USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=8 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= 0.00261 USER MOD Set 1.2: A 63 ASN : amide:sc= -0.0487 X(o=-0.046,f=0.0027) USER MOD Single : A 22 LYS NZ :NH3+ -148:sc= -0.297 (180deg=-1.47!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -7! C(o=-7!,f=-8.3!) 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 103:sc= 0.504 USER MOD Single : A 50 GLN : amide:sc= -0.2 K(o=-0.2,f=-1.6!) USER MOD Single : A 51 HIS : no HD1:sc= -1.94! C(o=-1.9!,f=-1.9!) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -0.22 X(o=-0.22,f=0) USER MOD ----------------------------------------------------------------- ATOM 161 N GLU A 15 -9.030 -5.530 10.543 1.00 0.00 N ATOM 162 CA GLU A 15 -8.872 -4.312 9.768 1.00 0.00 C ATOM 163 C GLU A 15 -7.443 -3.779 9.903 1.00 0.00 C ATOM 164 O GLU A 15 -6.838 -3.877 10.970 1.00 0.00 O ATOM 165 CB GLU A 15 -9.892 -3.255 10.192 1.00 0.00 C ATOM 166 CG GLU A 15 -9.553 -2.686 11.571 1.00 0.00 C ATOM 167 CD GLU A 15 -10.731 -2.847 12.535 1.00 0.00 C ATOM 168 OE1 GLU A 15 -11.865 -2.555 12.098 1.00 0.00 O ATOM 169 OE2 GLU A 15 -10.471 -3.258 13.686 1.00 0.00 O ATOM 0 HA GLU A 15 -9.055 -4.546 8.719 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.913 -2.450 9.458 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.889 -3.694 10.211 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.677 -3.195 11.973 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.295 -1.631 11.480 1.00 0.00 H new ATOM 174 N VAL A 16 -6.945 -3.227 8.807 1.00 0.00 N ATOM 175 CA VAL A 16 -5.600 -2.679 8.789 1.00 0.00 C ATOM 176 C VAL A 16 -5.572 -1.378 9.594 1.00 0.00 C ATOM 177 O VAL A 16 -6.230 -0.405 9.231 1.00 0.00 O ATOM 178 CB VAL A 16 -5.126 -2.499 7.345 1.00 0.00 C ATOM 179 CG1 VAL A 16 -4.016 -1.449 7.259 1.00 0.00 C ATOM 180 CG2 VAL A 16 -4.671 -3.830 6.746 1.00 0.00 C ATOM 0 H VAL A 16 -7.449 -3.147 7.924 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.901 -3.369 9.262 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.971 -2.141 6.758 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.697 -1.341 6.222 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -4.390 -0.493 7.625 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.169 -1.764 7.868 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.340 -3.673 5.720 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.847 -4.232 7.336 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.502 -4.536 6.755 1.00 0.00 H new ATOM 190 N GLU A 17 -4.805 -1.404 10.674 1.00 0.00 N ATOM 191 CA GLU A 17 -4.684 -0.239 11.533 1.00 0.00 C ATOM 192 C GLU A 17 -3.886 0.860 10.829 1.00 0.00 C ATOM 193 O GLU A 17 -4.341 1.999 10.735 1.00 0.00 O ATOM 194 CB GLU A 17 -4.042 -0.610 12.872 1.00 0.00 C ATOM 195 CG GLU A 17 -3.461 0.625 13.562 1.00 0.00 C ATOM 196 CD GLU A 17 -3.013 0.296 14.988 1.00 0.00 C ATOM 197 OE1 GLU A 17 -1.845 -0.125 15.135 1.00 0.00 O ATOM 198 OE2 GLU A 17 -3.849 0.473 15.900 1.00 0.00 O ATOM 0 H GLU A 17 -4.261 -2.213 10.974 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.684 0.141 11.739 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.785 -1.077 13.519 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.254 -1.345 12.710 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.614 1.002 12.989 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.208 1.418 13.585 1.00 0.00 H new ATOM 203 N ARG A 18 -2.710 0.480 10.352 1.00 0.00 N ATOM 204 CA ARG A 18 -1.845 1.419 9.659 1.00 0.00 C ATOM 205 C ARG A 18 -0.530 0.740 9.268 1.00 0.00 C ATOM 206 O ARG A 18 -0.245 -0.371 9.711 1.00 0.00 O ATOM 207 CB ARG A 18 -1.541 2.637 10.534 1.00 0.00 C ATOM 208 CG ARG A 18 -0.341 2.373 11.444 1.00 0.00 C ATOM 209 CD ARG A 18 -0.085 3.562 12.373 1.00 0.00 C ATOM 210 NE ARG A 18 0.254 4.762 11.576 1.00 0.00 N ATOM 211 CZ ARG A 18 0.426 5.985 12.097 1.00 0.00 C ATOM 212 NH1 ARG A 18 0.292 6.176 13.417 1.00 0.00 N ATOM 213 NH2 ARG A 18 0.731 7.016 11.298 1.00 0.00 N ATOM 0 H ARG A 18 -2.336 -0.466 10.432 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.368 1.751 8.762 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.339 3.502 9.902 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.414 2.881 11.139 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.520 1.476 12.037 1.00 0.00 H new ATOM 0 HG3 ARG A 18 0.545 2.183 10.838 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -0.969 3.756 12.981 1.00 0.00 H new ATOM 0 HD3 ARG A 18 0.729 3.329 13.060 1.00 0.00 H new ATOM 0 HE ARG A 18 0.364 4.652 10.568 1.00 0.00 H new ATOM 0 HH11 ARG A 18 0.059 5.391 14.025 1.00 0.00 H new ATOM 0 HH12 ARG A 18 0.423 7.107 13.814 1.00 0.00 H new ATOM 0 HH21 ARG A 18 0.832 6.870 10.294 1.00 0.00 H new ATOM 0 HH22 ARG A 18 0.862 7.947 11.694 1.00 0.00 H new ATOM 224 N ILE A 19 0.237 1.438 8.442 1.00 0.00 N ATOM 225 CA ILE A 19 1.514 0.917 7.987 1.00 0.00 C ATOM 226 C ILE A 19 2.635 1.506 8.846 1.00 0.00 C ATOM 227 O ILE A 19 2.710 2.720 9.027 1.00 0.00 O ATOM 228 CB ILE A 19 1.691 1.166 6.488 1.00 0.00 C ATOM 229 CG1 ILE A 19 0.378 0.939 5.736 1.00 0.00 C ATOM 230 CG2 ILE A 19 2.831 0.318 5.922 1.00 0.00 C ATOM 231 CD1 ILE A 19 0.062 -0.554 5.622 1.00 0.00 C ATOM 0 H ILE A 19 -0.002 2.360 8.077 1.00 0.00 H new ATOM 0 HA ILE A 19 1.551 -0.165 8.113 1.00 0.00 H new ATOM 0 HB ILE A 19 1.967 2.211 6.345 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.435 1.448 6.254 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.445 1.377 4.740 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.935 0.514 4.855 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.761 0.573 6.430 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.610 -0.738 6.077 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.876 -0.687 5.083 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.865 -1.056 5.082 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.028 -0.984 6.620 1.00 0.00 H new ATOM 242 N VAL A 20 3.479 0.619 9.350 1.00 0.00 N ATOM 243 CA VAL A 20 4.594 1.036 10.185 1.00 0.00 C ATOM 244 C VAL A 20 5.899 0.870 9.404 1.00 0.00 C ATOM 245 O VAL A 20 6.898 1.519 9.714 1.00 0.00 O ATOM 246 CB VAL A 20 4.581 0.257 11.502 1.00 0.00 C ATOM 247 CG1 VAL A 20 4.436 1.202 12.696 1.00 0.00 C ATOM 248 CG2 VAL A 20 3.476 -0.801 11.502 1.00 0.00 C ATOM 0 H VAL A 20 3.414 -0.387 9.197 1.00 0.00 H new ATOM 0 HA VAL A 20 4.503 2.090 10.446 1.00 0.00 H new ATOM 0 HB VAL A 20 5.537 -0.258 11.597 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.429 0.623 13.620 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.273 1.900 12.711 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.502 1.757 12.609 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.489 -1.340 12.449 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.508 -0.316 11.373 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.643 -1.501 10.684 1.00 0.00 H new ATOM 258 N ASP A 21 5.850 -0.001 8.408 1.00 0.00 N ATOM 259 CA ASP A 21 7.016 -0.261 7.582 1.00 0.00 C ATOM 260 C ASP A 21 6.572 -0.911 6.270 1.00 0.00 C ATOM 261 O ASP A 21 5.406 -1.272 6.115 1.00 0.00 O ATOM 262 CB ASP A 21 7.985 -1.217 8.279 1.00 0.00 C ATOM 263 CG ASP A 21 9.455 -1.045 7.891 1.00 0.00 C ATOM 264 OD1 ASP A 21 9.736 -0.084 7.143 1.00 0.00 O ATOM 265 OD2 ASP A 21 10.264 -1.879 8.351 1.00 0.00 O ATOM 0 H ASP A 21 5.020 -0.536 8.154 1.00 0.00 H new ATOM 0 HA ASP A 21 7.517 0.690 7.400 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.891 -1.083 9.357 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.684 -2.241 8.057 1.00 0.00 H new ATOM 269 N LYS A 22 7.525 -1.042 5.359 1.00 0.00 N ATOM 270 CA LYS A 22 7.247 -1.645 4.065 1.00 0.00 C ATOM 271 C LYS A 22 8.544 -2.205 3.480 1.00 0.00 C ATOM 272 O LYS A 22 9.599 -1.579 3.583 1.00 0.00 O ATOM 273 CB LYS A 22 6.540 -0.643 3.150 1.00 0.00 C ATOM 274 CG LYS A 22 6.379 -1.210 1.738 1.00 0.00 C ATOM 275 CD LYS A 22 6.687 -0.148 0.681 1.00 0.00 C ATOM 276 CE LYS A 22 7.358 -0.770 -0.543 1.00 0.00 C ATOM 277 NZ LYS A 22 8.580 -1.506 -0.148 1.00 0.00 N ATOM 0 H LYS A 22 8.491 -0.741 5.491 1.00 0.00 H new ATOM 0 HA LYS A 22 6.559 -2.483 4.173 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.561 -0.397 3.561 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.111 0.285 3.110 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.045 -2.063 1.607 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.362 -1.577 1.604 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.765 0.349 0.381 1.00 0.00 H new ATOM 0 HD3 LYS A 22 7.337 0.616 1.107 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.664 -1.447 -1.041 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.612 0.010 -1.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 9.280 -1.453 -0.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.978 -1.081 0.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.342 -2.502 0.035 1.00 0.00 H new ATOM 287 N ARG A 23 8.426 -3.378 2.875 1.00 0.00 N ATOM 288 CA ARG A 23 9.575 -4.029 2.271 1.00 0.00 C ATOM 289 C ARG A 23 9.122 -5.011 1.189 1.00 0.00 C ATOM 290 O ARG A 23 7.925 -5.228 1.004 1.00 0.00 O ATOM 291 CB ARG A 23 10.396 -4.782 3.322 1.00 0.00 C ATOM 292 CG ARG A 23 11.750 -4.108 3.545 1.00 0.00 C ATOM 293 CD ARG A 23 12.869 -5.148 3.653 1.00 0.00 C ATOM 294 NE ARG A 23 14.059 -4.545 4.293 1.00 0.00 N ATOM 295 CZ ARG A 23 14.899 -3.704 3.675 1.00 0.00 C ATOM 296 NH1 ARG A 23 14.684 -3.359 2.399 1.00 0.00 N ATOM 297 NH2 ARG A 23 15.954 -3.206 4.335 1.00 0.00 N ATOM 0 H ARG A 23 7.551 -3.895 2.790 1.00 0.00 H new ATOM 0 HA ARG A 23 10.198 -3.254 1.825 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.845 -4.819 4.262 1.00 0.00 H new ATOM 0 HB3 ARG A 23 10.547 -5.813 3.001 1.00 0.00 H new ATOM 0 HG2 ARG A 23 11.961 -3.426 2.721 1.00 0.00 H new ATOM 0 HG3 ARG A 23 11.717 -3.509 4.455 1.00 0.00 H new ATOM 0 HD2 ARG A 23 12.527 -6.004 4.235 1.00 0.00 H new ATOM 0 HD3 ARG A 23 13.128 -5.520 2.662 1.00 0.00 H new ATOM 0 HE ARG A 23 14.252 -4.785 5.266 1.00 0.00 H new ATOM 0 HH11 ARG A 23 13.880 -3.737 1.897 1.00 0.00 H new ATOM 0 HH12 ARG A 23 15.324 -2.719 1.929 1.00 0.00 H new ATOM 0 HH21 ARG A 23 16.117 -3.467 5.307 1.00 0.00 H new ATOM 0 HH22 ARG A 23 16.594 -2.566 3.865 1.00 0.00 H new ATOM 308 N LYS A 24 10.102 -5.577 0.500 1.00 0.00 N ATOM 309 CA LYS A 24 9.818 -6.530 -0.559 1.00 0.00 C ATOM 310 C LYS A 24 10.443 -7.882 -0.204 1.00 0.00 C ATOM 311 O LYS A 24 11.388 -7.945 0.582 1.00 0.00 O ATOM 312 CB LYS A 24 10.274 -5.978 -1.912 1.00 0.00 C ATOM 313 CG LYS A 24 9.112 -5.945 -2.908 1.00 0.00 C ATOM 314 CD LYS A 24 9.574 -5.423 -4.270 1.00 0.00 C ATOM 315 CE LYS A 24 9.893 -3.927 -4.205 1.00 0.00 C ATOM 316 NZ LYS A 24 11.044 -3.605 -5.077 1.00 0.00 N ATOM 0 H LYS A 24 11.093 -5.394 0.655 1.00 0.00 H new ATOM 0 HA LYS A 24 8.744 -6.689 -0.651 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.676 -4.973 -1.783 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.080 -6.595 -2.308 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.696 -6.946 -3.020 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.315 -5.310 -2.522 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.458 -5.973 -4.594 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.798 -5.601 -5.014 1.00 0.00 H new ATOM 0 HE2 LYS A 24 9.022 -3.349 -4.514 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.116 -3.641 -3.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.247 -2.587 -5.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.878 -4.142 -4.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.817 -3.860 -6.059 1.00 0.00 H new ATOM 326 N ASN A 25 9.892 -8.927 -0.801 1.00 0.00 N ATOM 327 CA ASN A 25 10.383 -10.273 -0.558 1.00 0.00 C ATOM 328 C ASN A 25 11.388 -10.649 -1.649 1.00 0.00 C ATOM 329 O ASN A 25 11.528 -9.936 -2.642 1.00 0.00 O ATOM 330 CB ASN A 25 9.242 -11.291 -0.595 1.00 0.00 C ATOM 331 CG ASN A 25 8.628 -11.478 0.794 1.00 0.00 C ATOM 332 OD1 ASN A 25 9.253 -11.239 1.814 1.00 0.00 O ATOM 333 ND2 ASN A 25 7.374 -11.917 0.776 1.00 0.00 N ATOM 0 H ASN A 25 9.110 -8.870 -1.453 1.00 0.00 H new ATOM 0 HA ASN A 25 10.848 -10.289 0.428 1.00 0.00 H new ATOM 0 HB2 ASN A 25 8.475 -10.957 -1.294 1.00 0.00 H new ATOM 0 HB3 ASN A 25 9.615 -12.247 -0.963 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.876 -12.074 1.652 1.00 0.00 H new ATOM 0 HD22 ASN A 25 6.909 -12.097 -0.114 1.00 0.00 H new ATOM 339 N LYS A 26 12.061 -11.769 -1.429 1.00 0.00 N ATOM 340 CA LYS A 26 13.049 -12.248 -2.381 1.00 0.00 C ATOM 341 C LYS A 26 12.394 -12.401 -3.756 1.00 0.00 C ATOM 342 O LYS A 26 13.040 -12.197 -4.781 1.00 0.00 O ATOM 343 CB LYS A 26 13.709 -13.529 -1.868 1.00 0.00 C ATOM 344 CG LYS A 26 14.930 -13.893 -2.714 1.00 0.00 C ATOM 345 CD LYS A 26 14.628 -15.079 -3.633 1.00 0.00 C ATOM 346 CE LYS A 26 14.232 -16.314 -2.822 1.00 0.00 C ATOM 347 NZ LYS A 26 15.117 -17.454 -3.148 1.00 0.00 N ATOM 0 H LYS A 26 11.942 -12.359 -0.605 1.00 0.00 H new ATOM 0 HA LYS A 26 13.856 -11.523 -2.491 1.00 0.00 H new ATOM 0 HB2 LYS A 26 14.009 -13.397 -0.828 1.00 0.00 H new ATOM 0 HB3 LYS A 26 12.989 -14.347 -1.891 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.232 -13.033 -3.312 1.00 0.00 H new ATOM 0 HG3 LYS A 26 15.768 -14.138 -2.062 1.00 0.00 H new ATOM 0 HD2 LYS A 26 13.823 -14.816 -4.319 1.00 0.00 H new ATOM 0 HD3 LYS A 26 15.504 -15.305 -4.241 1.00 0.00 H new ATOM 0 HE2 LYS A 26 14.293 -16.092 -1.757 1.00 0.00 H new ATOM 0 HE3 LYS A 26 13.196 -16.578 -3.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 14.834 -18.284 -2.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 15.038 -17.676 -4.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 16.101 -17.204 -2.924 1.00 0.00 H new ATOM 357 N LYS A 27 11.118 -12.758 -3.731 1.00 0.00 N ATOM 358 CA LYS A 27 10.368 -12.941 -4.962 1.00 0.00 C ATOM 359 C LYS A 27 10.151 -11.581 -5.628 1.00 0.00 C ATOM 360 O LYS A 27 10.118 -11.483 -6.853 1.00 0.00 O ATOM 361 CB LYS A 27 9.072 -13.708 -4.691 1.00 0.00 C ATOM 362 CG LYS A 27 9.336 -15.212 -4.588 1.00 0.00 C ATOM 363 CD LYS A 27 8.381 -15.998 -5.489 1.00 0.00 C ATOM 364 CE LYS A 27 9.050 -16.359 -6.817 1.00 0.00 C ATOM 365 NZ LYS A 27 8.754 -15.332 -7.841 1.00 0.00 N ATOM 0 H LYS A 27 10.585 -12.925 -2.878 1.00 0.00 H new ATOM 0 HA LYS A 27 10.932 -13.554 -5.665 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.620 -13.350 -3.766 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.357 -13.515 -5.491 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.367 -15.424 -4.871 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.216 -15.536 -3.554 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.061 -16.907 -4.980 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.485 -15.407 -5.678 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.128 -16.442 -6.677 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.696 -17.333 -7.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.215 -15.592 -8.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.726 -15.272 -7.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.113 -14.410 -7.521 1.00 0.00 H new ATOM 375 N GLY A 28 10.006 -10.565 -4.790 1.00 0.00 N ATOM 376 CA GLY A 28 9.793 -9.214 -5.283 1.00 0.00 C ATOM 377 C GLY A 28 8.376 -8.731 -4.962 1.00 0.00 C ATOM 378 O GLY A 28 7.884 -7.788 -5.578 1.00 0.00 O ATOM 0 H GLY A 28 10.032 -10.650 -3.774 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.522 -8.540 -4.833 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.955 -9.186 -6.360 1.00 0.00 H new ATOM 382 N LYS A 29 7.762 -9.401 -3.997 1.00 0.00 N ATOM 383 CA LYS A 29 6.412 -9.052 -3.587 1.00 0.00 C ATOM 384 C LYS A 29 6.472 -7.913 -2.568 1.00 0.00 C ATOM 385 O LYS A 29 7.294 -7.936 -1.652 1.00 0.00 O ATOM 386 CB LYS A 29 5.669 -10.290 -3.082 1.00 0.00 C ATOM 387 CG LYS A 29 5.637 -11.384 -4.152 1.00 0.00 C ATOM 388 CD LYS A 29 4.301 -11.382 -4.898 1.00 0.00 C ATOM 389 CE LYS A 29 3.452 -12.593 -4.504 1.00 0.00 C ATOM 390 NZ LYS A 29 2.300 -12.169 -3.675 1.00 0.00 N ATOM 0 H LYS A 29 8.174 -10.183 -3.488 1.00 0.00 H new ATOM 0 HA LYS A 29 5.837 -8.689 -4.439 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.155 -10.669 -2.183 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.651 -10.019 -2.803 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.453 -11.230 -4.859 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.797 -12.357 -3.687 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.757 -10.464 -4.675 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.480 -11.393 -5.973 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.096 -13.102 -5.400 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.062 -13.308 -3.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.734 -13.002 -3.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.646 -11.703 -2.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.710 -11.504 -4.215 1.00 0.00 H new ATOM 400 N THR A 30 5.590 -6.942 -2.760 1.00 0.00 N ATOM 401 CA THR A 30 5.533 -5.796 -1.869 1.00 0.00 C ATOM 402 C THR A 30 4.837 -6.174 -0.559 1.00 0.00 C ATOM 403 O THR A 30 3.691 -6.619 -0.566 1.00 0.00 O ATOM 404 CB THR A 30 4.844 -4.652 -2.614 1.00 0.00 C ATOM 405 OG1 THR A 30 5.610 -4.502 -3.806 1.00 0.00 O ATOM 406 CG2 THR A 30 5.001 -3.308 -1.899 1.00 0.00 C ATOM 0 H THR A 30 4.909 -6.926 -3.520 1.00 0.00 H new ATOM 0 HA THR A 30 6.532 -5.464 -1.587 1.00 0.00 H new ATOM 0 HB THR A 30 3.784 -4.881 -2.728 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.231 -3.781 -4.350 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.493 -2.531 -2.470 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.562 -3.372 -0.903 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.060 -3.063 -1.814 1.00 0.00 H new ATOM 414 N GLU A 31 5.562 -5.982 0.535 1.00 0.00 N ATOM 415 CA GLU A 31 5.029 -6.297 1.849 1.00 0.00 C ATOM 416 C GLU A 31 5.015 -5.046 2.730 1.00 0.00 C ATOM 417 O GLU A 31 6.045 -4.400 2.913 1.00 0.00 O ATOM 418 CB GLU A 31 5.827 -7.423 2.509 1.00 0.00 C ATOM 419 CG GLU A 31 5.610 -8.750 1.778 1.00 0.00 C ATOM 420 CD GLU A 31 6.879 -9.182 1.040 1.00 0.00 C ATOM 421 OE1 GLU A 31 7.966 -9.015 1.633 1.00 0.00 O ATOM 422 OE2 GLU A 31 6.731 -9.671 -0.101 1.00 0.00 O ATOM 0 H GLU A 31 6.513 -5.613 0.537 1.00 0.00 H new ATOM 0 HA GLU A 31 4.003 -6.645 1.729 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.888 -7.172 2.507 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.526 -7.524 3.552 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.320 -9.520 2.493 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.789 -8.649 1.068 1.00 0.00 H new ATOM 427 N TYR A 32 3.835 -4.742 3.251 1.00 0.00 N ATOM 428 CA TYR A 32 3.674 -3.579 4.109 1.00 0.00 C ATOM 429 C TYR A 32 3.430 -3.998 5.560 1.00 0.00 C ATOM 430 O TYR A 32 2.525 -4.783 5.840 1.00 0.00 O ATOM 431 CB TYR A 32 2.439 -2.840 3.588 1.00 0.00 C ATOM 432 CG TYR A 32 2.686 -2.039 2.308 1.00 0.00 C ATOM 433 CD1 TYR A 32 3.289 -0.800 2.375 1.00 0.00 C ATOM 434 CD2 TYR A 32 2.307 -2.558 1.087 1.00 0.00 C ATOM 435 CE1 TYR A 32 3.520 -0.047 1.171 1.00 0.00 C ATOM 436 CE2 TYR A 32 2.539 -1.804 -0.118 1.00 0.00 C ATOM 437 CZ TYR A 32 3.134 -0.586 -0.017 1.00 0.00 C ATOM 438 OH TYR A 32 3.355 0.126 -1.154 1.00 0.00 O ATOM 0 H TYR A 32 2.982 -5.280 3.096 1.00 0.00 H new ATOM 0 HA TYR A 32 4.571 -2.960 4.090 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.646 -3.565 3.403 1.00 0.00 H new ATOM 0 HB3 TYR A 32 2.079 -2.164 4.363 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.588 -0.395 3.331 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.837 -3.529 1.035 1.00 0.00 H new ATOM 0 HE1 TYR A 32 3.990 0.925 1.209 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.247 -2.198 -1.080 1.00 0.00 H new ATOM 0 HH TYR A 32 3.030 -0.382 -1.926 1.00 0.00 H new ATOM 447 N LEU A 33 4.253 -3.455 6.445 1.00 0.00 N ATOM 448 CA LEU A 33 4.138 -3.763 7.861 1.00 0.00 C ATOM 449 C LEU A 33 2.908 -3.056 8.433 1.00 0.00 C ATOM 450 O LEU A 33 2.869 -1.829 8.505 1.00 0.00 O ATOM 451 CB LEU A 33 5.439 -3.420 8.590 1.00 0.00 C ATOM 452 CG LEU A 33 5.400 -3.528 10.116 1.00 0.00 C ATOM 453 CD1 LEU A 33 5.841 -4.917 10.580 1.00 0.00 C ATOM 454 CD2 LEU A 33 6.228 -2.417 10.765 1.00 0.00 C ATOM 0 H LEU A 33 5.002 -2.804 6.209 1.00 0.00 H new ATOM 0 HA LEU A 33 3.989 -4.833 8.008 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.225 -4.078 8.219 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.724 -2.402 8.325 1.00 0.00 H new ATOM 0 HG LEU A 33 4.368 -3.393 10.441 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.804 -4.966 11.668 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.174 -5.670 10.160 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.860 -5.107 10.243 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.184 -2.516 11.850 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.264 -2.496 10.435 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.827 -1.446 10.473 1.00 0.00 H new ATOM 465 N VAL A 34 1.932 -3.862 8.826 1.00 0.00 N ATOM 466 CA VAL A 34 0.703 -3.330 9.390 1.00 0.00 C ATOM 467 C VAL A 34 0.455 -3.969 10.758 1.00 0.00 C ATOM 468 O VAL A 34 0.811 -5.125 10.980 1.00 0.00 O ATOM 469 CB VAL A 34 -0.455 -3.541 8.413 1.00 0.00 C ATOM 470 CG1 VAL A 34 -0.208 -4.761 7.524 1.00 0.00 C ATOM 471 CG2 VAL A 34 -1.786 -3.666 9.159 1.00 0.00 C ATOM 0 H VAL A 34 1.968 -4.880 8.765 1.00 0.00 H new ATOM 0 HA VAL A 34 0.789 -2.254 9.545 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.513 -2.664 7.768 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.046 -4.888 6.839 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.709 -4.615 6.952 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.110 -5.651 8.146 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.593 -3.815 8.441 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.743 -4.517 9.839 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.971 -2.755 9.728 1.00 0.00 H new ATOM 481 N ARG A 35 -0.152 -3.188 11.639 1.00 0.00 N ATOM 482 CA ARG A 35 -0.451 -3.664 12.979 1.00 0.00 C ATOM 483 C ARG A 35 -1.843 -4.297 13.018 1.00 0.00 C ATOM 484 O ARG A 35 -2.569 -4.273 12.026 1.00 0.00 O ATOM 485 CB ARG A 35 -0.388 -2.523 13.996 1.00 0.00 C ATOM 486 CG ARG A 35 1.020 -2.382 14.576 1.00 0.00 C ATOM 487 CD ARG A 35 0.989 -1.651 15.920 1.00 0.00 C ATOM 488 NE ARG A 35 0.987 -0.188 15.700 1.00 0.00 N ATOM 489 CZ ARG A 35 1.395 0.709 16.609 1.00 0.00 C ATOM 490 NH1 ARG A 35 1.841 0.297 17.803 1.00 0.00 N ATOM 491 NH2 ARG A 35 1.358 2.017 16.323 1.00 0.00 N ATOM 0 H ARG A 35 -0.445 -2.229 11.451 1.00 0.00 H new ATOM 0 HA ARG A 35 0.299 -4.410 13.241 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.683 -1.589 13.518 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.100 -2.709 14.801 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.465 -3.369 14.705 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.653 -1.836 13.876 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.102 -1.944 16.482 1.00 0.00 H new ATOM 0 HD3 ARG A 35 1.854 -1.936 16.518 1.00 0.00 H new ATOM 0 HE ARG A 35 0.654 0.160 14.801 1.00 0.00 H new ATOM 0 HH11 ARG A 35 1.870 -0.699 18.021 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.151 0.979 18.495 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.019 2.331 15.413 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.668 2.699 17.015 1.00 0.00 H new ATOM 502 N TRP A 36 -2.174 -4.850 14.177 1.00 0.00 N ATOM 503 CA TRP A 36 -3.467 -5.489 14.359 1.00 0.00 C ATOM 504 C TRP A 36 -3.717 -5.629 15.862 1.00 0.00 C ATOM 505 O TRP A 36 -2.794 -5.496 16.664 1.00 0.00 O ATOM 506 CB TRP A 36 -3.528 -6.825 13.616 1.00 0.00 C ATOM 507 CG TRP A 36 -2.729 -6.848 12.311 1.00 0.00 C ATOM 508 CD1 TRP A 36 -1.417 -7.060 12.151 1.00 0.00 C ATOM 509 CD2 TRP A 36 -3.251 -6.641 10.981 1.00 0.00 C ATOM 510 NE1 TRP A 36 -1.054 -7.005 10.820 1.00 0.00 N ATOM 511 CE2 TRP A 36 -2.205 -6.744 10.086 1.00 0.00 C ATOM 512 CE3 TRP A 36 -4.562 -6.378 10.548 1.00 0.00 C ATOM 513 CZ2 TRP A 36 -2.362 -6.595 8.703 1.00 0.00 C ATOM 514 CZ3 TRP A 36 -4.703 -6.233 9.162 1.00 0.00 C ATOM 515 CH2 TRP A 36 -3.660 -6.332 8.249 1.00 0.00 C ATOM 0 H TRP A 36 -1.569 -4.869 14.998 1.00 0.00 H new ATOM 0 HA TRP A 36 -4.262 -4.880 13.929 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.155 -7.611 14.272 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.570 -7.060 13.397 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -0.729 -7.250 12.961 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -0.114 -7.132 10.445 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -5.395 -6.294 11.230 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.527 -6.678 8.023 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -5.691 -6.030 8.776 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.850 -6.207 7.193 1.00 0.00 H new ATOM 525 N LYS A 37 -4.971 -5.893 16.199 1.00 0.00 N ATOM 526 CA LYS A 37 -5.354 -6.053 17.591 1.00 0.00 C ATOM 527 C LYS A 37 -4.919 -7.436 18.080 1.00 0.00 C ATOM 528 O LYS A 37 -4.954 -8.405 17.324 1.00 0.00 O ATOM 529 CB LYS A 37 -6.849 -5.780 17.769 1.00 0.00 C ATOM 530 CG LYS A 37 -7.086 -4.709 18.837 1.00 0.00 C ATOM 531 CD LYS A 37 -8.210 -5.124 19.790 1.00 0.00 C ATOM 532 CE LYS A 37 -7.916 -4.660 21.217 1.00 0.00 C ATOM 533 NZ LYS A 37 -8.588 -5.542 22.198 1.00 0.00 N ATOM 0 H LYS A 37 -5.735 -6.000 15.532 1.00 0.00 H new ATOM 0 HA LYS A 37 -4.842 -5.319 18.214 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.279 -5.455 16.821 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.360 -6.701 18.052 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.168 -4.544 19.401 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.341 -3.763 18.359 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.154 -4.697 19.452 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.325 -6.208 19.772 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.840 -4.664 21.393 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.257 -3.633 21.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.378 -5.213 23.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.616 -5.517 22.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.243 -6.516 22.082 1.00 0.00 H new ATOM 543 N GLY A 38 -4.520 -7.483 19.343 1.00 0.00 N ATOM 544 CA GLY A 38 -4.079 -8.731 19.942 1.00 0.00 C ATOM 545 C GLY A 38 -2.565 -8.904 19.797 1.00 0.00 C ATOM 546 O GLY A 38 -1.902 -9.392 20.711 1.00 0.00 O ATOM 0 H GLY A 38 -4.493 -6.677 19.968 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.351 -8.748 20.997 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.591 -9.568 19.467 1.00 0.00 H new ATOM 550 N TYR A 39 -2.063 -8.494 18.641 1.00 0.00 N ATOM 551 CA TYR A 39 -0.641 -8.598 18.365 1.00 0.00 C ATOM 552 C TYR A 39 0.101 -7.344 18.832 1.00 0.00 C ATOM 553 O TYR A 39 -0.107 -6.258 18.293 1.00 0.00 O ATOM 554 CB TYR A 39 -0.514 -8.715 16.845 1.00 0.00 C ATOM 555 CG TYR A 39 -1.016 -10.044 16.279 1.00 0.00 C ATOM 556 CD1 TYR A 39 -0.763 -11.222 16.954 1.00 0.00 C ATOM 557 CD2 TYR A 39 -1.721 -10.068 15.092 1.00 0.00 C ATOM 558 CE1 TYR A 39 -1.235 -12.473 16.422 1.00 0.00 C ATOM 559 CE2 TYR A 39 -2.193 -11.320 14.559 1.00 0.00 C ATOM 560 CZ TYR A 39 -1.926 -12.460 15.251 1.00 0.00 C ATOM 561 OH TYR A 39 -2.373 -13.642 14.748 1.00 0.00 O ATOM 0 H TYR A 39 -2.616 -8.089 17.885 1.00 0.00 H new ATOM 0 HA TYR A 39 -0.210 -9.452 18.887 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.070 -7.901 16.381 1.00 0.00 H new ATOM 0 HB3 TYR A 39 0.532 -8.586 16.567 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -0.211 -11.204 17.882 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.919 -9.147 14.563 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -1.045 -13.401 16.941 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -2.746 -11.353 13.632 1.00 0.00 H new ATOM 0 HH TYR A 39 -2.851 -13.480 13.908 1.00 0.00 H new ATOM 570 N ASP A 40 0.953 -7.536 19.829 1.00 0.00 N ATOM 571 CA ASP A 40 1.726 -6.434 20.375 1.00 0.00 C ATOM 572 C ASP A 40 2.429 -5.696 19.234 1.00 0.00 C ATOM 573 O ASP A 40 2.307 -6.082 18.072 1.00 0.00 O ATOM 574 CB ASP A 40 2.798 -6.939 21.342 1.00 0.00 C ATOM 575 CG ASP A 40 2.271 -7.762 22.519 1.00 0.00 C ATOM 576 OD1 ASP A 40 1.065 -7.622 22.815 1.00 0.00 O ATOM 577 OD2 ASP A 40 3.087 -8.512 23.098 1.00 0.00 O ATOM 0 H ASP A 40 1.125 -8.438 20.272 1.00 0.00 H new ATOM 0 HA ASP A 40 1.042 -5.774 20.908 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.512 -7.546 20.785 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.345 -6.082 21.734 1.00 0.00 H new ATOM 581 N SER A 41 3.149 -4.647 19.604 1.00 0.00 N ATOM 582 CA SER A 41 3.871 -3.852 18.626 1.00 0.00 C ATOM 583 C SER A 41 5.007 -4.675 18.017 1.00 0.00 C ATOM 584 O SER A 41 5.330 -4.520 16.841 1.00 0.00 O ATOM 585 CB SER A 41 4.423 -2.571 19.257 1.00 0.00 C ATOM 586 OG SER A 41 4.729 -1.582 18.278 1.00 0.00 O ATOM 0 H SER A 41 3.248 -4.329 20.568 1.00 0.00 H new ATOM 0 HA SER A 41 3.175 -3.566 17.837 1.00 0.00 H new ATOM 0 HB2 SER A 41 3.694 -2.170 19.961 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.321 -2.806 19.828 1.00 0.00 H new ATOM 0 HG SER A 41 5.077 -0.780 18.721 1.00 0.00 H new ATOM 591 N GLU A 42 5.582 -5.535 18.846 1.00 0.00 N ATOM 592 CA GLU A 42 6.675 -6.384 18.403 1.00 0.00 C ATOM 593 C GLU A 42 6.131 -7.698 17.838 1.00 0.00 C ATOM 594 O GLU A 42 6.898 -8.607 17.525 1.00 0.00 O ATOM 595 CB GLU A 42 7.663 -6.644 19.543 1.00 0.00 C ATOM 596 CG GLU A 42 8.856 -5.691 19.462 1.00 0.00 C ATOM 597 CD GLU A 42 10.178 -6.461 19.495 1.00 0.00 C ATOM 598 OE1 GLU A 42 10.492 -7.092 18.463 1.00 0.00 O ATOM 599 OE2 GLU A 42 10.843 -6.402 20.552 1.00 0.00 O ATOM 0 H GLU A 42 5.311 -5.662 19.821 1.00 0.00 H new ATOM 0 HA GLU A 42 7.214 -5.866 17.610 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.159 -6.520 20.501 1.00 0.00 H new ATOM 0 HB3 GLU A 42 8.013 -7.675 19.498 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.796 -5.105 18.545 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.820 -4.987 20.293 1.00 0.00 H new ATOM 604 N ASP A 43 4.813 -7.756 17.726 1.00 0.00 N ATOM 605 CA ASP A 43 4.157 -8.943 17.204 1.00 0.00 C ATOM 606 C ASP A 43 3.625 -8.651 15.799 1.00 0.00 C ATOM 607 O ASP A 43 3.165 -9.557 15.106 1.00 0.00 O ATOM 608 CB ASP A 43 2.974 -9.351 18.084 1.00 0.00 C ATOM 609 CG ASP A 43 3.201 -10.601 18.936 1.00 0.00 C ATOM 610 OD1 ASP A 43 4.375 -10.834 19.299 1.00 0.00 O ATOM 611 OD2 ASP A 43 2.197 -11.295 19.205 1.00 0.00 O ATOM 0 H ASP A 43 4.181 -7.000 17.988 1.00 0.00 H new ATOM 0 HA ASP A 43 4.888 -9.752 17.186 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.728 -8.519 18.745 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.106 -9.518 17.446 1.00 0.00 H new ATOM 615 N ASP A 44 3.705 -7.383 15.423 1.00 0.00 N ATOM 616 CA ASP A 44 3.236 -6.961 14.114 1.00 0.00 C ATOM 617 C ASP A 44 3.626 -8.013 13.074 1.00 0.00 C ATOM 618 O ASP A 44 4.565 -8.779 13.282 1.00 0.00 O ATOM 619 CB ASP A 44 3.874 -5.632 13.704 1.00 0.00 C ATOM 620 CG ASP A 44 3.786 -4.522 14.753 1.00 0.00 C ATOM 621 OD1 ASP A 44 2.997 -4.702 15.706 1.00 0.00 O ATOM 622 OD2 ASP A 44 4.509 -3.516 14.578 1.00 0.00 O ATOM 0 H ASP A 44 4.087 -6.635 16.001 1.00 0.00 H new ATOM 0 HA ASP A 44 2.154 -6.842 14.165 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.924 -5.807 13.470 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.397 -5.284 12.788 1.00 0.00 H new ATOM 626 N THR A 45 2.884 -8.016 11.976 1.00 0.00 N ATOM 627 CA THR A 45 3.140 -8.961 10.902 1.00 0.00 C ATOM 628 C THR A 45 3.410 -8.219 9.591 1.00 0.00 C ATOM 629 O THR A 45 3.082 -7.041 9.463 1.00 0.00 O ATOM 630 CB THR A 45 1.950 -9.921 10.824 1.00 0.00 C ATOM 631 OG1 THR A 45 0.830 -9.067 10.614 1.00 0.00 O ATOM 632 CG2 THR A 45 1.657 -10.600 12.163 1.00 0.00 C ATOM 0 H THR A 45 2.105 -7.379 11.807 1.00 0.00 H new ATOM 0 HA THR A 45 4.038 -9.548 11.097 1.00 0.00 H new ATOM 0 HB THR A 45 2.145 -10.681 10.068 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.558 -9.109 9.673 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.804 -11.270 12.052 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.529 -11.172 12.479 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.428 -9.843 12.913 1.00 0.00 H new ATOM 640 N TRP A 46 4.005 -8.941 8.653 1.00 0.00 N ATOM 641 CA TRP A 46 4.322 -8.366 7.356 1.00 0.00 C ATOM 642 C TRP A 46 3.349 -8.948 6.330 1.00 0.00 C ATOM 643 O TRP A 46 3.522 -10.078 5.876 1.00 0.00 O ATOM 644 CB TRP A 46 5.788 -8.608 6.995 1.00 0.00 C ATOM 645 CG TRP A 46 6.769 -7.682 7.719 1.00 0.00 C ATOM 646 CD1 TRP A 46 7.317 -7.846 8.930 1.00 0.00 C ATOM 647 CD2 TRP A 46 7.301 -6.435 7.223 1.00 0.00 C ATOM 648 NE1 TRP A 46 8.158 -6.801 9.251 1.00 0.00 N ATOM 649 CE2 TRP A 46 8.147 -5.915 8.180 1.00 0.00 C ATOM 650 CE3 TRP A 46 7.072 -5.769 6.006 1.00 0.00 C ATOM 651 CZ2 TRP A 46 8.834 -4.706 8.020 1.00 0.00 C ATOM 652 CZ3 TRP A 46 7.766 -4.561 5.862 1.00 0.00 C ATOM 653 CH2 TRP A 46 8.622 -4.024 6.816 1.00 0.00 C ATOM 0 H TRP A 46 4.276 -9.918 8.765 1.00 0.00 H new ATOM 0 HA TRP A 46 4.201 -7.283 7.373 1.00 0.00 H new ATOM 0 HB2 TRP A 46 6.042 -9.642 7.227 1.00 0.00 H new ATOM 0 HB3 TRP A 46 5.912 -8.482 5.919 1.00 0.00 H new ATOM 0 HD1 TRP A 46 7.124 -8.691 9.575 1.00 0.00 H new ATOM 0 HE1 TRP A 46 8.690 -6.697 10.115 1.00 0.00 H new ATOM 0 HE3 TRP A 46 6.414 -6.158 5.243 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 9.492 -4.320 8.784 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 7.626 -4.008 4.945 1.00 0.00 H new ATOM 0 HH2 TRP A 46 9.121 -3.085 6.629 1.00 0.00 H new ATOM 663 N GLU A 47 2.346 -8.149 5.993 1.00 0.00 N ATOM 664 CA GLU A 47 1.346 -8.572 5.027 1.00 0.00 C ATOM 665 C GLU A 47 1.717 -8.080 3.627 1.00 0.00 C ATOM 666 O GLU A 47 2.342 -7.031 3.480 1.00 0.00 O ATOM 667 CB GLU A 47 -0.046 -8.080 5.430 1.00 0.00 C ATOM 668 CG GLU A 47 -0.378 -8.489 6.867 1.00 0.00 C ATOM 669 CD GLU A 47 0.120 -9.904 7.163 1.00 0.00 C ATOM 670 OE1 GLU A 47 -0.466 -10.845 6.584 1.00 0.00 O ATOM 671 OE2 GLU A 47 1.076 -10.014 7.962 1.00 0.00 O ATOM 0 H GLU A 47 2.205 -7.212 6.371 1.00 0.00 H new ATOM 0 HA GLU A 47 1.321 -9.662 5.012 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.093 -6.995 5.337 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.792 -8.491 4.750 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.078 -7.786 7.564 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.456 -8.439 7.023 1.00 0.00 H new ATOM 676 N PRO A 48 1.307 -8.882 2.609 1.00 0.00 N ATOM 677 CA PRO A 48 1.591 -8.538 1.225 1.00 0.00 C ATOM 678 C PRO A 48 0.683 -7.404 0.745 1.00 0.00 C ATOM 679 O PRO A 48 -0.372 -7.159 1.329 1.00 0.00 O ATOM 680 CB PRO A 48 1.389 -9.830 0.450 1.00 0.00 C ATOM 681 CG PRO A 48 0.554 -10.729 1.349 1.00 0.00 C ATOM 682 CD PRO A 48 0.565 -10.131 2.747 1.00 0.00 C ATOM 0 HA PRO A 48 2.603 -8.159 1.084 1.00 0.00 H new ATOM 0 HB2 PRO A 48 0.881 -9.643 -0.496 1.00 0.00 H new ATOM 0 HB3 PRO A 48 2.345 -10.296 0.211 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -0.467 -10.802 0.973 1.00 0.00 H new ATOM 0 HG3 PRO A 48 0.962 -11.740 1.363 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.447 -9.952 3.109 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.045 -10.800 3.460 1.00 0.00 H new ATOM 687 N GLU A 49 1.125 -6.745 -0.315 1.00 0.00 N ATOM 688 CA GLU A 49 0.366 -5.642 -0.880 1.00 0.00 C ATOM 689 C GLU A 49 -0.861 -6.171 -1.626 1.00 0.00 C ATOM 690 O GLU A 49 -1.871 -5.477 -1.738 1.00 0.00 O ATOM 691 CB GLU A 49 1.241 -4.789 -1.801 1.00 0.00 C ATOM 692 CG GLU A 49 0.385 -3.981 -2.778 1.00 0.00 C ATOM 693 CD GLU A 49 1.050 -2.646 -3.115 1.00 0.00 C ATOM 694 OE1 GLU A 49 2.289 -2.654 -3.281 1.00 0.00 O ATOM 695 OE2 GLU A 49 0.305 -1.646 -3.200 1.00 0.00 O ATOM 0 H GLU A 49 1.999 -6.953 -0.798 1.00 0.00 H new ATOM 0 HA GLU A 49 0.026 -5.005 -0.064 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.853 -4.113 -1.204 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.925 -5.431 -2.356 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.230 -4.555 -3.692 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.598 -3.802 -2.343 1.00 0.00 H new ATOM 700 N GLN A 50 -0.734 -7.395 -2.118 1.00 0.00 N ATOM 701 CA GLN A 50 -1.821 -8.024 -2.848 1.00 0.00 C ATOM 702 C GLN A 50 -2.943 -8.426 -1.890 1.00 0.00 C ATOM 703 O GLN A 50 -4.098 -8.543 -2.296 1.00 0.00 O ATOM 704 CB GLN A 50 -1.319 -9.232 -3.642 1.00 0.00 C ATOM 705 CG GLN A 50 -2.483 -9.986 -4.288 1.00 0.00 C ATOM 706 CD GLN A 50 -2.075 -10.571 -5.641 1.00 0.00 C ATOM 707 OE1 GLN A 50 -1.237 -10.038 -6.350 1.00 0.00 O ATOM 708 NE2 GLN A 50 -2.713 -11.694 -5.960 1.00 0.00 N ATOM 0 H GLN A 50 0.105 -7.967 -2.025 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.221 -7.302 -3.560 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.623 -8.901 -4.413 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.769 -9.902 -2.982 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.814 -10.787 -3.627 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.329 -9.312 -4.420 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -3.404 -12.087 -5.321 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -2.511 -12.162 -6.844 1.00 0.00 H new ATOM 715 N HIS A 51 -2.564 -8.625 -0.636 1.00 0.00 N ATOM 716 CA HIS A 51 -3.525 -9.012 0.383 1.00 0.00 C ATOM 717 C HIS A 51 -4.187 -7.761 0.964 1.00 0.00 C ATOM 718 O HIS A 51 -5.331 -7.812 1.415 1.00 0.00 O ATOM 719 CB HIS A 51 -2.862 -9.883 1.453 1.00 0.00 C ATOM 720 CG HIS A 51 -2.797 -11.349 1.097 1.00 0.00 C ATOM 721 ND1 HIS A 51 -2.705 -12.348 2.051 1.00 0.00 N ATOM 722 CD2 HIS A 51 -2.814 -11.973 -0.115 1.00 0.00 C ATOM 723 CE1 HIS A 51 -2.667 -13.517 1.429 1.00 0.00 C ATOM 724 NE2 HIS A 51 -2.733 -13.283 0.087 1.00 0.00 N ATOM 0 H HIS A 51 -1.605 -8.526 -0.303 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.309 -9.622 -0.064 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -1.850 -9.517 1.629 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -3.409 -9.771 2.389 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -2.882 -11.485 -1.076 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -2.596 -14.485 1.902 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -2.722 -13.997 -0.642 1.00 0.00 H new ATOM 731 N LEU A 52 -3.440 -6.667 0.935 1.00 0.00 N ATOM 732 CA LEU A 52 -3.941 -5.405 1.453 1.00 0.00 C ATOM 733 C LEU A 52 -4.880 -4.773 0.424 1.00 0.00 C ATOM 734 O LEU A 52 -4.598 -3.697 -0.101 1.00 0.00 O ATOM 735 CB LEU A 52 -2.781 -4.496 1.865 1.00 0.00 C ATOM 736 CG LEU A 52 -2.019 -4.912 3.125 1.00 0.00 C ATOM 737 CD1 LEU A 52 -0.653 -4.224 3.193 1.00 0.00 C ATOM 738 CD2 LEU A 52 -2.854 -4.654 4.381 1.00 0.00 C ATOM 0 H LEU A 52 -2.492 -6.628 0.561 1.00 0.00 H new ATOM 0 HA LEU A 52 -4.524 -5.570 2.359 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.074 -4.444 1.037 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.170 -3.489 2.015 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.836 -5.985 3.075 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.133 -4.537 4.098 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.062 -4.501 2.320 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.791 -3.143 3.209 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.289 -4.958 5.262 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.089 -3.592 4.450 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.779 -5.228 4.327 1.00 0.00 H new ATOM 749 N VAL A 53 -5.978 -5.469 0.166 1.00 0.00 N ATOM 750 CA VAL A 53 -6.961 -4.989 -0.790 1.00 0.00 C ATOM 751 C VAL A 53 -7.973 -4.094 -0.071 1.00 0.00 C ATOM 752 O VAL A 53 -8.365 -4.380 1.060 1.00 0.00 O ATOM 753 CB VAL A 53 -7.614 -6.172 -1.508 1.00 0.00 C ATOM 754 CG1 VAL A 53 -8.832 -5.720 -2.315 1.00 0.00 C ATOM 755 CG2 VAL A 53 -6.603 -6.897 -2.399 1.00 0.00 C ATOM 0 H VAL A 53 -6.208 -6.362 0.603 1.00 0.00 H new ATOM 0 HA VAL A 53 -6.481 -4.384 -1.559 1.00 0.00 H new ATOM 0 HB VAL A 53 -7.958 -6.876 -0.750 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.277 -6.580 -2.815 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -9.565 -5.270 -1.646 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -8.523 -4.987 -3.060 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.092 -7.734 -2.898 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.215 -6.205 -3.147 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.781 -7.269 -1.788 1.00 0.00 H new ATOM 765 N ASN A 54 -8.367 -3.032 -0.755 1.00 0.00 N ATOM 766 CA ASN A 54 -9.326 -2.094 -0.196 1.00 0.00 C ATOM 767 C ASN A 54 -8.715 -1.419 1.034 1.00 0.00 C ATOM 768 O ASN A 54 -9.420 -0.772 1.806 1.00 0.00 O ATOM 769 CB ASN A 54 -10.604 -2.811 0.245 1.00 0.00 C ATOM 770 CG ASN A 54 -11.800 -2.368 -0.600 1.00 0.00 C ATOM 771 OD1 ASN A 54 -12.556 -1.482 -0.237 1.00 0.00 O ATOM 772 ND2 ASN A 54 -11.929 -3.031 -1.745 1.00 0.00 N ATOM 0 H ASN A 54 -8.040 -2.799 -1.693 1.00 0.00 H new ATOM 0 HA ASN A 54 -9.570 -1.362 -0.966 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -10.470 -3.889 0.155 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -10.799 -2.601 1.297 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -12.696 -2.809 -2.380 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -11.261 -3.762 -1.989 1.00 0.00 H new ATOM 778 N CYS A 55 -7.409 -1.593 1.176 1.00 0.00 N ATOM 779 CA CYS A 55 -6.694 -1.009 2.298 1.00 0.00 C ATOM 780 C CYS A 55 -5.566 -0.135 1.747 1.00 0.00 C ATOM 781 O CYS A 55 -4.724 0.347 2.503 1.00 0.00 O ATOM 782 CB CYS A 55 -6.170 -2.081 3.255 1.00 0.00 C ATOM 783 SG CYS A 55 -7.564 -2.853 4.155 1.00 0.00 S ATOM 0 H CYS A 55 -6.828 -2.130 0.533 1.00 0.00 H new ATOM 0 HA CYS A 55 -7.375 -0.393 2.885 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -5.621 -2.840 2.698 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -5.470 -1.637 3.963 1.00 0.00 H new ATOM 0 HG CYS A 55 -7.108 -3.763 4.963 1.00 0.00 H new ATOM 788 N GLU A 56 -5.586 0.042 0.434 1.00 0.00 N ATOM 789 CA GLU A 56 -4.575 0.850 -0.227 1.00 0.00 C ATOM 790 C GLU A 56 -4.513 2.243 0.403 1.00 0.00 C ATOM 791 O GLU A 56 -3.464 2.885 0.395 1.00 0.00 O ATOM 792 CB GLU A 56 -4.842 0.939 -1.731 1.00 0.00 C ATOM 793 CG GLU A 56 -3.941 -0.025 -2.505 1.00 0.00 C ATOM 794 CD GLU A 56 -4.745 -0.813 -3.542 1.00 0.00 C ATOM 795 OE1 GLU A 56 -5.530 -0.162 -4.266 1.00 0.00 O ATOM 796 OE2 GLU A 56 -4.558 -2.048 -3.587 1.00 0.00 O ATOM 0 H GLU A 56 -6.286 -0.360 -0.190 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.607 0.368 -0.091 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.888 0.707 -1.933 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.670 1.959 -2.075 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.147 0.533 -3.002 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.460 -0.715 -1.812 1.00 0.00 H new ATOM 801 N GLU A 57 -5.650 2.670 0.932 1.00 0.00 N ATOM 802 CA GLU A 57 -5.739 3.975 1.564 1.00 0.00 C ATOM 803 C GLU A 57 -4.527 4.209 2.471 1.00 0.00 C ATOM 804 O GLU A 57 -3.693 5.067 2.189 1.00 0.00 O ATOM 805 CB GLU A 57 -7.045 4.117 2.347 1.00 0.00 C ATOM 806 CG GLU A 57 -7.336 5.586 2.665 1.00 0.00 C ATOM 807 CD GLU A 57 -8.505 5.714 3.643 1.00 0.00 C ATOM 808 OE1 GLU A 57 -9.657 5.655 3.161 1.00 0.00 O ATOM 809 OE2 GLU A 57 -8.221 5.867 4.851 1.00 0.00 O ATOM 0 H GLU A 57 -6.518 2.135 0.936 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.737 4.736 0.784 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.868 3.696 1.769 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.982 3.546 3.273 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.448 6.052 3.091 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.567 6.122 1.745 1.00 0.00 H new ATOM 814 N TYR A 58 -4.471 3.429 3.541 1.00 0.00 N ATOM 815 CA TYR A 58 -3.377 3.541 4.491 1.00 0.00 C ATOM 816 C TYR A 58 -2.026 3.530 3.773 1.00 0.00 C ATOM 817 O TYR A 58 -1.207 4.426 3.972 1.00 0.00 O ATOM 818 CB TYR A 58 -3.473 2.307 5.391 1.00 0.00 C ATOM 819 CG TYR A 58 -4.860 2.087 5.999 1.00 0.00 C ATOM 820 CD1 TYR A 58 -5.371 3.000 6.901 1.00 0.00 C ATOM 821 CD2 TYR A 58 -5.600 0.977 5.647 1.00 0.00 C ATOM 822 CE1 TYR A 58 -6.676 2.793 7.473 1.00 0.00 C ATOM 823 CE2 TYR A 58 -6.905 0.770 6.219 1.00 0.00 C ATOM 824 CZ TYR A 58 -7.378 1.687 7.104 1.00 0.00 C ATOM 825 OH TYR A 58 -8.611 1.492 7.644 1.00 0.00 O ATOM 0 H TYR A 58 -5.165 2.718 3.771 1.00 0.00 H new ATOM 0 HA TYR A 58 -3.448 4.473 5.051 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -3.197 1.425 4.812 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -2.745 2.400 6.197 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -4.792 3.869 7.177 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -5.200 0.263 4.942 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -7.088 3.499 8.179 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -7.495 -0.094 5.951 1.00 0.00 H new ATOM 0 HH TYR A 58 -8.996 0.664 7.289 1.00 0.00 H new ATOM 834 N ILE A 59 -1.834 2.506 2.955 1.00 0.00 N ATOM 835 CA ILE A 59 -0.596 2.366 2.208 1.00 0.00 C ATOM 836 C ILE A 59 -0.259 3.698 1.534 1.00 0.00 C ATOM 837 O ILE A 59 0.883 4.152 1.586 1.00 0.00 O ATOM 838 CB ILE A 59 -0.688 1.190 1.233 1.00 0.00 C ATOM 839 CG1 ILE A 59 -0.889 -0.129 1.983 1.00 0.00 C ATOM 840 CG2 ILE A 59 0.532 1.147 0.311 1.00 0.00 C ATOM 841 CD1 ILE A 59 -1.678 -1.127 1.134 1.00 0.00 C ATOM 0 H ILE A 59 -2.516 1.765 2.793 1.00 0.00 H new ATOM 0 HA ILE A 59 0.229 2.130 2.880 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.564 1.336 0.601 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.080 -0.554 2.244 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -1.418 0.057 2.918 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.442 0.302 -0.372 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.588 2.073 -0.262 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.436 1.035 0.909 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.807 -2.056 1.690 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.656 -0.708 0.895 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.134 -1.329 0.211 1.00 0.00 H new ATOM 852 N HIS A 60 -1.274 4.286 0.918 1.00 0.00 N ATOM 853 CA HIS A 60 -1.100 5.557 0.236 1.00 0.00 C ATOM 854 C HIS A 60 -0.621 6.614 1.232 1.00 0.00 C ATOM 855 O HIS A 60 0.308 7.368 0.945 1.00 0.00 O ATOM 856 CB HIS A 60 -2.385 5.965 -0.489 1.00 0.00 C ATOM 857 CG HIS A 60 -2.473 5.465 -1.911 1.00 0.00 C ATOM 858 ND1 HIS A 60 -2.071 6.221 -2.998 1.00 0.00 N ATOM 859 CD2 HIS A 60 -2.920 4.278 -2.413 1.00 0.00 C ATOM 860 CE1 HIS A 60 -2.272 5.512 -4.099 1.00 0.00 C ATOM 861 NE2 HIS A 60 -2.800 4.308 -3.734 1.00 0.00 N ATOM 0 H HIS A 60 -2.220 3.906 0.877 1.00 0.00 H new ATOM 0 HA HIS A 60 -0.333 5.459 -0.532 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -3.241 5.589 0.071 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -2.459 7.052 -0.492 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -3.306 3.453 -1.833 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -2.056 5.831 -5.108 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -3.060 3.555 -4.371 1.00 0.00 H new ATOM 868 N ASP A 61 -1.275 6.635 2.384 1.00 0.00 N ATOM 869 CA ASP A 61 -0.927 7.587 3.426 1.00 0.00 C ATOM 870 C ASP A 61 0.503 7.319 3.898 1.00 0.00 C ATOM 871 O ASP A 61 1.242 8.251 4.214 1.00 0.00 O ATOM 872 CB ASP A 61 -1.858 7.448 4.632 1.00 0.00 C ATOM 873 CG ASP A 61 -1.958 8.692 5.517 1.00 0.00 C ATOM 874 OD1 ASP A 61 -1.022 9.516 5.446 1.00 0.00 O ATOM 875 OD2 ASP A 61 -2.970 8.790 6.245 1.00 0.00 O ATOM 0 H ASP A 61 -2.044 6.008 2.619 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.022 8.591 3.012 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.856 7.193 4.275 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.515 6.613 5.242 1.00 0.00 H new ATOM 879 N PHE A 62 0.851 6.041 3.932 1.00 0.00 N ATOM 880 CA PHE A 62 2.181 5.638 4.361 1.00 0.00 C ATOM 881 C PHE A 62 3.228 5.991 3.303 1.00 0.00 C ATOM 882 O PHE A 62 4.398 6.189 3.626 1.00 0.00 O ATOM 883 CB PHE A 62 2.150 4.119 4.544 1.00 0.00 C ATOM 884 CG PHE A 62 3.520 3.499 4.825 1.00 0.00 C ATOM 885 CD1 PHE A 62 3.974 3.401 6.103 1.00 0.00 C ATOM 886 CD2 PHE A 62 4.285 3.046 3.795 1.00 0.00 C ATOM 887 CE1 PHE A 62 5.245 2.825 6.363 1.00 0.00 C ATOM 888 CE2 PHE A 62 5.556 2.470 4.056 1.00 0.00 C ATOM 889 CZ PHE A 62 6.009 2.372 5.334 1.00 0.00 C ATOM 0 H PHE A 62 0.236 5.271 3.670 1.00 0.00 H new ATOM 0 HA PHE A 62 2.447 6.154 5.284 1.00 0.00 H new ATOM 0 HB2 PHE A 62 1.477 3.876 5.366 1.00 0.00 H new ATOM 0 HB3 PHE A 62 1.734 3.663 3.646 1.00 0.00 H new ATOM 0 HD1 PHE A 62 3.367 3.762 6.921 1.00 0.00 H new ATOM 0 HD2 PHE A 62 3.926 3.125 2.780 1.00 0.00 H new ATOM 0 HE1 PHE A 62 5.605 2.747 7.378 1.00 0.00 H new ATOM 0 HE2 PHE A 62 6.163 2.110 3.239 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.976 1.934 5.532 1.00 0.00 H new ATOM 898 N ASN A 63 2.770 6.058 2.062 1.00 0.00 N ATOM 899 CA ASN A 63 3.654 6.384 0.954 1.00 0.00 C ATOM 900 C ASN A 63 3.697 7.903 0.773 1.00 0.00 C ATOM 901 O ASN A 63 4.712 8.452 0.347 1.00 0.00 O ATOM 902 CB ASN A 63 3.152 5.765 -0.351 1.00 0.00 C ATOM 903 CG ASN A 63 3.915 4.480 -0.677 1.00 0.00 C ATOM 904 OD1 ASN A 63 5.112 4.480 -0.909 1.00 0.00 O ATOM 905 ND2 ASN A 63 3.156 3.388 -0.681 1.00 0.00 N ATOM 0 H ASN A 63 1.799 5.892 1.798 1.00 0.00 H new ATOM 0 HA ASN A 63 4.643 5.988 1.183 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.087 5.549 -0.269 1.00 0.00 H new ATOM 0 HB3 ASN A 63 3.271 6.479 -1.166 1.00 0.00 H new ATOM 0 HD21 ASN A 63 3.571 2.479 -0.887 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.159 3.459 -0.478 1.00 0.00 H new ATOM 911 N ARG A 64 2.582 8.538 1.104 1.00 0.00 N ATOM 912 CA ARG A 64 2.480 9.983 0.981 1.00 0.00 C ATOM 913 C ARG A 64 3.040 10.662 2.232 1.00 0.00 C ATOM 914 O ARG A 64 3.505 11.799 2.171 1.00 0.00 O ATOM 915 CB ARG A 64 1.028 10.417 0.780 1.00 0.00 C ATOM 916 CG ARG A 64 0.308 10.565 2.122 1.00 0.00 C ATOM 917 CD ARG A 64 0.402 12.002 2.639 1.00 0.00 C ATOM 918 NE ARG A 64 -0.903 12.681 2.481 1.00 0.00 N ATOM 919 CZ ARG A 64 -1.246 13.806 3.124 1.00 0.00 C ATOM 920 NH1 ARG A 64 -0.384 14.384 3.971 1.00 0.00 N ATOM 921 NH2 ARG A 64 -2.452 14.353 2.920 1.00 0.00 N ATOM 0 H ARG A 64 1.742 8.079 1.457 1.00 0.00 H new ATOM 0 HA ARG A 64 3.061 10.284 0.109 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.999 11.364 0.242 1.00 0.00 H new ATOM 0 HB3 ARG A 64 0.508 9.684 0.163 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -0.739 10.283 2.010 1.00 0.00 H new ATOM 0 HG3 ARG A 64 0.746 9.883 2.851 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.697 12.001 3.688 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.173 12.545 2.092 1.00 0.00 H new ATOM 0 HE ARG A 64 -1.584 12.268 1.844 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.534 13.968 4.127 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.646 15.240 4.460 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -3.109 13.913 2.275 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -2.713 15.209 3.409 1.00 0.00 H new ATOM 932 N ARG A 65 2.976 9.937 3.339 1.00 0.00 N ATOM 933 CA ARG A 65 3.470 10.455 4.604 1.00 0.00 C ATOM 934 C ARG A 65 4.934 10.879 4.468 1.00 0.00 C ATOM 935 O ARG A 65 5.312 11.965 4.901 1.00 0.00 O ATOM 936 CB ARG A 65 3.350 9.408 5.713 1.00 0.00 C ATOM 937 CG ARG A 65 2.096 9.645 6.556 1.00 0.00 C ATOM 938 CD ARG A 65 2.238 10.907 7.409 1.00 0.00 C ATOM 939 NE ARG A 65 2.993 10.602 8.645 1.00 0.00 N ATOM 940 CZ ARG A 65 3.127 11.450 9.672 1.00 0.00 C ATOM 941 NH1 ARG A 65 2.560 12.662 9.619 1.00 0.00 N ATOM 942 NH2 ARG A 65 3.831 11.087 10.753 1.00 0.00 N ATOM 0 H ARG A 65 2.589 8.994 3.386 1.00 0.00 H new ATOM 0 HA ARG A 65 2.861 11.319 4.869 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.315 8.411 5.274 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.234 9.445 6.350 1.00 0.00 H new ATOM 0 HG2 ARG A 65 1.228 9.739 5.904 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.919 8.784 7.201 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.752 11.683 6.842 1.00 0.00 H new ATOM 0 HD3 ARG A 65 1.252 11.297 7.662 1.00 0.00 H new ATOM 0 HE ARG A 65 3.439 9.688 8.719 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.026 12.939 8.796 1.00 0.00 H new ATOM 0 HH12 ARG A 65 2.662 13.308 10.402 1.00 0.00 H new ATOM 0 HH21 ARG A 65 4.265 10.165 10.793 1.00 0.00 H new ATOM 0 HH22 ARG A 65 3.933 11.733 11.536 1.00 0.00 H new