 43 -1.992 1.532 -3.449 1.00 0.00 C ATOM 607 CG1 VAL A 43 -1.401 2.931 -3.332 1.00 0.00 C ATOM 608 CG2 VAL A 43 -2.467 1.251 -4.868 1.00 0.00 C ATOM 0 H VAL A 43 -0.817 1.591 -1.239 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.456 -0.522 -3.104 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.859 1.489 -2.789 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.133 3.665 -3.671 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.142 3.131 -2.292 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.505 3.000 -3.949 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.171 2.024 -5.176 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.612 1.249 -5.544 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.958 0.279 -4.901 1.00 0.00 H new ATOM 618 N LEU A 44 0.786 -0.682 -4.153 1.00 0.00 N ATOM 619 CA LEU A 44 2.003 -0.788 -4.941 1.00 0.00 C ATOM 620 C LEU A 44 1.682 -0.813 -6.425 1.00 0.00 C ATOM 621 O LEU A 44 0.701 -1.419 -6.842 1.00 0.00 O ATOM 622 CB LEU A 44 2.780 -2.047 -4.552 1.00 0.00 C ATOM 623 CG LEU A 44 4.252 -1.819 -4.214 1.00 0.00 C ATOM 624 CD1 LEU A 44 4.971 -3.145 -4.049 1.00 0.00 C ATOM 625 CD2 LEU A 44 4.927 -0.979 -5.288 1.00 0.00 C ATOM 0 H LEU A 44 0.378 -1.577 -3.882 1.00 0.00 H new ATOM 0 HA LEU A 44 2.620 0.087 -4.735 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.292 -2.505 -3.692 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.718 -2.762 -5.372 1.00 0.00 H new ATOM 0 HG LEU A 44 4.305 -1.276 -3.270 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.019 -2.963 -3.808 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.507 -3.713 -3.243 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.905 -3.713 -4.977 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.975 -0.829 -5.027 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.862 -1.493 -6.247 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.429 -0.012 -5.360 1.00 0.00 H new ATOM 637 N ALA A 45 2.520 -0.148 -7.210 1.00 0.00 N ATOM 638 CA ALA A 45 2.337 -0.086 -8.655 1.00 0.00 C ATOM 639 C ALA A 45 3.349 -0.973 -9.371 1.00 0.00 C ATOM 640 O ALA A 45 4.525 -0.623 -9.473 1.00 0.00 O ATOM 641 CB ALA A 45 2.480 1.347 -9.141 1.00 0.00 C ATOM 0 H ALA A 45 3.337 0.358 -6.868 1.00 0.00 H new ATOM 0 HA ALA A 45 1.334 -0.447 -8.884 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.341 1.380 -10.222 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.728 1.971 -8.659 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.474 1.718 -8.891 1.00 0.00 H new ATOM 647 N MET A 46 2.898 -2.117 -9.871 1.00 0.00 N ATOM 648 CA MET A 46 3.786 -3.030 -10.577 1.00 0.00 C ATOM 649 C MET A 46 4.193 -2.455 -11.924 1.00 0.00 C ATOM 650 O MET A 46 3.612 -2.794 -12.954 1.00 0.00 O ATOM 651 CB MET A 46 3.130 -4.392 -10.769 1.00 0.00 C ATOM 652 CG MET A 46 3.454 -5.382 -9.664 1.00 0.00 C ATOM 653 SD MET A 46 5.227 -5.655 -9.467 1.00 0.00 S ATOM 654 CE MET A 46 5.641 -6.366 -11.058 1.00 0.00 C ATOM 0 H MET A 46 1.930 -2.432 -9.801 1.00 0.00 H new ATOM 0 HA MET A 46 4.680 -3.159 -9.967 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.049 -4.261 -10.823 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.449 -4.809 -11.724 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.040 -5.018 -8.724 1.00 0.00 H new ATOM 0 HG3 MET A 46 2.966 -6.333 -9.880 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.593 -6.891 -10.985 1.00 0.00 H new ATOM 0 HE2 MET A 46 4.862 -7.067 -11.357 1.00 0.00 H new ATOM 0 HE3 MET A 46 5.720 -5.573 -11.801 1.00 0.00 H new ATOM 664 N GLY A 47 5.199 -1.589 -11.893 1.00 0.00 N ATOM 665 CA GLY A 47 5.692 -0.968 -13.109 1.00 0.00 C ATOM 666 C GLY A 47 5.248 0.472 -13.255 1.00 0.00 C ATOM 667 O GLY A 47 4.632 0.842 -14.254 1.00 0.00 O ATOM 0 H GLY A 47 5.685 -1.304 -11.043 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.781 -1.010 -13.117 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.345 -1.539 -13.970 1.00 0.00 H new ATOM 671 N GLN A 48 5.569 1.291 -12.260 1.00 0.00 N ATOM 672 CA GLN A 48 5.207 2.702 -12.285 1.00 0.00 C ATOM 673 C GLN A 48 6.450 3.564 -12.462 1.00 0.00 C ATOM 674 O GLN A 48 6.687 4.120 -13.534 1.00 0.00 O ATOM 675 CB GLN A 48 4.481 3.091 -10.996 1.00 0.00 C ATOM 676 CG GLN A 48 3.065 3.595 -11.226 1.00 0.00 C ATOM 677 CD GLN A 48 3.030 5.024 -11.730 1.00 0.00 C ATOM 678 OE1 GLN A 48 3.193 5.971 -10.958 1.00 0.00 O ATOM 679 NE2 GLN A 48 2.818 5.190 -13.030 1.00 0.00 N ATOM 0 H GLN A 48 6.079 1.001 -11.426 1.00 0.00 H new ATOM 0 HA GLN A 48 4.538 2.870 -13.129 1.00 0.00 H new ATOM 0 HB2 GLN A 48 4.447 2.227 -10.332 1.00 0.00 H new ATOM 0 HB3 GLN A 48 5.055 3.864 -10.484 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.565 2.947 -11.946 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.504 3.528 -10.294 1.00 0.00 H new ATOM 0 HE21 GLN A 48 2.688 4.378 -13.633 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.785 6.130 -13.425 1.00 0.00 H new ATOM 688 N GLY A 49 7.243 3.664 -11.402 1.00 0.00 N ATOM 689 CA GLY A 49 8.456 4.452 -11.455 1.00 0.00 C ATOM 690 C GLY A 49 9.691 3.600 -11.667 1.00 0.00 C ATOM 691 O GLY A 49 10.509 3.891 -12.539 1.00 0.00 O ATOM 0 H GLY A 49 7.066 3.212 -10.505 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.378 5.180 -12.262 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.561 5.015 -10.527 1.00 0.00 H new ATOM 695 N ARG A 50 9.829 2.545 -10.865 1.00 0.00 N ATOM 696 CA ARG A 50 10.979 1.651 -10.968 1.00 0.00 C ATOM 697 C ARG A 50 10.907 0.543 -9.920 1.00 0.00 C ATOM 698 O ARG A 50 11.739 0.476 -9.016 1.00 0.00 O ATOM 699 CB ARG A 50 12.277 2.438 -10.788 1.00 0.00 C ATOM 700 CG ARG A 50 12.391 3.100 -9.424 1.00 0.00 C ATOM 701 CD ARG A 50 13.799 2.983 -8.857 1.00 0.00 C ATOM 702 NE ARG A 50 14.822 3.139 -9.887 1.00 0.00 N ATOM 703 CZ ARG A 50 14.995 4.250 -10.601 1.00 0.00 C ATOM 704 NH1 ARG A 50 14.233 5.315 -10.380 1.00 0.00 N ATOM 705 NH2 ARG A 50 15.938 4.299 -11.530 1.00 0.00 N ATOM 0 H ARG A 50 9.160 2.290 -10.139 1.00 0.00 H new ATOM 0 HA ARG A 50 10.963 1.196 -11.959 1.00 0.00 H new ATOM 0 HB2 ARG A 50 13.124 1.767 -10.931 1.00 0.00 H new ATOM 0 HB3 ARG A 50 12.341 3.202 -11.562 1.00 0.00 H new ATOM 0 HG2 ARG A 50 12.118 4.152 -9.506 1.00 0.00 H new ATOM 0 HG3 ARG A 50 11.682 2.640 -8.736 1.00 0.00 H new ATOM 0 HD2 ARG A 50 13.943 3.740 -8.087 1.00 0.00 H new ATOM 0 HD3 ARG A 50 13.916 2.012 -8.375 1.00 0.00 H new ATOM 0 HE ARG A 50 15.441 2.350 -10.071 1.00 0.00 H new ATOM 0 HH11 ARG A 50 13.511 5.285 -9.660 1.00 0.00 H new ATOM 0 HH12 ARG A 50 14.370 6.163 -10.930 1.00 0.00 H new ATOM 0 HH21 ARG A 50 16.531 3.486 -11.698 1.00 0.00 H new ATOM 0 HH22 ARG A 50 16.071 5.149 -12.077 1.00 0.00 H new ATOM 719 N MET A 51 9.910 -0.327 -10.043 1.00 0.00 N ATOM 720 CA MET A 51 9.740 -1.427 -9.099 1.00 0.00 C ATOM 721 C MET A 51 11.060 -2.158 -8.865 1.00 0.00 C ATOM 722 O MET A 51 11.551 -2.872 -9.738 1.00 0.00 O ATOM 723 CB MET A 51 8.681 -2.408 -9.604 1.00 0.00 C ATOM 724 CG MET A 51 8.029 -3.217 -8.496 1.00 0.00 C ATOM 725 SD MET A 51 6.391 -2.604 -8.057 1.00 0.00 S ATOM 726 CE MET A 51 6.742 -0.873 -7.757 1.00 0.00 C ATOM 0 H MET A 51 9.210 -0.293 -10.784 1.00 0.00 H new ATOM 0 HA MET A 51 9.408 -1.005 -8.150 1.00 0.00 H new ATOM 0 HB2 MET A 51 7.911 -1.854 -10.141 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.140 -3.090 -10.319 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.951 -4.258 -8.810 1.00 0.00 H new ATOM 0 HG3 MET A 51 8.668 -3.197 -7.613 1.00 0.00 H new ATOM 0 HE1 MET A 51 5.808 -0.335 -7.597 1.00 0.00 H new ATOM 0 HE2 MET A 51 7.372 -0.777 -6.873 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.260 -0.452 -8.619 1.00 0.00 H new ATOM 736 N ILE A 52 11.623 -1.980 -7.674 1.00 0.00 N ATOM 737 CA ILE A 52 12.882 -2.628 -7.315 1.00 0.00 C ATOM 738 C ILE A 52 12.698 -4.138 -7.216 1.00 0.00 C ATOM 739 O ILE A 52 11.572 -4.625 -7.104 1.00 0.00 O ATOM 740 CB ILE A 52 13.459 -2.102 -5.975 1.00 0.00 C ATOM 741 CG1 ILE A 52 12.345 -1.619 -5.039 1.00 0.00 C ATOM 742 CG2 ILE A 52 14.459 -0.984 -6.231 1.00 0.00 C ATOM 743 CD1 ILE A 52 12.825 -1.287 -3.643 1.00 0.00 C ATOM 0 H ILE A 52 11.228 -1.392 -6.940 1.00 0.00 H new ATOM 0 HA ILE A 52 13.590 -2.387 -8.108 1.00 0.00 H new ATOM 0 HB ILE A 52 13.973 -2.929 -5.484 1.00 0.00 H new ATOM 0 HG12 ILE A 52 11.876 -0.735 -5.472 1.00 0.00 H new ATOM 0 HG13 ILE A 52 11.576 -2.389 -4.976 1.00 0.00 H new ATOM 0 HG21 ILE A 52 14.855 -0.625 -5.281 1.00 0.00 H new ATOM 0 HG22 ILE A 52 15.276 -1.361 -6.846 1.00 0.00 H new ATOM 0 HG23 ILE A 52 13.963 -0.164 -6.750 1.00 0.00 H new ATOM 0 HD11 ILE A 52 11.982 -0.953 -3.038 1.00 0.00 H new ATOM 0 HD12 ILE A 52 13.267 -2.174 -3.190 1.00 0.00 H new ATOM 0 HD13 ILE A 52 13.572 -0.495 -3.694 1.00 0.00 H new ATOM 755 N PRO A 53 13.800 -4.907 -7.248 1.00 0.00 N ATOM 756 CA PRO A 53 13.740 -6.368 -7.151 1.00 0.00 C ATOM 757 C PRO A 53 13.060 -6.820 -5.865 1.00 0.00 C ATOM 758 O PRO A 53 12.517 -7.921 -5.792 1.00 0.00 O ATOM 759 CB PRO A 53 15.213 -6.799 -7.161 1.00 0.00 C ATOM 760 CG PRO A 53 15.980 -5.568 -6.815 1.00 0.00 C ATOM 761 CD PRO A 53 15.184 -4.422 -7.366 1.00 0.00 C ATOM 0 HA PRO A 53 13.158 -6.808 -7.961 1.00 0.00 H new ATOM 0 HB2 PRO A 53 15.396 -7.594 -6.438 1.00 0.00 H new ATOM 0 HB3 PRO A 53 15.505 -7.184 -8.138 1.00 0.00 H new ATOM 0 HG2 PRO A 53 16.104 -5.475 -5.736 1.00 0.00 H new ATOM 0 HG3 PRO A 53 16.979 -5.595 -7.250 1.00 0.00 H new ATOM 0 HD2 PRO A 53 15.343 -3.507 -6.796 1.00 0.00 H new ATOM 0 HD3 PRO A 53 15.450 -4.204 -8.400 1.00 0.00 H new ATOM 769 N GLY A 54 13.096 -5.956 -4.856 1.00 0.00 N ATOM 770 CA GLY A 54 12.482 -6.275 -3.582 1.00 0.00 C ATOM 771 C GLY A 54 10.978 -6.411 -3.678 1.00 0.00 C ATOM 772 O GLY A 54 10.423 -7.476 -3.391 1.00 0.00 O ATOM 0 H GLY A 54 13.541 -5.039 -4.899 1.00 0.00 H new ATOM 0 HA2 GLY A 54 12.904 -7.206 -3.203 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.727 -5.496 -2.860 1.00 0.00 H new ATOM 776 N PHE A 55 10.312 -5.336 -4.089 1.00 0.00 N ATOM 777 CA PHE A 55 8.869 -5.358 -4.223 1.00 0.00 C ATOM 778 C PHE A 55 8.464 -6.195 -5.425 1.00 0.00 C ATOM 779 O PHE A 55 7.512 -6.972 -5.363 1.00 0.00 O ATOM 780 CB PHE A 55 8.306 -3.940 -4.370 1.00 0.00 C ATOM 781 CG PHE A 55 8.333 -3.118 -3.108 1.00 0.00 C ATOM 782 CD1 PHE A 55 7.477 -3.399 -2.053 1.00 0.00 C ATOM 783 CD2 PHE A 55 9.206 -2.049 -2.986 1.00 0.00 C ATOM 784 CE1 PHE A 55 7.492 -2.635 -0.909 1.00 0.00 C ATOM 785 CE2 PHE A 55 9.226 -1.280 -1.838 1.00 0.00 C ATOM 786 CZ PHE A 55 8.367 -1.574 -0.799 1.00 0.00 C ATOM 0 H PHE A 55 10.749 -4.447 -4.332 1.00 0.00 H new ATOM 0 HA PHE A 55 8.456 -5.802 -3.317 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.873 -3.417 -5.140 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.276 -4.007 -4.722 1.00 0.00 H new ATOM 0 HD1 PHE A 55 6.790 -4.228 -2.131 1.00 0.00 H new ATOM 0 HD2 PHE A 55 9.879 -1.814 -3.798 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.819 -2.866 -0.097 1.00 0.00 H new ATOM 0 HE2 PHE A 55 9.913 -0.451 -1.754 1.00 0.00 H new ATOM 0 HZ PHE A 55 8.380 -0.974 0.099 1.00 0.00 H new ATOM 796 N GLU A 56 9.202 -6.034 -6.517 1.00 0.00 N ATOM 797 CA GLU A 56 8.932 -6.780 -7.737 1.00 0.00 C ATOM 798 C GLU A 56 8.934 -8.281 -7.464 1.00 0.00 C ATOM 799 O GLU A 56 8.354 -9.058 -8.221 1.00 0.00 O ATOM 800 CB GLU A 56 9.973 -6.442 -8.806 1.00 0.00 C ATOM 801 CG GLU A 56 9.639 -7.003 -10.179 1.00 0.00 C ATOM 802 CD GLU A 56 9.516 -5.924 -11.237 1.00 0.00 C ATOM 803 OE1 GLU A 56 10.208 -4.891 -11.115 1.00 0.00 O ATOM 804 OE2 GLU A 56 8.728 -6.111 -12.188 1.00 0.00 O ATOM 0 H GLU A 56 9.992 -5.393 -6.581 1.00 0.00 H new ATOM 0 HA GLU A 56 7.944 -6.495 -8.100 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.068 -5.359 -8.879 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.943 -6.827 -8.491 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.413 -7.711 -10.476 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.703 -7.559 -10.122 1.00 0.00 H new ATOM 811 N ASP A 57 9.591 -8.684 -6.377 1.00 0.00 N ATOM 812 CA ASP A 57 9.667 -10.091 -6.006 1.00 0.00 C ATOM 813 C ASP A 57 8.391 -10.549 -5.302 1.00 0.00 C ATOM 814 O ASP A 57 7.552 -11.224 -5.897 1.00 0.00 O ATOM 815 CB ASP A 57 10.875 -10.342 -5.099 1.00 0.00 C ATOM 816 CG ASP A 57 11.971 -11.125 -5.796 1.00 0.00 C ATOM 817 OD1 ASP A 57 12.319 -10.768 -6.940 1.00 0.00 O ATOM 818 OD2 ASP A 57 12.480 -12.095 -5.197 1.00 0.00 O ATOM 0 H ASP A 57 10.077 -8.054 -5.740 1.00 0.00 H new ATOM 0 HA ASP A 57 9.780 -10.668 -6.924 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.275 -9.387 -4.759 1.00 0.00 H new ATOM 0 HB3 ASP A 57 10.552 -10.886 -4.211 1.00 0.00 H new ATOM 823 N GLY A 58 8.266 -10.204 -4.020 1.00 0.00 N ATOM 824 CA GLY A 58 7.105 -10.619 -3.250 1.00 0.00 C ATOM 825 C GLY A 58 5.815 -10.026 -3.764 1.00 0.00 C ATOM 826 O GLY A 58 4.866 -10.748 -4.069 1.00 0.00 O ATOM 0 H GLY A 58 8.946 -9.646 -3.504 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.032 -11.706 -3.270 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.243 -10.328 -2.209 1.00 0.00 H new ATOM 830 N ILE A 59 5.785 -8.707 -3.860 1.00 0.00 N ATOM 831 CA ILE A 59 4.623 -7.982 -4.335 1.00 0.00 C ATOM 832 C ILE A 59 4.525 -8.044 -5.847 1.00 0.00 C ATOM 833 O ILE A 59 4.081 -7.104 -6.506 1.00 0.00 O ATOM 834 CB ILE A 59 4.695 -6.521 -3.860 1.00 0.00 C ATOM 835 CG1 ILE A 59 5.093 -6.478 -2.381 1.00 0.00 C ATOM 836 CG2 ILE A 59 3.371 -5.811 -4.079 1.00 0.00 C ATOM 837 CD1 ILE A 59 6.581 -6.583 -2.145 1.00 0.00 C ATOM 0 H ILE A 59 6.571 -8.108 -3.609 1.00 0.00 H new ATOM 0 HA ILE A 59 3.728 -8.449 -3.923 1.00 0.00 H new ATOM 0 HB ILE A 59 5.451 -6.000 -4.447 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.730 -5.548 -1.944 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.593 -7.292 -1.856 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.450 -4.780 -3.734 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.124 -5.821 -5.141 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.587 -6.322 -3.519 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.783 -6.545 -1.075 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.948 -7.526 -2.550 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.087 -5.754 -2.639 1.00 0.00 H new ATOM 849 N LYS A 60 4.883 -9.208 -6.365 1.00 0.00 N ATOM 850 CA LYS A 60 4.769 -9.460 -7.788 1.00 0.00 C ATOM 851 C LYS A 60 3.345 -9.067 -8.168 1.00 0.00 C ATOM 852 O LYS A 60 3.108 -8.311 -9.107 1.00 0.00 O ATOM 853 CB LYS A 60 5.036 -10.933 -8.112 1.00 0.00 C ATOM 854 CG LYS A 60 6.402 -11.177 -8.730 1.00 0.00 C ATOM 855 CD LYS A 60 6.657 -12.658 -8.969 1.00 0.00 C ATOM 856 CE LYS A 60 6.156 -13.101 -10.335 1.00 0.00 C ATOM 857 NZ LYS A 60 5.494 -14.433 -10.278 1.00 0.00 N ATOM 0 H LYS A 60 5.253 -9.988 -5.822 1.00 0.00 H new ATOM 0 HA LYS A 60 5.505 -8.887 -8.351 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.949 -11.520 -7.198 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.267 -11.292 -8.796 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.475 -10.638 -9.675 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.175 -10.776 -8.074 1.00 0.00 H new ATOM 0 HD2 LYS A 60 7.725 -12.861 -8.890 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.163 -13.242 -8.193 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.453 -12.363 -10.721 1.00 0.00 H new ATOM 0 HE3 LYS A 60 6.992 -13.141 -11.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.936 -14.581 -11.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 6.217 -15.177 -10.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.866 -14.473 -9.450 1.00 0.00 H new ATOM 871 N GLY A 61 2.415 -9.641 -7.416 1.00 0.00 N ATOM 872 CA GLY A 61 1.002 -9.429 -7.630 1.00 0.00 C ATOM 873 C GLY A 61 0.371 -10.684 -8.170 1.00 0.00 C ATOM 874 O GLY A 61 -0.408 -10.663 -9.121 1.00 0.00 O ATOM 0 H GLY A 61 2.627 -10.268 -6.640 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.522 -9.144 -6.693 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.851 -8.606 -8.329 1.00 0.00 H new ATOM 878 N HIS A 62 0.745 -11.792 -7.547 1.00 0.00 N ATOM 879 CA HIS A 62 0.247 -13.105 -7.958 1.00 0.00 C ATOM 880 C HIS A 62 -0.423 -13.860 -6.813 1.00 0.00 C ATOM 881 O HIS A 62 -1.126 -14.844 -7.042 1.00 0.00 O ATOM 882 CB HIS A 62 1.384 -13.947 -8.546 1.00 0.00 C ATOM 883 CG HIS A 62 2.549 -14.160 -7.621 1.00 0.00 C ATOM 884 ND1 HIS A 62 3.570 -15.041 -7.902 1.00 0.00 N ATOM 885 CD2 HIS A 62 2.865 -13.597 -6.427 1.00 0.00 C ATOM 886 CE1 HIS A 62 4.460 -15.015 -6.927 1.00 0.00 C ATOM 887 NE2 HIS A 62 4.058 -14.145 -6.020 1.00 0.00 N ATOM 0 H HIS A 62 1.390 -11.813 -6.757 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.512 -12.932 -8.721 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.986 -14.919 -8.837 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.743 -13.465 -9.455 1.00 0.00 H new ATOM 0 HD2 HIS A 62 2.286 -12.856 -5.895 1.00 0.00 H new ATOM 0 HE1 HIS A 62 5.363 -15.605 -6.880 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.552 -13.916 -5.157 1.00 0.00 H new ATOM 895 N LYS A 63 -0.210 -13.407 -5.584 1.00 0.00 N ATOM 896 CA LYS A 63 -0.807 -14.061 -4.425 1.00 0.00 C ATOM 897 C LYS A 63 -1.713 -13.108 -3.653 1.00 0.00 C ATOM 898 O LYS A 63 -1.313 -12.548 -2.632 1.00 0.00 O ATOM 899 CB LYS A 63 0.282 -14.599 -3.501 1.00 0.00 C ATOM 900 CG LYS A 63 1.105 -15.724 -4.103 1.00 0.00 C ATOM 901 CD LYS A 63 1.092 -16.955 -3.212 1.00 0.00 C ATOM 902 CE LYS A 63 1.079 -18.233 -4.032 1.00 0.00 C ATOM 903 NZ LYS A 63 0.348 -19.331 -3.341 1.00 0.00 N ATOM 0 H LYS A 63 0.367 -12.595 -5.364 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.415 -14.889 -4.789 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.949 -13.781 -3.228 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.180 -14.954 -2.580 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.711 -15.980 -5.086 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.132 -15.389 -4.249 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.968 -16.946 -2.564 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.216 -16.928 -2.564 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.613 -18.039 -4.998 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.104 -18.548 -4.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.363 -20.185 -3.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.807 -19.534 -2.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.637 -19.042 -3.175 1.00 0.00 H new ATOM 917 N ALA A 64 -2.942 -12.947 -4.128 1.00 0.00 N ATOM 918 CA ALA A 64 -3.913 -12.087 -3.467 1.00 0.00 C ATOM 919 C ALA A 64 -4.183 -12.554 -2.034 1.00 0.00 C ATOM 920 O ALA A 64 -4.999 -13.448 -1.810 1.00 0.00 O ATOM 921 CB ALA A 64 -5.206 -12.052 -4.270 1.00 0.00 C ATOM 0 H ALA A 64 -3.290 -13.403 -4.972 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.499 -11.080 -3.414 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.928 -11.407 -3.769 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.004 -11.664 -5.268 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.613 -13.060 -4.348 1.00 0.00 H new ATOM 927 N GLY A 65 -3.501 -11.942 -1.066 1.00 0.00 N ATOM 928 CA GLY A 65 -3.692 -12.313 0.331 1.00 0.00 C ATOM 929 C GLY A 65 -2.577 -13.197 0.863 1.00 0.00 C ATOM 930 O GLY A 65 -2.818 -14.094 1.672 1.00 0.00 O ATOM 0 H GLY A 65 -2.821 -11.198 -1.222 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.753 -11.409 0.937 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.644 -12.833 0.437 1.00 0.00 H new ATOM 934 N GLU A 66 -1.356 -12.947 0.402 1.00 0.00 N ATOM 935 CA GLU A 66 -0.191 -13.724 0.824 1.00 0.00 C ATOM 936 C GLU A 66 0.607 -12.999 1.903 1.00 0.00 C ATOM 937 O GLU A 66 0.459 -11.796 2.085 1.00 0.00 O ATOM 938 CB GLU A 66 0.698 -14.007 -0.383 1.00 0.00 C ATOM 939 CG GLU A 66 1.852 -14.960 -0.113 1.00 0.00 C ATOM 940 CD GLU A 66 1.390 -16.376 0.176 1.00 0.00 C ATOM 941 OE1 GLU A 66 0.220 -16.552 0.574 1.00 0.00 O ATOM 942 OE2 GLU A 66 2.201 -17.311 0.000 1.00 0.00 O ATOM 0 H GLU A 66 -1.145 -12.208 -0.268 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.545 -14.663 1.250 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.082 -14.421 -1.182 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.102 -13.063 -0.749 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.519 -14.969 -0.975 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.431 -14.592 0.734 1.00 0.00 H new ATOM 949 N GLU A 67 1.471 -13.742 2.593 1.00 0.00 N ATOM 950 CA GLU A 67 2.324 -13.177 3.636 1.00 0.00 C ATOM 951 C GLU A 67 3.782 -13.565 3.385 1.00 0.00 C ATOM 952 O GLU A 67 4.165 -14.720 3.564 1.00 0.00 O ATOM 953 CB GLU A 67 1.873 -13.658 5.018 1.00 0.00 C ATOM 954 CG GLU A 67 1.759 -15.169 5.133 1.00 0.00 C ATOM 955 CD GLU A 67 0.478 -15.608 5.815 1.00 0.00 C ATOM 956 OE1 GLU A 67 0.463 -15.674 7.062 1.00 0.00 O ATOM 957 OE2 GLU A 67 -0.510 -15.884 5.103 1.00 0.00 O ATOM 0 H GLU A 67 1.599 -14.743 2.447 1.00 0.00 H new ATOM 0 HA GLU A 67 2.239 -12.091 3.608 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.579 -13.298 5.766 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.906 -13.211 5.251 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.805 -15.610 4.137 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.613 -15.552 5.691 1.00 0.00 H new ATOM 964 N PHE A 68 4.580 -12.596 2.936 1.00 0.00 N ATOM 965 CA PHE A 68 5.990 -12.837 2.619 1.00 0.00 C ATOM 966 C PHE A 68 6.873 -11.686 3.095 1.00 0.00 C ATOM 967 O PHE A 68 6.381 -10.613 3.433 1.00 0.00 O ATOM 968 CB PHE A 68 6.148 -13.002 1.116 1.00 0.00 C ATOM 969 CG PHE A 68 5.557 -11.853 0.369 1.00 0.00 C ATOM 970 CD1 PHE A 68 6.281 -10.691 0.187 1.00 0.00 C ATOM 971 CD2 PHE A 68 4.268 -11.924 -0.125 1.00 0.00 C ATOM 972 CE1 PHE A 68 5.730 -9.617 -0.481 1.00 0.00 C ATOM 973 CE2 PHE A 68 3.710 -10.855 -0.789 1.00 0.00 C ATOM 974 CZ PHE A 68 4.439 -9.699 -0.969 1.00 0.00 C ATOM 0 H PHE A 68 4.274 -11.635 2.783 1.00 0.00 H new ATOM 0 HA PHE A 68 6.304 -13.744 3.135 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.206 -13.091 0.869 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.668 -13.928 0.799 1.00 0.00 H new ATOM 0 HD1 PHE A 68 7.288 -10.622 0.571 1.00 0.00 H new ATOM 0 HD2 PHE A 68 3.693 -12.828 0.011 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.306 -8.714 -0.622 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.701 -10.922 -1.169 1.00 0.00 H new ATOM 0 HZ PHE A 68 4.003 -8.859 -1.490 1.00 0.00 H new ATOM 984 N THR A 69 8.180 -11.912 3.115 1.00 0.00 N ATOM 985 CA THR A 69 9.126 -10.887 3.544 1.00 0.00 C ATOM 986 C THR A 69 10.207 -10.662 2.490 1.00 0.00 C ATOM 987 O THR A 69 10.842 -11.616 2.038 1.00 0.00 O ATOM 988 CB THR A 69 9.768 -11.293 4.874 1.00 0.00 C ATOM 989 OG1 THR A 69 8.776 -11.598 5.839 1.00 0.00 O ATOM 990 CG2 THR A 69 10.668 -10.229 5.462 1.00 0.00 C ATOM 0 H THR A 69 8.610 -12.795 2.840 1.00 0.00 H new ATOM 0 HA THR A 69 8.580 -9.953 3.676 1.00 0.00 H new ATOM 0 HB THR A 69 10.376 -12.167 4.640 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.207 -11.857 6.680 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.087 -10.586 6.403 1.00 0.00 H new ATOM 0 HG22 THR A 69 11.476 -10.010 4.764 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.090 -9.323 5.643 1.00 0.00 H new ATOM 998 N ILE A 70 10.424 -9.404 2.102 1.00 0.00 N ATOM 999 CA ILE A 70 11.443 -9.098 1.104 1.00 0.00 C ATOM 1000 C ILE A 70 12.258 -7.885 1.519 1.00 0.00 C ATOM 1001 O ILE A 70 11.845 -7.112 2.383 1.00 0.00 O ATOM 1002 CB ILE A 70 10.830 -8.846 -0.293 1.00 0.00 C ATOM 1003 CG1 ILE A 70 10.033 -7.538 -0.316 1.00 0.00 C ATOM 1004 CG2 ILE A 70 9.951 -10.017 -0.711 1.00 0.00 C ATOM 1005 CD1 ILE A 70 8.809 -7.555 0.569 1.00 0.00 C ATOM 0 H ILE A 70 9.916 -8.595 2.458 1.00 0.00 H new ATOM 0 HA ILE A 70 12.092 -9.971 1.041 1.00 0.00 H new ATOM 0 HB ILE A 70 11.647 -8.755 -1.009 1.00 0.00 H new ATOM 0 HG12 ILE A 70 10.684 -6.721 -0.004 1.00 0.00 H new ATOM 0 HG13 ILE A 70 9.726 -7.328 -1.341 1.00 0.00 H new ATOM 0 HG21 ILE A 70 9.529 -9.821 -1.697 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.550 -10.927 -0.747 1.00 0.00 H new ATOM 0 HG23 ILE A 70 9.144 -10.142 0.011 1.00 0.00 H new ATOM 0 HD11 ILE A 70 8.297 -6.595 0.500 1.00 0.00 H new ATOM 0 HD12 ILE A 70 8.137 -8.349 0.245 1.00 0.00 H new ATOM 0 HD13 ILE A 70 9.109 -7.733 1.602 1.00 0.00 H new ATOM 1017 N ASP A 71 13.395 -7.697 0.867 1.00 0.00 N ATOM 1018 CA ASP A 71 14.243 -6.551 1.136 1.00 0.00 C ATOM 1019 C ASP A 71 13.920 -5.458 0.130 1.00 0.00 C ATOM 1020 O ASP A 71 13.593 -5.756 -1.016 1.00 0.00 O ATOM 1021 CB ASP A 71 15.720 -6.943 1.040 1.00 0.00 C ATOM 1022 CG ASP A 71 16.051 -7.626 -0.273 1.00 0.00 C ATOM 1023 OD1 ASP A 71 15.717 -7.063 -1.336 1.00 0.00 O ATOM 1024 OD2 ASP A 71 16.643 -8.726 -0.237 1.00 0.00 O ATOM 0 H ASP A 71 13.750 -8.326 0.147 1.00 0.00 H new ATOM 0 HA ASP A 71 14.057 -6.188 2.147 1.00 0.00 H new ATOM 0 HB2 ASP A 71 16.338 -6.052 1.149 1.00 0.00 H new ATOM 0 HB3 ASP A 71 15.971 -7.608 1.866 1.00 0.00 H new ATOM 1029 N VAL A 72 14.030 -4.200 0.529 1.00 0.00 N ATOM 1030 CA VAL A 72 13.758 -3.103 -0.395 1.00 0.00 C ATOM 1031 C VAL A 72 14.653 -1.909 -0.109 1.00 0.00 C ATOM 1032 O VAL A 72 14.839 -1.521 1.041 1.00 0.00 O ATOM 1033 CB VAL A 72 12.292 -2.639 -0.343 1.00 0.00 C ATOM 1034 CG1 VAL A 72 11.404 -3.578 -1.140 1.00 0.00 C ATOM 1035 CG2 VAL A 72 11.814 -2.525 1.095 1.00 0.00 C ATOM 0 H VAL A 72 14.301 -3.913 1.470 1.00 0.00 H new ATOM 0 HA VAL A 72 13.965 -3.494 -1.391 1.00 0.00 H new ATOM 0 HB VAL A 72 12.229 -1.650 -0.797 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.372 -3.232 -1.090 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.732 -3.594 -2.179 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.470 -4.583 -0.723 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.775 -2.196 1.108 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.893 -3.497 1.583 1.00 0.00 H new ATOM 0 HG23 VAL A 72 12.431 -1.801 1.627 1.00 0.00 H new ATOM 1045 N THR A 73 15.187 -1.312 -1.164 1.00 0.00 N ATOM 1046 CA THR A 73 16.042 -0.145 -1.037 1.00 0.00 C ATOM 1047 C THR A 73 15.820 0.746 -2.249 1.00 0.00 C ATOM 1048 O THR A 73 15.936 0.296 -3.388 1.00 0.00 O ATOM 1049 CB THR A 73 17.515 -0.561 -0.936 1.00 0.00 C ATOM 1050 OG1 THR A 73 17.801 -1.084 0.350 1.00 0.00 O ATOM 1051 CG2 THR A 73 18.486 0.575 -1.193 1.00 0.00 C ATOM 0 H THR A 73 15.040 -1.621 -2.125 1.00 0.00 H new ATOM 0 HA THR A 73 15.791 0.399 -0.126 1.00 0.00 H new ATOM 0 HB THR A 73 17.652 -1.314 -1.712 1.00 0.00 H new ATOM 0 HG1 THR A 73 16.962 -1.254 0.828 1.00 0.00 H new ATOM 0 HG21 THR A 73 19.508 0.207 -1.105 1.00 0.00 H new ATOM 0 HG22 THR A 73 18.328 0.969 -2.197 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.321 1.367 -0.462 1.00 0.00 H new ATOM 1059 N PHE A 74 15.484 2.004 -2.010 1.00 0.00 N ATOM 1060 CA PHE A 74 15.230 2.934 -3.097 1.00 0.00 C ATOM 1061 C PHE A 74 16.522 3.577 -3.600 1.00 0.00 C ATOM 1062 O PHE A 74 17.319 4.084 -2.812 1.00 0.00 O ATOM 1063 CB PHE A 74 14.227 3.981 -2.635 1.00 0.00 C ATOM 1064 CG PHE A 74 12.851 3.402 -2.468 1.00 0.00 C ATOM 1065 CD1 PHE A 74 12.628 2.337 -1.608 1.00 0.00 C ATOM 1066 CD2 PHE A 74 11.791 3.904 -3.194 1.00 0.00 C ATOM 1067 CE1 PHE A 74 11.364 1.788 -1.478 1.00 0.00 C ATOM 1068 CE2 PHE A 74 10.525 3.366 -3.067 1.00 0.00 C ATOM 1069 CZ PHE A 74 10.310 2.305 -2.209 1.00 0.00 C ATOM 0 H PHE A 74 15.381 2.403 -1.077 1.00 0.00 H new ATOM 0 HA PHE A 74 14.809 2.387 -3.940 1.00 0.00 H new ATOM 0 HB2 PHE A 74 14.558 4.409 -1.689 1.00 0.00 H new ATOM 0 HB3 PHE A 74 14.193 4.796 -3.359 1.00 0.00 H new ATOM 0 HD1 PHE A 74 13.449 1.932 -1.034 1.00 0.00 H new ATOM 0 HD2 PHE A 74 11.953 4.729 -3.871 1.00 0.00 H new ATOM 0 HE1 PHE A 74 11.201 0.958 -0.807 1.00 0.00 H new ATOM 0 HE2 PHE A 74 9.704 3.774 -3.638 1.00 0.00 H new ATOM 0 HZ PHE A 74 9.322 1.881 -2.109 1.00 0.00 H new ATOM 1079 N PRO A 75 16.750 3.552 -4.926 1.00 0.00 N ATOM 1080 CA PRO A 75 17.959 4.123 -5.528 1.00 0.00 C ATOM 1081 C PRO A 75 18.021 5.640 -5.409 1.00 0.00 C ATOM 1082 O PRO A 75 17.134 6.270 -4.834 1.00 0.00 O ATOM 1083 CB PRO A 75 17.860 3.719 -7.001 1.00 0.00 C ATOM 1084 CG PRO A 75 16.410 3.472 -7.238 1.00 0.00 C ATOM 1085 CD PRO A 75 15.858 2.956 -5.940 1.00 0.00 C ATOM 0 HA PRO A 75 18.857 3.760 -5.027 1.00 0.00 H new ATOM 0 HB2 PRO A 75 18.237 4.507 -7.652 1.00 0.00 H new ATOM 0 HB3 PRO A 75 18.451 2.826 -7.206 1.00 0.00 H new ATOM 0 HG2 PRO A 75 15.903 4.388 -7.540 1.00 0.00 H new ATOM 0 HG3 PRO A 75 16.264 2.748 -8.039 1.00 0.00 H new ATOM 0 HD2 PRO A 75 14.822 3.263 -5.794 1.00 0.00 H new ATOM 0 HD3 PRO A 75 15.876 1.867 -5.901 1.00 0.00 H new ATOM 1093 N GLU A 76 19.081 6.216 -5.965 1.00 0.00 N ATOM 1094 CA GLU A 76 19.278 7.658 -5.937 1.00 0.00 C ATOM 1095 C GLU A 76 18.383 8.358 -6.958 1.00 0.00 C ATOM 1096 O GLU A 76 18.312 9.586 -6.996 1.00 0.00 O ATOM 1097 CB GLU A 76 20.744 7.992 -6.209 1.00 0.00 C ATOM 1098 CG GLU A 76 21.192 9.317 -5.614 1.00 0.00 C ATOM 1099 CD GLU A 76 22.605 9.686 -6.021 1.00 0.00 C ATOM 1100 OE1 GLU A 76 22.782 10.210 -7.141 1.00 0.00 O ATOM 1101 OE2 GLU A 76 23.534 9.449 -5.220 1.00 0.00 O ATOM 0 H GLU A 76 19.821 5.701 -6.443 1.00 0.00 H new ATOM 0 HA GLU A 76 19.005 8.018 -4.945 1.00 0.00 H new ATOM 0 HB2 GLU A 76 21.369 7.194 -5.808 1.00 0.00 H new ATOM 0 HB3 GLU A 76 20.908 8.014 -7.286 1.00 0.00 H new ATOM 0 HG2 GLU A 76 20.508 10.104 -5.932 1.00 0.00 H new ATOM 0 HG3 GLU A 76 21.133 9.262 -4.527 1.00 0.00 H new ATOM 1108 N GLU A 77 17.703 7.571 -7.788 1.00 0.00 N ATOM 1109 CA GLU A 77 16.818 8.118 -8.808 1.00 0.00 C ATOM 1110 C GLU A 77 15.412 8.321 -8.250 1.00 0.00 C ATOM 1111 O GLU A 77 14.738 9.298 -8.581 1.00 0.00 O ATOM 1112 CB GLU A 77 16.775 7.187 -10.021 1.00 0.00 C ATOM 1113 CG GLU A 77 18.107 6.518 -10.323 1.00 0.00 C ATOM 1114 CD GLU A 77 18.455 6.543 -11.798 1.00 0.00 C ATOM 1115 OE1 GLU A 77 18.199 7.576 -12.452 1.00 0.00 O ATOM 1116 OE2 GLU A 77 18.984 5.528 -12.300 1.00 0.00 O ATOM 0 H GLU A 77 17.749 6.552 -7.773 1.00 0.00 H new ATOM 0 HA GLU A 77 17.207 9.087 -9.119 1.00 0.00 H new ATOM 0 HB2 GLU A 77 16.022 6.418 -9.851 1.00 0.00 H new ATOM 0 HB3 GLU A 77 16.458 7.757 -10.895 1.00 0.00 H new ATOM 0 HG2 GLU A 77 18.895 7.017 -9.760 1.00 0.00 H new ATOM 0 HG3 GLU A 77 18.076 5.484 -9.979 1.00 0.00 H new ATOM 1123 N TYR A 78 14.980 7.398 -7.394 1.00 0.00 N ATOM 1124 CA TYR A 78 13.654 7.482 -6.781 1.00 0.00 C ATOM 1125 C TYR A 78 13.558 8.722 -5.901 1.00 0.00 C ATOM 1126 O TYR A 78 12.875 9.689 -6.240 1.00 0.00 O ATOM 1127 CB TYR A 78 13.373 6.228 -5.943 1.00 0.00 C ATOM 1128 CG TYR A 78 11.914 5.827 -5.907 1.00 0.00 C ATOM 1129 CD1 TYR A 78 11.001 6.483 -5.084 1.00 0.00 C ATOM 1130 CD2 TYR A 78 11.453 4.783 -6.694 1.00 0.00 C ATOM 1131 CE1 TYR A 78 9.672 6.106 -5.052 1.00 0.00 C ATOM 1132 CE2 TYR A 78 10.126 4.402 -6.671 1.00 0.00 C ATOM 1133 CZ TYR A 78 9.240 5.066 -5.849 1.00 0.00 C ATOM 1134 OH TYR A 78 7.917 4.690 -5.822 1.00 0.00 O ATOM 0 H TYR A 78 15.526 6.585 -7.109 1.00 0.00 H new ATOM 0 HA TYR A 78 12.910 7.551 -7.575 1.00 0.00 H new ATOM 0 HB2 TYR A 78 13.958 5.399 -6.341 1.00 0.00 H new ATOM 0 HB3 TYR A 78 13.717 6.400 -4.923 1.00 0.00 H new ATOM 0 HD1 TYR A 78 11.337 7.299 -4.461 1.00 0.00 H new ATOM 0 HD2 TYR A 78 12.144 4.258 -7.337 1.00 0.00 H new ATOM 0 HE1 TYR A 78 8.976 6.622 -4.407 1.00 0.00 H new ATOM 0 HE2 TYR A 78 9.784 3.588 -7.293 1.00 0.00 H new ATOM 0 HH TYR A 78 7.776 3.944 -6.441 1.00 0.00 H new ATOM 1144 N HIS A 79 14.265 8.681 -4.775 1.00 0.00 N ATOM 1145 CA HIS A 79 14.300 9.783 -3.821 1.00 0.00 C ATOM 1146 C HIS A 79 12.955 10.503 -3.701 1.00 0.00 C ATOM 1147 O HIS A 79 12.836 11.681 -4.040 1.00 0.00 O ATOM 1148 CB HIS A 79 15.406 10.760 -4.206 1.00 0.00 C ATOM 1149 CG HIS A 79 16.759 10.275 -3.790 1.00 0.00 C ATOM 1150 ND1 HIS A 79 17.870 11.088 -3.719 1.00 0.00 N ATOM 1151 CD2 HIS A 79 17.173 9.042 -3.404 1.00 0.00 C ATOM 1152 CE1 HIS A 79 18.908 10.382 -3.306 1.00 0.00 C ATOM 1153 NE2 HIS A 79 18.510 9.138 -3.107 1.00 0.00 N ATOM 0 H HIS A 79 14.831 7.879 -4.499 1.00 0.00 H new ATOM 0 HA HIS A 79 14.511 9.361 -2.838 1.00 0.00 H new ATOM 0 HB2 HIS A 79 15.393 10.914 -5.285 1.00 0.00 H new ATOM 0 HB3 HIS A 79 15.211 11.728 -3.744 1.00 0.00 H new ATOM 0 HD2 HIS A 79 16.565 8.152 -3.342 1.00 0.00 H new ATOM 0 HE1 HIS A 79 19.910 10.757 -3.157 1.00 0.00 H new ATOM 0 HE2 HIS A 79 19.101 8.372 -2.784 1.00 0.00 H new ATOM 1161 N ALA A 80 11.949 9.786 -3.201 1.00 0.00 N ATOM 1162 CA ALA A 80 10.618 10.353 -3.016 1.00 0.00 C ATOM 1163 C ALA A 80 10.554 11.183 -1.736 1.00 0.00 C ATOM 1164 O ALA A 80 11.256 10.903 -0.767 1.00 0.00 O ATOM 1165 CB ALA A 80 9.573 9.249 -2.984 1.00 0.00 C ATOM 0 H ALA A 80 12.033 8.810 -2.917 1.00 0.00 H new ATOM 0 HA ALA A 80 10.407 11.011 -3.859 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.585 9.687 -2.845 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.597 8.698 -3.924 1.00 0.00 H new ATOM 0 HB3 ALA A 80 9.787 8.569 -2.159 1.00 0.00 H new ATOM 1171 N GLU A 81 9.709 12.203 -1.741 1.00 0.00 N ATOM 1172 CA GLU A 81 9.558 13.081 -0.583 1.00 0.00 C ATOM 1173 C GLU A 81 9.110 12.320 0.664 1.00 0.00 C ATOM 1174 O GLU A 81 9.183 12.846 1.774 1.00 0.00 O ATOM 1175 CB GLU A 81 8.551 14.188 -0.896 1.00 0.00 C ATOM 1176 CG GLU A 81 8.743 15.440 -0.054 1.00 0.00 C ATOM 1177 CD GLU A 81 9.227 16.621 -0.869 1.00 0.00 C ATOM 1178 OE1 GLU A 81 8.584 16.939 -1.892 1.00 0.00 O ATOM 1179 OE2 GLU A 81 10.250 17.228 -0.488 1.00 0.00 O ATOM 0 H GLU A 81 9.115 12.446 -2.534 1.00 0.00 H new ATOM 0 HA GLU A 81 10.537 13.513 -0.374 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.631 14.453 -1.950 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.542 13.806 -0.739 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.800 15.698 0.428 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.460 15.233 0.740 1.00 0.00 H new ATOM 1186 N ASN A 82 8.628 11.092 0.486 1.00 0.00 N ATOM 1187 CA ASN A 82 8.157 10.297 1.620 1.00 0.00 C ATOM 1188 C ASN A 82 9.240 9.360 2.159 1.00 0.00 C ATOM 1189 O ASN A 82 9.454 9.289 3.367 1.00 0.00 O ATOM 1190 CB ASN A 82 6.903 9.482 1.254 1.00 0.00 C ATOM 1191 CG ASN A 82 6.368 9.773 -0.137 1.00 0.00 C ATOM 1192 OD1 ASN A 82 5.343 10.439 -0.294 1.00 0.00 O ATOM 1193 ND2 ASN A 82 7.061 9.275 -1.154 1.00 0.00 N ATOM 0 H ASN A 82 8.553 10.629 -0.420 1.00 0.00 H new ATOM 0 HA ASN A 82 7.901 11.008 2.405 1.00 0.00 H new ATOM 0 HB2 ASN A 82 7.137 8.420 1.329 1.00 0.00 H new ATOM 0 HB3 ASN A 82 6.121 9.688 1.985 1.00 0.00 H new ATOM 0 HD21 ASN A 82 6.750 9.438 -2.112 1.00 0.00 H new ATOM 0 HD22 ASN A 82 7.904 8.729 -0.978 1.00 0.00 H new ATOM 1200 N LEU A 83 9.902 8.620 1.271 1.00 0.00 N ATOM 1201 CA LEU A 83 10.933 7.675 1.701 1.00 0.00 C ATOM 1202 C LEU A 83 12.197 7.741 0.841 1.00 0.00 C ATOM 1203 O LEU A 83 12.932 6.765 0.740 1.00 0.00 O ATOM 1204 CB LEU A 83 10.363 6.248 1.699 1.00 0.00 C ATOM 1205 CG LEU A 83 10.141 5.589 0.324 1.00 0.00 C ATOM 1206 CD1 LEU A 83 9.806 6.604 -0.760 1.00 0.00 C ATOM 1207 CD2 LEU A 83 11.358 4.789 -0.079 1.00 0.00 C ATOM 0 H LEU A 83 9.747 8.654 0.263 1.00 0.00 H new ATOM 0 HA LEU A 83 11.227 7.958 2.712 1.00 0.00 H new ATOM 0 HB2 LEU A 83 11.036 5.613 2.275 1.00 0.00 H new ATOM 0 HB3 LEU A 83 9.409 6.263 2.226 1.00 0.00 H new ATOM 0 HG LEU A 83 9.283 4.924 0.426 1.00 0.00 H new ATOM 0 HD11 LEU A 83 9.659 6.088 -1.709 1.00 0.00 H new ATOM 0 HD12 LEU A 83 8.893 7.136 -0.491 1.00 0.00 H new ATOM 0 HD13 LEU A 83 10.625 7.316 -0.857 1.00 0.00 H new ATOM 0 HD21 LEU A 83 11.186 4.330 -1.052 1.00 0.00 H new ATOM 0 HD22 LEU A 83 12.224 5.448 -0.137 1.00 0.00 H new ATOM 0 HD23 LEU A 83 11.544 4.011 0.662 1.00 0.00 H new ATOM 1219 N LYS A 84 12.441 8.886 0.222 1.00 0.00 N ATOM 1220 CA LYS A 84 13.618 9.068 -0.638 1.00 0.00 C ATOM 1221 C LYS A 84 14.835 8.268 -0.161 1.00 0.00 C ATOM 1222 O LYS A 84 15.268 8.393 0.984 1.00 0.00 O ATOM 1223 CB LYS A 84 13.991 10.548 -0.741 1.00 0.00 C ATOM 1224 CG LYS A 84 14.105 11.248 0.602 1.00 0.00 C ATOM 1225 CD LYS A 84 14.413 12.725 0.427 1.00 0.00 C ATOM 1226 CE LYS A 84 13.207 13.484 -0.103 1.00 0.00 C ATOM 1227 NZ LYS A 84 13.503 14.930 -0.304 1.00 0.00 N ATOM 0 H LYS A 84 11.843 9.709 0.294 1.00 0.00 H new ATOM 0 HA LYS A 84 13.338 8.687 -1.620 1.00 0.00 H new ATOM 0 HB2 LYS A 84 14.941 10.638 -1.268 1.00 0.00 H new ATOM 0 HB3 LYS A 84 13.242 11.060 -1.345 1.00 0.00 H new ATOM 0 HG2 LYS A 84 13.174 11.131 1.156 1.00 0.00 H new ATOM 0 HG3 LYS A 84 14.890 10.778 1.195 1.00 0.00 H new ATOM 0 HD2 LYS A 84 14.721 13.150 1.382 1.00 0.00 H new ATOM 0 HD3 LYS A 84 15.251 12.845 -0.260 1.00 0.00 H new ATOM 0 HE2 LYS A 84 12.888 13.044 -1.048 1.00 0.00 H new ATOM 0 HE3 LYS A 84 12.376 13.377 0.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 12.655 15.411 -0.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 13.782 15.356 0.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 14.279 15.034 -0.989 1.00 0.00 H new ATOM 1241 N GLY A 85 15.387 7.459 -1.068 1.00 0.00 N ATOM 1242 CA GLY A 85 16.560 6.652 -0.760 1.00 0.00 C ATOM 1243 C GLY A 85 16.457 5.907 0.559 1.00 0.00 C ATOM 1244 O GLY A 85 17.322 6.046 1.424 1.00 0.00 O ATOM 0 H GLY A 85 15.038 7.348 -2.020 1.00 0.00 H new ATOM 0 HA2 GLY A 85 16.716 5.932 -1.563 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.438 7.297 -0.735 1.00 0.00 H new ATOM 1248 N LYS A 86 15.403 5.114 0.716 1.00 0.00 N ATOM 1249 CA LYS A 86 15.207 4.351 1.941 1.00 0.00 C ATOM 1250 C LYS A 86 15.655 2.899 1.800 1.00 0.00 C ATOM 1251 O LYS A 86 14.857 2.027 1.455 1.00 0.00 O ATOM 1252 CB LYS A 86 13.742 4.390 2.372 1.00 0.00 C ATOM 1253 CG LYS A 86 13.553 4.486 3.874 1.00 0.00 C ATOM 1254 CD LYS A 86 14.044 5.817 4.417 1.00 0.00 C ATOM 1255 CE LYS A 86 13.029 6.923 4.175 1.00 0.00 C ATOM 1256 NZ LYS A 86 13.089 7.974 5.230 1.00 0.00 N ATOM 0 H LYS A 86 14.675 4.984 0.014 1.00 0.00 H new ATOM 0 HA LYS A 86 15.828 4.821 2.703 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.255 5.242 1.898 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.241 3.493 2.008 1.00 0.00 H new ATOM 0 HG2 LYS A 86 12.498 4.361 4.117 1.00 0.00 H new ATOM 0 HG3 LYS A 86 14.091 3.673 4.361 1.00 0.00 H new ATOM 0 HD2 LYS A 86 14.238 5.726 5.486 1.00 0.00 H new ATOM 0 HD3 LYS A 86 14.990 6.079 3.943 1.00 0.00 H new ATOM 0 HE2 LYS A 86 13.211 7.376 3.201 1.00 0.00 H new ATOM 0 HE3 LYS A 86 12.027 6.496 4.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 12.382 8.709 5.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 12.890 7.547 6.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 14.038 8.400 5.242 1.00 0.00 H new ATOM 1270 N ALA A 87 16.918 2.634 2.107 1.00 0.00 N ATOM 1271 CA ALA A 87 17.439 1.275 2.056 1.00 0.00 C ATOM 1272 C ALA A 87 16.952 0.524 3.288 1.00 0.00 C ATOM 1273 O ALA A 87 17.510 0.681 4.375 1.00 0.00 O ATOM 1274 CB ALA A 87 18.960 1.286 1.992 1.00 0.00 C ATOM 0 H ALA A 87 17.598 3.339 2.393 1.00 0.00 H new ATOM 0 HA ALA A 87 17.079 0.774 1.158 1.00 0.00 H new ATOM 0 HB1 ALA A 87 19.330 0.261 1.955 1.00 0.00 H new ATOM 0 HB2 ALA A 87 19.283 1.821 1.099 1.00 0.00 H new ATOM 0 HB3 ALA A 87 19.358 1.783 2.877 1.00 0.00 H new ATOM 1280 N ALA A 88 15.876 -0.244 3.138 1.00 0.00 N ATOM 1281 CA ALA A 88 15.301 -0.946 4.279 1.00 0.00 C ATOM 1282 C ALA A 88 14.926 -2.398 3.996 1.00 0.00 C ATOM 1283 O ALA A 88 15.162 -2.939 2.917 1.00 0.00 O ATOM 1284 CB ALA A 88 14.068 -0.185 4.756 1.00 0.00 C ATOM 0 H ALA A 88 15.392 -0.394 2.253 1.00 0.00 H new ATOM 0 HA ALA A 88 16.074 -0.980 5.047 1.00 0.00 H new ATOM 0 HB1 ALA A 88 13.629 -0.701 5.610 1.00 0.00 H new ATOM 0 HB2 ALA A 88 14.355 0.824 5.051 1.00 0.00 H new ATOM 0 HB3 ALA A 88 13.337 -0.133 3.949 1.00 0.00 H new ATOM 1290 N LYS A 89 14.303 -2.990 5.006 1.00 0.00 N ATOM 1291 CA LYS A 89 13.818 -4.360 4.960 1.00 0.00 C ATOM 1292 C LYS A 89 12.344 -4.337 5.321 1.00 0.00 C ATOM 1293 O LYS A 89 11.961 -3.630 6.248 1.00 0.00 O ATOM 1294 CB LYS A 89 14.588 -5.246 5.941 1.00 0.00 C ATOM 1295 CG LYS A 89 15.951 -5.684 5.427 1.00 0.00 C ATOM 1296 CD LYS A 89 17.031 -5.500 6.480 1.00 0.00 C ATOM 1297 CE LYS A 89 17.864 -4.258 6.214 1.00 0.00 C ATOM 1298 NZ LYS A 89 19.238 -4.378 6.778 1.00 0.00 N ATOM 0 H LYS A 89 14.118 -2.523 5.894 1.00 0.00 H new ATOM 0 HA LYS A 89 13.965 -4.774 3.963 1.00 0.00 H new ATOM 0 HB2 LYS A 89 14.719 -4.706 6.879 1.00 0.00 H new ATOM 0 HB3 LYS A 89 13.992 -6.131 6.163 1.00 0.00 H new ATOM 0 HG2 LYS A 89 15.908 -6.731 5.128 1.00 0.00 H new ATOM 0 HG3 LYS A 89 16.207 -5.108 4.538 1.00 0.00 H new ATOM 0 HD2 LYS A 89 16.571 -5.426 7.465 1.00 0.00 H new ATOM 0 HD3 LYS A 89 17.678 -6.377 6.495 1.00 0.00 H new ATOM 0 HE2 LYS A 89 17.927 -4.086 5.139 1.00 0.00 H new ATOM 0 HE3 LYS A 89 17.369 -3.389 6.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 19.774 -3.510 6.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 19.180 -4.516 7.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 19.721 -5.192 6.346 1.00 0.00 H new ATOM 1312 N PHE A 90 11.525 -5.132 4.641 1.00 0.00 N ATOM 1313 CA PHE A 90 10.095 -5.195 4.955 1.00 0.00 C ATOM 1314 C PHE A 90 9.580 -6.622 4.952 1.00 0.00 C ATOM 1315 O PHE A 90 10.127 -7.489 4.271 1.00 0.00 O ATOM 1316 CB PHE A 90 9.239 -4.436 3.930 1.00 0.00 C ATOM 1317 CG PHE A 90 9.504 -2.971 3.781 1.00 0.00 C ATOM 1318 CD1 PHE A 90 10.265 -2.270 4.694 1.00 0.00 C ATOM 1319 CD2 PHE A 90 8.954 -2.297 2.714 1.00 0.00 C ATOM 1320 CE1 PHE A 90 10.479 -0.913 4.543 1.00 0.00 C ATOM 1321 CE2 PHE A 90 9.158 -0.938 2.552 1.00 0.00 C ATOM 1322 CZ PHE A 90 9.924 -0.246 3.470 1.00 0.00 C ATOM 0 H PHE A 90 11.819 -5.738 3.875 1.00 0.00 H new ATOM 0 HA PHE A 90 10.007 -4.744 5.943 1.00 0.00 H new ATOM 0 HB2 PHE A 90 9.378 -4.907 2.957 1.00 0.00 H new ATOM 0 HB3 PHE A 90 8.191 -4.566 4.200 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.699 -2.788 5.537 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.356 -2.836 1.994 1.00 0.00 H new ATOM 0 HE1 PHE A 90 11.079 -0.376 5.263 1.00 0.00 H new ATOM 0 HE2 PHE A 90 8.720 -0.420 1.711 1.00 0.00 H new ATOM 0 HZ PHE A 90 10.088 0.814 3.348 1.00 0.00 H new ATOM 1332 N ALA A 91 8.473 -6.836 5.649 1.00 0.00 N ATOM 1333 CA ALA A 91 7.803 -8.121 5.675 1.00 0.00 C ATOM 1334 C ALA A 91 6.383 -7.818 5.235 1.00 0.00 C ATOM 1335 O ALA A 91 5.612 -7.192 5.960 1.00 0.00 O ATOM 1336 CB ALA A 91 7.836 -8.738 7.067 1.00 0.00 C ATOM 0 H ALA A 91 8.016 -6.119 6.213 1.00 0.00 H new ATOM 0 HA ALA A 91 8.287 -8.851 5.026 1.00 0.00 H new ATOM 0 HB1 ALA A 91 7.325 -9.701 7.051 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.871 -8.882 7.377 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.336 -8.074 7.771 1.00 0.00 H new ATOM 1342 N ILE A 92 6.097 -8.162 3.990 1.00 0.00 N ATOM 1343 CA ILE A 92 4.828 -7.817 3.371 1.00 0.00 C ATOM 1344 C ILE A 92 3.807 -8.948 3.299 1.00 0.00 C ATOM 1345 O ILE A 92 4.134 -10.131 3.366 1.00 0.00 O ATOM 1346 CB ILE A 92 5.092 -7.325 1.935 1.00 0.00 C ATOM 1347 CG1 ILE A 92 6.195 -6.254 1.937 1.00 0.00 C ATOM 1348 CG2 ILE A 92 3.811 -6.821 1.288 1.00 0.00 C ATOM 1349 CD1 ILE A 92 6.172 -5.322 0.746 1.00 0.00 C ATOM 0 H ILE A 92 6.731 -8.683 3.385 1.00 0.00 H new ATOM 0 HA ILE A 92 4.393 -7.051 4.013 1.00 0.00 H new ATOM 0 HB ILE A 92 5.443 -8.164 1.334 1.00 0.00 H new ATOM 0 HG12 ILE A 92 6.105 -5.661 2.847 1.00 0.00 H new ATOM 0 HG13 ILE A 92 7.165 -6.750 1.974 1.00 0.00 H new ATOM 0 HG21 ILE A 92 4.025 -6.480 0.275 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.080 -7.628 1.252 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.409 -5.993 1.873 1.00 0.00 H new ATOM 0 HD11 ILE A 92 6.985 -4.601 0.833 1.00 0.00 H new ATOM 0 HD12 ILE A 92 6.295 -5.899 -0.170 1.00 0.00 H new ATOM 0 HD13 ILE A 92 5.219 -4.793 0.716 1.00 0.00 H new ATOM 1361 N ASN A 93 2.559 -8.535 3.107 1.00 0.00 N ATOM 1362 CA ASN A 93 1.434 -9.443 2.949 1.00 0.00 C ATOM 1363 C ASN A 93 0.566 -8.952 1.789 1.00 0.00 C ATOM 1364 O ASN A 93 -0.152 -7.961 1.920 1.00 0.00 O ATOM 1365 CB ASN A 93 0.613 -9.514 4.238 1.00 0.00 C ATOM 1366 CG ASN A 93 -0.550 -10.482 4.143 1.00 0.00 C ATOM 1367 OD1 ASN A 93 -0.507 -11.577 4.703 1.00 0.00 O ATOM 1368 ND2 ASN A 93 -1.601 -10.083 3.435 1.00 0.00 N ATOM 0 H ASN A 93 2.300 -7.550 3.057 1.00 0.00 H new ATOM 0 HA ASN A 93 1.803 -10.446 2.734 1.00 0.00 H new ATOM 0 HB2 ASN A 93 1.262 -9.813 5.061 1.00 0.00 H new ATOM 0 HB3 ASN A 93 0.234 -8.520 4.477 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -2.413 -10.693 3.340 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -1.596 -9.167 2.987 1.00 0.00 H new ATOM 1375 N LEU A 94 0.659 -9.625 0.646 1.00 0.00 N ATOM 1376 CA LEU A 94 -0.095 -9.231 -0.545 1.00 0.00 C ATOM 1377 C LEU A 94 -1.598 -9.358 -0.344 1.00 0.00 C ATOM 1378 O LEU A 94 -2.057 -10.115 0.511 1.00 0.00 O ATOM 1379 CB LEU A 94 0.337 -10.072 -1.744 1.00 0.00 C ATOM 1380 CG LEU A 94 -0.109 -9.539 -3.106 1.00 0.00 C ATOM 1381 CD1 LEU A 94 0.612 -8.240 -3.429 1.00 0.00 C ATOM 1382 CD2 LEU A 94 0.143 -10.576 -4.190 1.00 0.00 C ATOM 0 H LEU A 94 1.249 -10.447 0.517 1.00 0.00 H new ATOM 0 HA LEU A 94 0.126 -8.180 -0.732 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.424 -10.150 -1.740 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.055 -11.081 -1.620 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.179 -9.337 -3.067 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.283 -7.874 -4.402 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.383 -7.497 -2.665 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.687 -8.417 -3.452 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.180 -10.181 -5.153 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.207 -10.808 -4.231 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.418 -11.483 -3.963 1.00 0.00 H new ATOM 1394 N LYS A 95 -2.361 -8.613 -1.144 1.00 0.00 N ATOM 1395 CA LYS A 95 -3.813 -8.647 -1.059 1.00 0.00 C ATOM 1396 C LYS A 95 -4.456 -8.348 -2.422 1.00 0.00 C ATOM 1397 O LYS A 95 -4.386 -9.167 -3.335 1.00 0.00 O ATOM 1398 CB LYS A 95 -4.302 -7.673 0.021 1.00 0.00 C ATOM 1399 CG LYS A 95 -3.624 -7.868 1.368 1.00 0.00 C ATOM 1400 CD LYS A 95 -4.132 -6.872 2.396 1.00 0.00 C ATOM 1401 CE LYS A 95 -5.597 -7.111 2.727 1.00 0.00 C ATOM 1402 NZ LYS A 95 -5.820 -7.262 4.191 1.00 0.00 N ATOM 0 H LYS A 95 -1.994 -7.981 -1.856 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.121 -9.653 -0.774 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -4.131 -6.651 -0.318 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -5.378 -7.791 0.145 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -3.803 -8.883 1.723 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -2.546 -7.756 1.253 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -3.535 -6.949 3.305 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -4.004 -5.858 2.016 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -6.194 -6.279 2.353 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -5.943 -8.008 2.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -6.831 -7.423 4.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -5.271 -8.072 4.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -5.514 -6.397 4.680 1.00 0.00 H new ATOM 1416 N LYS A 96 -5.120 -7.200 -2.549 1.00 0.00 N ATOM 1417 CA LYS A 96 -5.806 -6.854 -3.786 1.00 0.00 C ATOM 1418 C LYS A 96 -4.849 -6.490 -4.917 1.00 0.00 C ATOM 1419 O LYS A 96 -4.315 -5.382 -4.964 1.00 0.00 O ATOM 1420 CB LYS A 96 -6.775 -5.696 -3.542 1.00 0.00 C ATOM 1421 CG LYS A 96 -8.200 -6.146 -3.268 1.00 0.00 C ATOM 1422 CD LYS A 96 -8.542 -6.048 -1.791 1.00 0.00 C ATOM 1423 CE LYS A 96 -9.670 -6.996 -1.420 1.00 0.00 C ATOM 1424 NZ LYS A 96 -10.117 -6.803 -0.014 1.00 0.00 N ATOM 0 H LYS A 96 -5.196 -6.499 -1.812 1.00 0.00 H new ATOM 0 HA LYS A 96 -6.352 -7.744 -4.100 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.419 -5.107 -2.697 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.771 -5.039 -4.412 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.893 -5.533 -3.844 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -8.329 -7.175 -3.605 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -7.659 -6.280 -1.195 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -8.830 -5.025 -1.550 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -10.512 -6.839 -2.094 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -9.339 -8.025 -1.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -10.887 -7.468 0.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -9.320 -6.978 0.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -10.457 -5.828 0.112 1.00 0.00 H new ATOM 1438 N VAL A 97 -4.675 -7.425 -5.847 1.00 0.00 N ATOM 1439 CA VAL A 97 -3.826 -7.223 -7.017 1.00 0.00 C ATOM 1440 C VAL A 97 -4.696 -7.092 -8.271 1.00 0.00 C ATOM 1441 O VAL A 97 -5.374 -8.040 -8.663 1.00 0.00 O ATOM 1442 CB VAL A 97 -2.831 -8.398 -7.189 1.00 0.00 C ATOM 1443 CG1 VAL A 97 -3.505 -9.742 -6.916 1.00 0.00 C ATOM 1444 CG2 VAL A 97 -2.208 -8.383 -8.580 1.00 0.00 C ATOM 0 H VAL A 97 -5.118 -8.343 -5.811 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.253 -6.307 -6.872 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.036 -8.267 -6.455 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.780 -10.546 -7.045 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.886 -9.757 -5.895 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -4.331 -9.883 -7.613 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.513 -9.217 -8.676 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.993 -8.475 -9.331 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.672 -7.446 -8.729 1.00 0.00 H new ATOM 1454 N GLU A 98 -4.688 -5.909 -8.885 1.00 0.00 N ATOM 1455 CA GLU A 98 -5.495 -5.659 -10.082 1.00 0.00 C ATOM 1456 C GLU A 98 -4.743 -4.781 -11.090 1.00 0.00 C ATOM 1457 O GLU A 98 -3.730 -4.173 -10.750 1.00 0.00 O ATOM 1458 CB GLU A 98 -6.815 -4.998 -9.681 1.00 0.00 C ATOM 1459 CG GLU A 98 -7.585 -5.767 -8.615 1.00 0.00 C ATOM 1460 CD GLU A 98 -8.634 -4.917 -7.922 1.00 0.00 C ATOM 1461 OE1 GLU A 98 -8.255 -4.093 -7.062 1.00 0.00 O ATOM 1462 OE2 GLU A 98 -9.832 -5.078 -8.235 1.00 0.00 O ATOM 0 H GLU A 98 -4.134 -5.110 -8.576 1.00 0.00 H new ATOM 0 HA GLU A 98 -5.699 -6.614 -10.565 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.611 -3.992 -9.315 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.443 -4.894 -10.566 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.068 -6.630 -9.073 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -6.885 -6.150 -7.872 1.00 0.00 H new ATOM 1469 N GLU A 99 -5.238 -4.732 -12.336 1.00 0.00 N ATOM 1470 CA GLU A 99 -4.595 -3.945 -13.401 1.00 0.00 C ATOM 1471 C GLU A 99 -5.154 -2.530 -13.504 1.00 0.00 C ATOM 1472 O GLU A 99 -6.129 -2.291 -14.214 1.00 0.00 O ATOM 1473 CB GLU A 99 -4.754 -4.637 -14.758 1.00 0.00 C ATOM 1474 CG GLU A 99 -4.028 -3.923 -15.890 1.00 0.00 C ATOM 1475 CD GLU A 99 -4.919 -3.662 -17.089 1.00 0.00 C ATOM 1476 OE1 GLU A 99 -5.785 -2.767 -17.002 1.00 0.00 O ATOM 1477 OE2 GLU A 99 -4.749 -4.352 -18.116 1.00 0.00 O ATOM 0 H GLU A 99 -6.080 -5.227 -12.631 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.541 -3.877 -13.134 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -4.379 -5.658 -14.683 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -5.814 -4.704 -15.001 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -3.635 -2.975 -15.522 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -3.173 -4.523 -16.202 1.00 0.00 H new ATOM 1484 N ARG A 100 -4.508 -1.591 -12.825 1.00 0.00 N ATOM 1485 CA ARG A 100 -4.927 -0.194 -12.865 1.00 0.00 C ATOM 1486 C ARG A 100 -4.670 0.409 -14.243 1.00 0.00 C ATOM 1487 O ARG A 100 -3.591 0.243 -14.810 1.00 0.00 O ATOM 1488 CB ARG A 100 -4.183 0.607 -11.798 1.00 0.00 C ATOM 1489 CG ARG A 100 -2.677 0.672 -12.017 1.00 0.00 C ATOM 1490 CD ARG A 100 -2.183 2.109 -12.088 1.00 0.00 C ATOM 1491 NE ARG A 100 -1.894 2.521 -13.462 1.00 0.00 N ATOM 1492 CZ ARG A 100 -0.667 2.719 -13.943 1.00 0.00 C ATOM 1493 NH1 ARG A 100 0.401 2.542 -13.172 1.00 0.00 N ATOM 1494 NH2 ARG A 100 -0.505 3.094 -15.204 1.00 0.00 N ATOM 0 H ARG A 100 -3.692 -1.770 -12.240 1.00 0.00 H new ATOM 0 HA ARG A 100 -5.997 -0.151 -12.664 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -4.581 1.621 -11.775 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -4.380 0.165 -10.822 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -2.168 0.151 -11.206 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -2.420 0.152 -12.940 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -2.935 2.773 -11.661 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -1.284 2.214 -11.481 1.00 0.00 H new ATOM 0 HE ARG A 100 -2.683 2.666 -14.092 1.00 0.00 H new ATOM 0 HH11 ARG A 100 0.287 2.252 -12.201 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.335 2.697 -13.551 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -1.318 3.230 -15.804 1.00 0.00 H new ATOM 0 HH22 ARG A 100 0.433 3.246 -15.574 1.00 0.00 H new