USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 424 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 36 ASN : amide:sc= -2 K(o=-3.5,f=-20!) USER MOD Set 1.2: A 39 THR OG1 : rot 180:sc= -1.47 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -49:sc= -2.95! USER MOD Single : A 23 CYS SG : rot 44:sc= -1.05 USER MOD Single : A 27 THR OG1 : rot -148:sc= -0.375 USER MOD Single : A 35 TYR OH : rot 180:sc= -0.497 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 36:sc= 0.301 USER MOD Single : A 43 MET CE :methyl -165:sc= -2.51! (180deg=-4.08!) USER MOD Single : A 58 LYS NZ :NH3+ 163:sc= -0.0246 (180deg=-0.223) USER MOD Single : A 61 GLN : amide:sc= -0.0778 X(o=-0.078,f=0) USER MOD Single : A 65 HIS : no HD1:sc= -1.05 X(o=-1,f=-0.59) USER MOD ----------------------------------------------------------------- ATOM 120 N PRO A 11 -5.692 -10.331 -6.240 1.00 0.00 N ATOM 121 CA PRO A 11 -6.816 -9.939 -5.384 1.00 0.00 C ATOM 122 C PRO A 11 -7.960 -10.946 -5.433 1.00 0.00 C ATOM 123 O PRO A 11 -8.014 -11.797 -6.321 1.00 0.00 O ATOM 124 CB PRO A 11 -7.259 -8.597 -5.973 1.00 0.00 C ATOM 125 CG PRO A 11 -6.822 -8.645 -7.396 1.00 0.00 C ATOM 126 CD PRO A 11 -5.553 -9.451 -7.413 1.00 0.00 C ATOM 0 HA PRO A 11 -6.529 -9.885 -4.334 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -8.338 -8.467 -5.895 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -6.798 -7.762 -5.445 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.585 -9.106 -8.023 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -6.652 -7.641 -7.786 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.453 -10.023 -8.335 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.672 -8.814 -7.336 1.00 0.00 H new ATOM 134 N VAL A 12 -8.875 -10.843 -4.474 1.00 0.00 N ATOM 135 CA VAL A 12 -10.019 -11.744 -4.409 1.00 0.00 C ATOM 136 C VAL A 12 -11.330 -10.977 -4.534 1.00 0.00 C ATOM 137 O VAL A 12 -12.380 -11.561 -4.801 1.00 0.00 O ATOM 138 CB VAL A 12 -10.029 -12.545 -3.093 1.00 0.00 C ATOM 139 CG1 VAL A 12 -8.823 -13.470 -3.022 1.00 0.00 C ATOM 140 CG2 VAL A 12 -10.062 -11.605 -1.898 1.00 0.00 C ATOM 0 H VAL A 12 -8.846 -10.144 -3.731 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.925 -12.436 -5.246 1.00 0.00 H new ATOM 0 HB VAL A 12 -10.929 -13.159 -3.068 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.847 -14.028 -2.086 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.849 -14.167 -3.860 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.908 -12.879 -3.069 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.069 -12.188 -0.977 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.181 -10.964 -1.915 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.960 -10.989 -1.944 1.00 0.00 H new ATOM 150 N ALA A 13 -11.262 -9.664 -4.340 1.00 0.00 N ATOM 151 CA ALA A 13 -12.443 -8.815 -4.434 1.00 0.00 C ATOM 152 C ALA A 13 -12.056 -7.359 -4.668 1.00 0.00 C ATOM 153 O ALA A 13 -11.003 -6.905 -4.220 1.00 0.00 O ATOM 154 CB ALA A 13 -13.286 -8.943 -3.173 1.00 0.00 C ATOM 0 H ALA A 13 -10.401 -9.165 -4.117 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.033 -9.148 -5.288 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -14.165 -8.304 -3.256 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -13.601 -9.979 -3.050 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -12.696 -8.638 -2.309 1.00 0.00 H new ATOM 160 N THR A 14 -12.914 -6.630 -5.375 1.00 0.00 N ATOM 161 CA THR A 14 -12.661 -5.226 -5.671 1.00 0.00 C ATOM 162 C THR A 14 -13.947 -4.410 -5.606 1.00 0.00 C ATOM 163 O THR A 14 -14.894 -4.666 -6.349 1.00 0.00 O ATOM 164 CB THR A 14 -12.026 -5.051 -7.064 1.00 0.00 C ATOM 165 OG1 THR A 14 -10.934 -5.965 -7.222 1.00 0.00 O ATOM 166 CG2 THR A 14 -11.532 -3.625 -7.258 1.00 0.00 C ATOM 0 H THR A 14 -13.790 -6.989 -5.753 1.00 0.00 H new ATOM 0 HA THR A 14 -11.965 -4.864 -4.914 1.00 0.00 H new ATOM 0 HB THR A 14 -12.787 -5.260 -7.816 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.536 -5.849 -8.110 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.088 -3.525 -8.248 1.00 0.00 H new ATOM 0 HG22 THR A 14 -12.370 -2.934 -7.165 1.00 0.00 H new ATOM 0 HG23 THR A 14 -10.784 -3.393 -6.500 1.00 0.00 H new ATOM 174 N ALA A 15 -13.973 -3.425 -4.714 1.00 0.00 N ATOM 175 CA ALA A 15 -15.142 -2.569 -4.555 1.00 0.00 C ATOM 176 C ALA A 15 -14.755 -1.095 -4.608 1.00 0.00 C ATOM 177 O ALA A 15 -13.920 -0.619 -3.838 1.00 0.00 O ATOM 178 CB ALA A 15 -15.851 -2.883 -3.246 1.00 0.00 C ATOM 0 H ALA A 15 -13.198 -3.200 -4.091 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.823 -2.769 -5.382 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.722 -2.237 -3.140 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.170 -3.925 -3.246 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.169 -2.713 -2.413 1.00 0.00 H new ATOM 184 N PRO A 16 -15.373 -0.353 -5.539 1.00 0.00 N ATOM 185 CA PRO A 16 -15.109 1.078 -5.715 1.00 0.00 C ATOM 186 C PRO A 16 -15.641 1.913 -4.555 1.00 0.00 C ATOM 187 O PRO A 16 -16.827 1.851 -4.227 1.00 0.00 O ATOM 188 CB PRO A 16 -15.855 1.420 -7.007 1.00 0.00 C ATOM 189 CG PRO A 16 -16.938 0.401 -7.100 1.00 0.00 C ATOM 190 CD PRO A 16 -16.379 -0.855 -6.491 1.00 0.00 C ATOM 0 HA PRO A 16 -14.041 1.294 -5.753 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -16.264 2.430 -6.973 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -15.192 1.373 -7.871 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -17.830 0.730 -6.567 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -17.230 0.235 -8.137 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -17.152 -1.437 -5.989 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -15.931 -1.503 -7.245 1.00 0.00 H new ATOM 198 N ILE A 17 -14.759 2.692 -3.939 1.00 0.00 N ATOM 199 CA ILE A 17 -15.142 3.540 -2.817 1.00 0.00 C ATOM 200 C ILE A 17 -15.938 4.751 -3.290 1.00 0.00 C ATOM 201 O ILE A 17 -15.605 5.394 -4.286 1.00 0.00 O ATOM 202 CB ILE A 17 -13.909 4.025 -2.032 1.00 0.00 C ATOM 203 CG1 ILE A 17 -13.151 2.833 -1.443 1.00 0.00 C ATOM 204 CG2 ILE A 17 -14.327 4.990 -0.933 1.00 0.00 C ATOM 205 CD1 ILE A 17 -12.253 3.202 -0.283 1.00 0.00 C ATOM 0 H ILE A 17 -13.774 2.754 -4.198 1.00 0.00 H new ATOM 0 HA ILE A 17 -15.765 2.933 -2.160 1.00 0.00 H new ATOM 0 HB ILE A 17 -13.244 4.551 -2.717 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -13.870 2.083 -1.112 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -12.549 2.373 -2.226 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -13.445 5.324 -0.387 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -14.827 5.851 -1.376 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -15.009 4.487 -0.247 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -11.748 2.309 0.084 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -11.511 3.929 -0.614 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -12.852 3.635 0.518 1.00 0.00 H new ATOM 217 N PRO A 18 -17.015 5.073 -2.559 1.00 0.00 N ATOM 218 CA PRO A 18 -17.881 6.211 -2.884 1.00 0.00 C ATOM 219 C PRO A 18 -17.193 7.550 -2.639 1.00 0.00 C ATOM 220 O PRO A 18 -16.464 7.716 -1.662 1.00 0.00 O ATOM 221 CB PRO A 18 -19.067 6.038 -1.931 1.00 0.00 C ATOM 222 CG PRO A 18 -18.520 5.262 -0.783 1.00 0.00 C ATOM 223 CD PRO A 18 -17.471 4.352 -1.360 1.00 0.00 C ATOM 0 HA PRO A 18 -18.161 6.223 -3.937 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -19.458 7.002 -1.607 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -19.888 5.507 -2.413 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -18.091 5.926 -0.033 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -19.305 4.689 -0.290 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -16.655 4.184 -0.658 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -17.882 3.374 -1.611 1.00 0.00 H new ATOM 231 N GLY A 19 -17.431 8.505 -3.534 1.00 0.00 N ATOM 232 CA GLY A 19 -16.827 9.817 -3.397 1.00 0.00 C ATOM 233 C GLY A 19 -15.391 9.848 -3.882 1.00 0.00 C ATOM 234 O GLY A 19 -15.015 10.707 -4.680 1.00 0.00 O ATOM 0 H GLY A 19 -18.031 8.393 -4.351 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -17.413 10.544 -3.960 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -16.861 10.122 -2.351 1.00 0.00 H new ATOM 238 N THR A 20 -14.584 8.910 -3.397 1.00 0.00 N ATOM 239 CA THR A 20 -13.181 8.835 -3.783 1.00 0.00 C ATOM 240 C THR A 20 -12.968 7.802 -4.884 1.00 0.00 C ATOM 241 O THR A 20 -13.638 6.771 -4.939 1.00 0.00 O ATOM 242 CB THR A 20 -12.286 8.479 -2.581 1.00 0.00 C ATOM 243 OG1 THR A 20 -12.127 7.058 -2.492 1.00 0.00 O ATOM 244 CG2 THR A 20 -12.883 9.009 -1.286 1.00 0.00 C ATOM 0 H THR A 20 -14.878 8.191 -2.736 1.00 0.00 H new ATOM 0 HA THR A 20 -12.902 9.821 -4.155 1.00 0.00 H new ATOM 0 HB THR A 20 -11.312 8.945 -2.731 1.00 0.00 H new ATOM 0 HG1 THR A 20 -13.005 6.626 -2.551 1.00 0.00 H new ATOM 0 HG21 THR A 20 -12.234 8.745 -0.451 1.00 0.00 H new ATOM 0 HG22 THR A 20 -12.976 10.093 -1.345 1.00 0.00 H new ATOM 0 HG23 THR A 20 -13.868 8.568 -1.132 1.00 0.00 H new ATOM 252 N PRO A 21 -12.012 8.082 -5.782 1.00 0.00 N ATOM 253 CA PRO A 21 -11.688 7.189 -6.898 1.00 0.00 C ATOM 254 C PRO A 21 -11.012 5.903 -6.434 1.00 0.00 C ATOM 255 O PRO A 21 -10.721 5.018 -7.238 1.00 0.00 O ATOM 256 CB PRO A 21 -10.728 8.020 -7.751 1.00 0.00 C ATOM 257 CG PRO A 21 -10.113 8.986 -6.797 1.00 0.00 C ATOM 258 CD PRO A 21 -11.174 9.293 -5.778 1.00 0.00 C ATOM 0 HA PRO A 21 -12.581 6.864 -7.432 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -9.971 7.392 -8.221 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -11.256 8.537 -8.552 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.229 8.558 -6.324 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -9.792 9.892 -7.311 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -10.744 9.481 -4.794 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -11.747 10.179 -6.050 1.00 0.00 H new ATOM 266 N TRP A 22 -10.764 5.808 -5.132 1.00 0.00 N ATOM 267 CA TRP A 22 -10.122 4.629 -4.561 1.00 0.00 C ATOM 268 C TRP A 22 -11.066 3.432 -4.579 1.00 0.00 C ATOM 269 O TRP A 22 -12.283 3.588 -4.466 1.00 0.00 O ATOM 270 CB TRP A 22 -9.667 4.915 -3.129 1.00 0.00 C ATOM 271 CG TRP A 22 -8.489 5.838 -3.053 1.00 0.00 C ATOM 272 CD1 TRP A 22 -8.520 7.194 -2.889 1.00 0.00 C ATOM 273 CD2 TRP A 22 -7.107 5.474 -3.140 1.00 0.00 C ATOM 274 NE1 TRP A 22 -7.241 7.694 -2.869 1.00 0.00 N ATOM 275 CE2 TRP A 22 -6.356 6.660 -3.020 1.00 0.00 C ATOM 276 CE3 TRP A 22 -6.432 4.263 -3.306 1.00 0.00 C ATOM 277 CZ2 TRP A 22 -4.964 6.666 -3.062 1.00 0.00 C ATOM 278 CZ3 TRP A 22 -5.051 4.270 -3.348 1.00 0.00 C ATOM 279 CH2 TRP A 22 -4.329 5.465 -3.226 1.00 0.00 C ATOM 0 H TRP A 22 -10.997 6.532 -4.453 1.00 0.00 H new ATOM 0 HA TRP A 22 -9.251 4.389 -5.171 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -10.497 5.350 -2.572 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -9.414 3.974 -2.641 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -9.418 7.786 -2.790 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -6.991 8.677 -2.759 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -6.980 3.337 -3.400 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -4.406 7.586 -2.968 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -4.519 3.339 -3.477 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -3.250 5.437 -3.262 1.00 0.00 H new ATOM 290 N CYS A 23 -10.500 2.239 -4.720 1.00 0.00 N ATOM 291 CA CYS A 23 -11.292 1.015 -4.753 1.00 0.00 C ATOM 292 C CYS A 23 -10.716 -0.031 -3.805 1.00 0.00 C ATOM 293 O CYS A 23 -9.584 -0.484 -3.978 1.00 0.00 O ATOM 294 CB CYS A 23 -11.348 0.457 -6.176 1.00 0.00 C ATOM 295 SG CYS A 23 -12.001 1.617 -7.399 1.00 0.00 S ATOM 0 H CYS A 23 -9.495 2.093 -4.813 1.00 0.00 H new ATOM 0 HA CYS A 23 -12.303 1.257 -4.426 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -10.344 0.156 -6.476 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -11.965 -0.442 -6.178 1.00 0.00 H new ATOM 0 HG CYS A 23 -11.475 2.791 -7.208 1.00 0.00 H new ATOM 301 N VAL A 24 -11.501 -0.410 -2.802 1.00 0.00 N ATOM 302 CA VAL A 24 -11.069 -1.403 -1.825 1.00 0.00 C ATOM 303 C VAL A 24 -10.895 -2.772 -2.474 1.00 0.00 C ATOM 304 O VAL A 24 -11.863 -3.383 -2.928 1.00 0.00 O ATOM 305 CB VAL A 24 -12.073 -1.521 -0.663 1.00 0.00 C ATOM 306 CG1 VAL A 24 -11.647 -2.618 0.301 1.00 0.00 C ATOM 307 CG2 VAL A 24 -12.211 -0.189 0.058 1.00 0.00 C ATOM 0 H VAL A 24 -12.440 -0.044 -2.644 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.110 -1.065 -1.433 1.00 0.00 H new ATOM 0 HB VAL A 24 -13.047 -1.789 -1.072 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -12.368 -2.687 1.115 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -11.604 -3.570 -0.227 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -10.663 -2.384 0.707 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -12.924 -0.290 0.876 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -11.242 0.111 0.456 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -12.566 0.568 -0.641 1.00 0.00 H new ATOM 317 N VAL A 25 -9.655 -3.249 -2.512 1.00 0.00 N ATOM 318 CA VAL A 25 -9.354 -4.547 -3.104 1.00 0.00 C ATOM 319 C VAL A 25 -8.757 -5.496 -2.070 1.00 0.00 C ATOM 320 O VAL A 25 -7.714 -5.212 -1.481 1.00 0.00 O ATOM 321 CB VAL A 25 -8.376 -4.412 -4.286 1.00 0.00 C ATOM 322 CG1 VAL A 25 -8.026 -5.781 -4.849 1.00 0.00 C ATOM 323 CG2 VAL A 25 -8.965 -3.517 -5.365 1.00 0.00 C ATOM 0 H VAL A 25 -8.843 -2.756 -2.140 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.297 -4.956 -3.468 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.458 -3.949 -3.924 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.334 -5.665 -5.683 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.559 -6.386 -4.072 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.934 -6.275 -5.196 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.261 -3.433 -6.192 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.899 -3.948 -5.726 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.159 -2.527 -4.951 1.00 0.00 H new ATOM 333 N TRP A 26 -9.425 -6.624 -1.856 1.00 0.00 N ATOM 334 CA TRP A 26 -8.960 -7.616 -0.893 1.00 0.00 C ATOM 335 C TRP A 26 -7.929 -8.545 -1.524 1.00 0.00 C ATOM 336 O TRP A 26 -7.745 -8.550 -2.742 1.00 0.00 O ATOM 337 CB TRP A 26 -10.140 -8.430 -0.359 1.00 0.00 C ATOM 338 CG TRP A 26 -11.013 -7.662 0.586 1.00 0.00 C ATOM 339 CD1 TRP A 26 -10.969 -7.694 1.951 1.00 0.00 C ATOM 340 CD2 TRP A 26 -12.060 -6.750 0.237 1.00 0.00 C ATOM 341 NE1 TRP A 26 -11.926 -6.856 2.471 1.00 0.00 N ATOM 342 CE2 TRP A 26 -12.608 -6.265 1.441 1.00 0.00 C ATOM 343 CE3 TRP A 26 -12.586 -6.294 -0.974 1.00 0.00 C ATOM 344 CZ2 TRP A 26 -13.656 -5.349 1.465 1.00 0.00 C ATOM 345 CZ3 TRP A 26 -13.626 -5.385 -0.949 1.00 0.00 C ATOM 346 CH2 TRP A 26 -14.152 -4.919 0.264 1.00 0.00 C ATOM 0 H TRP A 26 -10.290 -6.874 -2.336 1.00 0.00 H new ATOM 0 HA TRP A 26 -8.487 -7.089 -0.064 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -10.743 -8.776 -1.199 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -9.760 -9.317 0.148 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -10.283 -8.290 2.535 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -12.100 -6.699 3.464 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -12.187 -6.646 -1.914 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -14.063 -4.990 2.399 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -14.041 -5.027 -1.880 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -14.964 -4.207 0.251 1.00 0.00 H new ATOM 357 N THR A 27 -7.258 -9.332 -0.689 1.00 0.00 N ATOM 358 CA THR A 27 -6.245 -10.265 -1.165 1.00 0.00 C ATOM 359 C THR A 27 -6.460 -11.656 -0.581 1.00 0.00 C ATOM 360 O THR A 27 -7.320 -11.854 0.277 1.00 0.00 O ATOM 361 CB THR A 27 -4.826 -9.784 -0.807 1.00 0.00 C ATOM 362 OG1 THR A 27 -4.771 -9.406 0.573 1.00 0.00 O ATOM 363 CG2 THR A 27 -4.418 -8.606 -1.678 1.00 0.00 C ATOM 0 H THR A 27 -7.398 -9.342 0.321 1.00 0.00 H new ATOM 0 HA THR A 27 -6.343 -10.311 -2.250 1.00 0.00 H new ATOM 0 HB THR A 27 -4.132 -10.605 -0.986 1.00 0.00 H new ATOM 0 HG1 THR A 27 -4.125 -8.678 0.687 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.413 -8.284 -1.407 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.433 -8.906 -2.726 1.00 0.00 H new ATOM 0 HG23 THR A 27 -5.116 -7.783 -1.527 1.00 0.00 H new ATOM 371 N GLY A 28 -5.673 -12.619 -1.051 1.00 0.00 N ATOM 372 CA GLY A 28 -5.794 -13.981 -0.563 1.00 0.00 C ATOM 373 C GLY A 28 -5.197 -14.156 0.819 1.00 0.00 C ATOM 374 O GLY A 28 -5.509 -15.119 1.520 1.00 0.00 O ATOM 0 H GLY A 28 -4.954 -12.481 -1.761 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.847 -14.263 -0.539 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.298 -14.658 -1.258 1.00 0.00 H new ATOM 378 N ASP A 29 -4.335 -13.224 1.212 1.00 0.00 N ATOM 379 CA ASP A 29 -3.692 -13.280 2.520 1.00 0.00 C ATOM 380 C ASP A 29 -4.507 -12.518 3.559 1.00 0.00 C ATOM 381 O ASP A 29 -3.964 -11.726 4.328 1.00 0.00 O ATOM 382 CB ASP A 29 -2.277 -12.705 2.441 1.00 0.00 C ATOM 383 CG ASP A 29 -1.344 -13.321 3.466 1.00 0.00 C ATOM 384 OD1 ASP A 29 -1.700 -13.329 4.663 1.00 0.00 O ATOM 385 OD2 ASP A 29 -0.259 -13.794 3.070 1.00 0.00 O ATOM 0 H ASP A 29 -4.066 -12.421 0.644 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.635 -14.325 2.825 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -1.875 -12.872 1.442 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.317 -11.626 2.592 1.00 0.00 H new ATOM 390 N GLU A 30 -5.814 -12.762 3.575 1.00 0.00 N ATOM 391 CA GLU A 30 -6.704 -12.096 4.519 1.00 0.00 C ATOM 392 C GLU A 30 -6.303 -10.636 4.707 1.00 0.00 C ATOM 393 O GLU A 30 -6.270 -10.130 5.828 1.00 0.00 O ATOM 394 CB GLU A 30 -6.686 -12.819 5.867 1.00 0.00 C ATOM 395 CG GLU A 30 -7.216 -14.241 5.803 1.00 0.00 C ATOM 396 CD GLU A 30 -6.933 -15.028 7.068 1.00 0.00 C ATOM 397 OE1 GLU A 30 -7.639 -14.808 8.074 1.00 0.00 O ATOM 398 OE2 GLU A 30 -6.004 -15.863 7.051 1.00 0.00 O ATOM 0 H GLU A 30 -6.280 -13.416 2.945 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.714 -12.128 4.111 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.664 -12.838 6.246 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.280 -12.251 6.582 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.292 -14.216 5.628 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.767 -14.754 4.953 1.00 0.00 H new ATOM 405 N ARG A 31 -5.999 -9.965 3.600 1.00 0.00 N ATOM 406 CA ARG A 31 -5.599 -8.563 3.643 1.00 0.00 C ATOM 407 C ARG A 31 -6.365 -7.748 2.605 1.00 0.00 C ATOM 408 O ARG A 31 -7.086 -8.300 1.775 1.00 0.00 O ATOM 409 CB ARG A 31 -4.094 -8.433 3.400 1.00 0.00 C ATOM 410 CG ARG A 31 -3.263 -8.521 4.669 1.00 0.00 C ATOM 411 CD ARG A 31 -1.899 -7.874 4.487 1.00 0.00 C ATOM 412 NE ARG A 31 -0.930 -8.795 3.898 1.00 0.00 N ATOM 413 CZ ARG A 31 0.384 -8.608 3.944 1.00 0.00 C ATOM 414 NH1 ARG A 31 0.884 -7.539 4.548 1.00 0.00 N ATOM 415 NH2 ARG A 31 1.202 -9.491 3.386 1.00 0.00 N ATOM 0 H ARG A 31 -6.022 -10.369 2.664 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.835 -8.173 4.633 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.776 -9.217 2.713 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.894 -7.480 2.910 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.793 -8.032 5.487 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.137 -9.566 4.951 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.997 -6.995 3.850 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.530 -7.528 5.453 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.282 -9.628 3.425 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.259 -6.858 4.979 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.894 -7.398 4.582 1.00 0.00 H new ATOM 0 HH21 ARG A 31 0.822 -10.315 2.921 1.00 0.00 H new ATOM 0 HH22 ARG A 31 2.211 -9.346 3.422 1.00 0.00 H new ATOM 429 N VAL A 32 -6.204 -6.429 2.660 1.00 0.00 N ATOM 430 CA VAL A 32 -6.880 -5.537 1.725 1.00 0.00 C ATOM 431 C VAL A 32 -6.064 -4.271 1.487 1.00 0.00 C ATOM 432 O VAL A 32 -5.444 -3.738 2.407 1.00 0.00 O ATOM 433 CB VAL A 32 -8.279 -5.145 2.235 1.00 0.00 C ATOM 434 CG1 VAL A 32 -8.196 -4.592 3.650 1.00 0.00 C ATOM 435 CG2 VAL A 32 -8.924 -4.137 1.297 1.00 0.00 C ATOM 0 H VAL A 32 -5.612 -5.955 3.342 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.984 -6.081 0.786 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.903 -6.039 2.256 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.194 -4.320 3.994 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.778 -5.350 4.313 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.557 -3.709 3.659 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -9.912 -3.871 1.673 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.304 -3.242 1.242 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.019 -4.574 0.303 1.00 0.00 H new ATOM 445 N PHE A 33 -6.071 -3.795 0.247 1.00 0.00 N ATOM 446 CA PHE A 33 -5.331 -2.591 -0.114 1.00 0.00 C ATOM 447 C PHE A 33 -6.211 -1.629 -0.908 1.00 0.00 C ATOM 448 O PHE A 33 -7.279 -2.003 -1.391 1.00 0.00 O ATOM 449 CB PHE A 33 -4.089 -2.955 -0.929 1.00 0.00 C ATOM 450 CG PHE A 33 -4.405 -3.564 -2.265 1.00 0.00 C ATOM 451 CD1 PHE A 33 -4.756 -4.900 -2.366 1.00 0.00 C ATOM 452 CD2 PHE A 33 -4.352 -2.800 -3.420 1.00 0.00 C ATOM 453 CE1 PHE A 33 -5.049 -5.464 -3.594 1.00 0.00 C ATOM 454 CE2 PHE A 33 -4.644 -3.358 -4.650 1.00 0.00 C ATOM 455 CZ PHE A 33 -4.992 -4.692 -4.737 1.00 0.00 C ATOM 0 H PHE A 33 -6.581 -4.224 -0.525 1.00 0.00 H new ATOM 0 HA PHE A 33 -5.021 -2.096 0.806 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.488 -2.058 -1.081 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.480 -3.654 -0.355 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -4.801 -5.509 -1.475 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -4.079 -1.757 -3.358 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -5.322 -6.507 -3.659 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.600 -2.752 -5.543 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.219 -5.130 -5.698 1.00 0.00 H new ATOM 465 N PHE A 34 -5.753 -0.388 -1.037 1.00 0.00 N ATOM 466 CA PHE A 34 -6.498 0.629 -1.770 1.00 0.00 C ATOM 467 C PHE A 34 -5.893 0.855 -3.152 1.00 0.00 C ATOM 468 O PHE A 34 -4.683 1.041 -3.289 1.00 0.00 O ATOM 469 CB PHE A 34 -6.516 1.943 -0.987 1.00 0.00 C ATOM 470 CG PHE A 34 -6.791 1.764 0.479 1.00 0.00 C ATOM 471 CD1 PHE A 34 -5.822 1.242 1.321 1.00 0.00 C ATOM 472 CD2 PHE A 34 -8.020 2.117 1.014 1.00 0.00 C ATOM 473 CE1 PHE A 34 -6.074 1.075 2.670 1.00 0.00 C ATOM 474 CE2 PHE A 34 -8.277 1.953 2.362 1.00 0.00 C ATOM 475 CZ PHE A 34 -7.302 1.432 3.191 1.00 0.00 C ATOM 0 H PHE A 34 -4.870 -0.063 -0.644 1.00 0.00 H new ATOM 0 HA PHE A 34 -7.521 0.275 -1.894 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -5.555 2.443 -1.110 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -7.274 2.600 -1.413 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.859 0.963 0.919 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -8.785 2.525 0.370 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.311 0.666 3.316 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -9.239 2.232 2.767 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.500 1.304 4.245 1.00 0.00 H new ATOM 485 N TYR A 35 -6.742 0.838 -4.173 1.00 0.00 N ATOM 486 CA TYR A 35 -6.292 1.039 -5.546 1.00 0.00 C ATOM 487 C TYR A 35 -6.977 2.249 -6.173 1.00 0.00 C ATOM 488 O TYR A 35 -8.064 2.646 -5.755 1.00 0.00 O ATOM 489 CB TYR A 35 -6.570 -0.210 -6.384 1.00 0.00 C ATOM 490 CG TYR A 35 -6.404 0.009 -7.871 1.00 0.00 C ATOM 491 CD1 TYR A 35 -5.176 0.379 -8.405 1.00 0.00 C ATOM 492 CD2 TYR A 35 -7.475 -0.153 -8.740 1.00 0.00 C ATOM 493 CE1 TYR A 35 -5.020 0.581 -9.763 1.00 0.00 C ATOM 494 CE2 TYR A 35 -7.328 0.045 -10.100 1.00 0.00 C ATOM 495 CZ TYR A 35 -6.099 0.412 -10.606 1.00 0.00 C ATOM 496 OH TYR A 35 -5.948 0.612 -11.959 1.00 0.00 O ATOM 0 H TYR A 35 -7.746 0.687 -4.076 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.218 1.223 -5.526 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.899 -1.008 -6.066 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.586 -0.551 -6.187 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.329 0.511 -7.748 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -8.439 -0.439 -8.346 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -4.059 0.870 -10.162 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.171 -0.087 -10.762 1.00 0.00 H new ATOM 0 HH TYR A 35 -6.803 0.451 -12.411 1.00 0.00 H new ATOM 506 N ASN A 36 -6.332 2.830 -7.179 1.00 0.00 N ATOM 507 CA ASN A 36 -6.878 3.996 -7.865 1.00 0.00 C ATOM 508 C ASN A 36 -6.771 3.836 -9.379 1.00 0.00 C ATOM 509 O ASN A 36 -5.730 4.094 -9.983 1.00 0.00 O ATOM 510 CB ASN A 36 -6.146 5.264 -7.422 1.00 0.00 C ATOM 511 CG ASN A 36 -6.834 6.527 -7.905 1.00 0.00 C ATOM 512 OD1 ASN A 36 -7.220 6.630 -9.069 1.00 0.00 O ATOM 513 ND2 ASN A 36 -6.988 7.495 -7.009 1.00 0.00 N ATOM 0 H ASN A 36 -5.431 2.513 -7.537 1.00 0.00 H new ATOM 0 HA ASN A 36 -7.932 4.082 -7.600 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.082 5.282 -6.334 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.124 5.242 -7.802 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.442 8.369 -7.275 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.652 7.365 -6.055 1.00 0.00 H new ATOM 520 N PRO A 37 -7.873 3.400 -10.007 1.00 0.00 N ATOM 521 CA PRO A 37 -7.929 3.196 -11.458 1.00 0.00 C ATOM 522 C PRO A 37 -7.890 4.511 -12.229 1.00 0.00 C ATOM 523 O PRO A 37 -7.854 4.520 -13.460 1.00 0.00 O ATOM 524 CB PRO A 37 -9.273 2.493 -11.666 1.00 0.00 C ATOM 525 CG PRO A 37 -10.103 2.911 -10.501 1.00 0.00 C ATOM 526 CD PRO A 37 -9.149 3.072 -9.350 1.00 0.00 C ATOM 0 HA PRO A 37 -7.074 2.627 -11.823 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.734 2.791 -12.608 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.153 1.410 -11.698 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.625 3.845 -10.709 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.864 2.164 -10.276 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -9.467 3.864 -8.672 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -9.074 2.159 -8.760 1.00 0.00 H new ATOM 534 N THR A 38 -7.898 5.621 -11.498 1.00 0.00 N ATOM 535 CA THR A 38 -7.865 6.942 -12.114 1.00 0.00 C ATOM 536 C THR A 38 -6.450 7.509 -12.122 1.00 0.00 C ATOM 537 O THR A 38 -6.077 8.265 -13.020 1.00 0.00 O ATOM 538 CB THR A 38 -8.796 7.926 -11.383 1.00 0.00 C ATOM 539 OG1 THR A 38 -10.131 7.408 -11.353 1.00 0.00 O ATOM 540 CG2 THR A 38 -8.790 9.286 -12.065 1.00 0.00 C ATOM 0 H THR A 38 -7.927 5.632 -10.478 1.00 0.00 H new ATOM 0 HA THR A 38 -8.211 6.821 -13.141 1.00 0.00 H new ATOM 0 HB THR A 38 -8.431 8.047 -10.363 1.00 0.00 H new ATOM 0 HG1 THR A 38 -10.716 8.039 -10.885 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.455 9.964 -11.530 1.00 0.00 H new ATOM 0 HG22 THR A 38 -7.778 9.691 -12.060 1.00 0.00 H new ATOM 0 HG23 THR A 38 -9.132 9.178 -13.094 1.00 0.00 H new ATOM 548 N THR A 39 -5.664 7.140 -11.115 1.00 0.00 N ATOM 549 CA THR A 39 -4.289 7.613 -11.006 1.00 0.00 C ATOM 550 C THR A 39 -3.306 6.448 -11.001 1.00 0.00 C ATOM 551 O THR A 39 -2.135 6.613 -10.658 1.00 0.00 O ATOM 552 CB THR A 39 -4.083 8.449 -9.729 1.00 0.00 C ATOM 553 OG1 THR A 39 -4.448 7.682 -8.576 1.00 0.00 O ATOM 554 CG2 THR A 39 -4.910 9.725 -9.778 1.00 0.00 C ATOM 0 H THR A 39 -5.956 6.515 -10.363 1.00 0.00 H new ATOM 0 HA THR A 39 -4.100 8.241 -11.877 1.00 0.00 H new ATOM 0 HB THR A 39 -3.029 8.720 -9.665 1.00 0.00 H new ATOM 0 HG1 THR A 39 -4.313 8.221 -7.769 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.748 10.299 -8.866 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.609 10.321 -10.640 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.966 9.471 -9.864 1.00 0.00 H new ATOM 562 N ARG A 40 -3.789 5.270 -11.384 1.00 0.00 N ATOM 563 CA ARG A 40 -2.951 4.078 -11.424 1.00 0.00 C ATOM 564 C ARG A 40 -2.061 3.998 -10.187 1.00 0.00 C ATOM 565 O ARG A 40 -0.879 3.661 -10.280 1.00 0.00 O ATOM 566 CB ARG A 40 -2.089 4.075 -12.687 1.00 0.00 C ATOM 567 CG ARG A 40 -2.895 4.148 -13.974 1.00 0.00 C ATOM 568 CD ARG A 40 -2.182 3.444 -15.118 1.00 0.00 C ATOM 569 NE ARG A 40 -2.434 2.006 -15.118 1.00 0.00 N ATOM 570 CZ ARG A 40 -1.833 1.154 -15.942 1.00 0.00 C ATOM 571 NH1 ARG A 40 -0.948 1.594 -16.826 1.00 0.00 N ATOM 572 NH2 ARG A 40 -2.115 -0.141 -15.881 1.00 0.00 N ATOM 0 H ARG A 40 -4.756 5.116 -11.671 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.605 3.206 -11.438 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.402 4.920 -12.650 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.481 3.170 -12.700 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.873 3.693 -13.818 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.067 5.191 -14.238 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.510 3.869 -16.066 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.110 3.624 -15.042 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.108 1.635 -14.449 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.727 2.589 -16.875 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.488 0.938 -17.457 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.794 -0.484 -15.201 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -1.653 -0.794 -16.514 1.00 0.00 H new ATOM 586 N LEU A 41 -2.634 4.309 -9.030 1.00 0.00 N ATOM 587 CA LEU A 41 -1.893 4.273 -7.774 1.00 0.00 C ATOM 588 C LEU A 41 -2.403 3.154 -6.872 1.00 0.00 C ATOM 589 O LEU A 41 -3.611 2.972 -6.716 1.00 0.00 O ATOM 590 CB LEU A 41 -2.007 5.617 -7.053 1.00 0.00 C ATOM 591 CG LEU A 41 -0.874 5.957 -6.084 1.00 0.00 C ATOM 592 CD1 LEU A 41 -0.875 4.997 -4.904 1.00 0.00 C ATOM 593 CD2 LEU A 41 0.468 5.925 -6.799 1.00 0.00 C ATOM 0 H LEU A 41 -3.610 4.589 -8.935 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.845 4.079 -8.005 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.065 6.405 -7.803 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.947 5.632 -6.501 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.036 6.966 -5.705 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.062 5.254 -4.225 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.826 5.070 -4.376 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.738 3.977 -5.264 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.262 6.169 -6.093 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.639 4.929 -7.207 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.466 6.654 -7.610 1.00 0.00 H new ATOM 605 N SER A 42 -1.476 2.409 -6.280 1.00 0.00 N ATOM 606 CA SER A 42 -1.832 1.306 -5.394 1.00 0.00 C ATOM 607 C SER A 42 -0.941 1.295 -4.156 1.00 0.00 C ATOM 608 O SER A 42 0.279 1.174 -4.257 1.00 0.00 O ATOM 609 CB SER A 42 -1.714 -0.028 -6.134 1.00 0.00 C ATOM 610 OG SER A 42 -0.403 -0.217 -6.638 1.00 0.00 O ATOM 0 H SER A 42 -0.472 2.549 -6.397 1.00 0.00 H new ATOM 0 HA SER A 42 -2.865 1.446 -5.075 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.969 -0.845 -5.460 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.430 -0.057 -6.955 1.00 0.00 H new ATOM 0 HG SER A 42 0.247 0.152 -6.005 1.00 0.00 H new ATOM 616 N MET A 43 -1.562 1.422 -2.987 1.00 0.00 N ATOM 617 CA MET A 43 -0.826 1.425 -1.728 1.00 0.00 C ATOM 618 C MET A 43 -1.305 0.301 -0.816 1.00 0.00 C ATOM 619 O MET A 43 -2.457 -0.127 -0.895 1.00 0.00 O ATOM 620 CB MET A 43 -0.985 2.774 -1.023 1.00 0.00 C ATOM 621 CG MET A 43 -0.931 3.964 -1.968 1.00 0.00 C ATOM 622 SD MET A 43 -0.409 5.481 -1.145 1.00 0.00 S ATOM 623 CE MET A 43 -1.087 5.228 0.493 1.00 0.00 C ATOM 0 H MET A 43 -2.572 1.524 -2.886 1.00 0.00 H new ATOM 0 HA MET A 43 0.228 1.263 -1.951 1.00 0.00 H new ATOM 0 HB2 MET A 43 -1.936 2.786 -0.490 1.00 0.00 H new ATOM 0 HB3 MET A 43 -0.199 2.879 -0.275 1.00 0.00 H new ATOM 0 HG2 MET A 43 -0.244 3.743 -2.785 1.00 0.00 H new ATOM 0 HG3 MET A 43 -1.915 4.116 -2.411 1.00 0.00 H new ATOM 0 HE1 MET A 43 -1.086 6.172 1.037 1.00 0.00 H new ATOM 0 HE2 MET A 43 -2.109 4.858 0.411 1.00 0.00 H new ATOM 0 HE3 MET A 43 -0.479 4.499 1.030 1.00 0.00 H new ATOM 633 N TRP A 44 -0.416 -0.172 0.050 1.00 0.00 N ATOM 634 CA TRP A 44 -0.749 -1.247 0.978 1.00 0.00 C ATOM 635 C TRP A 44 -1.407 -0.694 2.238 1.00 0.00 C ATOM 636 O TRP A 44 -1.924 -1.449 3.061 1.00 0.00 O ATOM 637 CB TRP A 44 0.507 -2.037 1.347 1.00 0.00 C ATOM 638 CG TRP A 44 0.804 -3.158 0.398 1.00 0.00 C ATOM 639 CD1 TRP A 44 1.778 -3.184 -0.560 1.00 0.00 C ATOM 640 CD2 TRP A 44 0.122 -4.414 0.313 1.00 0.00 C ATOM 641 NE1 TRP A 44 1.742 -4.381 -1.234 1.00 0.00 N ATOM 642 CE2 TRP A 44 0.735 -5.153 -0.717 1.00 0.00 C ATOM 643 CE3 TRP A 44 -0.946 -4.987 1.009 1.00 0.00 C ATOM 644 CZ2 TRP A 44 0.314 -6.433 -1.067 1.00 0.00 C ATOM 645 CZ3 TRP A 44 -1.363 -6.257 0.661 1.00 0.00 C ATOM 646 CH2 TRP A 44 -0.734 -6.969 -0.369 1.00 0.00 C ATOM 0 H TRP A 44 0.541 0.172 0.129 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.456 -1.914 0.485 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.359 -1.358 1.374 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.390 -2.443 2.352 1.00 0.00 H new ATOM 0 HD1 TRP A 44 2.474 -2.382 -0.758 1.00 0.00 H new ATOM 0 HE1 TRP A 44 2.364 -4.651 -1.996 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.437 -4.446 1.805 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 0.797 -6.983 -1.861 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -2.188 -6.709 1.192 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -1.083 -7.960 -0.617 1.00 0.00 H new ATOM 657 N ASP A 45 -1.382 0.626 2.382 1.00 0.00 N ATOM 658 CA ASP A 45 -1.977 1.280 3.542 1.00 0.00 C ATOM 659 C ASP A 45 -3.076 2.248 3.116 1.00 0.00 C ATOM 660 O ASP A 45 -3.311 2.450 1.924 1.00 0.00 O ATOM 661 CB ASP A 45 -0.906 2.024 4.340 1.00 0.00 C ATOM 662 CG ASP A 45 -1.326 2.282 5.774 1.00 0.00 C ATOM 663 OD1 ASP A 45 -1.201 1.356 6.603 1.00 0.00 O ATOM 664 OD2 ASP A 45 -1.780 3.407 6.066 1.00 0.00 O ATOM 0 H ASP A 45 -0.956 1.265 1.710 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.421 0.511 4.174 1.00 0.00 H new ATOM 0 HB2 ASP A 45 0.016 1.443 4.334 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -0.688 2.974 3.852 1.00 0.00 H new ATOM 669 N ARG A 46 -3.747 2.843 4.097 1.00 0.00 N ATOM 670 CA ARG A 46 -4.823 3.788 3.823 1.00 0.00 C ATOM 671 C ARG A 46 -4.279 5.207 3.690 1.00 0.00 C ATOM 672 O ARG A 46 -3.849 5.828 4.663 1.00 0.00 O ATOM 673 CB ARG A 46 -5.872 3.735 4.935 1.00 0.00 C ATOM 674 CG ARG A 46 -7.194 4.382 4.557 1.00 0.00 C ATOM 675 CD ARG A 46 -7.217 5.857 4.922 1.00 0.00 C ATOM 676 NE ARG A 46 -7.600 6.071 6.315 1.00 0.00 N ATOM 677 CZ ARG A 46 -8.854 6.012 6.750 1.00 0.00 C ATOM 678 NH1 ARG A 46 -9.841 5.747 5.904 1.00 0.00 N ATOM 679 NH2 ARG A 46 -9.123 6.217 8.033 1.00 0.00 N ATOM 0 H ARG A 46 -3.564 2.687 5.088 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.289 3.506 2.879 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.051 2.694 5.205 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.475 4.230 5.821 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.363 4.269 3.486 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.010 3.868 5.065 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.232 6.289 4.747 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.916 6.381 4.270 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.864 6.277 6.991 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.638 5.588 4.917 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -10.803 5.702 6.240 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.367 6.420 8.687 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.086 6.171 8.366 1.00 0.00 H new ATOM 693 N PRO A 47 -4.296 5.735 2.457 1.00 0.00 N ATOM 694 CA PRO A 47 -3.809 7.087 2.168 1.00 0.00 C ATOM 695 C PRO A 47 -4.715 8.167 2.748 1.00 0.00 C ATOM 696 O PRO A 47 -5.876 7.911 3.067 1.00 0.00 O ATOM 697 CB PRO A 47 -3.818 7.147 0.638 1.00 0.00 C ATOM 698 CG PRO A 47 -4.847 6.151 0.226 1.00 0.00 C ATOM 699 CD PRO A 47 -4.794 5.052 1.251 1.00 0.00 C ATOM 0 HA PRO A 47 -2.830 7.270 2.611 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -4.069 8.146 0.282 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.840 6.899 0.226 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.837 6.605 0.191 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.638 5.764 -0.772 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.776 4.609 1.417 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.129 4.246 0.942 1.00 0.00 H new ATOM 707 N ASP A 48 -4.177 9.374 2.883 1.00 0.00 N ATOM 708 CA ASP A 48 -4.938 10.494 3.425 1.00 0.00 C ATOM 709 C ASP A 48 -6.184 10.760 2.586 1.00 0.00 C ATOM 710 O ASP A 48 -7.266 11.000 3.122 1.00 0.00 O ATOM 711 CB ASP A 48 -4.067 11.750 3.481 1.00 0.00 C ATOM 712 CG ASP A 48 -3.324 11.882 4.795 1.00 0.00 C ATOM 713 OD1 ASP A 48 -3.958 12.269 5.799 1.00 0.00 O ATOM 714 OD2 ASP A 48 -2.109 11.596 4.821 1.00 0.00 O ATOM 0 H ASP A 48 -3.217 9.602 2.625 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.252 10.234 4.436 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.349 11.727 2.662 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.693 12.630 3.331 1.00 0.00 H new ATOM 719 N ASP A 49 -6.023 10.718 1.268 1.00 0.00 N ATOM 720 CA ASP A 49 -7.135 10.954 0.354 1.00 0.00 C ATOM 721 C ASP A 49 -8.411 10.294 0.869 1.00 0.00 C ATOM 722 O ASP A 49 -9.519 10.730 0.553 1.00 0.00 O ATOM 723 CB ASP A 49 -6.799 10.425 -1.040 1.00 0.00 C ATOM 724 CG ASP A 49 -5.691 11.216 -1.708 1.00 0.00 C ATOM 725 OD1 ASP A 49 -4.628 11.396 -1.078 1.00 0.00 O ATOM 726 OD2 ASP A 49 -5.887 11.655 -2.861 1.00 0.00 O ATOM 0 H ASP A 49 -5.134 10.523 0.809 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.302 12.029 0.295 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.501 9.379 -0.966 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -7.692 10.459 -1.663 1.00 0.00 H new ATOM 731 N LEU A 50 -8.248 9.241 1.661 1.00 0.00 N ATOM 732 CA LEU A 50 -9.386 8.520 2.219 1.00 0.00 C ATOM 733 C LEU A 50 -9.532 8.802 3.711 1.00 0.00 C ATOM 734 O LEU A 50 -10.643 8.832 4.241 1.00 0.00 O ATOM 735 CB LEU A 50 -9.226 7.016 1.986 1.00 0.00 C ATOM 736 CG LEU A 50 -9.357 6.544 0.538 1.00 0.00 C ATOM 737 CD1 LEU A 50 -9.076 5.053 0.435 1.00 0.00 C ATOM 738 CD2 LEU A 50 -10.741 6.866 -0.006 1.00 0.00 C ATOM 0 H LEU A 50 -7.338 8.867 1.932 1.00 0.00 H new ATOM 0 HA LEU A 50 -10.287 8.866 1.713 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.248 6.713 2.359 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.971 6.494 2.586 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.620 7.075 -0.064 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -9.174 4.735 -0.603 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.063 4.849 0.783 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -9.789 4.505 1.051 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -10.815 6.523 -1.038 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -11.496 6.363 0.599 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -10.905 7.943 0.031 1.00 0.00 H new ATOM 750 N ILE A 51 -8.404 9.009 4.382 1.00 0.00 N ATOM 751 CA ILE A 51 -8.407 9.292 5.811 1.00 0.00 C ATOM 752 C ILE A 51 -9.529 10.258 6.178 1.00 0.00 C ATOM 753 O ILE A 51 -9.622 11.355 5.629 1.00 0.00 O ATOM 754 CB ILE A 51 -7.062 9.887 6.270 1.00 0.00 C ATOM 755 CG1 ILE A 51 -5.967 8.820 6.227 1.00 0.00 C ATOM 756 CG2 ILE A 51 -7.190 10.465 7.672 1.00 0.00 C ATOM 757 CD1 ILE A 51 -4.592 9.351 6.565 1.00 0.00 C ATOM 0 H ILE A 51 -7.476 8.986 3.958 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.568 8.342 6.320 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.786 10.692 5.589 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.221 8.022 6.925 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.942 8.377 5.231 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.232 10.882 7.983 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.945 11.251 7.674 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.485 9.677 8.365 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.866 8.539 6.515 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.317 10.129 5.852 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.601 9.768 7.572 1.00 0.00 H new ATOM 769 N GLY A 52 -10.378 9.843 7.113 1.00 0.00 N ATOM 770 CA GLY A 52 -11.482 10.684 7.539 1.00 0.00 C ATOM 771 C GLY A 52 -12.821 10.182 7.035 1.00 0.00 C ATOM 772 O GLY A 52 -13.834 10.300 7.724 1.00 0.00 O ATOM 0 H GLY A 52 -10.321 8.940 7.583 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.501 10.730 8.628 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.320 11.700 7.180 1.00 0.00 H new ATOM 776 N ARG A 53 -12.826 9.622 5.830 1.00 0.00 N ATOM 777 CA ARG A 53 -14.051 9.104 5.233 1.00 0.00 C ATOM 778 C ARG A 53 -14.582 7.915 6.028 1.00 0.00 C ATOM 779 O ARG A 53 -13.812 7.086 6.512 1.00 0.00 O ATOM 780 CB ARG A 53 -13.802 8.691 3.781 1.00 0.00 C ATOM 781 CG ARG A 53 -13.741 9.864 2.816 1.00 0.00 C ATOM 782 CD ARG A 53 -14.254 9.478 1.438 1.00 0.00 C ATOM 783 NE ARG A 53 -15.688 9.718 1.301 1.00 0.00 N ATOM 784 CZ ARG A 53 -16.246 10.919 1.403 1.00 0.00 C ATOM 785 NH1 ARG A 53 -15.493 11.985 1.640 1.00 0.00 N ATOM 786 NH2 ARG A 53 -17.558 11.056 1.266 1.00 0.00 N ATOM 0 H ARG A 53 -11.995 9.515 5.248 1.00 0.00 H new ATOM 0 HA ARG A 53 -14.799 9.897 5.254 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -12.865 8.137 3.725 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -14.594 8.012 3.464 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -14.334 10.690 3.208 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -12.713 10.219 2.737 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -13.717 10.047 0.679 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -14.044 8.424 1.255 1.00 0.00 H new ATOM 0 HE ARG A 53 -16.295 8.919 1.117 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -14.483 11.883 1.744 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -15.924 12.906 1.718 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -18.140 10.239 1.082 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -17.985 11.979 1.345 1.00 0.00 H new ATOM 800 N ALA A 54 -15.902 7.838 6.158 1.00 0.00 N ATOM 801 CA ALA A 54 -16.536 6.750 6.892 1.00 0.00 C ATOM 802 C ALA A 54 -16.808 5.558 5.981 1.00 0.00 C ATOM 803 O ALA A 54 -16.741 4.407 6.411 1.00 0.00 O ATOM 804 CB ALA A 54 -17.827 7.230 7.537 1.00 0.00 C ATOM 0 H ALA A 54 -16.554 8.517 5.764 1.00 0.00 H new ATOM 0 HA ALA A 54 -15.851 6.426 7.675 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -18.290 6.407 8.082 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -17.608 8.044 8.228 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -18.510 7.583 6.765 1.00 0.00 H new ATOM 810 N ASP A 55 -17.117 5.842 4.720 1.00 0.00 N ATOM 811 CA ASP A 55 -17.399 4.793 3.747 1.00 0.00 C ATOM 812 C ASP A 55 -16.186 3.889 3.556 1.00 0.00 C ATOM 813 O ASP A 55 -16.291 2.665 3.644 1.00 0.00 O ATOM 814 CB ASP A 55 -17.810 5.407 2.408 1.00 0.00 C ATOM 815 CG ASP A 55 -17.077 6.702 2.116 1.00 0.00 C ATOM 816 OD1 ASP A 55 -15.847 6.653 1.906 1.00 0.00 O ATOM 817 OD2 ASP A 55 -17.734 7.764 2.096 1.00 0.00 O ATOM 0 H ASP A 55 -17.178 6.790 4.348 1.00 0.00 H new ATOM 0 HA ASP A 55 -18.222 4.189 4.128 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -17.613 4.693 1.608 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -18.884 5.593 2.411 1.00 0.00 H new ATOM 822 N VAL A 56 -15.035 4.499 3.292 1.00 0.00 N ATOM 823 CA VAL A 56 -13.801 3.749 3.087 1.00 0.00 C ATOM 824 C VAL A 56 -13.541 2.793 4.246 1.00 0.00 C ATOM 825 O VAL A 56 -12.999 1.704 4.056 1.00 0.00 O ATOM 826 CB VAL A 56 -12.592 4.690 2.930 1.00 0.00 C ATOM 827 CG1 VAL A 56 -12.546 5.696 4.071 1.00 0.00 C ATOM 828 CG2 VAL A 56 -11.300 3.890 2.862 1.00 0.00 C ATOM 0 H VAL A 56 -14.931 5.511 3.215 1.00 0.00 H new ATOM 0 HA VAL A 56 -13.927 3.176 2.168 1.00 0.00 H new ATOM 0 HB VAL A 56 -12.701 5.241 1.996 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.685 6.352 3.943 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -13.459 6.291 4.069 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -12.461 5.166 5.020 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -10.456 4.571 2.751 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.182 3.311 3.778 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -11.335 3.214 2.008 1.00 0.00 H new ATOM 838 N ASP A 57 -13.931 3.208 5.447 1.00 0.00 N ATOM 839 CA ASP A 57 -13.741 2.388 6.638 1.00 0.00 C ATOM 840 C ASP A 57 -14.760 1.254 6.684 1.00 0.00 C ATOM 841 O ASP A 57 -14.396 0.079 6.745 1.00 0.00 O ATOM 842 CB ASP A 57 -13.857 3.247 7.898 1.00 0.00 C ATOM 843 CG ASP A 57 -12.534 3.869 8.298 1.00 0.00 C ATOM 844 OD1 ASP A 57 -11.504 3.164 8.241 1.00 0.00 O ATOM 845 OD2 ASP A 57 -12.527 5.062 8.666 1.00 0.00 O ATOM 0 H ASP A 57 -14.380 4.107 5.621 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.742 1.953 6.595 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -14.590 4.036 7.730 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.230 2.634 8.719 1.00 0.00 H new ATOM 850 N LYS A 58 -16.039 1.613 6.657 1.00 0.00 N ATOM 851 CA LYS A 58 -17.112 0.626 6.696 1.00 0.00 C ATOM 852 C LYS A 58 -16.855 -0.497 5.697 1.00 0.00 C ATOM 853 O LYS A 58 -16.894 -1.676 6.051 1.00 0.00 O ATOM 854 CB LYS A 58 -18.456 1.293 6.396 1.00 0.00 C ATOM 855 CG LYS A 58 -19.601 0.308 6.237 1.00 0.00 C ATOM 856 CD LYS A 58 -20.871 1.000 5.768 1.00 0.00 C ATOM 857 CE LYS A 58 -22.106 0.170 6.082 1.00 0.00 C ATOM 858 NZ LYS A 58 -22.401 0.144 7.542 1.00 0.00 N ATOM 0 H LYS A 58 -16.358 2.581 6.608 1.00 0.00 H new ATOM 0 HA LYS A 58 -17.142 0.197 7.698 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -18.695 1.988 7.201 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -18.364 1.881 5.483 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -19.321 -0.465 5.521 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -19.787 -0.191 7.188 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -20.954 1.975 6.249 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -20.814 1.178 4.694 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -22.963 0.577 5.546 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -21.960 -0.849 5.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -23.380 -0.174 7.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -21.747 -0.511 8.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -22.282 1.099 7.937 1.00 0.00 H new ATOM 872 N ILE A 59 -16.593 -0.124 4.449 1.00 0.00 N ATOM 873 CA ILE A 59 -16.327 -1.100 3.400 1.00 0.00 C ATOM 874 C ILE A 59 -15.291 -2.124 3.852 1.00 0.00 C ATOM 875 O ILE A 59 -15.503 -3.331 3.731 1.00 0.00 O ATOM 876 CB ILE A 59 -15.832 -0.420 2.110 1.00 0.00 C ATOM 877 CG1 ILE A 59 -16.904 0.522 1.560 1.00 0.00 C ATOM 878 CG2 ILE A 59 -15.454 -1.466 1.072 1.00 0.00 C ATOM 879 CD1 ILE A 59 -16.393 1.461 0.490 1.00 0.00 C ATOM 0 H ILE A 59 -16.559 0.847 4.140 1.00 0.00 H new ATOM 0 HA ILE A 59 -17.270 -1.607 3.194 1.00 0.00 H new ATOM 0 HB ILE A 59 -14.945 0.168 2.344 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -17.722 -0.071 1.151 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -17.316 1.109 2.381 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -15.106 -0.970 0.166 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -14.660 -2.100 1.467 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -16.325 -2.079 0.839 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -17.207 2.099 0.147 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -15.595 2.080 0.900 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -16.008 0.881 -0.349 1.00 0.00 H new ATOM 891 N ILE A 60 -14.172 -1.634 4.374 1.00 0.00 N ATOM 892 CA ILE A 60 -13.104 -2.507 4.846 1.00 0.00 C ATOM 893 C ILE A 60 -13.561 -3.337 6.041 1.00 0.00 C ATOM 894 O ILE A 60 -13.148 -4.484 6.206 1.00 0.00 O ATOM 895 CB ILE A 60 -11.853 -1.702 5.243 1.00 0.00 C ATOM 896 CG1 ILE A 60 -11.227 -1.049 4.009 1.00 0.00 C ATOM 897 CG2 ILE A 60 -10.844 -2.601 5.942 1.00 0.00 C ATOM 898 CD1 ILE A 60 -10.269 0.074 4.340 1.00 0.00 C ATOM 0 H ILE A 60 -13.981 -0.638 4.481 1.00 0.00 H new ATOM 0 HA ILE A 60 -12.851 -3.172 4.020 1.00 0.00 H new ATOM 0 HB ILE A 60 -12.151 -0.915 5.936 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -10.698 -1.809 3.434 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -12.021 -0.662 3.370 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -9.965 -2.017 6.216 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -11.294 -3.023 6.840 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -10.549 -3.407 5.271 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -9.864 0.490 3.418 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -10.798 0.854 4.888 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -9.454 -0.312 4.953 1.00 0.00 H new ATOM 910 N GLN A 61 -14.418 -2.749 6.870 1.00 0.00 N ATOM 911 CA GLN A 61 -14.932 -3.435 8.050 1.00 0.00 C ATOM 912 C GLN A 61 -15.824 -4.606 7.652 1.00 0.00 C ATOM 913 O GLN A 61 -15.688 -5.709 8.181 1.00 0.00 O ATOM 914 CB GLN A 61 -15.713 -2.460 8.933 1.00 0.00 C ATOM 915 CG GLN A 61 -14.849 -1.370 9.547 1.00 0.00 C ATOM 916 CD GLN A 61 -15.439 -0.810 10.826 1.00 0.00 C ATOM 917 OE1 GLN A 61 -15.769 0.373 10.905 1.00 0.00 O ATOM 918 NE2 GLN A 61 -15.574 -1.660 11.838 1.00 0.00 N ATOM 0 H GLN A 61 -14.771 -1.800 6.746 1.00 0.00 H new ATOM 0 HA GLN A 61 -14.083 -3.823 8.613 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -16.501 -1.996 8.339 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -16.202 -3.018 9.732 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -13.857 -1.771 9.754 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -14.722 -0.563 8.826 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -15.287 -2.633 11.729 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -15.964 -1.340 12.724 1.00 0.00 H new ATOM 927 N GLU A 62 -16.737 -4.358 6.718 1.00 0.00 N ATOM 928 CA GLU A 62 -17.653 -5.393 6.252 1.00 0.00 C ATOM 929 C GLU A 62 -17.430 -5.689 4.771 1.00 0.00 C ATOM 930 O GLU A 62 -18.077 -5.116 3.894 1.00 0.00 O ATOM 931 CB GLU A 62 -19.103 -4.965 6.486 1.00 0.00 C ATOM 932 CG GLU A 62 -19.640 -5.355 7.852 1.00 0.00 C ATOM 933 CD GLU A 62 -19.350 -4.311 8.913 1.00 0.00 C ATOM 934 OE1 GLU A 62 -19.488 -3.107 8.612 1.00 0.00 O ATOM 935 OE2 GLU A 62 -18.985 -4.697 10.043 1.00 0.00 O ATOM 0 H GLU A 62 -16.862 -3.450 6.270 1.00 0.00 H new ATOM 0 HA GLU A 62 -17.455 -6.302 6.820 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -19.177 -3.884 6.371 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -19.733 -5.411 5.716 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -20.717 -5.509 7.784 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -19.200 -6.306 8.153 1.00 0.00 H new ATOM 942 N PRO A 63 -16.493 -6.605 4.485 1.00 0.00 N ATOM 943 CA PRO A 63 -16.163 -6.998 3.112 1.00 0.00 C ATOM 944 C PRO A 63 -17.284 -7.795 2.453 1.00 0.00 C ATOM 945 O PRO A 63 -17.959 -8.605 3.088 1.00 0.00 O ATOM 946 CB PRO A 63 -14.916 -7.869 3.283 1.00 0.00 C ATOM 947 CG PRO A 63 -15.013 -8.402 4.670 1.00 0.00 C ATOM 948 CD PRO A 63 -15.684 -7.328 5.481 1.00 0.00 C ATOM 0 HA PRO A 63 -16.010 -6.134 2.465 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -14.893 -8.675 2.550 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -14.005 -7.287 3.146 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -15.590 -9.326 4.693 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -14.025 -8.633 5.069 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -16.303 -7.750 6.272 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -14.957 -6.673 5.960 1.00 0.00 H new ATOM 956 N PRO A 64 -17.487 -7.562 1.147 1.00 0.00 N ATOM 957 CA PRO A 64 -18.525 -8.250 0.373 1.00 0.00 C ATOM 958 C PRO A 64 -18.207 -9.726 0.160 1.00 0.00 C ATOM 959 O PRO A 64 -19.032 -10.596 0.442 1.00 0.00 O ATOM 960 CB PRO A 64 -18.522 -7.504 -0.964 1.00 0.00 C ATOM 961 CG PRO A 64 -17.151 -6.934 -1.077 1.00 0.00 C ATOM 962 CD PRO A 64 -16.720 -6.610 0.327 1.00 0.00 C ATOM 0 HA PRO A 64 -19.489 -8.238 0.882 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -18.740 -8.177 -1.793 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -19.279 -6.720 -0.982 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -16.469 -7.647 -1.540 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -17.150 -6.041 -1.701 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -15.646 -6.741 0.458 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -16.950 -5.577 0.590 1.00 0.00 H new ATOM 970 N HIS A 65 -17.005 -10.002 -0.337 1.00 0.00 N ATOM 971 CA HIS A 65 -16.578 -11.374 -0.587 1.00 0.00 C ATOM 972 C HIS A 65 -16.769 -12.237 0.657 1.00 0.00 C ATOM 973 O HIS A 65 -16.929 -13.454 0.563 1.00 0.00 O ATOM 974 CB HIS A 65 -15.113 -11.404 -1.021 1.00 0.00 C ATOM 975 CG HIS A 65 -14.147 -11.322 0.121 1.00 0.00 C ATOM 976 ND1 HIS A 65 -13.791 -10.133 0.722 1.00 0.00 N ATOM 977 CD2 HIS A 65 -13.463 -12.291 0.773 1.00 0.00 C ATOM 978 CE1 HIS A 65 -12.929 -10.374 1.693 1.00 0.00 C ATOM 979 NE2 HIS A 65 -12.713 -11.677 1.745 1.00 0.00 N ATOM 0 H HIS A 65 -16.310 -9.294 -0.574 1.00 0.00 H new ATOM 0 HA HIS A 65 -17.195 -11.780 -1.389 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -14.927 -12.322 -1.578 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -14.928 -10.574 -1.703 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -13.500 -13.350 0.567 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -12.477 -9.633 2.335 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -12.090 -12.149 2.401 1.00 0.00 H new