USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 605 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 48 THR OG1 : rot -156:sc= 0.588 USER MOD Set 1.2: A 87 GLN : amide:sc= 0.524 K(o=1.1,f=-3.8!) USER MOD Set 2.1: A 41 LYS NZ :NH3+ -114:sc= 0.6 (180deg=0) USER MOD Set 2.2: A 53 ASN : amide:sc= 0 K(o=0.6,f=-0.38) USER MOD Set 3.1: A 37 MET CE :methyl -143:sc= 0 (180deg=-1.4) USER MOD Set 3.2: A 65 ASN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0.341 K(o=0.34,f=-0.55) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.5 K(o=-0.5,f=-3.8!) USER MOD Single : A 28 HIS : no HD1:sc= 0.997 K(o=1,f=-4!) USER MOD Single : A 32 LYS NZ :NH3+ 171:sc=-0.00457 (180deg=-0.114) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -110:sc= -0.243 USER MOD Single : A 36 SER OG : rot 180:sc= -1.49! USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -156:sc=-0.00783 (180deg=-0.276) USER MOD Single : A 43 SER OG : rot 84:sc= 1.25 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.237 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl -167:sc= -0.011 (180deg=-0.216) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD ----------------------------------------------------------------- ATOM 157 N TYR A 14 2.421 0.250 0.718 1.00 0.00 N ATOM 158 CA TYR A 14 1.468 -0.397 1.610 1.00 0.00 C ATOM 159 C TYR A 14 1.362 -1.869 1.369 1.00 0.00 C ATOM 160 O TYR A 14 1.723 -2.367 0.300 1.00 0.00 O ATOM 161 CB TYR A 14 0.097 0.262 1.577 1.00 0.00 C ATOM 162 CG TYR A 14 0.093 1.661 2.125 1.00 0.00 C ATOM 163 CD1 TYR A 14 0.249 2.759 1.299 1.00 0.00 C ATOM 164 CD2 TYR A 14 -0.059 1.876 3.487 1.00 0.00 C ATOM 165 CE1 TYR A 14 0.254 4.039 1.816 1.00 0.00 C ATOM 166 CE2 TYR A 14 -0.058 3.148 4.010 1.00 0.00 C ATOM 167 CZ TYR A 14 0.099 4.226 3.174 1.00 0.00 C ATOM 168 OH TYR A 14 0.109 5.496 3.698 1.00 0.00 O ATOM 0 HA TYR A 14 1.869 -0.262 2.614 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.264 0.282 0.549 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.604 -0.346 2.149 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.368 2.613 0.236 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.180 1.030 4.148 1.00 0.00 H new ATOM 0 HE1 TYR A 14 0.379 4.889 1.161 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.180 3.298 5.073 1.00 0.00 H new ATOM 0 HH TYR A 14 -0.013 5.450 4.669 1.00 0.00 H new ATOM 178 N ILE A 15 0.864 -2.565 2.366 1.00 0.00 N ATOM 179 CA ILE A 15 0.737 -3.993 2.308 1.00 0.00 C ATOM 180 C ILE A 15 -0.729 -4.367 2.376 1.00 0.00 C ATOM 181 O ILE A 15 -1.569 -3.571 2.799 1.00 0.00 O ATOM 182 CB ILE A 15 1.468 -4.670 3.493 1.00 0.00 C ATOM 183 CG1 ILE A 15 0.665 -4.512 4.783 1.00 0.00 C ATOM 184 CG2 ILE A 15 2.846 -4.081 3.656 1.00 0.00 C ATOM 185 CD1 ILE A 15 1.287 -5.194 5.980 1.00 0.00 C ATOM 0 H ILE A 15 0.537 -2.151 3.239 1.00 0.00 H new ATOM 0 HA ILE A 15 1.184 -4.334 1.374 1.00 0.00 H new ATOM 0 HB ILE A 15 1.564 -5.735 3.279 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.552 -3.450 5.001 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.336 -4.914 4.628 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.352 -4.564 4.492 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.420 -4.241 2.743 1.00 0.00 H new ATOM 0 HG23 ILE A 15 2.764 -3.012 3.851 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.658 -5.036 6.856 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.375 -6.263 5.785 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.277 -4.776 6.164 1.00 0.00 H new ATOM 197 N LYS A 16 -1.029 -5.544 1.958 1.00 0.00 N ATOM 198 CA LYS A 16 -2.375 -6.041 1.988 1.00 0.00 C ATOM 199 C LYS A 16 -2.574 -6.970 3.163 1.00 0.00 C ATOM 200 O LYS A 16 -1.650 -7.642 3.596 1.00 0.00 O ATOM 201 CB LYS A 16 -2.664 -6.772 0.704 1.00 0.00 C ATOM 202 CG LYS A 16 -2.730 -5.872 -0.511 1.00 0.00 C ATOM 203 CD LYS A 16 -2.717 -6.681 -1.800 1.00 0.00 C ATOM 204 CE LYS A 16 -3.902 -7.632 -1.901 1.00 0.00 C ATOM 205 NZ LYS A 16 -3.873 -8.404 -3.169 1.00 0.00 N ATOM 0 H LYS A 16 -0.348 -6.202 1.580 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.060 -5.200 2.095 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.893 -7.526 0.545 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.611 -7.302 0.804 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.635 -5.266 -0.469 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.885 -5.184 -0.503 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.726 -6.001 -2.652 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.790 -7.252 -1.858 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.892 -8.319 -1.055 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.831 -7.065 -1.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.694 -9.042 -3.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.908 -7.748 -3.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.997 -8.963 -3.215 1.00 0.00 H new ATOM 219 N ILE A 17 -3.749 -6.964 3.691 1.00 0.00 N ATOM 220 CA ILE A 17 -4.112 -7.843 4.770 1.00 0.00 C ATOM 221 C ILE A 17 -5.368 -8.603 4.426 1.00 0.00 C ATOM 222 O ILE A 17 -6.384 -8.000 4.059 1.00 0.00 O ATOM 223 CB ILE A 17 -4.326 -7.057 6.082 1.00 0.00 C ATOM 224 CG1 ILE A 17 -3.027 -6.391 6.539 1.00 0.00 C ATOM 225 CG2 ILE A 17 -4.904 -7.939 7.166 1.00 0.00 C ATOM 226 CD1 ILE A 17 -1.905 -7.367 6.854 1.00 0.00 C ATOM 0 H ILE A 17 -4.500 -6.344 3.388 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.292 -8.546 4.917 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.052 -6.269 5.883 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.690 -5.706 5.761 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.232 -5.791 7.426 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -5.042 -7.354 8.076 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.866 -8.334 6.839 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -4.221 -8.765 7.366 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.020 -6.814 7.170 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -2.220 -8.037 7.654 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -1.669 -7.950 5.964 1.00 0.00 H new ATOM 238 N LYS A 18 -5.316 -9.917 4.523 1.00 0.00 N ATOM 239 CA LYS A 18 -6.498 -10.693 4.283 1.00 0.00 C ATOM 240 C LYS A 18 -7.138 -11.002 5.614 1.00 0.00 C ATOM 241 O LYS A 18 -6.660 -11.855 6.366 1.00 0.00 O ATOM 242 CB LYS A 18 -6.207 -12.012 3.558 1.00 0.00 C ATOM 243 CG LYS A 18 -5.096 -11.972 2.507 1.00 0.00 C ATOM 244 CD LYS A 18 -5.112 -13.245 1.669 1.00 0.00 C ATOM 245 CE LYS A 18 -4.893 -14.485 2.527 1.00 0.00 C ATOM 246 NZ LYS A 18 -4.940 -15.734 1.729 1.00 0.00 N ATOM 0 H LYS A 18 -4.482 -10.453 4.762 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.156 -10.108 3.640 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.947 -12.763 4.304 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -7.125 -12.347 3.075 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.227 -11.103 1.862 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.128 -11.863 2.996 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -6.066 -13.326 1.148 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.336 -13.188 0.906 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.928 -14.412 3.028 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.654 -14.525 3.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.786 -16.551 2.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.870 -15.819 1.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.197 -15.710 1.002 1.00 0.00 H new ATOM 260 N VAL A 19 -8.190 -10.300 5.907 1.00 0.00 N ATOM 261 CA VAL A 19 -8.926 -10.499 7.113 1.00 0.00 C ATOM 262 C VAL A 19 -9.886 -11.652 6.927 1.00 0.00 C ATOM 263 O VAL A 19 -10.785 -11.577 6.105 1.00 0.00 O ATOM 264 CB VAL A 19 -9.726 -9.225 7.453 1.00 0.00 C ATOM 265 CG1 VAL A 19 -10.595 -9.435 8.666 1.00 0.00 C ATOM 266 CG2 VAL A 19 -8.789 -8.043 7.656 1.00 0.00 C ATOM 0 H VAL A 19 -8.564 -9.565 5.307 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.233 -10.719 7.925 1.00 0.00 H new ATOM 0 HB VAL A 19 -10.381 -9.003 6.610 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -11.147 -8.520 8.881 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -11.298 -10.246 8.474 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -9.970 -9.691 9.521 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -9.372 -7.153 7.895 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -8.104 -8.259 8.476 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -8.220 -7.869 6.743 1.00 0.00 H new ATOM 276 N VAL A 20 -9.690 -12.713 7.679 1.00 0.00 N ATOM 277 CA VAL A 20 -10.556 -13.866 7.586 1.00 0.00 C ATOM 278 C VAL A 20 -11.413 -13.962 8.830 1.00 0.00 C ATOM 279 O VAL A 20 -10.902 -14.096 9.946 1.00 0.00 O ATOM 280 CB VAL A 20 -9.746 -15.174 7.407 1.00 0.00 C ATOM 281 CG1 VAL A 20 -10.674 -16.380 7.314 1.00 0.00 C ATOM 282 CG2 VAL A 20 -8.856 -15.087 6.175 1.00 0.00 C ATOM 0 H VAL A 20 -8.938 -12.800 8.362 1.00 0.00 H new ATOM 0 HA VAL A 20 -11.190 -13.741 6.708 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.111 -15.302 8.283 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.081 -17.286 7.189 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -11.265 -16.456 8.227 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -11.340 -16.261 6.460 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.295 -16.015 6.065 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.473 -14.930 5.291 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.162 -14.254 6.286 1.00 0.00 H new ATOM 292 N GLY A 21 -12.708 -13.881 8.639 1.00 0.00 N ATOM 293 CA GLY A 21 -13.614 -13.937 9.764 1.00 0.00 C ATOM 294 C GLY A 21 -14.111 -15.341 10.058 1.00 0.00 C ATOM 295 O GLY A 21 -13.772 -16.290 9.351 1.00 0.00 O ATOM 0 H GLY A 21 -13.155 -13.777 7.728 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.112 -13.543 10.648 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -14.468 -13.289 9.568 1.00 0.00 H new ATOM 299 N GLN A 22 -14.941 -15.458 11.085 1.00 0.00 N ATOM 300 CA GLN A 22 -15.484 -16.745 11.523 1.00 0.00 C ATOM 301 C GLN A 22 -16.517 -17.274 10.556 1.00 0.00 C ATOM 302 O GLN A 22 -16.816 -18.466 10.525 1.00 0.00 O ATOM 303 CB GLN A 22 -16.075 -16.621 12.914 1.00 0.00 C ATOM 304 CG GLN A 22 -15.042 -16.310 13.981 1.00 0.00 C ATOM 305 CD GLN A 22 -14.001 -17.405 14.115 1.00 0.00 C ATOM 306 OE1 GLN A 22 -14.302 -18.587 13.958 1.00 0.00 O ATOM 307 NE2 GLN A 22 -12.767 -17.017 14.372 1.00 0.00 N ATOM 0 H GLN A 22 -15.260 -14.665 11.641 1.00 0.00 H new ATOM 0 HA GLN A 22 -14.662 -17.460 11.549 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -16.831 -15.836 12.911 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -16.582 -17.551 13.170 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -14.547 -15.369 13.740 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -15.544 -16.170 14.939 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -12.559 -16.026 14.496 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -12.020 -17.708 14.447 1.00 0.00 H new ATOM 316 N ASP A 23 -17.050 -16.384 9.768 1.00 0.00 N ATOM 317 CA ASP A 23 -18.004 -16.739 8.733 1.00 0.00 C ATOM 318 C ASP A 23 -17.247 -17.197 7.501 1.00 0.00 C ATOM 319 O ASP A 23 -17.826 -17.358 6.426 1.00 0.00 O ATOM 320 CB ASP A 23 -18.880 -15.533 8.366 1.00 0.00 C ATOM 321 CG ASP A 23 -19.699 -15.003 9.524 1.00 0.00 C ATOM 322 OD1 ASP A 23 -20.648 -15.686 9.949 1.00 0.00 O ATOM 323 OD2 ASP A 23 -19.398 -13.896 10.005 1.00 0.00 O ATOM 0 H ASP A 23 -16.841 -15.387 9.818 1.00 0.00 H new ATOM 0 HA ASP A 23 -18.646 -17.538 9.104 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -18.243 -14.734 7.987 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -19.552 -15.816 7.556 1.00 0.00 H new ATOM 328 N SER A 24 -15.927 -17.399 7.681 1.00 0.00 N ATOM 329 CA SER A 24 -15.017 -17.763 6.599 1.00 0.00 C ATOM 330 C SER A 24 -14.982 -16.627 5.600 1.00 0.00 C ATOM 331 O SER A 24 -14.723 -16.814 4.411 1.00 0.00 O ATOM 332 CB SER A 24 -15.463 -19.068 5.926 1.00 0.00 C ATOM 333 OG SER A 24 -15.554 -20.131 6.872 1.00 0.00 O ATOM 0 H SER A 24 -15.469 -17.312 8.588 1.00 0.00 H new ATOM 0 HA SER A 24 -14.018 -17.931 7.000 1.00 0.00 H new ATOM 0 HB2 SER A 24 -16.431 -18.921 5.446 1.00 0.00 H new ATOM 0 HB3 SER A 24 -14.756 -19.336 5.141 1.00 0.00 H new ATOM 0 HG SER A 24 -15.842 -20.950 6.417 1.00 0.00 H new ATOM 339 N ASN A 25 -15.220 -15.435 6.117 1.00 0.00 N ATOM 340 CA ASN A 25 -15.287 -14.239 5.299 1.00 0.00 C ATOM 341 C ASN A 25 -13.939 -13.560 5.247 1.00 0.00 C ATOM 342 O ASN A 25 -13.494 -12.970 6.229 1.00 0.00 O ATOM 343 CB ASN A 25 -16.343 -13.277 5.857 1.00 0.00 C ATOM 344 CG ASN A 25 -16.608 -12.060 4.967 1.00 0.00 C ATOM 345 OD1 ASN A 25 -15.759 -11.634 4.186 1.00 0.00 O ATOM 346 ND2 ASN A 25 -17.790 -11.484 5.102 1.00 0.00 N ATOM 0 H ASN A 25 -15.372 -15.270 7.112 1.00 0.00 H new ATOM 0 HA ASN A 25 -15.571 -14.525 4.286 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -17.277 -13.821 5.999 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -16.023 -12.932 6.840 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -18.022 -10.659 4.548 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -18.471 -11.864 5.760 1.00 0.00 H new ATOM 353 N GLU A 26 -13.295 -13.667 4.120 1.00 0.00 N ATOM 354 CA GLU A 26 -12.016 -13.030 3.909 1.00 0.00 C ATOM 355 C GLU A 26 -12.198 -11.736 3.138 1.00 0.00 C ATOM 356 O GLU A 26 -12.890 -11.695 2.117 1.00 0.00 O ATOM 357 CB GLU A 26 -11.039 -13.944 3.162 1.00 0.00 C ATOM 358 CG GLU A 26 -9.717 -13.256 2.815 1.00 0.00 C ATOM 359 CD GLU A 26 -8.802 -14.094 1.948 1.00 0.00 C ATOM 360 OE1 GLU A 26 -8.203 -15.055 2.455 1.00 0.00 O ATOM 361 OE2 GLU A 26 -8.665 -13.774 0.743 1.00 0.00 O ATOM 0 H GLU A 26 -13.637 -14.197 3.319 1.00 0.00 H new ATOM 0 HA GLU A 26 -11.591 -12.817 4.890 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.834 -14.823 3.773 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.510 -14.296 2.244 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.930 -12.318 2.302 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.196 -13.003 3.739 1.00 0.00 H new ATOM 368 N VAL A 27 -11.582 -10.693 3.625 1.00 0.00 N ATOM 369 CA VAL A 27 -11.647 -9.396 3.000 1.00 0.00 C ATOM 370 C VAL A 27 -10.269 -8.770 2.993 1.00 0.00 C ATOM 371 O VAL A 27 -9.515 -8.898 3.955 1.00 0.00 O ATOM 372 CB VAL A 27 -12.670 -8.475 3.710 1.00 0.00 C ATOM 373 CG1 VAL A 27 -12.338 -8.335 5.178 1.00 0.00 C ATOM 374 CG2 VAL A 27 -12.728 -7.110 3.042 1.00 0.00 C ATOM 0 H VAL A 27 -11.016 -10.718 4.473 1.00 0.00 H new ATOM 0 HA VAL A 27 -11.989 -9.521 1.973 1.00 0.00 H new ATOM 0 HB VAL A 27 -13.654 -8.937 3.624 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -13.070 -7.684 5.656 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -12.361 -9.316 5.652 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.343 -7.904 5.286 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -13.454 -6.482 3.559 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -11.745 -6.641 3.087 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -13.027 -7.227 2.000 1.00 0.00 H new ATOM 384 N HIS A 28 -9.930 -8.120 1.909 1.00 0.00 N ATOM 385 CA HIS A 28 -8.613 -7.559 1.767 1.00 0.00 C ATOM 386 C HIS A 28 -8.596 -6.084 2.092 1.00 0.00 C ATOM 387 O HIS A 28 -9.223 -5.270 1.412 1.00 0.00 O ATOM 388 CB HIS A 28 -8.076 -7.785 0.353 1.00 0.00 C ATOM 389 CG HIS A 28 -7.846 -9.228 0.005 1.00 0.00 C ATOM 390 ND1 HIS A 28 -7.493 -9.651 -1.256 1.00 0.00 N ATOM 391 CD2 HIS A 28 -7.936 -10.349 0.759 1.00 0.00 C ATOM 392 CE1 HIS A 28 -7.379 -10.967 -1.261 1.00 0.00 C ATOM 393 NE2 HIS A 28 -7.643 -11.413 -0.050 1.00 0.00 N ATOM 0 H HIS A 28 -10.548 -7.967 1.112 1.00 0.00 H new ATOM 0 HA HIS A 28 -7.967 -8.071 2.480 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -8.778 -7.358 -0.363 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -7.137 -7.242 0.242 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -8.192 -10.395 1.807 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -7.114 -11.575 -2.114 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -7.631 -12.392 0.238 1.00 0.00 H new ATOM 401 N PHE A 29 -7.901 -5.758 3.144 1.00 0.00 N ATOM 402 CA PHE A 29 -7.674 -4.386 3.528 1.00 0.00 C ATOM 403 C PHE A 29 -6.231 -4.046 3.318 1.00 0.00 C ATOM 404 O PHE A 29 -5.365 -4.890 3.490 1.00 0.00 O ATOM 405 CB PHE A 29 -8.052 -4.133 4.983 1.00 0.00 C ATOM 406 CG PHE A 29 -9.527 -4.083 5.247 1.00 0.00 C ATOM 407 CD1 PHE A 29 -10.221 -5.212 5.627 1.00 0.00 C ATOM 408 CD2 PHE A 29 -10.218 -2.887 5.119 1.00 0.00 C ATOM 409 CE1 PHE A 29 -11.578 -5.152 5.876 1.00 0.00 C ATOM 410 CE2 PHE A 29 -11.573 -2.823 5.366 1.00 0.00 C ATOM 411 CZ PHE A 29 -12.254 -3.957 5.745 1.00 0.00 C ATOM 0 H PHE A 29 -7.470 -6.440 3.768 1.00 0.00 H new ATOM 0 HA PHE A 29 -8.307 -3.753 2.906 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.613 -4.917 5.600 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.607 -3.190 5.301 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -9.699 -6.152 5.731 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -9.688 -1.994 4.822 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -12.111 -6.043 6.174 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -12.099 -1.885 5.262 1.00 0.00 H new ATOM 0 HZ PHE A 29 -13.315 -3.911 5.939 1.00 0.00 H new ATOM 421 N ARG A 30 -5.967 -2.834 2.936 1.00 0.00 N ATOM 422 CA ARG A 30 -4.614 -2.417 2.723 1.00 0.00 C ATOM 423 C ARG A 30 -4.161 -1.533 3.854 1.00 0.00 C ATOM 424 O ARG A 30 -4.802 -0.531 4.169 1.00 0.00 O ATOM 425 CB ARG A 30 -4.469 -1.698 1.406 1.00 0.00 C ATOM 426 CG ARG A 30 -3.049 -1.287 1.107 1.00 0.00 C ATOM 427 CD ARG A 30 -2.959 -0.602 -0.218 1.00 0.00 C ATOM 428 NE ARG A 30 -3.635 0.700 -0.183 1.00 0.00 N ATOM 429 CZ ARG A 30 -3.715 1.553 -1.203 1.00 0.00 C ATOM 430 NH1 ARG A 30 -3.258 1.216 -2.398 1.00 0.00 N ATOM 431 NH2 ARG A 30 -4.287 2.737 -1.027 1.00 0.00 N ATOM 0 H ARG A 30 -6.671 -2.116 2.765 1.00 0.00 H new ATOM 0 HA ARG A 30 -3.984 -3.306 2.693 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -4.830 -2.344 0.605 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -5.104 -0.812 1.411 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.686 -0.621 1.890 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -2.404 -2.165 1.111 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -1.913 -0.465 -0.491 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.409 -1.229 -0.987 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.080 0.974 0.693 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.840 0.297 -2.544 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -3.323 1.875 -3.174 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -4.663 2.991 -0.114 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -4.351 3.393 -1.805 1.00 0.00 H new ATOM 445 N VAL A 31 -3.064 -1.903 4.457 1.00 0.00 N ATOM 446 CA VAL A 31 -2.531 -1.183 5.589 1.00 0.00 C ATOM 447 C VAL A 31 -1.030 -1.020 5.456 1.00 0.00 C ATOM 448 O VAL A 31 -0.419 -1.515 4.512 1.00 0.00 O ATOM 449 CB VAL A 31 -2.850 -1.878 6.938 1.00 0.00 C ATOM 450 CG1 VAL A 31 -4.353 -2.010 7.152 1.00 0.00 C ATOM 451 CG2 VAL A 31 -2.169 -3.230 7.026 1.00 0.00 C ATOM 0 H VAL A 31 -2.511 -2.714 4.179 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.014 -0.206 5.591 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.456 -1.248 7.736 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.543 -2.501 8.106 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.808 -1.020 7.157 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.784 -2.604 6.346 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.409 -3.697 7.981 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.518 -3.867 6.213 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.090 -3.100 6.947 1.00 0.00 H new ATOM 461 N LYS A 32 -0.456 -0.312 6.375 1.00 0.00 N ATOM 462 CA LYS A 32 0.963 -0.084 6.396 1.00 0.00 C ATOM 463 C LYS A 32 1.632 -1.211 7.169 1.00 0.00 C ATOM 464 O LYS A 32 0.987 -1.874 7.978 1.00 0.00 O ATOM 465 CB LYS A 32 1.245 1.233 7.107 1.00 0.00 C ATOM 466 CG LYS A 32 2.674 1.722 6.992 1.00 0.00 C ATOM 467 CD LYS A 32 2.866 2.984 7.812 1.00 0.00 C ATOM 468 CE LYS A 32 4.293 3.500 7.751 1.00 0.00 C ATOM 469 NZ LYS A 32 4.689 3.878 6.377 1.00 0.00 N ATOM 0 H LYS A 32 -0.960 0.131 7.143 1.00 0.00 H new ATOM 0 HA LYS A 32 1.348 -0.047 5.377 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.580 1.997 6.704 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.998 1.120 8.163 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.359 0.948 7.337 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.915 1.919 5.947 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.187 3.756 7.450 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.598 2.785 8.850 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.394 4.364 8.408 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.972 2.734 8.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.608 4.364 6.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.765 3.023 5.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.972 4.513 5.972 1.00 0.00 H new ATOM 483 N TYR A 33 2.912 -1.436 6.920 1.00 0.00 N ATOM 484 CA TYR A 33 3.671 -2.407 7.714 1.00 0.00 C ATOM 485 C TYR A 33 3.575 -2.040 9.195 1.00 0.00 C ATOM 486 O TYR A 33 3.392 -2.901 10.050 1.00 0.00 O ATOM 487 CB TYR A 33 5.155 -2.388 7.332 1.00 0.00 C ATOM 488 CG TYR A 33 5.511 -3.039 6.013 1.00 0.00 C ATOM 489 CD1 TYR A 33 5.656 -2.287 4.854 1.00 0.00 C ATOM 490 CD2 TYR A 33 5.726 -4.411 5.938 1.00 0.00 C ATOM 491 CE1 TYR A 33 6.005 -2.886 3.656 1.00 0.00 C ATOM 492 CE2 TYR A 33 6.072 -5.017 4.746 1.00 0.00 C ATOM 493 CZ TYR A 33 6.211 -4.253 3.610 1.00 0.00 C ATOM 494 OH TYR A 33 6.556 -4.852 2.419 1.00 0.00 O ATOM 0 H TYR A 33 3.447 -0.971 6.187 1.00 0.00 H new ATOM 0 HA TYR A 33 3.252 -3.395 7.522 1.00 0.00 H new ATOM 0 HB2 TYR A 33 5.489 -1.351 7.304 1.00 0.00 H new ATOM 0 HB3 TYR A 33 5.719 -2.883 8.122 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.494 -1.220 4.888 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.620 -5.014 6.828 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.116 -2.290 2.762 1.00 0.00 H new ATOM 0 HE2 TYR A 33 6.233 -6.084 4.706 1.00 0.00 H new ATOM 0 HH TYR A 33 6.665 -5.816 2.557 1.00 0.00 H new ATOM 504 N GLY A 34 3.667 -0.744 9.475 1.00 0.00 N ATOM 505 CA GLY A 34 3.614 -0.257 10.836 1.00 0.00 C ATOM 506 C GLY A 34 2.237 0.235 11.211 1.00 0.00 C ATOM 507 O GLY A 34 2.097 1.179 11.989 1.00 0.00 O ATOM 0 H GLY A 34 3.779 -0.015 8.770 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.911 -1.054 11.517 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.333 0.553 10.959 1.00 0.00 H new ATOM 511 N THR A 35 1.227 -0.376 10.631 1.00 0.00 N ATOM 512 CA THR A 35 -0.138 -0.030 10.906 1.00 0.00 C ATOM 513 C THR A 35 -0.563 -0.413 12.334 1.00 0.00 C ATOM 514 O THR A 35 -0.185 -1.466 12.860 1.00 0.00 O ATOM 515 CB THR A 35 -1.076 -0.667 9.856 1.00 0.00 C ATOM 516 OG1 THR A 35 -1.456 0.309 8.872 1.00 0.00 O ATOM 517 CG2 THR A 35 -2.303 -1.308 10.481 1.00 0.00 C ATOM 0 H THR A 35 1.337 -1.130 9.953 1.00 0.00 H new ATOM 0 HA THR A 35 -0.220 1.055 10.837 1.00 0.00 H new ATOM 0 HB THR A 35 -0.519 -1.468 9.370 1.00 0.00 H new ATOM 0 HG1 THR A 35 -2.405 0.530 8.980 1.00 0.00 H new ATOM 0 HG21 THR A 35 -2.927 -1.740 9.698 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.992 -2.092 11.171 1.00 0.00 H new ATOM 0 HG23 THR A 35 -2.872 -0.553 11.023 1.00 0.00 H new ATOM 525 N SER A 36 -1.312 0.483 12.959 1.00 0.00 N ATOM 526 CA SER A 36 -1.844 0.262 14.285 1.00 0.00 C ATOM 527 C SER A 36 -3.130 -0.556 14.194 1.00 0.00 C ATOM 528 O SER A 36 -3.739 -0.635 13.129 1.00 0.00 O ATOM 529 CB SER A 36 -2.121 1.604 14.958 1.00 0.00 C ATOM 530 OG SER A 36 -3.181 2.293 14.318 1.00 0.00 O ATOM 0 H SER A 36 -1.566 1.385 12.555 1.00 0.00 H new ATOM 0 HA SER A 36 -1.116 -0.289 14.880 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.370 1.442 16.007 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.220 2.217 14.935 1.00 0.00 H new ATOM 0 HG SER A 36 -3.337 3.148 14.772 1.00 0.00 H new ATOM 536 N MET A 37 -3.564 -1.130 15.311 1.00 0.00 N ATOM 537 CA MET A 37 -4.787 -1.943 15.318 1.00 0.00 C ATOM 538 C MET A 37 -5.999 -1.119 14.897 1.00 0.00 C ATOM 539 O MET A 37 -6.916 -1.631 14.265 1.00 0.00 O ATOM 540 CB MET A 37 -5.043 -2.551 16.701 1.00 0.00 C ATOM 541 CG MET A 37 -5.371 -1.529 17.783 1.00 0.00 C ATOM 542 SD MET A 37 -5.777 -2.290 19.362 1.00 0.00 S ATOM 543 CE MET A 37 -5.999 -0.843 20.386 1.00 0.00 C ATOM 0 H MET A 37 -3.098 -1.053 16.215 1.00 0.00 H new ATOM 0 HA MET A 37 -4.638 -2.749 14.599 1.00 0.00 H new ATOM 0 HB2 MET A 37 -5.867 -3.261 16.626 1.00 0.00 H new ATOM 0 HB3 MET A 37 -4.162 -3.116 17.006 1.00 0.00 H new ATOM 0 HG2 MET A 37 -4.520 -0.861 17.915 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.210 -0.915 17.454 1.00 0.00 H new ATOM 0 HE1 MET A 37 -5.613 -1.042 21.386 1.00 0.00 H new ATOM 0 HE2 MET A 37 -5.460 -0.002 19.950 1.00 0.00 H new ATOM 0 HE3 MET A 37 -7.060 -0.601 20.448 1.00 0.00 H new ATOM 553 N ALA A 38 -5.973 0.163 15.222 1.00 0.00 N ATOM 554 CA ALA A 38 -7.074 1.061 14.923 1.00 0.00 C ATOM 555 C ALA A 38 -7.310 1.161 13.434 1.00 0.00 C ATOM 556 O ALA A 38 -8.442 1.220 12.987 1.00 0.00 O ATOM 557 CB ALA A 38 -6.819 2.436 15.507 1.00 0.00 C ATOM 0 H ALA A 38 -5.190 0.609 15.699 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.972 0.647 15.382 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.656 3.093 15.271 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.713 2.358 16.589 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.904 2.848 15.082 1.00 0.00 H new ATOM 563 N LYS A 39 -6.233 1.146 12.677 1.00 0.00 N ATOM 564 CA LYS A 39 -6.296 1.324 11.237 1.00 0.00 C ATOM 565 C LYS A 39 -7.149 0.238 10.583 1.00 0.00 C ATOM 566 O LYS A 39 -7.914 0.515 9.680 1.00 0.00 O ATOM 567 CB LYS A 39 -4.885 1.282 10.664 1.00 0.00 C ATOM 568 CG LYS A 39 -3.970 2.374 11.213 1.00 0.00 C ATOM 569 CD LYS A 39 -4.442 3.763 10.817 1.00 0.00 C ATOM 570 CE LYS A 39 -3.509 4.831 11.356 1.00 0.00 C ATOM 571 NZ LYS A 39 -3.955 6.198 11.003 1.00 0.00 N ATOM 0 H LYS A 39 -5.289 1.010 13.040 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.757 2.289 11.027 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.444 0.308 10.878 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.939 1.376 9.579 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.929 2.301 12.300 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.956 2.217 10.845 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.495 3.837 9.731 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.450 3.930 11.197 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.445 4.741 12.440 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.506 4.666 10.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.286 6.893 11.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.991 6.295 9.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.901 6.368 11.400 1.00 0.00 H new ATOM 585 N LEU A 40 -7.016 -0.989 11.050 1.00 0.00 N ATOM 586 CA LEU A 40 -7.787 -2.095 10.500 1.00 0.00 C ATOM 587 C LEU A 40 -9.129 -2.249 11.189 1.00 0.00 C ATOM 588 O LEU A 40 -10.144 -2.452 10.537 1.00 0.00 O ATOM 589 CB LEU A 40 -7.014 -3.422 10.534 1.00 0.00 C ATOM 590 CG LEU A 40 -6.306 -3.791 11.846 1.00 0.00 C ATOM 591 CD1 LEU A 40 -6.218 -5.299 11.984 1.00 0.00 C ATOM 592 CD2 LEU A 40 -4.911 -3.208 11.862 1.00 0.00 C ATOM 0 H LEU A 40 -6.384 -1.248 11.807 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.968 -1.843 9.455 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.710 -4.224 10.289 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.265 -3.397 9.742 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.880 -3.384 12.678 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.714 -5.550 12.917 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.222 -5.723 11.988 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.654 -5.709 11.146 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.416 -3.474 12.796 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.341 -3.606 11.023 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.969 -2.123 11.779 1.00 0.00 H new ATOM 604 N LYS A 41 -9.124 -2.158 12.510 1.00 0.00 N ATOM 605 CA LYS A 41 -10.336 -2.340 13.299 1.00 0.00 C ATOM 606 C LYS A 41 -11.354 -1.297 12.973 1.00 0.00 C ATOM 607 O LYS A 41 -12.510 -1.611 12.775 1.00 0.00 O ATOM 608 CB LYS A 41 -9.996 -2.280 14.772 1.00 0.00 C ATOM 609 CG LYS A 41 -9.186 -3.452 15.263 1.00 0.00 C ATOM 610 CD LYS A 41 -8.616 -3.182 16.631 1.00 0.00 C ATOM 611 CE LYS A 41 -9.707 -3.040 17.687 1.00 0.00 C ATOM 612 NZ LYS A 41 -9.147 -2.794 19.041 1.00 0.00 N ATOM 0 H LYS A 41 -8.290 -1.958 13.062 1.00 0.00 H new ATOM 0 HA LYS A 41 -10.759 -3.315 13.057 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.443 -1.361 14.970 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.921 -2.225 15.346 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.813 -4.343 15.296 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.377 -3.658 14.562 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.944 -3.994 16.911 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.019 -2.270 16.602 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -10.370 -2.218 17.415 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.313 -3.946 17.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.356 -3.606 19.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.117 -2.668 18.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.575 -1.936 19.443 1.00 0.00 H new ATOM 626 N LYS A 42 -10.919 -0.061 12.892 1.00 0.00 N ATOM 627 CA LYS A 42 -11.812 1.017 12.517 1.00 0.00 C ATOM 628 C LYS A 42 -12.316 0.789 11.119 1.00 0.00 C ATOM 629 O LYS A 42 -13.482 0.975 10.841 1.00 0.00 O ATOM 630 CB LYS A 42 -11.126 2.382 12.618 1.00 0.00 C ATOM 631 CG LYS A 42 -12.043 3.554 12.282 1.00 0.00 C ATOM 632 CD LYS A 42 -11.321 4.890 12.394 1.00 0.00 C ATOM 633 CE LYS A 42 -10.854 5.168 13.817 1.00 0.00 C ATOM 634 NZ LYS A 42 -11.984 5.247 14.781 1.00 0.00 N ATOM 0 H LYS A 42 -9.958 0.225 13.079 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.651 1.022 13.213 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -10.741 2.512 13.629 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -10.268 2.399 11.946 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -12.430 3.434 11.270 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.901 3.548 12.954 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.462 4.895 11.723 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -11.986 5.690 12.068 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.167 4.382 14.131 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.297 6.105 13.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.699 5.815 15.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.803 5.693 14.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.241 4.289 15.093 1.00 0.00 H new ATOM 648 N SER A 43 -11.421 0.360 10.250 1.00 0.00 N ATOM 649 CA SER A 43 -11.763 0.115 8.860 1.00 0.00 C ATOM 650 C SER A 43 -12.787 -1.015 8.706 1.00 0.00 C ATOM 651 O SER A 43 -13.770 -0.884 7.974 1.00 0.00 O ATOM 652 CB SER A 43 -10.493 -0.178 8.053 1.00 0.00 C ATOM 653 OG SER A 43 -9.705 0.995 7.918 1.00 0.00 O ATOM 0 H SER A 43 -10.446 0.173 10.483 1.00 0.00 H new ATOM 0 HA SER A 43 -12.233 1.017 8.468 1.00 0.00 H new ATOM 0 HB2 SER A 43 -9.913 -0.957 8.548 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.762 -0.558 7.067 1.00 0.00 H new ATOM 0 HG SER A 43 -9.143 1.105 8.714 1.00 0.00 H new ATOM 659 N TYR A 44 -12.565 -2.113 9.400 1.00 0.00 N ATOM 660 CA TYR A 44 -13.484 -3.231 9.353 1.00 0.00 C ATOM 661 C TYR A 44 -14.772 -2.901 10.076 1.00 0.00 C ATOM 662 O TYR A 44 -15.853 -3.175 9.587 1.00 0.00 O ATOM 663 CB TYR A 44 -12.851 -4.460 9.955 1.00 0.00 C ATOM 664 CG TYR A 44 -13.668 -5.712 9.766 1.00 0.00 C ATOM 665 CD1 TYR A 44 -13.432 -6.558 8.697 1.00 0.00 C ATOM 666 CD2 TYR A 44 -14.679 -6.039 10.651 1.00 0.00 C ATOM 667 CE1 TYR A 44 -14.180 -7.698 8.512 1.00 0.00 C ATOM 668 CE2 TYR A 44 -15.435 -7.176 10.478 1.00 0.00 C ATOM 669 CZ TYR A 44 -15.181 -8.004 9.405 1.00 0.00 C ATOM 670 OH TYR A 44 -15.931 -9.137 9.224 1.00 0.00 O ATOM 0 H TYR A 44 -11.755 -2.255 10.004 1.00 0.00 H new ATOM 0 HA TYR A 44 -13.718 -3.432 8.308 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -11.867 -4.607 9.510 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -12.697 -4.294 11.021 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -12.647 -6.319 7.995 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -14.879 -5.391 11.492 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -13.983 -8.348 7.672 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -16.221 -7.418 11.178 1.00 0.00 H new ATOM 0 HH TYR A 44 -16.595 -9.208 9.942 1.00 0.00 H new ATOM 680 N ALA A 45 -14.649 -2.315 11.248 1.00 0.00 N ATOM 681 CA ALA A 45 -15.815 -1.922 12.019 1.00 0.00 C ATOM 682 C ALA A 45 -16.632 -0.903 11.243 1.00 0.00 C ATOM 683 O ALA A 45 -17.837 -0.804 11.406 1.00 0.00 O ATOM 684 CB ALA A 45 -15.417 -1.362 13.369 1.00 0.00 C ATOM 0 H ALA A 45 -13.755 -2.099 11.690 1.00 0.00 H new ATOM 0 HA ALA A 45 -16.424 -2.809 12.193 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -16.312 -1.077 13.923 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -14.869 -2.119 13.930 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -14.783 -0.486 13.227 1.00 0.00 H new ATOM 690 N ASP A 46 -15.947 -0.156 10.402 1.00 0.00 N ATOM 691 CA ASP A 46 -16.566 0.882 9.566 1.00 0.00 C ATOM 692 C ASP A 46 -17.553 0.280 8.573 1.00 0.00 C ATOM 693 O ASP A 46 -18.668 0.772 8.418 1.00 0.00 O ATOM 694 CB ASP A 46 -15.489 1.658 8.803 1.00 0.00 C ATOM 695 CG ASP A 46 -16.044 2.797 7.976 1.00 0.00 C ATOM 696 OD1 ASP A 46 -16.287 3.885 8.538 1.00 0.00 O ATOM 697 OD2 ASP A 46 -16.229 2.613 6.753 1.00 0.00 O ATOM 0 H ASP A 46 -14.939 -0.243 10.270 1.00 0.00 H new ATOM 0 HA ASP A 46 -17.108 1.558 10.227 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -14.764 2.054 9.514 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -14.951 0.972 8.149 1.00 0.00 H new ATOM 702 N ARG A 47 -17.139 -0.799 7.908 1.00 0.00 N ATOM 703 CA ARG A 47 -17.980 -1.452 6.898 1.00 0.00 C ATOM 704 C ARG A 47 -19.227 -2.065 7.535 1.00 0.00 C ATOM 705 O ARG A 47 -20.267 -2.196 6.893 1.00 0.00 O ATOM 706 CB ARG A 47 -17.194 -2.543 6.148 1.00 0.00 C ATOM 707 CG ARG A 47 -16.846 -3.746 7.004 1.00 0.00 C ATOM 708 CD ARG A 47 -16.272 -4.889 6.195 1.00 0.00 C ATOM 709 NE ARG A 47 -17.284 -5.528 5.360 1.00 0.00 N ATOM 710 CZ ARG A 47 -17.052 -6.565 4.561 1.00 0.00 C ATOM 711 NH1 ARG A 47 -15.828 -7.060 4.451 1.00 0.00 N ATOM 712 NH2 ARG A 47 -18.041 -7.105 3.871 1.00 0.00 N ATOM 0 H ARG A 47 -16.230 -1.240 8.048 1.00 0.00 H new ATOM 0 HA ARG A 47 -18.288 -0.686 6.186 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -17.780 -2.876 5.291 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -16.274 -2.110 5.756 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -16.127 -3.449 7.767 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -17.740 -4.088 7.525 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -15.464 -4.518 5.565 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -15.838 -5.628 6.868 1.00 0.00 H new ATOM 0 HE ARG A 47 -18.232 -5.154 5.391 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -15.061 -6.645 4.980 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -15.653 -7.856 3.837 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -18.985 -6.726 3.951 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -17.861 -7.901 3.259 1.00 0.00 H new ATOM 726 N THR A 48 -19.109 -2.436 8.794 1.00 0.00 N ATOM 727 CA THR A 48 -20.202 -3.059 9.508 1.00 0.00 C ATOM 728 C THR A 48 -20.980 -2.033 10.355 1.00 0.00 C ATOM 729 O THR A 48 -22.127 -2.268 10.735 1.00 0.00 O ATOM 730 CB THR A 48 -19.699 -4.261 10.373 1.00 0.00 C ATOM 731 OG1 THR A 48 -20.725 -4.730 11.253 1.00 0.00 O ATOM 732 CG2 THR A 48 -18.462 -3.897 11.174 1.00 0.00 C ATOM 0 H THR A 48 -18.260 -2.315 9.346 1.00 0.00 H new ATOM 0 HA THR A 48 -20.897 -3.457 8.769 1.00 0.00 H new ATOM 0 HB THR A 48 -19.436 -5.060 9.680 1.00 0.00 H new ATOM 0 HG1 THR A 48 -20.316 -5.184 12.019 1.00 0.00 H new ATOM 0 HG21 THR A 48 -18.143 -4.758 11.762 1.00 0.00 H new ATOM 0 HG22 THR A 48 -17.661 -3.605 10.494 1.00 0.00 H new ATOM 0 HG23 THR A 48 -18.692 -3.067 11.842 1.00 0.00 H new ATOM 740 N GLY A 49 -20.366 -0.881 10.606 1.00 0.00 N ATOM 741 CA GLY A 49 -21.010 0.149 11.404 1.00 0.00 C ATOM 742 C GLY A 49 -21.099 -0.237 12.865 1.00 0.00 C ATOM 743 O GLY A 49 -22.028 0.168 13.572 1.00 0.00 O ATOM 0 H GLY A 49 -19.433 -0.641 10.271 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -20.454 1.082 11.309 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -22.012 0.334 11.016 1.00 0.00 H new ATOM 747 N VAL A 50 -20.137 -1.016 13.318 1.00 0.00 N ATOM 748 CA VAL A 50 -20.131 -1.510 14.679 1.00 0.00 C ATOM 749 C VAL A 50 -19.033 -0.822 15.496 1.00 0.00 C ATOM 750 O VAL A 50 -18.277 0.000 14.969 1.00 0.00 O ATOM 751 CB VAL A 50 -19.902 -3.042 14.709 1.00 0.00 C ATOM 752 CG1 VAL A 50 -18.410 -3.379 14.589 1.00 0.00 C ATOM 753 CG2 VAL A 50 -20.518 -3.642 15.954 1.00 0.00 C ATOM 0 H VAL A 50 -19.342 -1.322 12.757 1.00 0.00 H new ATOM 0 HA VAL A 50 -21.104 -1.286 15.117 1.00 0.00 H new ATOM 0 HB VAL A 50 -20.399 -3.485 13.846 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -18.278 -4.461 14.613 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -18.023 -2.987 13.648 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -17.867 -2.929 15.420 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -20.349 -4.719 15.961 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -20.060 -3.197 16.837 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -21.590 -3.443 15.962 1.00 0.00 H new ATOM 763 N ALA A 51 -18.980 -1.144 16.784 1.00 0.00 N ATOM 764 CA ALA A 51 -17.961 -0.647 17.674 1.00 0.00 C ATOM 765 C ALA A 51 -16.573 -1.048 17.172 1.00 0.00 C ATOM 766 O ALA A 51 -16.300 -2.229 16.949 1.00 0.00 O ATOM 767 CB ALA A 51 -18.197 -1.239 19.049 1.00 0.00 C ATOM 0 H ALA A 51 -19.654 -1.764 17.234 1.00 0.00 H new ATOM 0 HA ALA A 51 -18.010 0.441 17.716 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -17.435 -0.874 19.738 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -19.183 -0.943 19.408 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -18.143 -2.326 18.991 1.00 0.00 H new ATOM 773 N VAL A 52 -15.705 -0.063 17.014 1.00 0.00 N ATOM 774 CA VAL A 52 -14.351 -0.296 16.536 1.00 0.00 C ATOM 775 C VAL A 52 -13.551 -1.109 17.542 1.00 0.00 C ATOM 776 O VAL A 52 -12.864 -2.073 17.189 1.00 0.00 O ATOM 777 CB VAL A 52 -13.614 1.038 16.269 1.00 0.00 C ATOM 778 CG1 VAL A 52 -12.152 0.794 15.930 1.00 0.00 C ATOM 779 CG2 VAL A 52 -14.301 1.824 15.162 1.00 0.00 C ATOM 0 H VAL A 52 -15.916 0.915 17.212 1.00 0.00 H new ATOM 0 HA VAL A 52 -14.433 -0.853 15.603 1.00 0.00 H new ATOM 0 HB VAL A 52 -13.654 1.632 17.182 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -11.657 1.748 15.747 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -11.665 0.286 16.763 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -12.084 0.173 15.037 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -13.765 2.758 14.992 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -14.303 1.235 14.245 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -15.328 2.043 15.455 1.00 0.00 H new ATOM 789 N ASN A 53 -13.664 -0.720 18.795 1.00 0.00 N ATOM 790 CA ASN A 53 -12.921 -1.350 19.867 1.00 0.00 C ATOM 791 C ASN A 53 -13.401 -2.764 20.117 1.00 0.00 C ATOM 792 O ASN A 53 -12.618 -3.634 20.480 1.00 0.00 O ATOM 793 CB ASN A 53 -13.019 -0.524 21.155 1.00 0.00 C ATOM 794 CG ASN A 53 -12.035 -0.989 22.219 1.00 0.00 C ATOM 795 OD1 ASN A 53 -10.951 -1.478 21.906 1.00 0.00 O ATOM 796 ND2 ASN A 53 -12.402 -0.833 23.474 1.00 0.00 N ATOM 0 H ASN A 53 -14.272 0.040 19.099 1.00 0.00 H new ATOM 0 HA ASN A 53 -11.877 -1.396 19.557 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -12.833 0.525 20.926 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -14.033 -0.589 21.549 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -11.778 -1.122 24.227 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -13.310 -0.423 23.693 1.00 0.00 H new ATOM 803 N SER A 54 -14.685 -2.998 19.891 1.00 0.00 N ATOM 804 CA SER A 54 -15.282 -4.283 20.181 1.00 0.00 C ATOM 805 C SER A 54 -15.030 -5.297 19.063 1.00 0.00 C ATOM 806 O SER A 54 -15.368 -6.465 19.200 1.00 0.00 O ATOM 807 CB SER A 54 -16.769 -4.122 20.438 1.00 0.00 C ATOM 808 OG SER A 54 -17.002 -3.236 21.530 1.00 0.00 O ATOM 0 H SER A 54 -15.331 -2.309 19.506 1.00 0.00 H new ATOM 0 HA SER A 54 -14.807 -4.675 21.080 1.00 0.00 H new ATOM 0 HB2 SER A 54 -17.258 -3.739 19.542 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.213 -5.094 20.652 1.00 0.00 H new ATOM 0 HG SER A 54 -17.967 -3.145 21.677 1.00 0.00 H new ATOM 814 N LEU A 55 -14.406 -4.856 17.981 1.00 0.00 N ATOM 815 CA LEU A 55 -14.065 -5.757 16.890 1.00 0.00 C ATOM 816 C LEU A 55 -12.664 -6.316 17.175 1.00 0.00 C ATOM 817 O LEU A 55 -11.728 -5.562 17.455 1.00 0.00 O ATOM 818 CB LEU A 55 -14.067 -4.979 15.554 1.00 0.00 C ATOM 819 CG LEU A 55 -14.365 -5.780 14.263 1.00 0.00 C ATOM 820 CD1 LEU A 55 -13.424 -6.957 14.101 1.00 0.00 C ATOM 821 CD2 LEU A 55 -15.794 -6.267 14.254 1.00 0.00 C ATOM 0 H LEU A 55 -14.127 -3.886 17.835 1.00 0.00 H new ATOM 0 HA LEU A 55 -14.789 -6.568 16.814 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -14.803 -4.179 15.631 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -13.092 -4.505 15.439 1.00 0.00 H new ATOM 0 HG LEU A 55 -14.210 -5.102 13.423 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -13.666 -7.493 13.183 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -12.396 -6.597 14.050 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -13.532 -7.629 14.953 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -15.982 -6.827 13.338 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -15.964 -6.913 15.116 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -16.470 -5.413 14.302 1.00 0.00 H new ATOM 833 N ARG A 56 -12.530 -7.638 17.124 1.00 0.00 N ATOM 834 CA ARG A 56 -11.285 -8.290 17.514 1.00 0.00 C ATOM 835 C ARG A 56 -10.501 -8.801 16.332 1.00 0.00 C ATOM 836 O ARG A 56 -10.976 -9.652 15.581 1.00 0.00 O ATOM 837 CB ARG A 56 -11.543 -9.479 18.451 1.00 0.00 C ATOM 838 CG ARG A 56 -11.735 -9.136 19.921 1.00 0.00 C ATOM 839 CD ARG A 56 -13.045 -8.420 20.176 1.00 0.00 C ATOM 840 NE ARG A 56 -13.238 -8.146 21.596 1.00 0.00 N ATOM 841 CZ ARG A 56 -12.782 -7.065 22.218 1.00 0.00 C ATOM 842 NH1 ARG A 56 -12.162 -6.115 21.533 1.00 0.00 N ATOM 843 NH2 ARG A 56 -12.954 -6.930 23.524 1.00 0.00 N ATOM 0 H ARG A 56 -13.265 -8.276 16.818 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.705 -7.520 18.024 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -12.431 -10.006 18.102 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.706 -10.172 18.366 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -11.702 -10.051 20.513 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -10.909 -8.509 20.257 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -13.064 -7.484 19.618 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -13.871 -9.028 19.806 1.00 0.00 H new ATOM 0 HE ARG A 56 -13.757 -8.830 22.147 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -12.034 -6.213 20.526 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.813 -5.286 22.013 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -13.437 -7.657 24.053 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.604 -6.100 24.001 1.00 0.00 H new ATOM 857 N PHE A 57 -9.307 -8.285 16.175 1.00 0.00 N ATOM 858 CA PHE A 57 -8.385 -8.810 15.196 1.00 0.00 C ATOM 859 C PHE A 57 -7.234 -9.485 15.881 1.00 0.00 C ATOM 860 O PHE A 57 -6.669 -8.957 16.846 1.00 0.00 O ATOM 861 CB PHE A 57 -7.864 -7.738 14.288 1.00 0.00 C ATOM 862 CG PHE A 57 -8.855 -7.248 13.300 1.00 0.00 C ATOM 863 CD1 PHE A 57 -9.815 -6.342 13.655 1.00 0.00 C ATOM 864 CD2 PHE A 57 -8.798 -7.679 11.998 1.00 0.00 C ATOM 865 CE1 PHE A 57 -10.710 -5.869 12.728 1.00 0.00 C ATOM 866 CE2 PHE A 57 -9.688 -7.219 11.066 1.00 0.00 C ATOM 867 CZ PHE A 57 -10.644 -6.312 11.431 1.00 0.00 C ATOM 0 H PHE A 57 -8.949 -7.498 16.715 1.00 0.00 H new ATOM 0 HA PHE A 57 -8.932 -9.532 14.589 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.524 -6.898 14.893 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -6.993 -8.120 13.755 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -9.870 -5.995 14.676 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -8.040 -8.391 11.705 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -11.463 -5.151 13.018 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -9.636 -7.571 10.046 1.00 0.00 H new ATOM 0 HZ PHE A 57 -11.347 -5.944 10.698 1.00 0.00 H new ATOM 877 N LEU A 58 -6.889 -10.641 15.396 1.00 0.00 N ATOM 878 CA LEU A 58 -5.831 -11.414 15.966 1.00 0.00 C ATOM 879 C LEU A 58 -4.834 -11.821 14.943 1.00 0.00 C ATOM 880 O LEU A 58 -5.127 -11.920 13.751 1.00 0.00 O ATOM 881 CB LEU A 58 -6.363 -12.652 16.653 1.00 0.00 C ATOM 882 CG LEU A 58 -6.924 -12.461 18.054 1.00 0.00 C ATOM 883 CD1 LEU A 58 -5.998 -11.664 18.895 1.00 0.00 C ATOM 884 CD2 LEU A 58 -8.298 -11.829 18.032 1.00 0.00 C ATOM 0 H LEU A 58 -7.338 -11.075 14.589 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.343 -10.774 16.701 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -7.146 -13.080 16.027 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.559 -13.386 16.704 1.00 0.00 H new ATOM 0 HG LEU A 58 -7.025 -13.453 18.495 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.424 -11.543 19.891 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.040 -12.179 18.970 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.848 -10.684 18.443 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -8.661 -11.711 19.053 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -8.241 -10.852 17.552 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -8.983 -12.468 17.475 1.00 0.00 H new ATOM 896 N PHE A 59 -3.663 -12.056 15.420 1.00 0.00 N ATOM 897 CA PHE A 59 -2.579 -12.526 14.597 1.00 0.00 C ATOM 898 C PHE A 59 -2.085 -13.824 15.166 1.00 0.00 C ATOM 899 O PHE A 59 -1.497 -13.845 16.219 1.00 0.00 O ATOM 900 CB PHE A 59 -1.457 -11.490 14.539 1.00 0.00 C ATOM 901 CG PHE A 59 -0.268 -11.941 13.746 1.00 0.00 C ATOM 902 CD1 PHE A 59 -0.384 -12.198 12.397 1.00 0.00 C ATOM 903 CD2 PHE A 59 0.967 -12.093 14.352 1.00 0.00 C ATOM 904 CE1 PHE A 59 0.707 -12.603 11.660 1.00 0.00 C ATOM 905 CE2 PHE A 59 2.064 -12.501 13.622 1.00 0.00 C ATOM 906 CZ PHE A 59 1.933 -12.757 12.271 1.00 0.00 C ATOM 0 H PHE A 59 -3.417 -11.929 16.402 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.926 -12.682 13.576 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -1.846 -10.569 14.104 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.138 -11.254 15.554 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.342 -12.080 11.912 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.073 -11.890 15.407 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.602 -12.800 10.603 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.022 -12.620 14.105 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.789 -13.077 11.695 1.00 0.00 H new ATOM 916 N ASP A 60 -2.360 -14.910 14.481 1.00 0.00 N ATOM 917 CA ASP A 60 -2.026 -16.254 14.986 1.00 0.00 C ATOM 918 C ASP A 60 -2.640 -16.481 16.378 1.00 0.00 C ATOM 919 O ASP A 60 -2.176 -17.325 17.152 1.00 0.00 O ATOM 920 CB ASP A 60 -0.511 -16.466 15.071 1.00 0.00 C ATOM 921 CG ASP A 60 0.199 -16.332 13.747 1.00 0.00 C ATOM 922 OD1 ASP A 60 -0.194 -17.018 12.782 1.00 0.00 O ATOM 923 OD2 ASP A 60 1.172 -15.567 13.672 1.00 0.00 O ATOM 0 H ASP A 60 -2.815 -14.906 13.568 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.442 -16.971 14.278 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.092 -15.744 15.772 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.315 -17.458 15.479 1.00 0.00 H new ATOM 928 N GLY A 61 -3.683 -15.722 16.684 1.00 0.00 N ATOM 929 CA GLY A 61 -4.344 -15.827 17.967 1.00 0.00 C ATOM 930 C GLY A 61 -3.809 -14.828 18.983 1.00 0.00 C ATOM 931 O GLY A 61 -4.372 -14.680 20.063 1.00 0.00 O ATOM 0 H GLY A 61 -4.087 -15.027 16.056 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.414 -15.668 17.835 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.218 -16.838 18.355 1.00 0.00 H new ATOM 935 N ARG A 62 -2.734 -14.130 18.633 1.00 0.00 N ATOM 936 CA ARG A 62 -2.151 -13.140 19.526 1.00 0.00 C ATOM 937 C ARG A 62 -2.769 -11.785 19.230 1.00 0.00 C ATOM 938 O ARG A 62 -3.039 -11.461 18.067 1.00 0.00 O ATOM 939 CB ARG A 62 -0.600 -13.118 19.408 1.00 0.00 C ATOM 940 CG ARG A 62 -0.053 -12.471 18.140 1.00 0.00 C ATOM 941 CD ARG A 62 0.214 -10.989 18.307 1.00 0.00 C ATOM 942 NE ARG A 62 1.540 -10.727 18.860 1.00 0.00 N ATOM 943 CZ ARG A 62 1.965 -9.520 19.224 1.00 0.00 C ATOM 944 NH1 ARG A 62 1.131 -8.497 19.211 1.00 0.00 N ATOM 945 NH2 ARG A 62 3.216 -9.342 19.626 1.00 0.00 N ATOM 0 H ARG A 62 -2.251 -14.232 17.740 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.372 -13.404 20.560 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -0.194 -12.589 20.270 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -0.233 -14.143 19.461 1.00 0.00 H new ATOM 0 HG2 ARG A 62 0.871 -12.972 17.851 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -0.763 -12.618 17.326 1.00 0.00 H new ATOM 0 HD2 ARG A 62 0.121 -10.493 17.341 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -0.543 -10.557 18.961 1.00 0.00 H new ATOM 0 HE ARG A 62 2.177 -11.515 18.974 1.00 0.00 H new ATOM 0 HH11 ARG A 62 0.162 -8.632 18.922 1.00 0.00 H new ATOM 0 HH12 ARG A 62 1.455 -7.571 19.490 1.00 0.00 H new ATOM 0 HH21 ARG A 62 3.859 -10.133 19.658 1.00 0.00 H new ATOM 0 HH22 ARG A 62 3.535 -8.414 19.904 1.00 0.00 H new ATOM 959 N ARG A 63 -3.004 -11.008 20.266 1.00 0.00 N ATOM 960 CA ARG A 63 -3.692 -9.736 20.134 1.00 0.00 C ATOM 961 C ARG A 63 -2.911 -8.725 19.308 1.00 0.00 C ATOM 962 O ARG A 63 -1.685 -8.629 19.413 1.00 0.00 O ATOM 963 CB ARG A 63 -4.004 -9.152 21.516 1.00 0.00 C ATOM 964 CG ARG A 63 -5.250 -9.733 22.187 1.00 0.00 C ATOM 965 CD ARG A 63 -5.134 -11.230 22.443 1.00 0.00 C ATOM 966 NE ARG A 63 -4.014 -11.560 23.322 1.00 0.00 N ATOM 967 CZ ARG A 63 -3.582 -12.802 23.542 1.00 0.00 C ATOM 968 NH1 ARG A 63 -4.193 -13.833 22.968 1.00 0.00 N ATOM 969 NH2 ARG A 63 -2.545 -13.011 24.338 1.00 0.00 N ATOM 0 H ARG A 63 -2.726 -11.236 21.220 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.621 -9.937 19.601 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -3.146 -9.317 22.168 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.129 -8.073 21.420 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.422 -9.219 23.133 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.119 -9.542 21.558 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -6.061 -11.593 22.888 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.012 -11.750 21.493 1.00 0.00 H new ATOM 0 HE ARG A 63 -3.534 -10.794 23.795 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -4.995 -13.675 22.357 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.860 -14.782 23.138 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.076 -12.222 24.783 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.215 -13.961 24.506 1.00 0.00 H new ATOM 983 N ILE A 64 -3.622 -7.994 18.467 1.00 0.00 N ATOM 984 CA ILE A 64 -3.028 -6.918 17.708 1.00 0.00 C ATOM 985 C ILE A 64 -3.436 -5.598 18.337 1.00 0.00 C ATOM 986 O ILE A 64 -4.621 -5.273 18.399 1.00 0.00 O ATOM 987 CB ILE A 64 -3.509 -6.929 16.240 1.00 0.00 C ATOM 988 CG1 ILE A 64 -3.166 -8.264 15.581 1.00 0.00 C ATOM 989 CG2 ILE A 64 -2.877 -5.772 15.462 1.00 0.00 C ATOM 990 CD1 ILE A 64 -3.793 -8.439 14.220 1.00 0.00 C ATOM 0 H ILE A 64 -4.618 -8.131 18.295 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.946 -7.046 17.719 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.592 -6.802 16.228 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.083 -8.347 15.487 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.493 -9.076 16.231 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.226 -5.794 14.430 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.162 -4.826 15.921 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.792 -5.871 15.480 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.508 -9.408 13.810 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.878 -8.388 14.310 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.446 -7.648 13.555 1.00 0.00 H new ATOM 1002 N ASN A 65 -2.467 -4.854 18.810 1.00 0.00 N ATOM 1003 CA ASN A 65 -2.720 -3.573 19.425 1.00 0.00 C ATOM 1004 C ASN A 65 -1.975 -2.476 18.696 1.00 0.00 C ATOM 1005 O ASN A 65 -1.099 -2.744 17.878 1.00 0.00 O ATOM 1006 CB ASN A 65 -2.348 -3.582 20.911 1.00 0.00 C ATOM 1007 CG ASN A 65 -3.381 -4.283 21.781 1.00 0.00 C ATOM 1008 OD1 ASN A 65 -4.382 -3.683 22.180 1.00 0.00 O ATOM 1009 ND2 ASN A 65 -3.141 -5.540 22.096 1.00 0.00 N ATOM 0 H ASN A 65 -1.482 -5.118 18.780 1.00 0.00 H new ATOM 0 HA ASN A 65 -3.789 -3.375 19.352 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.383 -4.074 21.035 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.228 -2.555 21.256 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -3.795 -6.051 22.690 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.302 -6.002 21.746 1.00 0.00 H new ATOM 1016 N ASP A 66 -2.330 -1.241 18.987 1.00 0.00 N ATOM 1017 CA ASP A 66 -1.732 -0.084 18.332 1.00 0.00 C ATOM 1018 C ASP A 66 -0.289 0.122 18.770 1.00 0.00 C ATOM 1019 O ASP A 66 0.462 0.851 18.124 1.00 0.00 O ATOM 1020 CB ASP A 66 -2.550 1.182 18.627 1.00 0.00 C ATOM 1021 CG ASP A 66 -2.650 1.485 20.112 1.00 0.00 C ATOM 1022 OD1 ASP A 66 -3.142 0.617 20.868 1.00 0.00 O ATOM 1023 OD2 ASP A 66 -2.247 2.584 20.528 1.00 0.00 O ATOM 0 H ASP A 66 -3.039 -1.006 19.682 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.738 -0.276 17.259 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.094 2.031 18.118 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.553 1.065 18.216 1.00 0.00 H new ATOM 1028 N ASP A 67 0.101 -0.526 19.854 1.00 0.00 N ATOM 1029 CA ASP A 67 1.436 -0.390 20.365 1.00 0.00 C ATOM 1030 C ASP A 67 2.362 -1.460 19.801 1.00 0.00 C ATOM 1031 O ASP A 67 3.550 -1.490 20.120 1.00 0.00 O ATOM 1032 CB ASP A 67 1.430 -0.446 21.888 1.00 0.00 C ATOM 1033 CG ASP A 67 0.934 -1.760 22.441 1.00 0.00 C ATOM 1034 OD1 ASP A 67 -0.286 -1.995 22.412 1.00 0.00 O ATOM 1035 OD2 ASP A 67 1.757 -2.562 22.921 1.00 0.00 O ATOM 0 H ASP A 67 -0.498 -1.152 20.393 1.00 0.00 H new ATOM 0 HA ASP A 67 1.815 0.581 20.047 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.441 -0.265 22.254 1.00 0.00 H new ATOM 0 HB3 ASP A 67 0.803 0.360 22.271 1.00 0.00 H new ATOM 1040 N ASP A 68 1.821 -2.332 18.961 1.00 0.00 N ATOM 1041 CA ASP A 68 2.623 -3.373 18.337 1.00 0.00 C ATOM 1042 C ASP A 68 3.394 -2.831 17.153 1.00 0.00 C ATOM 1043 O ASP A 68 2.884 -2.016 16.387 1.00 0.00 O ATOM 1044 CB ASP A 68 1.761 -4.560 17.915 1.00 0.00 C ATOM 1045 CG ASP A 68 1.293 -5.381 19.090 1.00 0.00 C ATOM 1046 OD1 ASP A 68 2.119 -6.106 19.674 1.00 0.00 O ATOM 1047 OD2 ASP A 68 0.104 -5.318 19.437 1.00 0.00 O ATOM 0 H ASP A 68 0.836 -2.339 18.698 1.00 0.00 H new ATOM 0 HA ASP A 68 3.339 -3.723 19.081 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.895 -4.197 17.361 1.00 0.00 H new ATOM 0 HB3 ASP A 68 2.330 -5.195 17.236 1.00 0.00 H new ATOM 1052 N THR A 69 4.620 -3.282 17.014 1.00 0.00 N ATOM 1053 CA THR A 69 5.488 -2.837 15.949 1.00 0.00 C ATOM 1054 C THR A 69 5.297 -3.689 14.695 1.00 0.00 C ATOM 1055 O THR A 69 4.797 -4.818 14.773 1.00 0.00 O ATOM 1056 CB THR A 69 6.961 -2.913 16.390 1.00 0.00 C ATOM 1057 OG1 THR A 69 7.298 -4.270 16.709 1.00 0.00 O ATOM 1058 CG2 THR A 69 7.209 -2.029 17.604 1.00 0.00 C ATOM 0 H THR A 69 5.044 -3.969 17.638 1.00 0.00 H new ATOM 0 HA THR A 69 5.227 -1.804 15.720 1.00 0.00 H new ATOM 0 HB THR A 69 7.586 -2.560 15.570 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.236 -4.317 16.988 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.256 -2.099 17.897 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.970 -0.995 17.356 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.578 -2.359 18.429 1.00 0.00 H new ATOM 1066 N PRO A 70 5.706 -3.171 13.521 1.00 0.00 N ATOM 1067 CA PRO A 70 5.627 -3.914 12.258 1.00 0.00 C ATOM 1068 C PRO A 70 6.484 -5.172 12.290 1.00 0.00 C ATOM 1069 O PRO A 70 6.205 -6.147 11.595 1.00 0.00 O ATOM 1070 CB PRO A 70 6.196 -2.927 11.225 1.00 0.00 C ATOM 1071 CG PRO A 70 6.973 -1.940 12.022 1.00 0.00 C ATOM 1072 CD PRO A 70 6.245 -1.815 13.321 1.00 0.00 C ATOM 0 HA PRO A 70 4.611 -4.245 12.042 1.00 0.00 H new ATOM 0 HB2 PRO A 70 6.831 -3.437 10.500 1.00 0.00 H new ATOM 0 HB3 PRO A 70 5.399 -2.440 10.663 1.00 0.00 H new ATOM 0 HG2 PRO A 70 7.997 -2.280 12.177 1.00 0.00 H new ATOM 0 HG3 PRO A 70 7.030 -0.979 11.510 1.00 0.00 H new ATOM 0 HD2 PRO A 70 6.911 -1.520 14.132 1.00 0.00 H new ATOM 0 HD3 PRO A 70 5.453 -1.068 13.271 1.00 0.00 H new ATOM 1080 N LYS A 71 7.513 -5.150 13.124 1.00 0.00 N ATOM 1081 CA LYS A 71 8.430 -6.233 13.224 1.00 0.00 C ATOM 1082 C LYS A 71 7.883 -7.337 14.132 1.00 0.00 C ATOM 1083 O LYS A 71 8.070 -8.523 13.856 1.00 0.00 O ATOM 1084 CB LYS A 71 9.803 -5.698 13.687 1.00 0.00 C ATOM 1085 CG LYS A 71 10.662 -6.694 14.424 1.00 0.00 C ATOM 1086 CD LYS A 71 10.464 -6.561 15.917 1.00 0.00 C ATOM 1087 CE LYS A 71 10.366 -7.914 16.563 1.00 0.00 C ATOM 1088 NZ LYS A 71 10.255 -7.829 18.039 1.00 0.00 N ATOM 0 H LYS A 71 7.721 -4.368 13.746 1.00 0.00 H new ATOM 0 HA LYS A 71 8.565 -6.693 12.245 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.351 -5.345 12.814 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.640 -4.834 14.332 1.00 0.00 H new ATOM 0 HG2 LYS A 71 10.410 -7.706 14.106 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.711 -6.534 14.174 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.295 -6.005 16.351 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.558 -5.990 16.119 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.499 -8.441 16.166 1.00 0.00 H new ATOM 0 HE3 LYS A 71 11.245 -8.503 16.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.190 -8.787 18.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.094 -7.350 18.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.402 -7.290 18.293 1.00 0.00 H new ATOM 1102 N THR A 72 7.197 -6.951 15.212 1.00 0.00 N ATOM 1103 CA THR A 72 6.642 -7.937 16.123 1.00 0.00 C ATOM 1104 C THR A 72 5.414 -8.611 15.499 1.00 0.00 C ATOM 1105 O THR A 72 5.164 -9.795 15.726 1.00 0.00 O ATOM 1106 CB THR A 72 6.297 -7.334 17.524 1.00 0.00 C ATOM 1107 OG1 THR A 72 6.170 -8.380 18.497 1.00 0.00 O ATOM 1108 CG2 THR A 72 5.004 -6.536 17.490 1.00 0.00 C ATOM 0 H THR A 72 7.019 -5.980 15.468 1.00 0.00 H new ATOM 0 HA THR A 72 7.412 -8.690 16.289 1.00 0.00 H new ATOM 0 HB THR A 72 7.113 -6.664 17.796 1.00 0.00 H new ATOM 0 HG1 THR A 72 5.955 -7.990 19.370 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.799 -6.133 18.482 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.101 -5.716 16.779 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.183 -7.186 17.185 1.00 0.00 H new ATOM 1116 N LEU A 73 4.657 -7.849 14.702 1.00 0.00 N ATOM 1117 CA LEU A 73 3.503 -8.399 14.012 1.00 0.00 C ATOM 1118 C LEU A 73 3.940 -9.178 12.778 1.00 0.00 C ATOM 1119 O LEU A 73 3.213 -10.026 12.294 1.00 0.00 O ATOM 1120 CB LEU A 73 2.513 -7.298 13.631 1.00 0.00 C ATOM 1121 CG LEU A 73 1.885 -6.535 14.800 1.00 0.00 C ATOM 1122 CD1 LEU A 73 1.005 -5.406 14.288 1.00 0.00 C ATOM 1123 CD2 LEU A 73 1.081 -7.478 15.687 1.00 0.00 C ATOM 0 H LEU A 73 4.827 -6.859 14.525 1.00 0.00 H new ATOM 0 HA LEU A 73 2.997 -9.084 14.693 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.024 -6.582 12.987 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.713 -7.743 13.040 1.00 0.00 H new ATOM 0 HG LEU A 73 2.688 -6.103 15.398 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.567 -4.874 15.133 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.606 -4.715 13.697 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.210 -5.818 13.666 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.643 -6.916 16.512 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.287 -7.941 15.101 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.737 -8.253 16.084 1.00 0.00 H new ATOM 1135 N GLU A 74 5.137 -8.852 12.273 1.00 0.00 N ATOM 1136 CA GLU A 74 5.760 -9.574 11.151 1.00 0.00 C ATOM 1137 C GLU A 74 4.804 -9.700 9.938 1.00 0.00 C ATOM 1138 O GLU A 74 4.839 -10.685 9.203 1.00 0.00 O ATOM 1139 CB GLU A 74 6.214 -10.959 11.648 1.00 0.00 C ATOM 1140 CG GLU A 74 7.188 -11.680 10.734 1.00 0.00 C ATOM 1141 CD GLU A 74 7.675 -12.980 11.332 1.00 0.00 C ATOM 1142 OE1 GLU A 74 8.797 -13.002 11.885 1.00 0.00 O ATOM 1143 OE2 GLU A 74 6.945 -13.990 11.257 1.00 0.00 O ATOM 0 H GLU A 74 5.702 -8.081 12.629 1.00 0.00 H new ATOM 0 HA GLU A 74 6.622 -9.006 10.802 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.676 -10.843 12.628 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.333 -11.587 11.783 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.706 -11.880 9.777 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.041 -11.033 10.532 1.00 0.00 H new ATOM 1150 N MET A 75 3.981 -8.681 9.722 1.00 0.00 N ATOM 1151 CA MET A 75 3.015 -8.698 8.624 1.00 0.00 C ATOM 1152 C MET A 75 3.692 -8.432 7.286 1.00 0.00 C ATOM 1153 O MET A 75 4.764 -7.816 7.225 1.00 0.00 O ATOM 1154 CB MET A 75 1.903 -7.672 8.849 1.00 0.00 C ATOM 1155 CG MET A 75 1.089 -7.910 10.108 1.00 0.00 C ATOM 1156 SD MET A 75 -0.312 -6.779 10.260 1.00 0.00 S ATOM 1157 CE MET A 75 0.530 -5.215 10.511 1.00 0.00 C ATOM 0 H MET A 75 3.961 -7.834 10.289 1.00 0.00 H new ATOM 0 HA MET A 75 2.575 -9.695 8.602 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.345 -6.677 8.897 1.00 0.00 H new ATOM 0 HB3 MET A 75 1.234 -7.682 7.989 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.723 -8.937 10.110 1.00 0.00 H new ATOM 0 HG3 MET A 75 1.735 -7.800 10.979 1.00 0.00 H new ATOM 0 HE1 MET A 75 -0.186 -4.466 10.849 1.00 0.00 H new ATOM 0 HE2 MET A 75 1.309 -5.338 11.264 1.00 0.00 H new ATOM 0 HE3 MET A 75 0.980 -4.890 9.573 1.00 0.00 H new ATOM 1167 N GLU A 76 3.064 -8.894 6.223 1.00 0.00 N ATOM 1168 CA GLU A 76 3.572 -8.716 4.883 1.00 0.00 C ATOM 1169 C GLU A 76 2.416 -8.435 3.946 1.00 0.00 C ATOM 1170 O GLU A 76 1.260 -8.449 4.365 1.00 0.00 O ATOM 1171 CB GLU A 76 4.330 -9.959 4.412 1.00 0.00 C ATOM 1172 CG GLU A 76 3.486 -11.223 4.378 1.00 0.00 C ATOM 1173 CD GLU A 76 4.222 -12.389 3.768 1.00 0.00 C ATOM 1174 OE1 GLU A 76 3.884 -12.775 2.628 1.00 0.00 O ATOM 1175 OE2 GLU A 76 5.155 -12.914 4.411 1.00 0.00 O ATOM 0 H GLU A 76 2.183 -9.406 6.268 1.00 0.00 H new ATOM 0 HA GLU A 76 4.266 -7.876 4.881 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.727 -9.773 3.414 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.184 -10.122 5.070 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.180 -11.480 5.392 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.576 -11.034 3.809 1.00 0.00 H new ATOM 1182 N ASP A 77 2.721 -8.174 2.692 1.00 0.00 N ATOM 1183 CA ASP A 77 1.690 -7.895 1.716 1.00 0.00 C ATOM 1184 C ASP A 77 0.829 -9.122 1.464 1.00 0.00 C ATOM 1185 O ASP A 77 1.334 -10.188 1.088 1.00 0.00 O ATOM 1186 CB ASP A 77 2.289 -7.402 0.408 1.00 0.00 C ATOM 1187 CG ASP A 77 1.226 -7.012 -0.596 1.00 0.00 C ATOM 1188 OD1 ASP A 77 0.542 -5.999 -0.368 1.00 0.00 O ATOM 1189 OD2 ASP A 77 1.076 -7.712 -1.619 1.00 0.00 O ATOM 0 H ASP A 77 3.673 -8.149 2.326 1.00 0.00 H new ATOM 0 HA ASP A 77 1.060 -7.106 2.126 1.00 0.00 H new ATOM 0 HB2 ASP A 77 2.932 -6.544 0.605 1.00 0.00 H new ATOM 0 HB3 ASP A 77 2.920 -8.182 -0.018 1.00 0.00 H new ATOM 1194 N ASP A 78 -0.461 -8.953 1.718 1.00 0.00 N ATOM 1195 CA ASP A 78 -1.490 -9.977 1.504 1.00 0.00 C ATOM 1196 C ASP A 78 -1.350 -11.093 2.538 1.00 0.00 C ATOM 1197 O ASP A 78 -1.604 -12.269 2.262 1.00 0.00 O ATOM 1198 CB ASP A 78 -1.436 -10.501 0.059 1.00 0.00 C ATOM 1199 CG ASP A 78 -2.637 -11.341 -0.341 1.00 0.00 C ATOM 1200 OD1 ASP A 78 -3.751 -10.785 -0.455 1.00 0.00 O ATOM 1201 OD2 ASP A 78 -2.461 -12.560 -0.586 1.00 0.00 O ATOM 0 H ASP A 78 -0.837 -8.080 2.088 1.00 0.00 H new ATOM 0 HA ASP A 78 -2.476 -9.533 1.643 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -1.357 -9.653 -0.621 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -0.532 -11.096 -0.067 1.00 0.00 H new ATOM 1206 N ASP A 79 -0.945 -10.698 3.750 1.00 0.00 N ATOM 1207 CA ASP A 79 -0.785 -11.632 4.857 1.00 0.00 C ATOM 1208 C ASP A 79 -2.150 -12.034 5.399 1.00 0.00 C ATOM 1209 O ASP A 79 -3.175 -11.512 4.971 1.00 0.00 O ATOM 1210 CB ASP A 79 0.048 -11.012 5.976 1.00 0.00 C ATOM 1211 CG ASP A 79 0.832 -12.036 6.774 1.00 0.00 C ATOM 1212 OD1 ASP A 79 1.868 -11.670 7.342 1.00 0.00 O ATOM 1213 OD2 ASP A 79 0.418 -13.219 6.819 1.00 0.00 O ATOM 0 H ASP A 79 -0.722 -9.731 3.984 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.265 -12.515 4.486 1.00 0.00 H new ATOM 0 HB2 ASP A 79 0.740 -10.288 5.546 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -0.611 -10.463 6.649 1.00 0.00 H new ATOM 1218 N VAL A 80 -2.152 -12.927 6.346 1.00 0.00 N ATOM 1219 CA VAL A 80 -3.375 -13.453 6.900 1.00 0.00 C ATOM 1220 C VAL A 80 -3.634 -12.912 8.300 1.00 0.00 C ATOM 1221 O VAL A 80 -2.726 -12.807 9.131 1.00 0.00 O ATOM 1222 CB VAL A 80 -3.347 -14.991 6.928 1.00 0.00 C ATOM 1223 CG1 VAL A 80 -3.346 -15.531 5.512 1.00 0.00 C ATOM 1224 CG2 VAL A 80 -2.120 -15.485 7.671 1.00 0.00 C ATOM 0 H VAL A 80 -1.304 -13.315 6.760 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.189 -13.126 6.253 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.236 -15.348 7.448 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.326 -16.621 5.538 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -4.245 -15.197 4.995 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.466 -15.165 4.983 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.115 -16.575 7.682 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.222 -15.123 7.171 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.140 -15.112 8.695 1.00 0.00 H new ATOM 1234 N ILE A 81 -4.875 -12.584 8.542 1.00 0.00 N ATOM 1235 CA ILE A 81 -5.319 -12.006 9.782 1.00 0.00 C ATOM 1236 C ILE A 81 -6.594 -12.683 10.256 1.00 0.00 C ATOM 1237 O ILE A 81 -7.504 -12.941 9.463 1.00 0.00 O ATOM 1238 CB ILE A 81 -5.505 -10.474 9.627 1.00 0.00 C ATOM 1239 CG1 ILE A 81 -4.150 -9.752 9.743 1.00 0.00 C ATOM 1240 CG2 ILE A 81 -6.537 -9.902 10.577 1.00 0.00 C ATOM 1241 CD1 ILE A 81 -3.453 -9.947 11.072 1.00 0.00 C ATOM 0 H ILE A 81 -5.625 -12.715 7.864 1.00 0.00 H new ATOM 0 HA ILE A 81 -4.557 -12.170 10.544 1.00 0.00 H new ATOM 0 HB ILE A 81 -5.902 -10.298 8.627 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -3.494 -10.104 8.947 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.305 -8.685 9.580 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -6.621 -8.827 10.419 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -7.503 -10.372 10.391 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -6.231 -10.095 11.605 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.507 -9.406 11.070 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -4.086 -9.568 11.874 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -3.263 -11.009 11.231 1.00 0.00 H new ATOM 1253 N GLU A 82 -6.651 -12.973 11.539 1.00 0.00 N ATOM 1254 CA GLU A 82 -7.759 -13.714 12.109 1.00 0.00 C ATOM 1255 C GLU A 82 -8.727 -12.777 12.829 1.00 0.00 C ATOM 1256 O GLU A 82 -8.310 -11.814 13.468 1.00 0.00 O ATOM 1257 CB GLU A 82 -7.212 -14.731 13.098 1.00 0.00 C ATOM 1258 CG GLU A 82 -6.168 -15.664 12.499 1.00 0.00 C ATOM 1259 CD GLU A 82 -6.692 -16.511 11.367 1.00 0.00 C ATOM 1260 OE1 GLU A 82 -7.641 -17.290 11.589 1.00 0.00 O ATOM 1261 OE2 GLU A 82 -6.140 -16.423 10.256 1.00 0.00 O ATOM 0 H GLU A 82 -5.935 -12.704 12.214 1.00 0.00 H new ATOM 0 HA GLU A 82 -8.299 -14.216 11.306 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.772 -14.203 13.944 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.038 -15.326 13.488 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.327 -15.071 12.139 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.785 -16.317 13.283 1.00 0.00 H new ATOM 1268 N VAL A 83 -10.005 -13.057 12.710 1.00 0.00 N ATOM 1269 CA VAL A 83 -11.037 -12.274 13.380 1.00 0.00 C ATOM 1270 C VAL A 83 -11.986 -13.172 14.147 1.00 0.00 C ATOM 1271 O VAL A 83 -12.433 -14.203 13.640 1.00 0.00 O ATOM 1272 CB VAL A 83 -11.861 -11.415 12.388 1.00 0.00 C ATOM 1273 CG1 VAL A 83 -13.024 -10.722 13.091 1.00 0.00 C ATOM 1274 CG2 VAL A 83 -10.988 -10.387 11.751 1.00 0.00 C ATOM 0 H VAL A 83 -10.365 -13.830 12.150 1.00 0.00 H new ATOM 0 HA VAL A 83 -10.515 -11.608 14.067 1.00 0.00 H new ATOM 0 HB VAL A 83 -12.263 -12.082 11.625 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -13.583 -10.127 12.369 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.682 -11.471 13.531 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -12.639 -10.072 13.876 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -11.578 -9.789 11.056 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -10.568 -9.739 12.520 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -10.180 -10.880 11.211 1.00 0.00 H new ATOM 1284 N TYR A 84 -12.281 -12.791 15.360 1.00 0.00 N ATOM 1285 CA TYR A 84 -13.244 -13.513 16.163 1.00 0.00 C ATOM 1286 C TYR A 84 -14.569 -12.796 16.123 1.00 0.00 C ATOM 1287 O TYR A 84 -14.610 -11.579 15.932 1.00 0.00 O ATOM 1288 CB TYR A 84 -12.761 -13.683 17.592 1.00 0.00 C ATOM 1289 CG TYR A 84 -11.648 -14.691 17.739 1.00 0.00 C ATOM 1290 CD1 TYR A 84 -10.337 -14.322 17.559 1.00 0.00 C ATOM 1291 CD2 TYR A 84 -11.918 -16.013 18.064 1.00 0.00 C ATOM 1292 CE1 TYR A 84 -9.307 -15.228 17.694 1.00 0.00 C ATOM 1293 CE2 TYR A 84 -10.895 -16.933 18.202 1.00 0.00 C ATOM 1294 CZ TYR A 84 -9.589 -16.533 18.015 1.00 0.00 C ATOM 1295 OH TYR A 84 -8.563 -17.439 18.150 1.00 0.00 O ATOM 0 H TYR A 84 -11.868 -11.980 15.821 1.00 0.00 H new ATOM 0 HA TYR A 84 -13.365 -14.513 15.746 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -12.418 -12.719 17.968 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -13.601 -13.988 18.216 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -10.108 -13.297 17.306 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -12.941 -16.327 18.211 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -8.284 -14.913 17.548 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -11.118 -17.959 18.455 1.00 0.00 H new ATOM 0 HH TYR A 84 -8.931 -18.318 18.380 1.00 0.00 H new ATOM 1305 N GLN A 85 -15.654 -13.540 16.282 1.00 0.00 N ATOM 1306 CA GLN A 85 -16.976 -12.952 16.181 1.00 0.00 C ATOM 1307 C GLN A 85 -17.255 -12.070 17.394 1.00 0.00 C ATOM 1308 O GLN A 85 -17.700 -12.544 18.438 1.00 0.00 O ATOM 1309 CB GLN A 85 -18.022 -14.062 16.056 1.00 0.00 C ATOM 1310 CG GLN A 85 -19.443 -13.572 15.865 1.00 0.00 C ATOM 1311 CD GLN A 85 -20.418 -14.712 15.667 1.00 0.00 C ATOM 1312 OE1 GLN A 85 -20.222 -15.809 16.187 1.00 0.00 O ATOM 1313 NE2 GLN A 85 -21.465 -14.469 14.908 1.00 0.00 N ATOM 0 H GLN A 85 -15.644 -14.541 16.479 1.00 0.00 H new ATOM 0 HA GLN A 85 -17.027 -12.324 15.291 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -17.756 -14.701 15.214 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -17.983 -14.682 16.951 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -19.743 -12.986 16.733 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -19.484 -12.907 15.002 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -21.592 -13.545 14.495 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -22.150 -15.204 14.733 1.00 0.00 H new ATOM 1322 N GLU A 86 -17.013 -10.777 17.199 1.00 0.00 N ATOM 1323 CA GLU A 86 -17.143 -9.736 18.196 1.00 0.00 C ATOM 1324 C GLU A 86 -17.070 -8.393 17.530 1.00 0.00 C ATOM 1325 O GLU A 86 -16.303 -8.203 16.589 1.00 0.00 O ATOM 1326 CB GLU A 86 -16.068 -9.831 19.273 1.00 0.00 C ATOM 1327 CG GLU A 86 -16.369 -10.848 20.334 1.00 0.00 C ATOM 1328 CD GLU A 86 -15.327 -10.890 21.426 1.00 0.00 C ATOM 1329 OE1 GLU A 86 -15.413 -10.071 22.369 1.00 0.00 O ATOM 1330 OE2 GLU A 86 -14.427 -11.748 21.364 1.00 0.00 O ATOM 0 H GLU A 86 -16.706 -10.416 16.295 1.00 0.00 H new ATOM 0 HA GLU A 86 -18.109 -9.866 18.684 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -15.116 -10.079 18.803 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -15.948 -8.854 19.741 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -17.341 -10.627 20.775 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -16.444 -11.833 19.874 1.00 0.00 H new ATOM 1337 N GLN A 87 -17.872 -7.477 18.031 1.00 0.00 N ATOM 1338 CA GLN A 87 -18.024 -6.187 17.538 1.00 0.00 C ATOM 1339 C GLN A 87 -19.087 -5.485 18.360 1.00 0.00 C ATOM 1340 O GLN A 87 -19.077 -4.277 18.544 1.00 0.00 O ATOM 1341 CB GLN A 87 -18.460 -6.294 16.145 1.00 0.00 C ATOM 1342 CG GLN A 87 -19.735 -7.083 15.909 1.00 0.00 C ATOM 1343 CD GLN A 87 -20.135 -7.118 14.435 1.00 0.00 C ATOM 1344 OE1 GLN A 87 -19.932 -6.156 13.698 1.00 0.00 O ATOM 1345 NE2 GLN A 87 -20.672 -8.234 13.989 1.00 0.00 N ATOM 0 H GLN A 87 -18.459 -7.658 18.846 1.00 0.00 H new ATOM 0 HA GLN A 87 -17.093 -5.623 17.595 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -18.600 -5.288 15.750 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -17.658 -6.755 15.568 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -19.600 -8.103 16.270 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -20.544 -6.643 16.492 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -20.828 -9.015 14.626 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -20.932 -8.318 13.006 1.00 0.00 H new ATOM 1354 N LEU A 88 -19.983 -6.298 18.844 1.00 0.00 N ATOM 1355 CA LEU A 88 -21.109 -5.927 19.640 1.00 0.00 C ATOM 1356 C LEU A 88 -21.811 -7.220 19.883 1.00 0.00 C ATOM 1357 O LEU A 88 -22.335 -7.492 20.961 1.00 0.00 O ATOM 1358 CB LEU A 88 -22.027 -4.955 18.885 1.00 0.00 C ATOM 1359 CG LEU A 88 -23.241 -4.449 19.657 1.00 0.00 C ATOM 1360 CD1 LEU A 88 -22.802 -3.660 20.880 1.00 0.00 C ATOM 1361 CD2 LEU A 88 -24.128 -3.602 18.760 1.00 0.00 C ATOM 0 H LEU A 88 -19.939 -7.304 18.679 1.00 0.00 H new ATOM 0 HA LEU A 88 -20.819 -5.416 20.558 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -21.435 -4.095 18.573 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -22.377 -5.447 17.978 1.00 0.00 H new ATOM 0 HG LEU A 88 -23.820 -5.309 19.994 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -23.681 -3.306 21.419 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -22.209 -4.301 21.533 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -22.201 -2.807 20.566 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -24.989 -3.250 19.328 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -23.562 -2.747 18.391 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -24.470 -4.201 17.916 1.00 0.00 H new