USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 342 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 32 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 63 ASN : amide:sc=-0.00292 X(o=-0.0029,f=0) USER MOD Single : A 22 LYS NZ :NH3+ -162:sc= -0.0146 (180deg=-0.183) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -1.44 K(o=-1.4,f=-4.7!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.0477 K(o=-0.048,f=-0.59) USER MOD Single : A 51 HIS :FLIP no HD1:sc= -2.36! C(o=-3.1!,f=-2.4!) USER MOD Single : A 54 ASN : amide:sc=-4.41e-05 X(o=-4.4e-05,f=0) USER MOD Single : A 55 CYS SG : rot 69:sc= 0.428 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -0.213 X(o=-0.21,f=0) USER MOD ----------------------------------------------------------------- ATOM 161 N GLU A 15 -9.138 -5.283 10.397 1.00 0.00 N ATOM 162 CA GLU A 15 -8.982 -4.065 9.621 1.00 0.00 C ATOM 163 C GLU A 15 -7.578 -3.489 9.814 1.00 0.00 C ATOM 164 O GLU A 15 -7.118 -3.331 10.944 1.00 0.00 O ATOM 165 CB GLU A 15 -10.053 -3.038 9.992 1.00 0.00 C ATOM 166 CG GLU A 15 -11.399 -3.395 9.357 1.00 0.00 C ATOM 167 CD GLU A 15 -12.555 -3.080 10.310 1.00 0.00 C ATOM 168 OE1 GLU A 15 -12.609 -3.736 11.372 1.00 0.00 O ATOM 169 OE2 GLU A 15 -13.357 -2.191 9.953 1.00 0.00 O ATOM 0 HA GLU A 15 -9.111 -4.310 8.567 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.159 -2.993 11.076 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.742 -2.047 9.661 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -11.526 -2.838 8.428 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -11.414 -4.454 9.099 1.00 0.00 H new ATOM 174 N VAL A 16 -6.937 -3.189 8.693 1.00 0.00 N ATOM 175 CA VAL A 16 -5.595 -2.633 8.725 1.00 0.00 C ATOM 176 C VAL A 16 -5.621 -1.291 9.458 1.00 0.00 C ATOM 177 O VAL A 16 -6.351 -0.380 9.067 1.00 0.00 O ATOM 178 CB VAL A 16 -5.038 -2.529 7.304 1.00 0.00 C ATOM 179 CG1 VAL A 16 -3.873 -1.539 7.243 1.00 0.00 C ATOM 180 CG2 VAL A 16 -4.619 -3.902 6.777 1.00 0.00 C ATOM 0 H VAL A 16 -7.322 -3.321 7.758 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.922 -3.290 9.276 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.832 -2.152 6.660 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.495 -1.484 6.222 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -4.216 -0.553 7.557 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.076 -1.874 7.907 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.227 -3.799 5.765 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.848 -4.320 7.424 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.483 -4.566 6.765 1.00 0.00 H new ATOM 190 N GLU A 17 -4.815 -1.209 10.507 1.00 0.00 N ATOM 191 CA GLU A 17 -4.737 0.008 11.297 1.00 0.00 C ATOM 192 C GLU A 17 -3.882 1.053 10.579 1.00 0.00 C ATOM 193 O GLU A 17 -4.297 2.202 10.427 1.00 0.00 O ATOM 194 CB GLU A 17 -4.190 -0.281 12.696 1.00 0.00 C ATOM 195 CG GLU A 17 -3.773 1.012 13.400 1.00 0.00 C ATOM 196 CD GLU A 17 -3.898 0.875 14.919 1.00 0.00 C ATOM 197 OE1 GLU A 17 -4.647 -0.031 15.347 1.00 0.00 O ATOM 198 OE2 GLU A 17 -3.243 1.677 15.617 1.00 0.00 O ATOM 0 H GLU A 17 -4.211 -1.965 10.828 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.744 0.408 11.412 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.948 -0.793 13.288 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.334 -0.952 12.624 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.744 1.258 13.137 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.396 1.836 13.053 1.00 0.00 H new ATOM 203 N ARG A 18 -2.705 0.619 10.155 1.00 0.00 N ATOM 204 CA ARG A 18 -1.788 1.503 9.456 1.00 0.00 C ATOM 205 C ARG A 18 -0.487 0.768 9.131 1.00 0.00 C ATOM 206 O ARG A 18 -0.235 -0.318 9.652 1.00 0.00 O ATOM 207 CB ARG A 18 -1.470 2.742 10.295 1.00 0.00 C ATOM 208 CG ARG A 18 -0.374 2.444 11.320 1.00 0.00 C ATOM 209 CD ARG A 18 0.019 3.708 12.087 1.00 0.00 C ATOM 210 NE ARG A 18 -1.112 4.161 12.927 1.00 0.00 N ATOM 211 CZ ARG A 18 -1.130 5.321 13.599 1.00 0.00 C ATOM 212 NH1 ARG A 18 -0.080 6.150 13.534 1.00 0.00 N ATOM 213 NH2 ARG A 18 -2.199 5.650 14.336 1.00 0.00 N ATOM 0 H ARG A 18 -2.365 -0.334 10.282 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.272 1.819 8.532 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.151 3.555 9.643 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.371 3.079 10.808 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.722 1.684 12.019 1.00 0.00 H new ATOM 0 HG3 ARG A 18 0.500 2.035 10.814 1.00 0.00 H new ATOM 0 HD2 ARG A 18 0.890 3.509 12.712 1.00 0.00 H new ATOM 0 HD3 ARG A 18 0.302 4.495 11.388 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.928 3.553 12.999 1.00 0.00 H new ATOM 0 HH11 ARG A 18 0.734 5.899 12.973 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.094 7.032 14.046 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -2.998 5.018 14.386 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -2.214 6.532 14.848 1.00 0.00 H new ATOM 224 N ILE A 19 0.308 1.389 8.271 1.00 0.00 N ATOM 225 CA ILE A 19 1.577 0.807 7.870 1.00 0.00 C ATOM 226 C ILE A 19 2.698 1.398 8.728 1.00 0.00 C ATOM 227 O ILE A 19 2.820 2.617 8.842 1.00 0.00 O ATOM 228 CB ILE A 19 1.796 0.983 6.366 1.00 0.00 C ATOM 229 CG1 ILE A 19 0.491 0.782 5.595 1.00 0.00 C ATOM 230 CG2 ILE A 19 2.908 0.062 5.861 1.00 0.00 C ATOM 231 CD1 ILE A 19 0.097 -0.696 5.560 1.00 0.00 C ATOM 0 H ILE A 19 0.097 2.290 7.841 1.00 0.00 H new ATOM 0 HA ILE A 19 1.575 -0.269 8.045 1.00 0.00 H new ATOM 0 HB ILE A 19 2.122 2.008 6.187 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.304 1.363 6.062 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.604 1.156 4.577 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.042 0.208 4.789 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.838 0.297 6.379 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.637 -0.976 6.055 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.834 -0.811 5.006 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.884 -1.271 5.071 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.039 -1.060 6.578 1.00 0.00 H new ATOM 242 N VAL A 20 3.487 0.508 9.310 1.00 0.00 N ATOM 243 CA VAL A 20 4.593 0.926 10.154 1.00 0.00 C ATOM 244 C VAL A 20 5.907 0.747 9.391 1.00 0.00 C ATOM 245 O VAL A 20 6.942 1.277 9.795 1.00 0.00 O ATOM 246 CB VAL A 20 4.561 0.158 11.477 1.00 0.00 C ATOM 247 CG1 VAL A 20 4.340 1.107 12.657 1.00 0.00 C ATOM 248 CG2 VAL A 20 3.495 -0.939 11.449 1.00 0.00 C ATOM 0 H VAL A 20 3.382 -0.502 9.214 1.00 0.00 H new ATOM 0 HA VAL A 20 4.504 1.983 10.405 1.00 0.00 H new ATOM 0 HB VAL A 20 5.531 -0.321 11.609 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.321 0.536 13.585 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.150 1.835 12.695 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.390 1.628 12.532 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.494 -1.469 12.401 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.516 -0.491 11.282 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.715 -1.640 10.644 1.00 0.00 H new ATOM 258 N ASP A 21 5.824 -0.001 8.300 1.00 0.00 N ATOM 259 CA ASP A 21 6.994 -0.256 7.477 1.00 0.00 C ATOM 260 C ASP A 21 6.557 -0.912 6.166 1.00 0.00 C ATOM 261 O ASP A 21 5.412 -1.345 6.037 1.00 0.00 O ATOM 262 CB ASP A 21 7.966 -1.204 8.180 1.00 0.00 C ATOM 263 CG ASP A 21 9.443 -0.972 7.858 1.00 0.00 C ATOM 264 OD1 ASP A 21 9.736 -0.746 6.664 1.00 0.00 O ATOM 265 OD2 ASP A 21 10.248 -1.027 8.814 1.00 0.00 O ATOM 0 H ASP A 21 4.965 -0.438 7.967 1.00 0.00 H new ATOM 0 HA ASP A 21 7.490 0.697 7.292 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.826 -1.111 9.257 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.708 -2.229 7.912 1.00 0.00 H new ATOM 269 N LYS A 22 7.490 -0.965 5.228 1.00 0.00 N ATOM 270 CA LYS A 22 7.215 -1.561 3.932 1.00 0.00 C ATOM 271 C LYS A 22 8.528 -2.036 3.305 1.00 0.00 C ATOM 272 O LYS A 22 9.541 -1.344 3.377 1.00 0.00 O ATOM 273 CB LYS A 22 6.430 -0.589 3.049 1.00 0.00 C ATOM 274 CG LYS A 22 6.279 -1.136 1.629 1.00 0.00 C ATOM 275 CD LYS A 22 6.529 -0.040 0.590 1.00 0.00 C ATOM 276 CE LYS A 22 7.224 -0.608 -0.649 1.00 0.00 C ATOM 277 NZ LYS A 22 8.637 -0.930 -0.348 1.00 0.00 N ATOM 0 H LYS A 22 8.438 -0.605 5.339 1.00 0.00 H new ATOM 0 HA LYS A 22 6.578 -2.438 4.045 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.445 -0.414 3.482 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.940 0.374 3.019 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.981 -1.956 1.475 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.277 -1.545 1.498 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.582 0.417 0.303 1.00 0.00 H new ATOM 0 HD3 LYS A 22 7.143 0.747 1.027 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.704 -1.505 -0.986 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.175 0.114 -1.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 9.170 -1.019 -1.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.051 -0.170 0.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.685 -1.827 0.176 1.00 0.00 H new ATOM 287 N ARG A 23 8.467 -3.216 2.704 1.00 0.00 N ATOM 288 CA ARG A 23 9.638 -3.792 2.067 1.00 0.00 C ATOM 289 C ARG A 23 9.215 -4.810 1.003 1.00 0.00 C ATOM 290 O ARG A 23 8.031 -5.107 0.859 1.00 0.00 O ATOM 291 CB ARG A 23 10.540 -4.481 3.091 1.00 0.00 C ATOM 292 CG ARG A 23 11.924 -3.829 3.129 1.00 0.00 C ATOM 293 CD ARG A 23 12.829 -4.520 4.152 1.00 0.00 C ATOM 294 NE ARG A 23 14.227 -4.524 3.669 1.00 0.00 N ATOM 295 CZ ARG A 23 15.225 -5.192 4.263 1.00 0.00 C ATOM 296 NH1 ARG A 23 14.985 -5.914 5.367 1.00 0.00 N ATOM 297 NH2 ARG A 23 16.464 -5.138 3.755 1.00 0.00 N ATOM 0 H ARG A 23 7.625 -3.788 2.645 1.00 0.00 H new ATOM 0 HA ARG A 23 10.195 -2.980 1.599 1.00 0.00 H new ATOM 0 HB2 ARG A 23 10.082 -4.428 4.079 1.00 0.00 H new ATOM 0 HB3 ARG A 23 10.638 -5.538 2.842 1.00 0.00 H new ATOM 0 HG2 ARG A 23 12.381 -3.880 2.141 1.00 0.00 H new ATOM 0 HG3 ARG A 23 11.825 -2.773 3.380 1.00 0.00 H new ATOM 0 HD2 ARG A 23 12.768 -4.005 5.110 1.00 0.00 H new ATOM 0 HD3 ARG A 23 12.490 -5.543 4.318 1.00 0.00 H new ATOM 0 HE ARG A 23 14.445 -3.984 2.831 1.00 0.00 H new ATOM 0 HH11 ARG A 23 14.042 -5.955 5.755 1.00 0.00 H new ATOM 0 HH12 ARG A 23 15.745 -6.422 5.819 1.00 0.00 H new ATOM 0 HH21 ARG A 23 16.648 -4.588 2.916 1.00 0.00 H new ATOM 0 HH22 ARG A 23 17.223 -5.647 4.208 1.00 0.00 H new ATOM 308 N LYS A 24 10.209 -5.314 0.286 1.00 0.00 N ATOM 309 CA LYS A 24 9.957 -6.291 -0.760 1.00 0.00 C ATOM 310 C LYS A 24 10.427 -7.668 -0.289 1.00 0.00 C ATOM 311 O LYS A 24 11.331 -7.770 0.540 1.00 0.00 O ATOM 312 CB LYS A 24 10.591 -5.842 -2.078 1.00 0.00 C ATOM 313 CG LYS A 24 10.153 -6.744 -3.232 1.00 0.00 C ATOM 314 CD LYS A 24 10.007 -5.945 -4.528 1.00 0.00 C ATOM 315 CE LYS A 24 11.122 -6.294 -5.517 1.00 0.00 C ATOM 316 NZ LYS A 24 11.875 -5.079 -5.898 1.00 0.00 N ATOM 0 H LYS A 24 11.190 -5.064 0.409 1.00 0.00 H new ATOM 0 HA LYS A 24 8.888 -6.369 -0.959 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.307 -4.811 -2.290 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.677 -5.862 -1.988 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.883 -7.541 -3.372 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.204 -7.221 -2.986 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.037 -6.153 -4.980 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.033 -4.878 -4.306 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.798 -7.023 -5.070 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.695 -6.759 -6.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.628 -5.333 -6.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.230 -4.396 -6.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.298 -4.652 -5.049 1.00 0.00 H new ATOM 326 N ASN A 25 9.793 -8.694 -0.838 1.00 0.00 N ATOM 327 CA ASN A 25 10.137 -10.061 -0.485 1.00 0.00 C ATOM 328 C ASN A 25 11.332 -10.515 -1.324 1.00 0.00 C ATOM 329 O ASN A 25 11.812 -9.774 -2.179 1.00 0.00 O ATOM 330 CB ASN A 25 8.972 -11.013 -0.768 1.00 0.00 C ATOM 331 CG ASN A 25 8.552 -11.760 0.499 1.00 0.00 C ATOM 332 OD1 ASN A 25 9.197 -11.691 1.533 1.00 0.00 O ATOM 333 ND2 ASN A 25 7.438 -12.474 0.363 1.00 0.00 N ATOM 0 H ASN A 25 9.044 -8.606 -1.524 1.00 0.00 H new ATOM 0 HA ASN A 25 10.373 -10.085 0.579 1.00 0.00 H new ATOM 0 HB2 ASN A 25 8.125 -10.450 -1.160 1.00 0.00 H new ATOM 0 HB3 ASN A 25 9.262 -11.729 -1.537 1.00 0.00 H new ATOM 0 HD21 ASN A 25 7.075 -13.008 1.153 1.00 0.00 H new ATOM 0 HD22 ASN A 25 6.947 -12.488 -0.531 1.00 0.00 H new ATOM 339 N LYS A 26 11.779 -11.732 -1.049 1.00 0.00 N ATOM 340 CA LYS A 26 12.911 -12.294 -1.768 1.00 0.00 C ATOM 341 C LYS A 26 12.505 -12.564 -3.218 1.00 0.00 C ATOM 342 O LYS A 26 13.302 -12.376 -4.134 1.00 0.00 O ATOM 343 CB LYS A 26 13.448 -13.528 -1.040 1.00 0.00 C ATOM 344 CG LYS A 26 14.552 -14.207 -1.853 1.00 0.00 C ATOM 345 CD LYS A 26 13.962 -15.180 -2.874 1.00 0.00 C ATOM 346 CE LYS A 26 14.608 -14.994 -4.249 1.00 0.00 C ATOM 347 NZ LYS A 26 14.791 -16.301 -4.918 1.00 0.00 N ATOM 0 H LYS A 26 11.378 -12.344 -0.339 1.00 0.00 H new ATOM 0 HA LYS A 26 13.737 -11.583 -1.795 1.00 0.00 H new ATOM 0 HB2 LYS A 26 13.836 -13.238 -0.064 1.00 0.00 H new ATOM 0 HB3 LYS A 26 12.635 -14.233 -0.864 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.147 -13.452 -2.367 1.00 0.00 H new ATOM 0 HG3 LYS A 26 15.225 -14.742 -1.183 1.00 0.00 H new ATOM 0 HD2 LYS A 26 14.112 -16.205 -2.534 1.00 0.00 H new ATOM 0 HD3 LYS A 26 12.886 -15.024 -2.950 1.00 0.00 H new ATOM 0 HE2 LYS A 26 13.984 -14.348 -4.866 1.00 0.00 H new ATOM 0 HE3 LYS A 26 15.572 -14.497 -4.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 15.230 -16.156 -5.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 15.405 -16.906 -4.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 13.866 -16.761 -5.039 1.00 0.00 H new ATOM 357 N LYS A 27 11.264 -13.000 -3.380 1.00 0.00 N ATOM 358 CA LYS A 27 10.743 -13.298 -4.703 1.00 0.00 C ATOM 359 C LYS A 27 10.551 -11.992 -5.477 1.00 0.00 C ATOM 360 O LYS A 27 10.769 -11.945 -6.687 1.00 0.00 O ATOM 361 CB LYS A 27 9.473 -14.144 -4.601 1.00 0.00 C ATOM 362 CG LYS A 27 9.792 -15.634 -4.742 1.00 0.00 C ATOM 363 CD LYS A 27 9.049 -16.244 -5.932 1.00 0.00 C ATOM 364 CE LYS A 27 8.808 -17.740 -5.718 1.00 0.00 C ATOM 365 NZ LYS A 27 7.497 -18.138 -6.279 1.00 0.00 N ATOM 0 H LYS A 27 10.605 -13.154 -2.617 1.00 0.00 H new ATOM 0 HA LYS A 27 11.456 -13.901 -5.266 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.987 -13.962 -3.643 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.769 -13.844 -5.377 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.866 -15.769 -4.871 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.513 -16.157 -3.828 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.095 -15.734 -6.070 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.627 -16.092 -6.843 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.603 -18.314 -6.193 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.840 -17.971 -4.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.348 -19.156 -6.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.740 -17.603 -5.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.480 -17.935 -7.299 1.00 0.00 H new ATOM 375 N GLY A 28 10.145 -10.963 -4.747 1.00 0.00 N ATOM 376 CA GLY A 28 9.921 -9.660 -5.349 1.00 0.00 C ATOM 377 C GLY A 28 8.484 -9.189 -5.119 1.00 0.00 C ATOM 378 O GLY A 28 7.877 -8.585 -6.002 1.00 0.00 O ATOM 0 H GLY A 28 9.965 -11.006 -3.744 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.617 -8.936 -4.926 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.124 -9.710 -6.419 1.00 0.00 H new ATOM 382 N LYS A 29 7.983 -9.483 -3.929 1.00 0.00 N ATOM 383 CA LYS A 29 6.628 -9.098 -3.571 1.00 0.00 C ATOM 384 C LYS A 29 6.679 -7.911 -2.606 1.00 0.00 C ATOM 385 O LYS A 29 7.522 -7.869 -1.711 1.00 0.00 O ATOM 386 CB LYS A 29 5.854 -10.300 -3.027 1.00 0.00 C ATOM 387 CG LYS A 29 5.770 -11.415 -4.072 1.00 0.00 C ATOM 388 CD LYS A 29 4.527 -11.252 -4.949 1.00 0.00 C ATOM 389 CE LYS A 29 3.592 -12.455 -4.805 1.00 0.00 C ATOM 390 NZ LYS A 29 3.107 -12.896 -6.132 1.00 0.00 N ATOM 0 H LYS A 29 8.491 -9.984 -3.200 1.00 0.00 H new ATOM 0 HA LYS A 29 6.080 -8.770 -4.454 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.343 -10.675 -2.128 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.850 -9.990 -2.738 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.664 -11.402 -4.696 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.743 -12.384 -3.574 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.998 -10.341 -4.670 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.825 -11.141 -5.992 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.116 -13.274 -4.312 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.745 -12.191 -4.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.474 -13.713 -6.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.589 -12.118 -6.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.917 -13.167 -6.725 1.00 0.00 H new ATOM 400 N THR A 30 5.765 -6.976 -2.820 1.00 0.00 N ATOM 401 CA THR A 30 5.694 -5.792 -1.980 1.00 0.00 C ATOM 402 C THR A 30 4.991 -6.116 -0.661 1.00 0.00 C ATOM 403 O THR A 30 3.844 -6.557 -0.657 1.00 0.00 O ATOM 404 CB THR A 30 5.006 -4.685 -2.781 1.00 0.00 C ATOM 405 OG1 THR A 30 5.969 -4.317 -3.765 1.00 0.00 O ATOM 406 CG2 THR A 30 4.804 -3.409 -1.961 1.00 0.00 C ATOM 0 H THR A 30 5.067 -7.014 -3.563 1.00 0.00 H new ATOM 0 HA THR A 30 6.689 -5.442 -1.704 1.00 0.00 H new ATOM 0 HB THR A 30 4.041 -5.043 -3.140 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.604 -3.604 -4.330 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.312 -2.655 -2.576 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.184 -3.629 -1.092 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.772 -3.032 -1.630 1.00 0.00 H new ATOM 414 N GLU A 31 5.709 -5.883 0.428 1.00 0.00 N ATOM 415 CA GLU A 31 5.168 -6.144 1.751 1.00 0.00 C ATOM 416 C GLU A 31 4.993 -4.833 2.521 1.00 0.00 C ATOM 417 O GLU A 31 5.793 -3.910 2.373 1.00 0.00 O ATOM 418 CB GLU A 31 6.058 -7.119 2.525 1.00 0.00 C ATOM 419 CG GLU A 31 5.928 -8.538 1.970 1.00 0.00 C ATOM 420 CD GLU A 31 7.230 -9.322 2.156 1.00 0.00 C ATOM 421 OE1 GLU A 31 8.288 -8.753 1.811 1.00 0.00 O ATOM 422 OE2 GLU A 31 7.137 -10.471 2.637 1.00 0.00 O ATOM 0 H GLU A 31 6.661 -5.516 0.421 1.00 0.00 H new ATOM 0 HA GLU A 31 4.189 -6.609 1.636 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.097 -6.795 2.465 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.782 -7.110 3.579 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.112 -9.056 2.474 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.673 -8.496 0.911 1.00 0.00 H new ATOM 427 N TYR A 32 3.941 -4.793 3.326 1.00 0.00 N ATOM 428 CA TYR A 32 3.650 -3.611 4.119 1.00 0.00 C ATOM 429 C TYR A 32 3.401 -3.980 5.583 1.00 0.00 C ATOM 430 O TYR A 32 2.412 -4.641 5.899 1.00 0.00 O ATOM 431 CB TYR A 32 2.371 -3.013 3.531 1.00 0.00 C ATOM 432 CG TYR A 32 2.595 -2.194 2.257 1.00 0.00 C ATOM 433 CD1 TYR A 32 3.172 -0.943 2.334 1.00 0.00 C ATOM 434 CD2 TYR A 32 2.219 -2.706 1.032 1.00 0.00 C ATOM 435 CE1 TYR A 32 3.384 -0.172 1.136 1.00 0.00 C ATOM 436 CE2 TYR A 32 2.430 -1.936 -0.166 1.00 0.00 C ATOM 437 CZ TYR A 32 3.002 -0.707 -0.054 1.00 0.00 C ATOM 438 OH TYR A 32 3.201 0.021 -1.186 1.00 0.00 O ATOM 0 H TYR A 32 3.280 -5.560 3.446 1.00 0.00 H new ATOM 0 HA TYR A 32 4.488 -2.915 4.091 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.671 -3.820 3.313 1.00 0.00 H new ATOM 0 HB3 TYR A 32 1.901 -2.377 4.281 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.465 -0.542 3.293 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.766 -3.685 0.972 1.00 0.00 H new ATOM 0 HE1 TYR A 32 3.836 0.808 1.182 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.141 -2.325 -1.131 1.00 0.00 H new ATOM 0 HH TYR A 32 2.881 -0.486 -1.961 1.00 0.00 H new ATOM 447 N LEU A 33 4.313 -3.538 6.435 1.00 0.00 N ATOM 448 CA LEU A 33 4.205 -3.814 7.857 1.00 0.00 C ATOM 449 C LEU A 33 3.005 -3.055 8.429 1.00 0.00 C ATOM 450 O LEU A 33 2.985 -1.825 8.426 1.00 0.00 O ATOM 451 CB LEU A 33 5.524 -3.503 8.566 1.00 0.00 C ATOM 452 CG LEU A 33 5.509 -3.618 10.092 1.00 0.00 C ATOM 453 CD1 LEU A 33 5.991 -4.997 10.542 1.00 0.00 C ATOM 454 CD2 LEU A 33 6.319 -2.489 10.734 1.00 0.00 C ATOM 0 H LEU A 33 5.131 -2.990 6.168 1.00 0.00 H new ATOM 0 HA LEU A 33 4.023 -4.875 8.026 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.289 -4.175 8.178 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.826 -2.490 8.301 1.00 0.00 H new ATOM 0 HG LEU A 33 4.479 -3.510 10.433 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.971 -5.052 11.630 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.337 -5.764 10.127 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.010 -5.159 10.189 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.293 -2.594 11.819 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.352 -2.541 10.390 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.890 -1.527 10.452 1.00 0.00 H new ATOM 465 N VAL A 34 2.035 -3.819 8.907 1.00 0.00 N ATOM 466 CA VAL A 34 0.835 -3.234 9.482 1.00 0.00 C ATOM 467 C VAL A 34 0.671 -3.727 10.920 1.00 0.00 C ATOM 468 O VAL A 34 0.613 -4.932 11.164 1.00 0.00 O ATOM 469 CB VAL A 34 -0.375 -3.550 8.600 1.00 0.00 C ATOM 470 CG1 VAL A 34 -0.185 -4.876 7.861 1.00 0.00 C ATOM 471 CG2 VAL A 34 -1.665 -3.559 9.421 1.00 0.00 C ATOM 0 H VAL A 34 2.055 -4.839 8.908 1.00 0.00 H new ATOM 0 HA VAL A 34 0.919 -2.148 9.519 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.459 -2.761 7.853 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.059 -5.076 7.242 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.701 -4.817 7.229 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.061 -5.681 8.585 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.509 -3.786 8.770 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.594 -4.317 10.201 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.812 -2.580 9.878 1.00 0.00 H new ATOM 481 N ARG A 35 0.599 -2.771 11.835 1.00 0.00 N ATOM 482 CA ARG A 35 0.442 -3.094 13.243 1.00 0.00 C ATOM 483 C ARG A 35 -1.035 -3.305 13.578 1.00 0.00 C ATOM 484 O ARG A 35 -1.849 -2.396 13.418 1.00 0.00 O ATOM 485 CB ARG A 35 1.004 -1.980 14.129 1.00 0.00 C ATOM 486 CG ARG A 35 0.219 -0.681 13.941 1.00 0.00 C ATOM 487 CD ARG A 35 -0.858 -0.532 15.018 1.00 0.00 C ATOM 488 NE ARG A 35 -0.367 0.340 16.108 1.00 0.00 N ATOM 489 CZ ARG A 35 -0.967 0.464 17.300 1.00 0.00 C ATOM 490 NH1 ARG A 35 -2.085 -0.228 17.562 1.00 0.00 N ATOM 491 NH2 ARG A 35 -0.451 1.279 18.229 1.00 0.00 N ATOM 0 H ARG A 35 0.646 -1.773 11.629 1.00 0.00 H new ATOM 0 HA ARG A 35 0.997 -4.012 13.436 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.962 -2.286 15.174 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.054 -1.813 13.887 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.900 0.169 13.982 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.244 -0.671 12.954 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.763 -0.109 14.583 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.124 -1.511 15.416 1.00 0.00 H new ATOM 0 HE ARG A 35 0.482 0.881 15.942 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -2.478 -0.848 16.854 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -2.542 -0.134 18.469 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.399 1.806 18.030 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -0.908 1.373 19.136 1.00 0.00 H new ATOM 502 N TRP A 36 -1.339 -4.510 14.037 1.00 0.00 N ATOM 503 CA TRP A 36 -2.706 -4.852 14.396 1.00 0.00 C ATOM 504 C TRP A 36 -2.781 -4.963 15.920 1.00 0.00 C ATOM 505 O TRP A 36 -1.764 -4.851 16.604 1.00 0.00 O ATOM 506 CB TRP A 36 -3.157 -6.127 13.681 1.00 0.00 C ATOM 507 CG TRP A 36 -2.502 -6.340 12.314 1.00 0.00 C ATOM 508 CD1 TRP A 36 -1.226 -6.652 12.051 1.00 0.00 C ATOM 509 CD2 TRP A 36 -3.148 -6.244 11.027 1.00 0.00 C ATOM 510 NE1 TRP A 36 -1.003 -6.763 10.693 1.00 0.00 N ATOM 511 CE2 TRP A 36 -2.209 -6.507 10.051 1.00 0.00 C ATOM 512 CE3 TRP A 36 -4.482 -5.944 10.698 1.00 0.00 C ATOM 513 CZ2 TRP A 36 -2.501 -6.496 8.682 1.00 0.00 C ATOM 514 CZ3 TRP A 36 -4.759 -5.937 9.327 1.00 0.00 C ATOM 515 CH2 TRP A 36 -3.825 -6.201 8.331 1.00 0.00 C ATOM 0 H TRP A 36 -0.663 -5.262 14.169 1.00 0.00 H new ATOM 0 HA TRP A 36 -3.397 -4.075 14.069 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -2.936 -6.985 14.316 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.239 -6.096 13.553 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -0.468 -6.798 12.806 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -0.116 -6.991 10.243 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -5.233 -5.735 11.445 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.747 -6.704 7.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -5.769 -5.711 9.020 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -4.119 -6.179 7.292 1.00 0.00 H new ATOM 525 N LYS A 37 -3.993 -5.182 16.406 1.00 0.00 N ATOM 526 CA LYS A 37 -4.214 -5.310 17.837 1.00 0.00 C ATOM 527 C LYS A 37 -3.747 -6.691 18.300 1.00 0.00 C ATOM 528 O LYS A 37 -3.601 -7.604 17.489 1.00 0.00 O ATOM 529 CB LYS A 37 -5.673 -5.005 18.183 1.00 0.00 C ATOM 530 CG LYS A 37 -6.430 -6.286 18.539 1.00 0.00 C ATOM 531 CD LYS A 37 -7.940 -6.042 18.558 1.00 0.00 C ATOM 532 CE LYS A 37 -8.709 -7.365 18.540 1.00 0.00 C ATOM 533 NZ LYS A 37 -8.612 -8.039 19.854 1.00 0.00 N ATOM 0 H LYS A 37 -4.833 -5.274 15.835 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.621 -4.575 18.381 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.714 -4.309 19.021 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.156 -4.515 17.338 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.193 -7.066 17.815 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.104 -6.646 19.515 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.209 -5.473 19.448 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.226 -5.439 17.696 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.755 -7.181 18.295 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.309 -8.014 17.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.139 -8.935 19.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.614 -8.232 20.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.015 -7.424 20.590 1.00 0.00 H new ATOM 543 N GLY A 38 -3.526 -6.801 19.602 1.00 0.00 N ATOM 544 CA GLY A 38 -3.079 -8.056 20.181 1.00 0.00 C ATOM 545 C GLY A 38 -1.577 -8.254 19.967 1.00 0.00 C ATOM 546 O GLY A 38 -0.842 -8.529 20.914 1.00 0.00 O ATOM 0 H GLY A 38 -3.648 -6.042 20.272 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.303 -8.069 21.248 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.626 -8.884 19.731 1.00 0.00 H new ATOM 550 N TYR A 39 -1.166 -8.109 18.716 1.00 0.00 N ATOM 551 CA TYR A 39 0.234 -8.269 18.365 1.00 0.00 C ATOM 552 C TYR A 39 1.067 -7.094 18.880 1.00 0.00 C ATOM 553 O TYR A 39 0.813 -5.945 18.521 1.00 0.00 O ATOM 554 CB TYR A 39 0.287 -8.285 16.836 1.00 0.00 C ATOM 555 CG TYR A 39 -0.432 -9.478 16.201 1.00 0.00 C ATOM 556 CD1 TYR A 39 0.119 -10.741 16.286 1.00 0.00 C ATOM 557 CD2 TYR A 39 -1.630 -9.290 15.543 1.00 0.00 C ATOM 558 CE1 TYR A 39 -0.558 -11.863 15.689 1.00 0.00 C ATOM 559 CE2 TYR A 39 -2.307 -10.412 14.945 1.00 0.00 C ATOM 560 CZ TYR A 39 -1.737 -11.642 15.048 1.00 0.00 C ATOM 561 OH TYR A 39 -2.377 -12.703 14.483 1.00 0.00 O ATOM 0 H TYR A 39 -1.779 -7.882 17.933 1.00 0.00 H new ATOM 0 HA TYR A 39 0.638 -9.180 18.807 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.156 -7.364 16.458 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.330 -8.291 16.519 1.00 0.00 H new ATOM 0 HD1 TYR A 39 1.057 -10.887 16.800 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -2.060 -8.302 15.476 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -0.139 -12.857 15.749 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -3.245 -10.279 14.427 1.00 0.00 H new ATOM 0 HH TYR A 39 -3.207 -12.397 14.061 1.00 0.00 H new ATOM 570 N ASP A 40 2.044 -7.421 19.712 1.00 0.00 N ATOM 571 CA ASP A 40 2.915 -6.407 20.281 1.00 0.00 C ATOM 572 C ASP A 40 3.461 -5.523 19.156 1.00 0.00 C ATOM 573 O ASP A 40 3.140 -5.730 17.988 1.00 0.00 O ATOM 574 CB ASP A 40 4.105 -7.043 21.001 1.00 0.00 C ATOM 575 CG ASP A 40 3.875 -7.349 22.483 1.00 0.00 C ATOM 576 OD1 ASP A 40 2.714 -7.658 22.825 1.00 0.00 O ATOM 577 OD2 ASP A 40 4.867 -7.266 23.239 1.00 0.00 O ATOM 0 H ASP A 40 2.252 -8.375 20.006 1.00 0.00 H new ATOM 0 HA ASP A 40 2.333 -5.823 20.994 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.367 -7.970 20.490 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.963 -6.377 20.912 1.00 0.00 H new ATOM 581 N SER A 41 4.277 -4.556 19.551 1.00 0.00 N ATOM 582 CA SER A 41 4.870 -3.639 18.593 1.00 0.00 C ATOM 583 C SER A 41 5.843 -4.392 17.683 1.00 0.00 C ATOM 584 O SER A 41 5.804 -4.237 16.463 1.00 0.00 O ATOM 585 CB SER A 41 5.587 -2.489 19.301 1.00 0.00 C ATOM 586 OG SER A 41 5.345 -1.237 18.665 1.00 0.00 O ATOM 0 H SER A 41 4.541 -4.388 20.522 1.00 0.00 H new ATOM 0 HA SER A 41 4.070 -3.213 17.987 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.256 -2.439 20.338 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.659 -2.686 19.318 1.00 0.00 H new ATOM 0 HG SER A 41 5.819 -0.528 19.148 1.00 0.00 H new ATOM 591 N GLU A 42 6.693 -5.190 18.311 1.00 0.00 N ATOM 592 CA GLU A 42 7.676 -5.966 17.573 1.00 0.00 C ATOM 593 C GLU A 42 7.093 -7.328 17.185 1.00 0.00 C ATOM 594 O GLU A 42 7.836 -8.266 16.903 1.00 0.00 O ATOM 595 CB GLU A 42 8.964 -6.131 18.382 1.00 0.00 C ATOM 596 CG GLU A 42 8.659 -6.579 19.813 1.00 0.00 C ATOM 597 CD GLU A 42 9.833 -7.362 20.404 1.00 0.00 C ATOM 598 OE1 GLU A 42 10.038 -8.509 19.948 1.00 0.00 O ATOM 599 OE2 GLU A 42 10.500 -6.798 21.298 1.00 0.00 O ATOM 0 H GLU A 42 6.722 -5.316 19.323 1.00 0.00 H new ATOM 0 HA GLU A 42 7.927 -5.426 16.660 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.610 -6.863 17.898 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.509 -5.187 18.401 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.449 -5.708 20.434 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.763 -7.199 19.821 1.00 0.00 H new ATOM 604 N ASP A 43 5.770 -7.391 17.185 1.00 0.00 N ATOM 605 CA ASP A 43 5.079 -8.621 16.837 1.00 0.00 C ATOM 606 C ASP A 43 4.374 -8.440 15.491 1.00 0.00 C ATOM 607 O ASP A 43 4.057 -9.420 14.817 1.00 0.00 O ATOM 608 CB ASP A 43 4.021 -8.973 17.883 1.00 0.00 C ATOM 609 CG ASP A 43 4.335 -10.206 18.732 1.00 0.00 C ATOM 610 OD1 ASP A 43 5.540 -10.437 18.973 1.00 0.00 O ATOM 611 OD2 ASP A 43 3.365 -10.889 19.123 1.00 0.00 O ATOM 0 H ASP A 43 5.158 -6.610 17.421 1.00 0.00 H new ATOM 0 HA ASP A 43 5.817 -9.422 16.789 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.889 -8.118 18.546 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.070 -9.133 17.376 1.00 0.00 H new ATOM 615 N ASP A 44 4.149 -7.183 15.141 1.00 0.00 N ATOM 616 CA ASP A 44 3.485 -6.863 13.889 1.00 0.00 C ATOM 617 C ASP A 44 3.993 -7.802 12.793 1.00 0.00 C ATOM 618 O ASP A 44 5.113 -8.304 12.871 1.00 0.00 O ATOM 619 CB ASP A 44 3.788 -5.426 13.457 1.00 0.00 C ATOM 620 CG ASP A 44 3.363 -4.348 14.456 1.00 0.00 C ATOM 621 OD1 ASP A 44 2.433 -4.636 15.240 1.00 0.00 O ATOM 622 OD2 ASP A 44 3.977 -3.260 14.412 1.00 0.00 O ATOM 0 H ASP A 44 4.415 -6.374 15.702 1.00 0.00 H new ATOM 0 HA ASP A 44 2.411 -6.977 14.038 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.860 -5.334 13.280 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.290 -5.236 12.506 1.00 0.00 H new ATOM 626 N THR A 45 3.144 -8.013 11.798 1.00 0.00 N ATOM 627 CA THR A 45 3.493 -8.883 10.688 1.00 0.00 C ATOM 628 C THR A 45 3.677 -8.067 9.407 1.00 0.00 C ATOM 629 O THR A 45 3.514 -6.848 9.415 1.00 0.00 O ATOM 630 CB THR A 45 2.412 -9.960 10.573 1.00 0.00 C ATOM 631 OG1 THR A 45 1.285 -9.264 10.047 1.00 0.00 O ATOM 632 CG2 THR A 45 1.936 -10.460 11.939 1.00 0.00 C ATOM 0 H THR A 45 2.215 -7.596 11.737 1.00 0.00 H new ATOM 0 HA THR A 45 4.449 -9.378 10.860 1.00 0.00 H new ATOM 0 HB THR A 45 2.795 -10.799 9.993 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.537 -9.888 9.939 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.170 -11.223 11.800 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.778 -10.887 12.484 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.521 -9.627 12.507 1.00 0.00 H new ATOM 640 N TRP A 46 4.012 -8.773 8.337 1.00 0.00 N ATOM 641 CA TRP A 46 4.219 -8.129 7.051 1.00 0.00 C ATOM 642 C TRP A 46 3.190 -8.692 6.069 1.00 0.00 C ATOM 643 O TRP A 46 3.198 -9.886 5.772 1.00 0.00 O ATOM 644 CB TRP A 46 5.661 -8.309 6.574 1.00 0.00 C ATOM 645 CG TRP A 46 6.687 -7.508 7.377 1.00 0.00 C ATOM 646 CD1 TRP A 46 7.190 -7.789 8.586 1.00 0.00 C ATOM 647 CD2 TRP A 46 7.320 -6.273 6.975 1.00 0.00 C ATOM 648 NE1 TRP A 46 8.097 -6.830 8.993 1.00 0.00 N ATOM 649 CE2 TRP A 46 8.177 -5.879 7.982 1.00 0.00 C ATOM 650 CE3 TRP A 46 7.171 -5.515 5.801 1.00 0.00 C ATOM 651 CZ2 TRP A 46 8.954 -4.717 7.916 1.00 0.00 C ATOM 652 CZ3 TRP A 46 7.954 -4.355 5.750 1.00 0.00 C ATOM 653 CH2 TRP A 46 8.822 -3.945 6.755 1.00 0.00 C ATOM 0 H TRP A 46 4.145 -9.784 8.334 1.00 0.00 H new ATOM 0 HA TRP A 46 4.071 -7.052 7.131 1.00 0.00 H new ATOM 0 HB2 TRP A 46 5.920 -9.366 6.625 1.00 0.00 H new ATOM 0 HB3 TRP A 46 5.726 -8.015 5.526 1.00 0.00 H new ATOM 0 HD1 TRP A 46 6.920 -8.657 9.170 1.00 0.00 H new ATOM 0 HE1 TRP A 46 8.613 -6.821 9.873 1.00 0.00 H new ATOM 0 HE3 TRP A 46 6.505 -5.804 5.001 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 9.619 -4.431 8.717 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 7.878 -3.736 4.868 1.00 0.00 H new ATOM 0 HH2 TRP A 46 9.392 -3.035 6.641 1.00 0.00 H new ATOM 663 N GLU A 47 2.327 -7.807 5.592 1.00 0.00 N ATOM 664 CA GLU A 47 1.293 -8.201 4.650 1.00 0.00 C ATOM 665 C GLU A 47 1.533 -7.537 3.292 1.00 0.00 C ATOM 666 O GLU A 47 1.809 -6.341 3.222 1.00 0.00 O ATOM 667 CB GLU A 47 -0.097 -7.860 5.189 1.00 0.00 C ATOM 668 CG GLU A 47 -0.277 -8.386 6.615 1.00 0.00 C ATOM 669 CD GLU A 47 -1.696 -8.914 6.830 1.00 0.00 C ATOM 670 OE1 GLU A 47 -2.639 -8.147 6.531 1.00 0.00 O ATOM 671 OE2 GLU A 47 -1.808 -10.071 7.289 1.00 0.00 O ATOM 0 H GLU A 47 2.323 -6.818 5.840 1.00 0.00 H new ATOM 0 HA GLU A 47 1.340 -9.282 4.518 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.241 -6.780 5.175 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.859 -8.292 4.540 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.444 -9.181 6.807 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.070 -7.589 7.329 1.00 0.00 H new ATOM 676 N PRO A 48 1.415 -8.365 2.220 1.00 0.00 N ATOM 677 CA PRO A 48 1.615 -7.872 0.868 1.00 0.00 C ATOM 678 C PRO A 48 0.417 -7.043 0.403 1.00 0.00 C ATOM 679 O PRO A 48 -0.726 -7.356 0.736 1.00 0.00 O ATOM 680 CB PRO A 48 1.840 -9.117 0.024 1.00 0.00 C ATOM 681 CG PRO A 48 1.298 -10.278 0.842 1.00 0.00 C ATOM 682 CD PRO A 48 1.089 -9.788 2.266 1.00 0.00 C ATOM 0 HA PRO A 48 2.465 -7.195 0.789 1.00 0.00 H new ATOM 0 HB2 PRO A 48 1.324 -9.039 -0.933 1.00 0.00 H new ATOM 0 HB3 PRO A 48 2.899 -9.254 -0.195 1.00 0.00 H new ATOM 0 HG2 PRO A 48 0.359 -10.637 0.420 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.996 -11.115 0.825 1.00 0.00 H new ATOM 0 HD2 PRO A 48 0.062 -9.949 2.593 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.733 -10.319 2.966 1.00 0.00 H new ATOM 687 N GLU A 49 0.717 -6.002 -0.359 1.00 0.00 N ATOM 688 CA GLU A 49 -0.322 -5.126 -0.873 1.00 0.00 C ATOM 689 C GLU A 49 -1.481 -5.951 -1.436 1.00 0.00 C ATOM 690 O GLU A 49 -2.641 -5.704 -1.108 1.00 0.00 O ATOM 691 CB GLU A 49 0.238 -4.173 -1.931 1.00 0.00 C ATOM 692 CG GLU A 49 -0.479 -2.822 -1.886 1.00 0.00 C ATOM 693 CD GLU A 49 -1.102 -2.486 -3.243 1.00 0.00 C ATOM 694 OE1 GLU A 49 -2.215 -2.994 -3.497 1.00 0.00 O ATOM 695 OE2 GLU A 49 -0.450 -1.730 -3.995 1.00 0.00 O ATOM 0 H GLU A 49 1.665 -5.745 -0.633 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.700 -4.520 -0.049 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.306 -4.028 -1.766 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.125 -4.616 -2.921 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.255 -2.844 -1.121 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.227 -2.041 -1.602 1.00 0.00 H new ATOM 700 N GLN A 50 -1.128 -6.913 -2.275 1.00 0.00 N ATOM 701 CA GLN A 50 -2.125 -7.775 -2.887 1.00 0.00 C ATOM 702 C GLN A 50 -3.056 -8.352 -1.819 1.00 0.00 C ATOM 703 O GLN A 50 -4.200 -8.697 -2.109 1.00 0.00 O ATOM 704 CB GLN A 50 -1.462 -8.891 -3.696 1.00 0.00 C ATOM 705 CG GLN A 50 -2.511 -9.781 -4.366 1.00 0.00 C ATOM 706 CD GLN A 50 -2.060 -10.203 -5.766 1.00 0.00 C ATOM 707 OE1 GLN A 50 -0.881 -10.286 -6.068 1.00 0.00 O ATOM 708 NE2 GLN A 50 -3.062 -10.463 -6.601 1.00 0.00 N ATOM 0 H GLN A 50 -0.166 -7.115 -2.546 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.721 -7.176 -3.576 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.810 -8.457 -4.454 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.832 -9.494 -3.042 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.686 -10.666 -3.754 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.459 -9.246 -4.431 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.027 -10.374 -6.283 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -2.865 -10.752 -7.559 1.00 0.00 H new ATOM 715 N HIS A 51 -2.529 -8.440 -0.606 1.00 0.00 N ATOM 716 CA HIS A 51 -3.299 -8.969 0.507 1.00 0.00 C ATOM 717 C HIS A 51 -4.046 -7.829 1.203 1.00 0.00 C ATOM 718 O HIS A 51 -5.131 -8.033 1.745 1.00 0.00 O ATOM 719 CB HIS A 51 -2.401 -9.759 1.462 1.00 0.00 C ATOM 720 CG HIS A 51 -1.956 -11.097 0.921 1.00 0.00 C ATOM 721 ND1 HIS A 51 -1.713 -11.505 -0.358 1.00 0.00 N flip ATOM 722 CD2 HIS A 51 -1.714 -12.190 1.733 1.00 0.00 C flip ATOM 723 CE1 HIS A 51 -1.341 -12.778 -0.328 1.00 0.00 C flip ATOM 724 NE2 HIS A 51 -1.341 -13.205 0.967 1.00 0.00 N flip ATOM 0 H HIS A 51 -1.579 -8.154 -0.370 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.045 -9.672 0.136 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -1.520 -9.161 1.694 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -2.935 -9.917 2.399 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -1.812 -12.213 2.808 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -1.081 -13.378 -1.188 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -1.097 -14.141 1.290 1.00 0.00 H new ATOM 731 N LEU A 52 -3.435 -6.654 1.164 1.00 0.00 N ATOM 732 CA LEU A 52 -4.029 -5.482 1.783 1.00 0.00 C ATOM 733 C LEU A 52 -5.065 -4.877 0.833 1.00 0.00 C ATOM 734 O LEU A 52 -4.994 -3.694 0.503 1.00 0.00 O ATOM 735 CB LEU A 52 -2.943 -4.495 2.216 1.00 0.00 C ATOM 736 CG LEU A 52 -1.934 -5.016 3.243 1.00 0.00 C ATOM 737 CD1 LEU A 52 -0.733 -4.076 3.358 1.00 0.00 C ATOM 738 CD2 LEU A 52 -2.606 -5.257 4.597 1.00 0.00 C ATOM 0 H LEU A 52 -2.535 -6.489 0.713 1.00 0.00 H new ATOM 0 HA LEU A 52 -4.556 -5.761 2.695 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.396 -4.175 1.329 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.428 -3.610 2.629 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.557 -5.977 2.895 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.032 -4.470 4.094 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.238 -3.999 2.390 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.072 -3.089 3.672 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.868 -5.627 5.309 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.028 -4.322 4.965 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.401 -5.994 4.483 1.00 0.00 H new ATOM 749 N VAL A 53 -6.004 -5.716 0.420 1.00 0.00 N ATOM 750 CA VAL A 53 -7.052 -5.279 -0.485 1.00 0.00 C ATOM 751 C VAL A 53 -7.985 -4.313 0.249 1.00 0.00 C ATOM 752 O VAL A 53 -8.222 -4.463 1.447 1.00 0.00 O ATOM 753 CB VAL A 53 -7.784 -6.493 -1.063 1.00 0.00 C ATOM 754 CG1 VAL A 53 -6.823 -7.665 -1.270 1.00 0.00 C ATOM 755 CG2 VAL A 53 -8.960 -6.898 -0.172 1.00 0.00 C ATOM 0 H VAL A 53 -6.060 -6.696 0.696 1.00 0.00 H new ATOM 0 HA VAL A 53 -6.625 -4.739 -1.331 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.183 -6.212 -2.038 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -7.368 -8.514 -1.681 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -6.034 -7.371 -1.962 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -6.381 -7.946 -0.314 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -9.463 -7.763 -0.605 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.593 -7.152 0.822 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -9.663 -6.068 -0.098 1.00 0.00 H new ATOM 765 N ASN A 54 -8.488 -3.343 -0.499 1.00 0.00 N ATOM 766 CA ASN A 54 -9.388 -2.353 0.065 1.00 0.00 C ATOM 767 C ASN A 54 -8.695 -1.645 1.231 1.00 0.00 C ATOM 768 O ASN A 54 -9.354 -1.032 2.070 1.00 0.00 O ATOM 769 CB ASN A 54 -10.663 -3.008 0.600 1.00 0.00 C ATOM 770 CG ASN A 54 -11.836 -2.791 -0.358 1.00 0.00 C ATOM 771 OD1 ASN A 54 -12.413 -1.720 -0.441 1.00 0.00 O ATOM 772 ND2 ASN A 54 -12.156 -3.865 -1.074 1.00 0.00 N ATOM 0 H ASN A 54 -8.289 -3.222 -1.492 1.00 0.00 H new ATOM 0 HA ASN A 54 -9.649 -1.647 -0.724 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -10.496 -4.076 0.740 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -10.906 -2.593 1.578 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -12.926 -3.822 -1.742 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -11.631 -4.732 -0.956 1.00 0.00 H new ATOM 778 N CYS A 55 -7.375 -1.753 1.245 1.00 0.00 N ATOM 779 CA CYS A 55 -6.586 -1.130 2.294 1.00 0.00 C ATOM 780 C CYS A 55 -5.558 -0.206 1.638 1.00 0.00 C ATOM 781 O CYS A 55 -4.648 0.289 2.303 1.00 0.00 O ATOM 782 CB CYS A 55 -5.921 -2.173 3.196 1.00 0.00 C ATOM 783 SG CYS A 55 -7.194 -3.072 4.155 1.00 0.00 S ATOM 0 H CYS A 55 -6.832 -2.262 0.547 1.00 0.00 H new ATOM 0 HA CYS A 55 -7.237 -0.545 2.943 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -5.346 -2.875 2.592 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -5.220 -1.686 3.874 1.00 0.00 H new ATOM 0 HG CYS A 55 -7.895 -3.818 3.353 1.00 0.00 H new ATOM 788 N GLU A 56 -5.737 -0.001 0.342 1.00 0.00 N ATOM 789 CA GLU A 56 -4.836 0.856 -0.412 1.00 0.00 C ATOM 790 C GLU A 56 -4.726 2.228 0.256 1.00 0.00 C ATOM 791 O GLU A 56 -3.657 2.837 0.258 1.00 0.00 O ATOM 792 CB GLU A 56 -5.295 0.990 -1.865 1.00 0.00 C ATOM 793 CG GLU A 56 -5.056 -0.310 -2.637 1.00 0.00 C ATOM 794 CD GLU A 56 -4.949 -0.044 -4.140 1.00 0.00 C ATOM 795 OE1 GLU A 56 -5.891 0.581 -4.675 1.00 0.00 O ATOM 796 OE2 GLU A 56 -3.928 -0.471 -4.721 1.00 0.00 O ATOM 0 H GLU A 56 -6.492 -0.413 -0.206 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.848 0.396 -0.418 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.354 1.245 -1.894 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.758 1.807 -2.346 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.141 -0.785 -2.282 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.872 -1.007 -2.445 1.00 0.00 H new ATOM 801 N GLU A 57 -5.845 2.674 0.809 1.00 0.00 N ATOM 802 CA GLU A 57 -5.886 3.963 1.478 1.00 0.00 C ATOM 803 C GLU A 57 -4.672 4.125 2.394 1.00 0.00 C ATOM 804 O GLU A 57 -3.804 4.959 2.140 1.00 0.00 O ATOM 805 CB GLU A 57 -7.190 4.132 2.261 1.00 0.00 C ATOM 806 CG GLU A 57 -7.300 5.542 2.844 1.00 0.00 C ATOM 807 CD GLU A 57 -8.224 5.559 4.064 1.00 0.00 C ATOM 808 OE1 GLU A 57 -7.707 5.295 5.171 1.00 0.00 O ATOM 809 OE2 GLU A 57 -9.425 5.837 3.863 1.00 0.00 O ATOM 0 H GLU A 57 -6.729 2.166 0.807 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.851 4.745 0.720 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.039 3.938 1.606 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.233 3.398 3.065 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.310 5.901 3.127 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.681 6.225 2.085 1.00 0.00 H new ATOM 814 N TYR A 58 -4.648 3.313 3.441 1.00 0.00 N ATOM 815 CA TYR A 58 -3.553 3.356 4.396 1.00 0.00 C ATOM 816 C TYR A 58 -2.202 3.374 3.680 1.00 0.00 C ATOM 817 O TYR A 58 -1.418 4.306 3.850 1.00 0.00 O ATOM 818 CB TYR A 58 -3.663 2.072 5.221 1.00 0.00 C ATOM 819 CG TYR A 58 -5.009 1.900 5.927 1.00 0.00 C ATOM 820 CD1 TYR A 58 -5.488 2.897 6.752 1.00 0.00 C ATOM 821 CD2 TYR A 58 -5.745 0.747 5.739 1.00 0.00 C ATOM 822 CE1 TYR A 58 -6.755 2.735 7.417 1.00 0.00 C ATOM 823 CE2 TYR A 58 -7.013 0.585 6.403 1.00 0.00 C ATOM 824 CZ TYR A 58 -7.455 1.587 7.210 1.00 0.00 C ATOM 825 OH TYR A 58 -8.652 1.434 7.837 1.00 0.00 O ATOM 0 H TYR A 58 -5.369 2.622 3.649 1.00 0.00 H new ATOM 0 HA TYR A 58 -3.614 4.254 5.010 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -3.495 1.216 4.567 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -2.869 2.063 5.968 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -4.913 3.799 6.899 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -5.370 -0.034 5.094 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -7.141 3.508 8.066 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -7.599 -0.311 6.263 1.00 0.00 H new ATOM 0 HH TYR A 58 -9.039 0.567 7.595 1.00 0.00 H new ATOM 834 N ILE A 59 -1.969 2.331 2.896 1.00 0.00 N ATOM 835 CA ILE A 59 -0.726 2.215 2.154 1.00 0.00 C ATOM 836 C ILE A 59 -0.412 3.552 1.481 1.00 0.00 C ATOM 837 O ILE A 59 0.712 4.045 1.563 1.00 0.00 O ATOM 838 CB ILE A 59 -0.791 1.037 1.180 1.00 0.00 C ATOM 839 CG1 ILE A 59 -0.964 -0.285 1.930 1.00 0.00 C ATOM 840 CG2 ILE A 59 0.433 1.017 0.261 1.00 0.00 C ATOM 841 CD1 ILE A 59 -1.771 -1.285 1.101 1.00 0.00 C ATOM 0 H ILE A 59 -2.621 1.559 2.759 1.00 0.00 H new ATOM 0 HA ILE A 59 0.101 1.995 2.829 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.668 1.166 0.546 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.014 -0.706 2.162 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -1.467 -0.105 2.880 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.362 0.170 -0.421 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.472 1.943 -0.313 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.338 0.924 0.862 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.879 -2.216 1.658 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.757 -0.871 0.891 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.253 -1.482 0.162 1.00 0.00 H new ATOM 852 N HIS A 60 -1.425 4.103 0.828 1.00 0.00 N ATOM 853 CA HIS A 60 -1.272 5.373 0.141 1.00 0.00 C ATOM 854 C HIS A 60 -0.811 6.441 1.134 1.00 0.00 C ATOM 855 O HIS A 60 0.112 7.203 0.848 1.00 0.00 O ATOM 856 CB HIS A 60 -2.563 5.757 -0.586 1.00 0.00 C ATOM 857 CG HIS A 60 -2.608 5.317 -2.030 1.00 0.00 C ATOM 858 ND1 HIS A 60 -2.160 6.114 -3.070 1.00 0.00 N ATOM 859 CD2 HIS A 60 -3.050 4.158 -2.596 1.00 0.00 C ATOM 860 CE1 HIS A 60 -2.332 5.452 -4.206 1.00 0.00 C ATOM 861 NE2 HIS A 60 -2.884 4.241 -3.910 1.00 0.00 N ATOM 0 H HIS A 60 -2.356 3.692 0.761 1.00 0.00 H new ATOM 0 HA HIS A 60 -0.504 5.285 -0.627 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -3.410 5.320 -0.057 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -2.684 6.839 -0.543 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -3.465 3.315 -2.064 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -2.079 5.810 -5.193 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -3.129 3.518 -4.587 1.00 0.00 H new ATOM 868 N ASP A 61 -1.475 6.465 2.280 1.00 0.00 N ATOM 869 CA ASP A 61 -1.145 7.427 3.318 1.00 0.00 C ATOM 870 C ASP A 61 0.295 7.199 3.779 1.00 0.00 C ATOM 871 O ASP A 61 1.095 8.132 3.812 1.00 0.00 O ATOM 872 CB ASP A 61 -2.061 7.264 4.532 1.00 0.00 C ATOM 873 CG ASP A 61 -2.454 8.570 5.225 1.00 0.00 C ATOM 874 OD1 ASP A 61 -3.039 9.428 4.530 1.00 0.00 O ATOM 875 OD2 ASP A 61 -2.161 8.680 6.435 1.00 0.00 O ATOM 0 H ASP A 61 -2.241 5.833 2.513 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.271 8.427 2.903 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.969 6.750 4.217 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.566 6.620 5.258 1.00 0.00 H new ATOM 879 N PHE A 62 0.583 5.953 4.124 1.00 0.00 N ATOM 880 CA PHE A 62 1.913 5.590 4.583 1.00 0.00 C ATOM 881 C PHE A 62 2.977 6.014 3.567 1.00 0.00 C ATOM 882 O PHE A 62 4.049 6.483 3.945 1.00 0.00 O ATOM 883 CB PHE A 62 1.938 4.067 4.724 1.00 0.00 C ATOM 884 CG PHE A 62 3.344 3.463 4.694 1.00 0.00 C ATOM 885 CD1 PHE A 62 4.041 3.305 5.851 1.00 0.00 C ATOM 886 CD2 PHE A 62 3.896 3.083 3.511 1.00 0.00 C ATOM 887 CE1 PHE A 62 5.344 2.744 5.824 1.00 0.00 C ATOM 888 CE2 PHE A 62 5.199 2.522 3.483 1.00 0.00 C ATOM 889 CZ PHE A 62 5.897 2.364 4.640 1.00 0.00 C ATOM 0 H PHE A 62 -0.083 5.181 4.095 1.00 0.00 H new ATOM 0 HA PHE A 62 2.130 6.089 5.527 1.00 0.00 H new ATOM 0 HB2 PHE A 62 1.455 3.791 5.661 1.00 0.00 H new ATOM 0 HB3 PHE A 62 1.348 3.628 3.920 1.00 0.00 H new ATOM 0 HD1 PHE A 62 3.603 3.607 6.791 1.00 0.00 H new ATOM 0 HD2 PHE A 62 3.342 3.208 2.592 1.00 0.00 H new ATOM 0 HE1 PHE A 62 5.897 2.619 6.743 1.00 0.00 H new ATOM 0 HE2 PHE A 62 5.637 2.220 2.543 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.889 1.937 4.619 1.00 0.00 H new ATOM 898 N ASN A 63 2.642 5.833 2.298 1.00 0.00 N ATOM 899 CA ASN A 63 3.556 6.191 1.226 1.00 0.00 C ATOM 900 C ASN A 63 3.862 7.688 1.300 1.00 0.00 C ATOM 901 O ASN A 63 5.026 8.087 1.312 1.00 0.00 O ATOM 902 CB ASN A 63 2.936 5.903 -0.143 1.00 0.00 C ATOM 903 CG ASN A 63 3.732 4.831 -0.891 1.00 0.00 C ATOM 904 OD1 ASN A 63 4.803 5.073 -1.422 1.00 0.00 O ATOM 905 ND2 ASN A 63 3.149 3.636 -0.902 1.00 0.00 N ATOM 0 H ASN A 63 1.752 5.444 1.988 1.00 0.00 H new ATOM 0 HA ASN A 63 4.463 5.599 1.344 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.905 5.574 -0.017 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.908 6.819 -0.734 1.00 0.00 H new ATOM 0 HD21 ASN A 63 3.600 2.853 -1.375 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.251 3.502 -0.437 1.00 0.00 H new ATOM 911 N ARG A 64 2.799 8.476 1.350 1.00 0.00 N ATOM 912 CA ARG A 64 2.939 9.920 1.423 1.00 0.00 C ATOM 913 C ARG A 64 3.803 10.308 2.625 1.00 0.00 C ATOM 914 O ARG A 64 4.806 11.004 2.474 1.00 0.00 O ATOM 915 CB ARG A 64 1.575 10.602 1.544 1.00 0.00 C ATOM 916 CG ARG A 64 0.676 10.241 0.360 1.00 0.00 C ATOM 917 CD ARG A 64 0.829 11.256 -0.775 1.00 0.00 C ATOM 918 NE ARG A 64 0.814 10.561 -2.081 1.00 0.00 N ATOM 919 CZ ARG A 64 -0.303 10.217 -2.737 1.00 0.00 C ATOM 920 NH1 ARG A 64 -1.502 10.502 -2.211 1.00 0.00 N ATOM 921 NH2 ARG A 64 -0.220 9.589 -3.917 1.00 0.00 N ATOM 0 H ARG A 64 1.836 8.141 1.341 1.00 0.00 H new ATOM 0 HA ARG A 64 3.418 10.253 0.502 1.00 0.00 H new ATOM 0 HB2 ARG A 64 1.095 10.301 2.475 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.707 11.683 1.589 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.929 9.244 -0.002 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -0.364 10.208 0.685 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.020 11.986 -0.733 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.762 11.807 -0.658 1.00 0.00 H new ATOM 0 HE ARG A 64 1.710 10.329 -2.509 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -1.564 10.980 -1.312 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -2.353 10.241 -2.709 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.693 9.373 -4.316 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -1.070 9.327 -4.416 1.00 0.00 H new ATOM 932 N ARG A 65 3.382 9.841 3.792 1.00 0.00 N ATOM 933 CA ARG A 65 4.105 10.132 5.018 1.00 0.00 C ATOM 934 C ARG A 65 5.586 9.782 4.857 1.00 0.00 C ATOM 935 O ARG A 65 6.454 10.618 5.103 1.00 0.00 O ATOM 936 CB ARG A 65 3.529 9.343 6.196 1.00 0.00 C ATOM 937 CG ARG A 65 2.609 10.224 7.046 1.00 0.00 C ATOM 938 CD ARG A 65 3.412 11.278 7.811 1.00 0.00 C ATOM 939 NE ARG A 65 3.974 10.689 9.046 1.00 0.00 N ATOM 940 CZ ARG A 65 4.497 11.405 10.050 1.00 0.00 C ATOM 941 NH1 ARG A 65 4.532 12.743 9.971 1.00 0.00 N ATOM 942 NH2 ARG A 65 4.984 10.785 11.134 1.00 0.00 N ATOM 0 H ARG A 65 2.550 9.264 3.914 1.00 0.00 H new ATOM 0 HA ARG A 65 3.999 11.198 5.220 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.973 8.482 5.825 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.341 8.957 6.812 1.00 0.00 H new ATOM 0 HG2 ARG A 65 1.876 10.714 6.406 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.054 9.604 7.749 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.216 11.661 7.183 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.772 12.124 8.061 1.00 0.00 H new ATOM 0 HE ARG A 65 3.963 9.673 9.139 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.160 13.215 9.147 1.00 0.00 H new ATOM 0 HH12 ARG A 65 4.930 13.289 10.735 1.00 0.00 H new ATOM 0 HH21 ARG A 65 4.957 9.767 11.195 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.382 11.331 11.898 1.00 0.00 H new