USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 676 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 80 ASN : amide:sc= -5.34! K(o=-5.8!,f=-3.2) USER MOD Set 1.2: A 83 MET CE :methyl 139:sc= -0.419 (180deg=-2.73!) USER MOD Set 2.1: A 49 ASN : amide:sc= 0.711 K(o=1.6,f=-2!) USER MOD Set 2.2: A 50 SER OG : rot 89:sc= 0.887 USER MOD Single : A 14 LYS NZ :NH3+ 150:sc= -0.799 (180deg=-1.86!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.063 USER MOD Single : A 17 GLN : amide:sc= -0.279 X(o=-0.28,f=-0.0041) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.514 K(o=-0.51,f=-1.1) USER MOD Single : A 23 LYS NZ :NH3+ -142:sc= -2.4! (180deg=-4.09!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 130:sc= -0.815 USER MOD Single : A 30 THR OG1 : rot 42:sc= 0.0299 USER MOD Single : A 31 TYR OH : rot 171:sc= 0.536 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 46:sc= 0.0345 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -169:sc= 0.384 (180deg=0.331) USER MOD Single : A 54 THR OG1 : rot 60:sc= 0.307 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -136:sc= -0.807 (180deg=-2.87!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -13.7! C(o=-14!,f=-8.5!) USER MOD Single : A 73 ASN : amide:sc= -0.212 X(o=-0.21,f=-0.6) USER MOD Single : A 81 SER OG : rot 180:sc= -0.151 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.0861 X(o=-0.086,f=-0.086) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 159 N LYS A 14 -18.518 -4.065 -13.685 1.00 0.00 N ATOM 160 CA LYS A 14 -17.416 -3.117 -13.576 1.00 0.00 C ATOM 161 C LYS A 14 -16.236 -3.553 -14.438 1.00 0.00 C ATOM 162 O LYS A 14 -16.215 -4.667 -14.962 1.00 0.00 O ATOM 163 CB LYS A 14 -16.975 -2.982 -12.117 1.00 0.00 C ATOM 164 CG LYS A 14 -17.968 -2.231 -11.248 1.00 0.00 C ATOM 165 CD LYS A 14 -17.526 -2.200 -9.795 1.00 0.00 C ATOM 166 CE LYS A 14 -17.887 -3.491 -9.075 1.00 0.00 C ATOM 167 NZ LYS A 14 -16.821 -4.521 -9.216 1.00 0.00 N ATOM 0 HA LYS A 14 -17.765 -2.149 -13.934 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -16.820 -3.977 -11.700 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -16.014 -2.469 -12.083 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -18.078 -1.211 -11.618 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -18.947 -2.704 -11.321 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -16.449 -2.043 -9.745 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -17.995 -1.356 -9.289 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -18.054 -3.283 -8.018 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -18.823 -3.880 -9.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -16.818 -5.135 -8.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -17.003 -5.095 -10.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -15.896 -4.054 -9.306 1.00 0.00 H new ATOM 181 N VAL A 15 -15.253 -2.669 -14.579 1.00 0.00 N ATOM 182 CA VAL A 15 -14.068 -2.965 -15.375 1.00 0.00 C ATOM 183 C VAL A 15 -12.793 -2.633 -14.606 1.00 0.00 C ATOM 184 O VAL A 15 -12.779 -1.737 -13.761 1.00 0.00 O ATOM 185 CB VAL A 15 -14.072 -2.182 -16.701 1.00 0.00 C ATOM 186 CG1 VAL A 15 -15.142 -2.724 -17.637 1.00 0.00 C ATOM 187 CG2 VAL A 15 -14.281 -0.697 -16.443 1.00 0.00 C ATOM 0 H VAL A 15 -15.254 -1.742 -14.152 1.00 0.00 H new ATOM 0 HA VAL A 15 -14.091 -4.033 -15.592 1.00 0.00 H new ATOM 0 HB VAL A 15 -13.102 -2.311 -17.182 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -15.130 -2.159 -18.569 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -14.943 -3.775 -17.847 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -16.120 -2.627 -17.166 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -14.281 -0.159 -17.391 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -15.236 -0.546 -15.940 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -13.476 -0.320 -15.812 1.00 0.00 H new ATOM 197 N THR A 16 -11.722 -3.361 -14.905 1.00 0.00 N ATOM 198 CA THR A 16 -10.442 -3.145 -14.243 1.00 0.00 C ATOM 199 C THR A 16 -9.666 -2.011 -14.902 1.00 0.00 C ATOM 200 O THR A 16 -9.324 -2.085 -16.082 1.00 0.00 O ATOM 201 CB THR A 16 -9.578 -4.421 -14.260 1.00 0.00 C ATOM 202 OG1 THR A 16 -9.845 -5.177 -15.446 1.00 0.00 O ATOM 203 CG2 THR A 16 -9.854 -5.277 -13.033 1.00 0.00 C ATOM 0 H THR A 16 -11.716 -4.106 -15.602 1.00 0.00 H new ATOM 0 HA THR A 16 -10.662 -2.878 -13.209 1.00 0.00 H new ATOM 0 HB THR A 16 -8.529 -4.124 -14.248 1.00 0.00 H new ATOM 0 HG1 THR A 16 -9.291 -5.985 -15.450 1.00 0.00 H new ATOM 0 HG21 THR A 16 -9.233 -6.172 -13.067 1.00 0.00 H new ATOM 0 HG22 THR A 16 -9.622 -4.708 -12.133 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.905 -5.565 -13.019 1.00 0.00 H new ATOM 211 N GLN A 17 -9.391 -0.963 -14.132 1.00 0.00 N ATOM 212 CA GLN A 17 -8.654 0.187 -14.643 1.00 0.00 C ATOM 213 C GLN A 17 -7.218 0.186 -14.130 1.00 0.00 C ATOM 214 O GLN A 17 -6.975 -0.014 -12.940 1.00 0.00 O ATOM 215 CB GLN A 17 -9.352 1.487 -14.239 1.00 0.00 C ATOM 216 CG GLN A 17 -8.576 2.738 -14.619 1.00 0.00 C ATOM 217 CD GLN A 17 -9.241 4.009 -14.128 1.00 0.00 C ATOM 218 OE1 GLN A 17 -9.586 4.888 -14.919 1.00 0.00 O ATOM 219 NE2 GLN A 17 -9.425 4.113 -12.817 1.00 0.00 N ATOM 0 H GLN A 17 -9.667 -0.886 -13.153 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.631 0.118 -15.731 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -10.335 1.523 -14.708 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.513 1.483 -13.161 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.569 2.676 -14.206 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.473 2.782 -15.703 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.124 3.360 -12.198 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -9.868 4.946 -12.429 1.00 0.00 H new ATOM 228 N SER A 18 -6.271 0.411 -15.035 1.00 0.00 N ATOM 229 CA SER A 18 -4.858 0.432 -14.673 1.00 0.00 C ATOM 230 C SER A 18 -4.416 1.841 -14.291 1.00 0.00 C ATOM 231 O SER A 18 -4.676 2.802 -15.015 1.00 0.00 O ATOM 232 CB SER A 18 -4.006 -0.085 -15.834 1.00 0.00 C ATOM 233 OG SER A 18 -2.628 -0.057 -15.507 1.00 0.00 O ATOM 0 H SER A 18 -6.456 0.581 -16.024 1.00 0.00 H new ATOM 0 HA SER A 18 -4.719 -0.220 -13.810 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.303 -1.104 -16.082 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.185 0.524 -16.720 1.00 0.00 H new ATOM 0 HG SER A 18 -2.105 -0.394 -16.264 1.00 0.00 H new ATOM 239 N ILE A 19 -3.747 1.954 -13.149 1.00 0.00 N ATOM 240 CA ILE A 19 -3.267 3.245 -12.670 1.00 0.00 C ATOM 241 C ILE A 19 -1.743 3.285 -12.630 1.00 0.00 C ATOM 242 O ILE A 19 -1.101 2.371 -12.113 1.00 0.00 O ATOM 243 CB ILE A 19 -3.814 3.563 -11.266 1.00 0.00 C ATOM 244 CG1 ILE A 19 -5.329 3.350 -11.225 1.00 0.00 C ATOM 245 CG2 ILE A 19 -3.463 4.990 -10.872 1.00 0.00 C ATOM 246 CD1 ILE A 19 -6.121 4.559 -11.671 1.00 0.00 C ATOM 0 H ILE A 19 -3.525 1.168 -12.538 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.630 3.996 -13.372 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.351 2.885 -10.549 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.586 2.503 -11.861 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.624 3.087 -10.209 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.856 5.200 -9.877 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.380 5.110 -10.867 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.901 5.684 -11.589 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.187 4.336 -11.616 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.893 5.403 -11.021 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.855 4.810 -12.698 1.00 0.00 H new ATOM 258 N HIS A 20 -1.170 4.351 -13.180 1.00 0.00 N ATOM 259 CA HIS A 20 0.279 4.512 -13.205 1.00 0.00 C ATOM 260 C HIS A 20 0.680 5.905 -12.728 1.00 0.00 C ATOM 261 O HIS A 20 0.421 6.901 -13.404 1.00 0.00 O ATOM 262 CB HIS A 20 0.815 4.270 -14.617 1.00 0.00 C ATOM 263 CG HIS A 20 0.198 5.159 -15.652 1.00 0.00 C ATOM 264 ND1 HIS A 20 0.793 6.320 -16.098 1.00 0.00 N ATOM 265 CD2 HIS A 20 -0.967 5.050 -16.331 1.00 0.00 C ATOM 266 CE1 HIS A 20 0.019 6.888 -17.006 1.00 0.00 C ATOM 267 NE2 HIS A 20 -1.056 6.137 -17.166 1.00 0.00 N ATOM 0 H HIS A 20 -1.687 5.116 -13.614 1.00 0.00 H new ATOM 0 HA HIS A 20 0.713 3.777 -12.528 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.895 4.420 -14.618 1.00 0.00 H new ATOM 0 HB3 HIS A 20 0.638 3.230 -14.891 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.692 4.256 -16.234 1.00 0.00 H new ATOM 0 HE1 HIS A 20 0.229 7.809 -17.528 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -1.826 6.332 -17.805 1.00 0.00 H new ATOM 276 N ILE A 21 1.310 5.965 -11.560 1.00 0.00 N ATOM 277 CA ILE A 21 1.746 7.236 -10.993 1.00 0.00 C ATOM 278 C ILE A 21 3.256 7.407 -11.124 1.00 0.00 C ATOM 279 O ILE A 21 4.013 6.447 -10.991 1.00 0.00 O ATOM 280 CB ILE A 21 1.355 7.353 -9.508 1.00 0.00 C ATOM 281 CG1 ILE A 21 -0.125 7.011 -9.319 1.00 0.00 C ATOM 282 CG2 ILE A 21 1.651 8.753 -8.992 1.00 0.00 C ATOM 283 CD1 ILE A 21 -0.520 6.818 -7.872 1.00 0.00 C ATOM 0 H ILE A 21 1.530 5.150 -10.988 1.00 0.00 H new ATOM 0 HA ILE A 21 1.243 8.022 -11.556 1.00 0.00 H new ATOM 0 HB ILE A 21 1.949 6.642 -8.934 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.732 7.808 -9.750 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.353 6.101 -9.874 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.369 8.821 -7.941 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.716 8.962 -9.097 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.080 9.481 -9.568 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.582 6.578 -7.814 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.061 6.002 -7.442 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.324 7.735 -7.316 1.00 0.00 H new ATOM 295 N GLU A 22 3.685 8.638 -11.385 1.00 0.00 N ATOM 296 CA GLU A 22 5.105 8.935 -11.533 1.00 0.00 C ATOM 297 C GLU A 22 5.411 10.364 -11.093 1.00 0.00 C ATOM 298 O GLU A 22 4.854 11.323 -11.626 1.00 0.00 O ATOM 299 CB GLU A 22 5.543 8.733 -12.986 1.00 0.00 C ATOM 300 CG GLU A 22 5.716 7.274 -13.371 1.00 0.00 C ATOM 301 CD GLU A 22 4.398 6.591 -13.682 1.00 0.00 C ATOM 302 OE1 GLU A 22 3.417 7.305 -13.979 1.00 0.00 O ATOM 303 OE2 GLU A 22 4.347 5.345 -13.629 1.00 0.00 O ATOM 0 H GLU A 22 3.071 9.444 -11.498 1.00 0.00 H new ATOM 0 HA GLU A 22 5.661 8.249 -10.894 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.805 9.189 -13.646 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.484 9.257 -13.149 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.369 7.207 -14.241 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.212 6.744 -12.558 1.00 0.00 H new ATOM 310 N LYS A 23 6.300 10.498 -10.115 1.00 0.00 N ATOM 311 CA LYS A 23 6.682 11.808 -9.601 1.00 0.00 C ATOM 312 C LYS A 23 7.969 12.295 -10.258 1.00 0.00 C ATOM 313 O LYS A 23 8.674 11.527 -10.912 1.00 0.00 O ATOM 314 CB LYS A 23 6.863 11.750 -8.082 1.00 0.00 C ATOM 315 CG LYS A 23 5.806 10.918 -7.376 1.00 0.00 C ATOM 316 CD LYS A 23 5.590 11.389 -5.947 1.00 0.00 C ATOM 317 CE LYS A 23 4.555 12.502 -5.878 1.00 0.00 C ATOM 318 NZ LYS A 23 5.058 13.766 -6.483 1.00 0.00 N ATOM 0 H LYS A 23 6.770 9.714 -9.662 1.00 0.00 H new ATOM 0 HA LYS A 23 5.884 12.511 -9.839 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.847 11.339 -7.857 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.842 12.764 -7.683 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.867 10.978 -7.926 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.108 9.871 -7.373 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.266 10.550 -5.331 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.534 11.742 -5.532 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.649 12.187 -6.395 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.283 12.681 -4.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.723 14.576 -5.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.098 13.757 -6.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.705 13.849 -7.458 1.00 0.00 H new ATOM 332 N SER A 24 8.271 13.578 -10.079 1.00 0.00 N ATOM 333 CA SER A 24 9.473 14.168 -10.657 1.00 0.00 C ATOM 334 C SER A 24 10.652 14.050 -9.696 1.00 0.00 C ATOM 335 O SER A 24 11.635 13.366 -9.983 1.00 0.00 O ATOM 336 CB SER A 24 9.228 15.638 -11.004 1.00 0.00 C ATOM 337 OG SER A 24 10.366 16.212 -11.623 1.00 0.00 O ATOM 0 H SER A 24 7.700 14.228 -9.539 1.00 0.00 H new ATOM 0 HA SER A 24 9.714 13.622 -11.569 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.368 15.720 -11.669 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.984 16.193 -10.098 1.00 0.00 H new ATOM 0 HG SER A 24 10.184 17.151 -11.836 1.00 0.00 H new ATOM 343 N ASP A 25 10.546 14.722 -8.554 1.00 0.00 N ATOM 344 CA ASP A 25 11.603 14.693 -7.549 1.00 0.00 C ATOM 345 C ASP A 25 11.137 13.963 -6.293 1.00 0.00 C ATOM 346 O ASP A 25 10.479 14.546 -5.431 1.00 0.00 O ATOM 347 CB ASP A 25 12.039 16.115 -7.196 1.00 0.00 C ATOM 348 CG ASP A 25 13.492 16.186 -6.768 1.00 0.00 C ATOM 349 OD1 ASP A 25 14.026 15.155 -6.309 1.00 0.00 O ATOM 350 OD2 ASP A 25 14.094 17.272 -6.894 1.00 0.00 O ATOM 0 H ASP A 25 9.739 15.293 -8.301 1.00 0.00 H new ATOM 0 HA ASP A 25 12.454 14.154 -7.966 1.00 0.00 H new ATOM 0 HB2 ASP A 25 11.885 16.764 -8.058 1.00 0.00 H new ATOM 0 HB3 ASP A 25 11.408 16.497 -6.393 1.00 0.00 H new ATOM 355 N THR A 26 11.483 12.683 -6.196 1.00 0.00 N ATOM 356 CA THR A 26 11.100 11.873 -5.047 1.00 0.00 C ATOM 357 C THR A 26 11.643 12.464 -3.751 1.00 0.00 C ATOM 358 O THR A 26 10.922 12.582 -2.761 1.00 0.00 O ATOM 359 CB THR A 26 11.603 10.424 -5.188 1.00 0.00 C ATOM 360 OG1 THR A 26 11.525 10.009 -6.556 1.00 0.00 O ATOM 361 CG2 THR A 26 10.786 9.480 -4.319 1.00 0.00 C ATOM 0 H THR A 26 12.028 12.185 -6.900 1.00 0.00 H new ATOM 0 HA THR A 26 10.011 11.870 -5.013 1.00 0.00 H new ATOM 0 HB THR A 26 12.641 10.390 -4.857 1.00 0.00 H new ATOM 0 HG1 THR A 26 12.383 9.623 -6.830 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.160 8.463 -4.436 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.872 9.781 -3.275 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.740 9.519 -4.623 1.00 0.00 H new ATOM 369 N ALA A 27 12.919 12.835 -3.765 1.00 0.00 N ATOM 370 CA ALA A 27 13.558 13.416 -2.591 1.00 0.00 C ATOM 371 C ALA A 27 12.605 14.350 -1.853 1.00 0.00 C ATOM 372 O ALA A 27 12.516 14.318 -0.626 1.00 0.00 O ATOM 373 CB ALA A 27 14.823 14.161 -2.993 1.00 0.00 C ATOM 0 H ALA A 27 13.530 12.744 -4.576 1.00 0.00 H new ATOM 0 HA ALA A 27 13.826 12.604 -1.915 1.00 0.00 H new ATOM 0 HB1 ALA A 27 15.290 14.590 -2.106 1.00 0.00 H new ATOM 0 HB2 ALA A 27 15.517 13.469 -3.470 1.00 0.00 H new ATOM 0 HB3 ALA A 27 14.569 14.959 -3.691 1.00 0.00 H new ATOM 379 N ALA A 28 11.895 15.181 -2.609 1.00 0.00 N ATOM 380 CA ALA A 28 10.947 16.123 -2.026 1.00 0.00 C ATOM 381 C ALA A 28 9.509 15.696 -2.302 1.00 0.00 C ATOM 382 O ALA A 28 8.760 15.372 -1.381 1.00 0.00 O ATOM 383 CB ALA A 28 11.197 17.524 -2.564 1.00 0.00 C ATOM 0 H ALA A 28 11.958 15.221 -3.626 1.00 0.00 H new ATOM 0 HA ALA A 28 11.095 16.129 -0.946 1.00 0.00 H new ATOM 0 HB1 ALA A 28 10.482 18.217 -2.120 1.00 0.00 H new ATOM 0 HB2 ALA A 28 12.210 17.836 -2.310 1.00 0.00 H new ATOM 0 HB3 ALA A 28 11.078 17.524 -3.647 1.00 0.00 H new ATOM 389 N ASP A 29 9.130 15.700 -3.575 1.00 0.00 N ATOM 390 CA ASP A 29 7.782 15.313 -3.973 1.00 0.00 C ATOM 391 C ASP A 29 7.503 13.859 -3.607 1.00 0.00 C ATOM 392 O ASP A 29 8.255 12.958 -3.981 1.00 0.00 O ATOM 393 CB ASP A 29 7.591 15.519 -5.476 1.00 0.00 C ATOM 394 CG ASP A 29 8.404 16.683 -6.009 1.00 0.00 C ATOM 395 OD1 ASP A 29 8.536 17.694 -5.288 1.00 0.00 O ATOM 396 OD2 ASP A 29 8.909 16.582 -7.146 1.00 0.00 O ATOM 0 H ASP A 29 9.738 15.967 -4.349 1.00 0.00 H new ATOM 0 HA ASP A 29 7.076 15.946 -3.435 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.876 14.609 -6.004 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.535 15.691 -5.685 1.00 0.00 H new ATOM 401 N THR A 30 6.418 13.636 -2.871 1.00 0.00 N ATOM 402 CA THR A 30 6.042 12.292 -2.452 1.00 0.00 C ATOM 403 C THR A 30 4.528 12.156 -2.335 1.00 0.00 C ATOM 404 O THR A 30 3.864 13.001 -1.733 1.00 0.00 O ATOM 405 CB THR A 30 6.685 11.923 -1.102 1.00 0.00 C ATOM 406 OG1 THR A 30 6.322 12.887 -0.107 1.00 0.00 O ATOM 407 CG2 THR A 30 8.200 11.859 -1.224 1.00 0.00 C ATOM 0 H THR A 30 5.785 14.370 -2.553 1.00 0.00 H new ATOM 0 HA THR A 30 6.408 11.609 -3.218 1.00 0.00 H new ATOM 0 HB THR A 30 6.318 10.940 -0.806 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.375 13.118 -0.205 1.00 0.00 H new ATOM 0 HG21 THR A 30 8.632 11.597 -0.258 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.474 11.104 -1.961 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.581 12.830 -1.540 1.00 0.00 H new ATOM 415 N TYR A 31 3.988 11.089 -2.912 1.00 0.00 N ATOM 416 CA TYR A 31 2.551 10.844 -2.873 1.00 0.00 C ATOM 417 C TYR A 31 1.986 11.134 -1.486 1.00 0.00 C ATOM 418 O TYR A 31 2.724 11.199 -0.504 1.00 0.00 O ATOM 419 CB TYR A 31 2.248 9.397 -3.267 1.00 0.00 C ATOM 420 CG TYR A 31 3.171 8.854 -4.334 1.00 0.00 C ATOM 421 CD1 TYR A 31 3.131 9.348 -5.632 1.00 0.00 C ATOM 422 CD2 TYR A 31 4.085 7.849 -4.044 1.00 0.00 C ATOM 423 CE1 TYR A 31 3.972 8.854 -6.610 1.00 0.00 C ATOM 424 CE2 TYR A 31 4.931 7.350 -5.015 1.00 0.00 C ATOM 425 CZ TYR A 31 4.870 7.855 -6.297 1.00 0.00 C ATOM 426 OH TYR A 31 5.711 7.362 -7.269 1.00 0.00 O ATOM 0 H TYR A 31 4.523 10.380 -3.412 1.00 0.00 H new ATOM 0 HA TYR A 31 2.074 11.516 -3.587 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.319 8.766 -2.381 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.219 9.334 -3.622 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.430 10.132 -5.880 1.00 0.00 H new ATOM 0 HD2 TYR A 31 4.135 7.451 -3.041 1.00 0.00 H new ATOM 0 HE1 TYR A 31 3.927 9.248 -7.615 1.00 0.00 H new ATOM 0 HE2 TYR A 31 5.636 6.569 -4.772 1.00 0.00 H new ATOM 0 HH TYR A 31 6.376 6.771 -6.857 1.00 0.00 H new ATOM 436 N GLY A 32 0.670 11.308 -1.414 1.00 0.00 N ATOM 437 CA GLY A 32 0.026 11.588 -0.144 1.00 0.00 C ATOM 438 C GLY A 32 -1.184 10.709 0.100 1.00 0.00 C ATOM 439 O GLY A 32 -2.084 11.075 0.856 1.00 0.00 O ATOM 0 H GLY A 32 0.038 11.260 -2.213 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.744 11.444 0.663 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.278 12.634 -0.117 1.00 0.00 H new ATOM 443 N PHE A 33 -1.208 9.546 -0.543 1.00 0.00 N ATOM 444 CA PHE A 33 -2.318 8.613 -0.395 1.00 0.00 C ATOM 445 C PHE A 33 -1.906 7.406 0.444 1.00 0.00 C ATOM 446 O PHE A 33 -0.830 6.841 0.251 1.00 0.00 O ATOM 447 CB PHE A 33 -2.810 8.150 -1.768 1.00 0.00 C ATOM 448 CG PHE A 33 -2.079 6.947 -2.292 1.00 0.00 C ATOM 449 CD1 PHE A 33 -0.772 7.055 -2.739 1.00 0.00 C ATOM 450 CD2 PHE A 33 -2.698 5.709 -2.337 1.00 0.00 C ATOM 451 CE1 PHE A 33 -0.097 5.950 -3.223 1.00 0.00 C ATOM 452 CE2 PHE A 33 -2.028 4.600 -2.820 1.00 0.00 C ATOM 453 CZ PHE A 33 -0.726 4.721 -3.262 1.00 0.00 C ATOM 0 H PHE A 33 -0.471 9.228 -1.172 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.129 9.130 0.118 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.874 7.920 -1.705 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.702 8.969 -2.479 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.275 8.013 -2.709 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.716 5.609 -1.991 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.921 6.048 -3.570 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -2.523 3.641 -2.851 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.200 3.856 -3.638 1.00 0.00 H new ATOM 463 N SER A 34 -2.771 7.018 1.376 1.00 0.00 N ATOM 464 CA SER A 34 -2.496 5.882 2.247 1.00 0.00 C ATOM 465 C SER A 34 -3.331 4.671 1.841 1.00 0.00 C ATOM 466 O SER A 34 -4.256 4.782 1.035 1.00 0.00 O ATOM 467 CB SER A 34 -2.785 6.248 3.704 1.00 0.00 C ATOM 468 OG SER A 34 -1.747 7.048 4.244 1.00 0.00 O ATOM 0 H SER A 34 -3.667 7.474 1.547 1.00 0.00 H new ATOM 0 HA SER A 34 -1.441 5.625 2.146 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.732 6.784 3.767 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.894 5.339 4.296 1.00 0.00 H new ATOM 0 HG SER A 34 -1.956 7.270 5.175 1.00 0.00 H new ATOM 474 N LEU A 35 -2.998 3.515 2.405 1.00 0.00 N ATOM 475 CA LEU A 35 -3.716 2.282 2.102 1.00 0.00 C ATOM 476 C LEU A 35 -3.954 1.466 3.369 1.00 0.00 C ATOM 477 O LEU A 35 -3.049 1.288 4.184 1.00 0.00 O ATOM 478 CB LEU A 35 -2.934 1.449 1.085 1.00 0.00 C ATOM 479 CG LEU A 35 -2.667 2.115 -0.265 1.00 0.00 C ATOM 480 CD1 LEU A 35 -1.428 1.524 -0.917 1.00 0.00 C ATOM 481 CD2 LEU A 35 -3.875 1.969 -1.179 1.00 0.00 C ATOM 0 H LEU A 35 -2.236 3.406 3.074 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.683 2.549 1.676 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.976 1.176 1.529 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.479 0.522 0.909 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.490 3.177 -0.096 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.255 2.011 -1.877 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.566 1.681 -0.269 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.574 0.455 -1.073 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.668 2.449 -2.136 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.083 0.911 -1.341 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.741 2.442 -0.716 1.00 0.00 H new ATOM 493 N SER A 36 -5.178 0.970 3.526 1.00 0.00 N ATOM 494 CA SER A 36 -5.536 0.174 4.694 1.00 0.00 C ATOM 495 C SER A 36 -5.586 -1.310 4.346 1.00 0.00 C ATOM 496 O SER A 36 -6.176 -1.703 3.339 1.00 0.00 O ATOM 497 CB SER A 36 -6.888 0.625 5.250 1.00 0.00 C ATOM 498 OG SER A 36 -7.453 -0.371 6.085 1.00 0.00 O ATOM 0 H SER A 36 -5.938 1.106 2.859 1.00 0.00 H new ATOM 0 HA SER A 36 -4.770 0.325 5.454 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.763 1.549 5.814 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.569 0.844 4.427 1.00 0.00 H new ATOM 0 HG SER A 36 -8.316 -0.059 6.429 1.00 0.00 H new ATOM 504 N SER A 37 -4.961 -2.130 5.185 1.00 0.00 N ATOM 505 CA SER A 37 -4.930 -3.571 4.964 1.00 0.00 C ATOM 506 C SER A 37 -6.026 -4.267 5.766 1.00 0.00 C ATOM 507 O SER A 37 -6.127 -4.095 6.981 1.00 0.00 O ATOM 508 CB SER A 37 -3.562 -4.138 5.350 1.00 0.00 C ATOM 509 OG SER A 37 -3.127 -3.619 6.595 1.00 0.00 O ATOM 0 H SER A 37 -4.469 -1.821 6.024 1.00 0.00 H new ATOM 0 HA SER A 37 -5.106 -3.755 3.904 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.618 -5.225 5.405 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.833 -3.895 4.577 1.00 0.00 H new ATOM 0 HG SER A 37 -3.866 -3.649 7.238 1.00 0.00 H new ATOM 515 N VAL A 38 -6.845 -5.055 5.077 1.00 0.00 N ATOM 516 CA VAL A 38 -7.934 -5.778 5.723 1.00 0.00 C ATOM 517 C VAL A 38 -7.913 -7.255 5.344 1.00 0.00 C ATOM 518 O VAL A 38 -7.995 -7.604 4.167 1.00 0.00 O ATOM 519 CB VAL A 38 -9.304 -5.182 5.349 1.00 0.00 C ATOM 520 CG1 VAL A 38 -10.395 -5.751 6.243 1.00 0.00 C ATOM 521 CG2 VAL A 38 -9.267 -3.664 5.439 1.00 0.00 C ATOM 0 H VAL A 38 -6.775 -5.209 4.071 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.786 -5.679 6.798 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.532 -5.456 4.319 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -11.356 -5.319 5.964 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -10.436 -6.834 6.123 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.176 -5.509 7.283 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.243 -3.260 5.171 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.018 -3.366 6.457 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -8.514 -3.277 4.753 1.00 0.00 H new ATOM 531 N GLU A 39 -7.804 -8.117 6.350 1.00 0.00 N ATOM 532 CA GLU A 39 -7.773 -9.557 6.121 1.00 0.00 C ATOM 533 C GLU A 39 -9.103 -10.198 6.507 1.00 0.00 C ATOM 534 O GLU A 39 -9.557 -10.072 7.644 1.00 0.00 O ATOM 535 CB GLU A 39 -6.635 -10.197 6.919 1.00 0.00 C ATOM 536 CG GLU A 39 -6.085 -11.464 6.284 1.00 0.00 C ATOM 537 CD GLU A 39 -5.541 -12.441 7.309 1.00 0.00 C ATOM 538 OE1 GLU A 39 -6.338 -12.960 8.117 1.00 0.00 O ATOM 539 OE2 GLU A 39 -4.316 -12.686 7.301 1.00 0.00 O ATOM 0 H GLU A 39 -7.736 -7.844 7.330 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.603 -9.727 5.058 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.826 -9.474 7.027 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.992 -10.429 7.923 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.873 -11.949 5.708 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.293 -11.200 5.583 1.00 0.00 H new ATOM 546 N GLU A 40 -9.721 -10.885 5.552 1.00 0.00 N ATOM 547 CA GLU A 40 -10.999 -11.545 5.791 1.00 0.00 C ATOM 548 C GLU A 40 -10.996 -12.960 5.221 1.00 0.00 C ATOM 549 O GLU A 40 -10.861 -13.154 4.013 1.00 0.00 O ATOM 550 CB GLU A 40 -12.140 -10.736 5.171 1.00 0.00 C ATOM 551 CG GLU A 40 -12.619 -9.590 6.046 1.00 0.00 C ATOM 552 CD GLU A 40 -13.500 -10.057 7.188 1.00 0.00 C ATOM 553 OE1 GLU A 40 -12.971 -10.692 8.125 1.00 0.00 O ATOM 554 OE2 GLU A 40 -14.718 -9.787 7.146 1.00 0.00 O ATOM 0 H GLU A 40 -9.358 -10.999 4.606 1.00 0.00 H new ATOM 0 HA GLU A 40 -11.151 -11.607 6.869 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.811 -10.337 4.212 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.978 -11.402 4.969 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.756 -9.061 6.451 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.171 -8.877 5.434 1.00 0.00 H new ATOM 561 N ASP A 41 -11.145 -13.946 6.099 1.00 0.00 N ATOM 562 CA ASP A 41 -11.160 -15.344 5.684 1.00 0.00 C ATOM 563 C ASP A 41 -9.870 -15.709 4.958 1.00 0.00 C ATOM 564 O ASP A 41 -9.857 -16.587 4.096 1.00 0.00 O ATOM 565 CB ASP A 41 -12.364 -15.617 4.780 1.00 0.00 C ATOM 566 CG ASP A 41 -13.683 -15.473 5.514 1.00 0.00 C ATOM 567 OD1 ASP A 41 -13.850 -16.124 6.566 1.00 0.00 O ATOM 568 OD2 ASP A 41 -14.548 -14.711 5.035 1.00 0.00 O ATOM 0 H ASP A 41 -11.257 -13.803 7.103 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.240 -15.962 6.578 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -12.344 -14.928 3.936 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -12.287 -16.625 4.371 1.00 0.00 H new ATOM 573 N GLY A 42 -8.784 -15.028 5.312 1.00 0.00 N ATOM 574 CA GLY A 42 -7.503 -15.294 4.683 1.00 0.00 C ATOM 575 C GLY A 42 -7.263 -14.425 3.465 1.00 0.00 C ATOM 576 O GLY A 42 -6.150 -14.371 2.942 1.00 0.00 O ATOM 0 H GLY A 42 -8.768 -14.297 6.023 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.705 -15.128 5.407 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.456 -16.343 4.392 1.00 0.00 H new ATOM 580 N ILE A 43 -8.310 -13.743 3.011 1.00 0.00 N ATOM 581 CA ILE A 43 -8.207 -12.873 1.847 1.00 0.00 C ATOM 582 C ILE A 43 -7.813 -11.456 2.252 1.00 0.00 C ATOM 583 O ILE A 43 -8.638 -10.690 2.750 1.00 0.00 O ATOM 584 CB ILE A 43 -9.532 -12.821 1.064 1.00 0.00 C ATOM 585 CG1 ILE A 43 -9.949 -14.228 0.630 1.00 0.00 C ATOM 586 CG2 ILE A 43 -9.398 -11.906 -0.144 1.00 0.00 C ATOM 587 CD1 ILE A 43 -11.385 -14.315 0.161 1.00 0.00 C ATOM 0 H ILE A 43 -9.238 -13.777 3.432 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.432 -13.294 1.207 1.00 0.00 H new ATOM 0 HB ILE A 43 -10.307 -12.418 1.716 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.292 -14.561 -0.173 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -9.806 -14.914 1.465 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -10.343 -11.880 -0.687 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.142 -10.900 0.188 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.613 -12.282 -0.800 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -11.611 -15.341 -0.131 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -12.051 -14.013 0.969 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -11.529 -13.654 -0.694 1.00 0.00 H new ATOM 599 N ARG A 44 -6.548 -11.114 2.033 1.00 0.00 N ATOM 600 CA ARG A 44 -6.044 -9.790 2.375 1.00 0.00 C ATOM 601 C ARG A 44 -6.255 -8.813 1.222 1.00 0.00 C ATOM 602 O ARG A 44 -5.751 -9.024 0.118 1.00 0.00 O ATOM 603 CB ARG A 44 -4.558 -9.862 2.732 1.00 0.00 C ATOM 604 CG ARG A 44 -4.053 -8.642 3.485 1.00 0.00 C ATOM 605 CD ARG A 44 -3.762 -7.486 2.540 1.00 0.00 C ATOM 606 NE ARG A 44 -2.802 -6.543 3.109 1.00 0.00 N ATOM 607 CZ ARG A 44 -1.518 -6.826 3.298 1.00 0.00 C ATOM 608 NH1 ARG A 44 -1.042 -8.017 2.966 1.00 0.00 N ATOM 609 NH2 ARG A 44 -0.707 -5.915 3.821 1.00 0.00 N ATOM 0 H ARG A 44 -5.853 -11.736 1.620 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.601 -9.430 3.240 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.381 -10.751 3.337 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.978 -9.979 1.816 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.796 -8.334 4.221 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.148 -8.901 4.035 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.373 -7.876 1.599 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.690 -6.964 2.309 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.136 -5.617 3.376 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.662 -8.720 2.564 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.055 -8.231 3.112 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.070 -4.997 4.078 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.279 -6.133 3.966 1.00 0.00 H new ATOM 623 N ARG A 45 -7.003 -7.747 1.485 1.00 0.00 N ATOM 624 CA ARG A 45 -7.281 -6.739 0.468 1.00 0.00 C ATOM 625 C ARG A 45 -6.746 -5.375 0.894 1.00 0.00 C ATOM 626 O ARG A 45 -6.327 -5.190 2.037 1.00 0.00 O ATOM 627 CB ARG A 45 -8.786 -6.650 0.207 1.00 0.00 C ATOM 628 CG ARG A 45 -9.304 -7.719 -0.740 1.00 0.00 C ATOM 629 CD ARG A 45 -10.821 -7.813 -0.698 1.00 0.00 C ATOM 630 NE ARG A 45 -11.307 -9.079 -1.241 1.00 0.00 N ATOM 631 CZ ARG A 45 -11.499 -9.297 -2.537 1.00 0.00 C ATOM 632 NH1 ARG A 45 -11.248 -8.339 -3.419 1.00 0.00 N ATOM 633 NH2 ARG A 45 -11.943 -10.476 -2.954 1.00 0.00 N ATOM 0 H ARG A 45 -7.428 -7.558 2.393 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.776 -7.037 -0.451 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -9.316 -6.730 1.156 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.017 -5.668 -0.206 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -8.980 -7.494 -1.756 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.871 -8.683 -0.474 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -11.162 -7.705 0.332 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.251 -6.987 -1.264 1.00 0.00 H new ATOM 0 HE ARG A 45 -11.510 -9.837 -0.589 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.906 -7.431 -3.103 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -11.397 -8.510 -4.414 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -12.137 -11.216 -2.279 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -12.090 -10.643 -3.949 1.00 0.00 H new ATOM 647 N LEU A 46 -6.762 -4.424 -0.033 1.00 0.00 N ATOM 648 CA LEU A 46 -6.278 -3.076 0.245 1.00 0.00 C ATOM 649 C LEU A 46 -7.307 -2.031 -0.174 1.00 0.00 C ATOM 650 O LEU A 46 -8.016 -2.205 -1.166 1.00 0.00 O ATOM 651 CB LEU A 46 -4.956 -2.827 -0.483 1.00 0.00 C ATOM 652 CG LEU A 46 -3.687 -3.191 0.287 1.00 0.00 C ATOM 653 CD1 LEU A 46 -3.451 -2.206 1.422 1.00 0.00 C ATOM 654 CD2 LEU A 46 -3.776 -4.613 0.822 1.00 0.00 C ATOM 0 H LEU A 46 -7.105 -4.561 -0.984 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.116 -2.989 1.319 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.966 -3.392 -1.415 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.905 -1.771 -0.750 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.841 -3.135 -0.398 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.543 -2.481 1.959 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.341 -1.201 1.015 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.299 -2.230 2.106 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.864 -4.854 1.367 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.632 -4.697 1.492 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.896 -5.308 -0.009 1.00 0.00 H new ATOM 666 N TYR A 47 -7.383 -0.945 0.587 1.00 0.00 N ATOM 667 CA TYR A 47 -8.325 0.129 0.295 1.00 0.00 C ATOM 668 C TYR A 47 -7.678 1.494 0.508 1.00 0.00 C ATOM 669 O TYR A 47 -7.026 1.734 1.524 1.00 0.00 O ATOM 670 CB TYR A 47 -9.568 -0.002 1.176 1.00 0.00 C ATOM 671 CG TYR A 47 -10.265 -1.337 1.046 1.00 0.00 C ATOM 672 CD1 TYR A 47 -11.129 -1.593 -0.011 1.00 0.00 C ATOM 673 CD2 TYR A 47 -10.058 -2.345 1.981 1.00 0.00 C ATOM 674 CE1 TYR A 47 -11.767 -2.812 -0.133 1.00 0.00 C ATOM 675 CE2 TYR A 47 -10.691 -3.567 1.866 1.00 0.00 C ATOM 676 CZ TYR A 47 -11.545 -3.795 0.808 1.00 0.00 C ATOM 677 OH TYR A 47 -12.179 -5.011 0.689 1.00 0.00 O ATOM 0 H TYR A 47 -6.803 -0.785 1.411 1.00 0.00 H new ATOM 0 HA TYR A 47 -8.619 0.046 -0.751 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.283 0.149 2.217 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -10.270 0.791 0.919 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -11.305 -0.826 -0.750 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.391 -2.169 2.812 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -12.436 -2.994 -0.961 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -10.518 -4.340 2.601 1.00 0.00 H new ATOM 0 HH TYR A 47 -11.914 -5.592 1.432 1.00 0.00 H new ATOM 687 N VAL A 48 -7.865 2.388 -0.459 1.00 0.00 N ATOM 688 CA VAL A 48 -7.302 3.730 -0.378 1.00 0.00 C ATOM 689 C VAL A 48 -7.977 4.544 0.720 1.00 0.00 C ATOM 690 O VAL A 48 -9.127 4.959 0.582 1.00 0.00 O ATOM 691 CB VAL A 48 -7.442 4.479 -1.716 1.00 0.00 C ATOM 692 CG1 VAL A 48 -6.926 5.904 -1.588 1.00 0.00 C ATOM 693 CG2 VAL A 48 -6.708 3.735 -2.822 1.00 0.00 C ATOM 0 H VAL A 48 -8.402 2.206 -1.307 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.244 3.615 -0.143 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.499 4.524 -1.978 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.033 6.417 -2.544 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.500 6.432 -0.826 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.874 5.886 -1.302 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.817 4.278 -3.761 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.651 3.657 -2.569 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.129 2.736 -2.930 1.00 0.00 H new ATOM 703 N ASN A 49 -7.253 4.769 1.812 1.00 0.00 N ATOM 704 CA ASN A 49 -7.782 5.534 2.936 1.00 0.00 C ATOM 705 C ASN A 49 -7.920 7.009 2.572 1.00 0.00 C ATOM 706 O ASN A 49 -9.020 7.562 2.585 1.00 0.00 O ATOM 707 CB ASN A 49 -6.874 5.381 4.157 1.00 0.00 C ATOM 708 CG ASN A 49 -6.942 6.580 5.082 1.00 0.00 C ATOM 709 OD1 ASN A 49 -6.008 7.380 5.149 1.00 0.00 O ATOM 710 ND2 ASN A 49 -8.050 6.710 5.802 1.00 0.00 N ATOM 0 H ASN A 49 -6.299 4.433 1.942 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.771 5.143 3.176 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -7.158 4.484 4.708 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -5.845 5.239 3.826 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -8.152 7.497 6.443 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -8.799 6.023 5.714 1.00 0.00 H new ATOM 717 N SER A 50 -6.796 7.641 2.248 1.00 0.00 N ATOM 718 CA SER A 50 -6.791 9.053 1.884 1.00 0.00 C ATOM 719 C SER A 50 -6.020 9.277 0.587 1.00 0.00 C ATOM 720 O SER A 50 -5.228 8.432 0.168 1.00 0.00 O ATOM 721 CB SER A 50 -6.174 9.889 3.008 1.00 0.00 C ATOM 722 OG SER A 50 -6.968 9.832 4.180 1.00 0.00 O ATOM 0 H SER A 50 -5.878 7.198 2.230 1.00 0.00 H new ATOM 0 HA SER A 50 -7.824 9.367 1.732 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.170 9.525 3.227 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.074 10.924 2.683 1.00 0.00 H new ATOM 0 HG SER A 50 -6.689 9.069 4.728 1.00 0.00 H new ATOM 728 N VAL A 51 -6.258 10.421 -0.046 1.00 0.00 N ATOM 729 CA VAL A 51 -5.586 10.758 -1.295 1.00 0.00 C ATOM 730 C VAL A 51 -5.144 12.217 -1.306 1.00 0.00 C ATOM 731 O VAL A 51 -5.902 13.110 -0.924 1.00 0.00 O ATOM 732 CB VAL A 51 -6.497 10.500 -2.510 1.00 0.00 C ATOM 733 CG1 VAL A 51 -5.707 10.612 -3.804 1.00 0.00 C ATOM 734 CG2 VAL A 51 -7.161 9.136 -2.397 1.00 0.00 C ATOM 0 H VAL A 51 -6.911 11.130 0.286 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.708 10.115 -1.365 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.279 11.260 -2.524 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.368 10.426 -4.651 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.284 11.613 -3.886 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.902 9.877 -3.804 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.801 8.970 -3.264 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -6.396 8.361 -2.357 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.763 9.098 -1.489 1.00 0.00 H new ATOM 744 N LYS A 52 -3.914 12.454 -1.746 1.00 0.00 N ATOM 745 CA LYS A 52 -3.369 13.805 -1.809 1.00 0.00 C ATOM 746 C LYS A 52 -4.221 14.693 -2.710 1.00 0.00 C ATOM 747 O LYS A 52 -4.306 14.468 -3.917 1.00 0.00 O ATOM 748 CB LYS A 52 -1.928 13.774 -2.322 1.00 0.00 C ATOM 749 CG LYS A 52 -1.190 15.089 -2.143 1.00 0.00 C ATOM 750 CD LYS A 52 0.306 14.871 -1.981 1.00 0.00 C ATOM 751 CE LYS A 52 1.016 14.856 -3.326 1.00 0.00 C ATOM 752 NZ LYS A 52 2.430 15.309 -3.211 1.00 0.00 N ATOM 0 H LYS A 52 -3.274 11.727 -2.065 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.380 14.221 -0.802 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.383 12.987 -1.801 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.933 13.511 -3.380 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.374 15.731 -3.005 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.580 15.610 -1.268 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.724 15.660 -1.356 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.483 13.928 -1.464 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.990 13.848 -3.739 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.484 15.501 -4.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.823 15.464 -4.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.467 16.198 -2.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.988 14.582 -2.719 1.00 0.00 H new ATOM 766 N GLU A 53 -4.849 15.704 -2.116 1.00 0.00 N ATOM 767 CA GLU A 53 -5.693 16.625 -2.867 1.00 0.00 C ATOM 768 C GLU A 53 -4.910 17.277 -4.004 1.00 0.00 C ATOM 769 O GLU A 53 -5.416 17.424 -5.117 1.00 0.00 O ATOM 770 CB GLU A 53 -6.260 17.703 -1.940 1.00 0.00 C ATOM 771 CG GLU A 53 -5.201 18.625 -1.360 1.00 0.00 C ATOM 772 CD GLU A 53 -4.264 17.910 -0.406 1.00 0.00 C ATOM 773 OE1 GLU A 53 -4.759 17.177 0.475 1.00 0.00 O ATOM 774 OE2 GLU A 53 -3.034 18.083 -0.542 1.00 0.00 O ATOM 0 H GLU A 53 -4.789 15.905 -1.118 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.517 16.055 -3.296 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -6.986 18.300 -2.492 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.798 17.222 -1.123 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.621 19.063 -2.173 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.688 19.448 -0.837 1.00 0.00 H new ATOM 781 N THR A 54 -3.672 17.666 -3.715 1.00 0.00 N ATOM 782 CA THR A 54 -2.820 18.303 -4.711 1.00 0.00 C ATOM 783 C THR A 54 -1.625 17.422 -5.057 1.00 0.00 C ATOM 784 O THR A 54 -0.479 17.779 -4.786 1.00 0.00 O ATOM 785 CB THR A 54 -2.310 19.672 -4.221 1.00 0.00 C ATOM 786 OG1 THR A 54 -1.617 19.519 -2.976 1.00 0.00 O ATOM 787 CG2 THR A 54 -3.462 20.649 -4.049 1.00 0.00 C ATOM 0 H THR A 54 -3.237 17.551 -2.799 1.00 0.00 H new ATOM 0 HA THR A 54 -3.430 18.449 -5.602 1.00 0.00 H new ATOM 0 HB THR A 54 -1.626 20.070 -4.971 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.858 18.912 -3.097 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.077 21.608 -3.702 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.969 20.785 -5.004 1.00 0.00 H new ATOM 0 HG23 THR A 54 -4.167 20.255 -3.317 1.00 0.00 H new ATOM 795 N GLY A 55 -1.901 16.269 -5.658 1.00 0.00 N ATOM 796 CA GLY A 55 -0.837 15.354 -6.031 1.00 0.00 C ATOM 797 C GLY A 55 -1.078 14.705 -7.379 1.00 0.00 C ATOM 798 O GLY A 55 -1.640 15.324 -8.284 1.00 0.00 O ATOM 0 H GLY A 55 -2.841 15.952 -5.893 1.00 0.00 H new ATOM 0 HA2 GLY A 55 0.110 15.893 -6.055 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.744 14.580 -5.270 1.00 0.00 H new ATOM 802 N LEU A 56 -0.652 13.454 -7.516 1.00 0.00 N ATOM 803 CA LEU A 56 -0.823 12.720 -8.765 1.00 0.00 C ATOM 804 C LEU A 56 -1.933 11.681 -8.638 1.00 0.00 C ATOM 805 O LEU A 56 -2.818 11.597 -9.489 1.00 0.00 O ATOM 806 CB LEU A 56 0.487 12.037 -9.161 1.00 0.00 C ATOM 807 CG LEU A 56 1.730 12.928 -9.179 1.00 0.00 C ATOM 808 CD1 LEU A 56 2.990 12.089 -9.033 1.00 0.00 C ATOM 809 CD2 LEU A 56 1.779 13.749 -10.459 1.00 0.00 C ATOM 0 H LEU A 56 -0.186 12.927 -6.778 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.104 13.432 -9.541 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.666 11.212 -8.472 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.362 11.602 -10.153 1.00 0.00 H new ATOM 0 HG LEU A 56 1.675 13.614 -8.333 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.864 12.740 -9.048 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.958 11.546 -8.088 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.052 11.379 -9.858 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.670 14.377 -10.455 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.811 13.080 -11.319 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.892 14.379 -10.522 1.00 0.00 H new ATOM 821 N ALA A 57 -1.880 10.893 -7.569 1.00 0.00 N ATOM 822 CA ALA A 57 -2.883 9.863 -7.329 1.00 0.00 C ATOM 823 C ALA A 57 -4.257 10.310 -7.818 1.00 0.00 C ATOM 824 O ALA A 57 -4.847 9.685 -8.698 1.00 0.00 O ATOM 825 CB ALA A 57 -2.935 9.512 -5.849 1.00 0.00 C ATOM 0 H ALA A 57 -1.153 10.948 -6.856 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.598 8.974 -7.892 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.688 8.742 -5.684 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.961 9.142 -5.528 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.193 10.401 -5.273 1.00 0.00 H new ATOM 831 N SER A 58 -4.761 11.396 -7.239 1.00 0.00 N ATOM 832 CA SER A 58 -6.068 11.924 -7.613 1.00 0.00 C ATOM 833 C SER A 58 -6.165 12.116 -9.124 1.00 0.00 C ATOM 834 O SER A 58 -7.036 11.545 -9.780 1.00 0.00 O ATOM 835 CB SER A 58 -6.328 13.252 -6.901 1.00 0.00 C ATOM 836 OG SER A 58 -7.560 13.819 -7.311 1.00 0.00 O ATOM 0 H SER A 58 -4.284 11.927 -6.510 1.00 0.00 H new ATOM 0 HA SER A 58 -6.825 11.202 -7.307 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.338 13.094 -5.823 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.516 13.947 -7.114 1.00 0.00 H new ATOM 0 HG SER A 58 -7.703 14.666 -6.840 1.00 0.00 H new ATOM 842 N LYS A 59 -5.262 12.925 -9.669 1.00 0.00 N ATOM 843 CA LYS A 59 -5.243 13.194 -11.102 1.00 0.00 C ATOM 844 C LYS A 59 -5.568 11.933 -11.897 1.00 0.00 C ATOM 845 O LYS A 59 -6.515 11.910 -12.684 1.00 0.00 O ATOM 846 CB LYS A 59 -3.874 13.734 -11.522 1.00 0.00 C ATOM 847 CG LYS A 59 -3.503 15.043 -10.845 1.00 0.00 C ATOM 848 CD LYS A 59 -2.109 15.500 -11.241 1.00 0.00 C ATOM 849 CE LYS A 59 -2.111 16.182 -12.600 1.00 0.00 C ATOM 850 NZ LYS A 59 -2.157 15.196 -13.715 1.00 0.00 N ATOM 0 H LYS A 59 -4.534 13.405 -9.140 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.005 13.944 -11.315 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.113 12.988 -11.294 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -3.865 13.878 -12.602 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.229 15.811 -11.113 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.553 14.921 -9.763 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.723 16.187 -10.488 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.437 14.642 -11.264 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.970 16.850 -12.670 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.218 16.800 -12.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.479 15.475 -14.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.908 14.253 -13.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.116 15.171 -14.117 1.00 0.00 H new ATOM 864 N LYS A 60 -4.779 10.885 -11.685 1.00 0.00 N ATOM 865 CA LYS A 60 -4.985 9.619 -12.379 1.00 0.00 C ATOM 866 C LYS A 60 -6.445 9.185 -12.298 1.00 0.00 C ATOM 867 O LYS A 60 -7.123 9.061 -13.316 1.00 0.00 O ATOM 868 CB LYS A 60 -4.085 8.535 -11.781 1.00 0.00 C ATOM 869 CG LYS A 60 -2.617 8.923 -11.729 1.00 0.00 C ATOM 870 CD LYS A 60 -2.048 9.141 -13.121 1.00 0.00 C ATOM 871 CE LYS A 60 -0.695 9.833 -13.068 1.00 0.00 C ATOM 872 NZ LYS A 60 -0.404 10.581 -14.322 1.00 0.00 N ATOM 0 H LYS A 60 -3.991 10.887 -11.038 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.725 9.761 -13.428 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.428 8.306 -10.772 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.190 7.623 -12.368 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.501 9.833 -11.141 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.051 8.142 -11.222 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.947 8.182 -13.628 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.742 9.741 -13.709 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.672 10.520 -12.222 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.086 9.091 -12.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.527 11.038 -14.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -0.401 9.922 -15.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.134 11.306 -14.471 1.00 0.00 H new ATOM 886 N GLY A 61 -6.922 8.956 -11.078 1.00 0.00 N ATOM 887 CA GLY A 61 -8.300 8.539 -10.887 1.00 0.00 C ATOM 888 C GLY A 61 -8.512 7.827 -9.566 1.00 0.00 C ATOM 889 O GLY A 61 -9.306 6.889 -9.479 1.00 0.00 O ATOM 0 H GLY A 61 -6.380 9.052 -10.219 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -8.951 9.412 -10.934 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.593 7.879 -11.703 1.00 0.00 H new ATOM 893 N LEU A 62 -7.800 8.270 -8.536 1.00 0.00 N ATOM 894 CA LEU A 62 -7.913 7.667 -7.212 1.00 0.00 C ATOM 895 C LEU A 62 -8.812 8.504 -6.307 1.00 0.00 C ATOM 896 O LEU A 62 -9.074 9.674 -6.585 1.00 0.00 O ATOM 897 CB LEU A 62 -6.529 7.518 -6.578 1.00 0.00 C ATOM 898 CG LEU A 62 -5.759 6.247 -6.938 1.00 0.00 C ATOM 899 CD1 LEU A 62 -4.260 6.491 -6.863 1.00 0.00 C ATOM 900 CD2 LEU A 62 -6.162 5.102 -6.020 1.00 0.00 C ATOM 0 H LEU A 62 -7.138 9.044 -8.592 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.362 6.680 -7.327 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.925 8.378 -6.866 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.642 7.556 -5.495 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.010 5.971 -7.962 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.729 5.575 -7.122 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.984 7.281 -7.562 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.991 6.792 -5.851 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.604 4.205 -6.290 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.941 5.369 -4.987 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.230 4.910 -6.125 1.00 0.00 H new ATOM 912 N LYS A 63 -9.280 7.897 -5.222 1.00 0.00 N ATOM 913 CA LYS A 63 -10.147 8.586 -4.273 1.00 0.00 C ATOM 914 C LYS A 63 -10.437 7.704 -3.063 1.00 0.00 C ATOM 915 O LYS A 63 -10.514 6.482 -3.177 1.00 0.00 O ATOM 916 CB LYS A 63 -11.459 8.989 -4.950 1.00 0.00 C ATOM 917 CG LYS A 63 -12.286 9.969 -4.136 1.00 0.00 C ATOM 918 CD LYS A 63 -13.771 9.821 -4.426 1.00 0.00 C ATOM 919 CE LYS A 63 -14.542 11.073 -4.037 1.00 0.00 C ATOM 920 NZ LYS A 63 -16.005 10.918 -4.271 1.00 0.00 N ATOM 0 H LYS A 63 -9.073 6.929 -4.978 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.631 9.483 -3.931 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.236 9.432 -5.920 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -12.052 8.094 -5.137 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.104 9.806 -3.074 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -11.970 10.988 -4.361 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.917 9.617 -5.487 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -14.166 8.965 -3.880 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -14.364 11.297 -2.985 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -14.170 11.922 -4.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -16.495 11.792 -3.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -16.177 10.729 -5.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -16.365 10.124 -3.704 1.00 0.00 H new ATOM 934 N ALA A 64 -10.597 8.334 -1.903 1.00 0.00 N ATOM 935 CA ALA A 64 -10.882 7.607 -0.672 1.00 0.00 C ATOM 936 C ALA A 64 -12.116 6.724 -0.829 1.00 0.00 C ATOM 937 O ALA A 64 -13.241 7.168 -0.605 1.00 0.00 O ATOM 938 CB ALA A 64 -11.070 8.579 0.483 1.00 0.00 C ATOM 0 H ALA A 64 -10.534 9.346 -1.790 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.031 6.962 -0.455 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -11.282 8.023 1.396 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.160 9.164 0.618 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.902 9.248 0.264 1.00 0.00 H new ATOM 944 N GLY A 65 -11.896 5.471 -1.216 1.00 0.00 N ATOM 945 CA GLY A 65 -12.999 4.547 -1.397 1.00 0.00 C ATOM 946 C GLY A 65 -12.786 3.612 -2.571 1.00 0.00 C ATOM 947 O GLY A 65 -13.731 3.271 -3.282 1.00 0.00 O ATOM 0 H GLY A 65 -10.974 5.080 -1.407 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.130 3.960 -0.488 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.920 5.110 -1.548 1.00 0.00 H new ATOM 951 N ASP A 66 -11.540 3.197 -2.776 1.00 0.00 N ATOM 952 CA ASP A 66 -11.205 2.297 -3.873 1.00 0.00 C ATOM 953 C ASP A 66 -10.329 1.148 -3.384 1.00 0.00 C ATOM 954 O ASP A 66 -9.369 1.359 -2.644 1.00 0.00 O ATOM 955 CB ASP A 66 -10.490 3.061 -4.989 1.00 0.00 C ATOM 956 CG ASP A 66 -11.455 3.631 -6.010 1.00 0.00 C ATOM 957 OD1 ASP A 66 -12.371 4.379 -5.609 1.00 0.00 O ATOM 958 OD2 ASP A 66 -11.294 3.329 -7.211 1.00 0.00 O ATOM 0 H ASP A 66 -10.746 3.470 -2.197 1.00 0.00 H new ATOM 0 HA ASP A 66 -12.133 1.882 -4.266 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.905 3.871 -4.554 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.788 2.394 -5.490 1.00 0.00 H new ATOM 963 N GLU A 67 -10.667 -0.068 -3.803 1.00 0.00 N ATOM 964 CA GLU A 67 -9.911 -1.250 -3.405 1.00 0.00 C ATOM 965 C GLU A 67 -8.860 -1.602 -4.454 1.00 0.00 C ATOM 966 O GLU A 67 -9.122 -1.538 -5.656 1.00 0.00 O ATOM 967 CB GLU A 67 -10.853 -2.437 -3.193 1.00 0.00 C ATOM 968 CG GLU A 67 -11.245 -3.141 -4.481 1.00 0.00 C ATOM 969 CD GLU A 67 -12.224 -2.335 -5.312 1.00 0.00 C ATOM 970 OE1 GLU A 67 -13.427 -2.332 -4.973 1.00 0.00 O ATOM 971 OE2 GLU A 67 -11.790 -1.708 -6.300 1.00 0.00 O ATOM 0 H GLU A 67 -11.458 -0.260 -4.417 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.403 -1.026 -2.467 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.374 -3.155 -2.527 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.755 -2.089 -2.690 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.349 -3.337 -5.070 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.687 -4.108 -4.242 1.00 0.00 H new ATOM 978 N ILE A 68 -7.671 -1.972 -3.990 1.00 0.00 N ATOM 979 CA ILE A 68 -6.581 -2.335 -4.887 1.00 0.00 C ATOM 980 C ILE A 68 -6.613 -3.823 -5.218 1.00 0.00 C ATOM 981 O ILE A 68 -6.984 -4.648 -4.382 1.00 0.00 O ATOM 982 CB ILE A 68 -5.211 -1.985 -4.278 1.00 0.00 C ATOM 983 CG1 ILE A 68 -5.232 -0.568 -3.700 1.00 0.00 C ATOM 984 CG2 ILE A 68 -4.116 -2.119 -5.325 1.00 0.00 C ATOM 985 CD1 ILE A 68 -5.276 0.514 -4.756 1.00 0.00 C ATOM 0 H ILE A 68 -7.438 -2.028 -2.999 1.00 0.00 H new ATOM 0 HA ILE A 68 -6.721 -1.759 -5.802 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.001 -2.684 -3.469 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.099 -0.463 -3.047 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.347 -0.424 -3.080 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.154 -1.868 -4.879 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -4.089 -3.144 -5.694 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.320 -1.441 -6.153 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.289 1.492 -4.275 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.396 0.435 -5.394 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.175 0.396 -5.361 1.00 0.00 H new ATOM 997 N LEU A 69 -6.220 -4.160 -6.441 1.00 0.00 N ATOM 998 CA LEU A 69 -6.201 -5.550 -6.883 1.00 0.00 C ATOM 999 C LEU A 69 -4.769 -6.054 -7.035 1.00 0.00 C ATOM 1000 O LEU A 69 -4.461 -7.191 -6.681 1.00 0.00 O ATOM 1001 CB LEU A 69 -6.948 -5.694 -8.210 1.00 0.00 C ATOM 1002 CG LEU A 69 -8.423 -5.289 -8.198 1.00 0.00 C ATOM 1003 CD1 LEU A 69 -8.918 -5.036 -9.613 1.00 0.00 C ATOM 1004 CD2 LEU A 69 -9.264 -6.361 -7.520 1.00 0.00 C ATOM 0 H LEU A 69 -5.910 -3.490 -7.145 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.700 -6.153 -6.125 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.433 -5.094 -8.961 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.880 -6.733 -8.531 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.522 -4.364 -7.630 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.969 -4.749 -9.585 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.335 -4.233 -10.064 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.806 -5.944 -10.206 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.311 -6.057 -7.520 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.160 -7.302 -8.061 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.925 -6.494 -6.493 1.00 0.00 H new ATOM 1016 N GLU A 70 -3.899 -5.198 -7.563 1.00 0.00 N ATOM 1017 CA GLU A 70 -2.500 -5.557 -7.760 1.00 0.00 C ATOM 1018 C GLU A 70 -1.606 -4.323 -7.686 1.00 0.00 C ATOM 1019 O GLU A 70 -2.056 -3.202 -7.926 1.00 0.00 O ATOM 1020 CB GLU A 70 -2.314 -6.255 -9.109 1.00 0.00 C ATOM 1021 CG GLU A 70 -2.515 -7.760 -9.049 1.00 0.00 C ATOM 1022 CD GLU A 70 -2.585 -8.394 -10.424 1.00 0.00 C ATOM 1023 OE1 GLU A 70 -1.522 -8.777 -10.956 1.00 0.00 O ATOM 1024 OE2 GLU A 70 -3.703 -8.507 -10.969 1.00 0.00 O ATOM 0 H GLU A 70 -4.138 -4.252 -7.861 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.212 -6.242 -6.962 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.016 -5.832 -9.827 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.311 -6.045 -9.482 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.697 -8.210 -8.487 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.434 -7.979 -8.505 1.00 0.00 H new ATOM 1031 N ILE A 71 -0.338 -4.537 -7.351 1.00 0.00 N ATOM 1032 CA ILE A 71 0.619 -3.443 -7.246 1.00 0.00 C ATOM 1033 C ILE A 71 1.918 -3.777 -7.971 1.00 0.00 C ATOM 1034 O ILE A 71 2.731 -4.560 -7.481 1.00 0.00 O ATOM 1035 CB ILE A 71 0.936 -3.111 -5.776 1.00 0.00 C ATOM 1036 CG1 ILE A 71 -0.358 -2.976 -4.971 1.00 0.00 C ATOM 1037 CG2 ILE A 71 1.758 -1.834 -5.686 1.00 0.00 C ATOM 1038 CD1 ILE A 71 -0.130 -2.663 -3.508 1.00 0.00 C ATOM 0 H ILE A 71 0.050 -5.458 -7.148 1.00 0.00 H new ATOM 0 HA ILE A 71 0.157 -2.574 -7.715 1.00 0.00 H new ATOM 0 HB ILE A 71 1.522 -3.927 -5.353 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.970 -2.189 -5.412 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.925 -3.903 -5.052 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.974 -1.613 -4.641 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.694 -1.964 -6.230 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.196 -1.008 -6.123 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.091 -2.581 -2.999 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.455 -3.461 -3.052 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.410 -1.720 -3.417 1.00 0.00 H new ATOM 1050 N ASN A 72 2.108 -3.176 -9.142 1.00 0.00 N ATOM 1051 CA ASN A 72 3.310 -3.409 -9.935 1.00 0.00 C ATOM 1052 C ASN A 72 3.431 -4.880 -10.320 1.00 0.00 C ATOM 1053 O ASN A 72 4.513 -5.462 -10.255 1.00 0.00 O ATOM 1054 CB ASN A 72 4.552 -2.970 -9.157 1.00 0.00 C ATOM 1055 CG ASN A 72 4.526 -1.493 -8.812 1.00 0.00 C ATOM 1056 OD1 ASN A 72 4.934 -0.651 -9.612 1.00 0.00 O ATOM 1057 ND2 ASN A 72 4.046 -1.173 -7.616 1.00 0.00 N ATOM 0 H ASN A 72 1.445 -2.524 -9.562 1.00 0.00 H new ATOM 0 HA ASN A 72 3.233 -2.818 -10.848 1.00 0.00 H new ATOM 0 HB2 ASN A 72 4.628 -3.553 -8.239 1.00 0.00 H new ATOM 0 HB3 ASN A 72 5.442 -3.187 -9.747 1.00 0.00 H new ATOM 0 HD21 ASN A 72 4.005 -0.195 -7.328 1.00 0.00 H new ATOM 0 HD22 ASN A 72 3.719 -1.905 -6.985 1.00 0.00 H new ATOM 1064 N ASN A 73 2.312 -5.475 -10.720 1.00 0.00 N ATOM 1065 CA ASN A 73 2.292 -6.879 -11.116 1.00 0.00 C ATOM 1066 C ASN A 73 2.491 -7.788 -9.907 1.00 0.00 C ATOM 1067 O ASN A 73 3.119 -8.842 -10.007 1.00 0.00 O ATOM 1068 CB ASN A 73 3.379 -7.152 -12.158 1.00 0.00 C ATOM 1069 CG ASN A 73 3.384 -6.123 -13.272 1.00 0.00 C ATOM 1070 OD1 ASN A 73 4.176 -5.180 -13.257 1.00 0.00 O ATOM 1071 ND2 ASN A 73 2.497 -6.299 -14.244 1.00 0.00 N ATOM 0 H ASN A 73 1.407 -5.007 -10.779 1.00 0.00 H new ATOM 0 HA ASN A 73 1.317 -7.094 -11.553 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.353 -7.159 -11.669 1.00 0.00 H new ATOM 0 HB3 ASN A 73 3.229 -8.144 -12.584 1.00 0.00 H new ATOM 0 HD21 ASN A 73 2.453 -5.638 -15.020 1.00 0.00 H new ATOM 0 HD22 ASN A 73 1.860 -7.095 -14.215 1.00 0.00 H new ATOM 1078 N ARG A 74 1.952 -7.372 -8.766 1.00 0.00 N ATOM 1079 CA ARG A 74 2.070 -8.148 -7.537 1.00 0.00 C ATOM 1080 C ARG A 74 0.727 -8.236 -6.818 1.00 0.00 C ATOM 1081 O ARG A 74 -0.056 -7.287 -6.827 1.00 0.00 O ATOM 1082 CB ARG A 74 3.116 -7.522 -6.613 1.00 0.00 C ATOM 1083 CG ARG A 74 4.525 -7.547 -7.182 1.00 0.00 C ATOM 1084 CD ARG A 74 5.183 -8.904 -6.983 1.00 0.00 C ATOM 1085 NE ARG A 74 6.349 -9.079 -7.845 1.00 0.00 N ATOM 1086 CZ ARG A 74 7.048 -10.206 -7.915 1.00 0.00 C ATOM 1087 NH1 ARG A 74 6.700 -11.253 -7.180 1.00 0.00 N ATOM 1088 NH2 ARG A 74 8.097 -10.288 -8.723 1.00 0.00 N ATOM 0 H ARG A 74 1.429 -6.502 -8.667 1.00 0.00 H new ATOM 0 HA ARG A 74 2.386 -9.157 -7.802 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.835 -6.489 -6.407 1.00 0.00 H new ATOM 0 HB3 ARG A 74 3.109 -8.050 -5.660 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.493 -7.309 -8.245 1.00 0.00 H new ATOM 0 HG3 ARG A 74 5.127 -6.776 -6.701 1.00 0.00 H new ATOM 0 HD2 ARG A 74 5.483 -9.012 -5.941 1.00 0.00 H new ATOM 0 HD3 ARG A 74 4.458 -9.692 -7.189 1.00 0.00 H new ATOM 0 HE ARG A 74 6.642 -8.293 -8.425 1.00 0.00 H new ATOM 0 HH11 ARG A 74 5.893 -11.194 -6.559 1.00 0.00 H new ATOM 0 HH12 ARG A 74 7.239 -12.117 -7.236 1.00 0.00 H new ATOM 0 HH21 ARG A 74 8.367 -9.485 -9.291 1.00 0.00 H new ATOM 0 HH22 ARG A 74 8.633 -11.154 -8.776 1.00 0.00 H new ATOM 1102 N ALA A 75 0.469 -9.381 -6.196 1.00 0.00 N ATOM 1103 CA ALA A 75 -0.778 -9.593 -5.471 1.00 0.00 C ATOM 1104 C ALA A 75 -0.769 -8.854 -4.137 1.00 0.00 C ATOM 1105 O ALA A 75 0.027 -9.163 -3.251 1.00 0.00 O ATOM 1106 CB ALA A 75 -1.016 -11.079 -5.252 1.00 0.00 C ATOM 0 H ALA A 75 1.107 -10.177 -6.179 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.593 -9.192 -6.074 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.951 -11.222 -4.710 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.075 -11.584 -6.216 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.193 -11.498 -4.673 1.00 0.00 H new ATOM 1112 N ALA A 76 -1.659 -7.877 -4.001 1.00 0.00 N ATOM 1113 CA ALA A 76 -1.754 -7.095 -2.774 1.00 0.00 C ATOM 1114 C ALA A 76 -1.606 -7.984 -1.544 1.00 0.00 C ATOM 1115 O ALA A 76 -0.873 -7.654 -0.612 1.00 0.00 O ATOM 1116 CB ALA A 76 -3.075 -6.343 -2.728 1.00 0.00 C ATOM 0 H ALA A 76 -2.325 -7.608 -4.725 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.938 -6.373 -2.769 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.132 -5.764 -1.806 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.141 -5.671 -3.584 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.900 -7.055 -2.761 1.00 0.00 H new ATOM 1122 N ASP A 77 -2.307 -9.113 -1.548 1.00 0.00 N ATOM 1123 CA ASP A 77 -2.254 -10.050 -0.432 1.00 0.00 C ATOM 1124 C ASP A 77 -0.871 -10.683 -0.319 1.00 0.00 C ATOM 1125 O ASP A 77 -0.379 -10.931 0.781 1.00 0.00 O ATOM 1126 CB ASP A 77 -3.314 -11.139 -0.602 1.00 0.00 C ATOM 1127 CG ASP A 77 -2.882 -12.221 -1.572 1.00 0.00 C ATOM 1128 OD1 ASP A 77 -2.814 -11.937 -2.786 1.00 0.00 O ATOM 1129 OD2 ASP A 77 -2.612 -13.352 -1.117 1.00 0.00 O ATOM 0 H ASP A 77 -2.919 -9.401 -2.312 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.457 -9.496 0.485 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -3.528 -11.589 0.368 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -4.241 -10.688 -0.955 1.00 0.00 H new ATOM 1134 N ALA A 78 -0.249 -10.941 -1.465 1.00 0.00 N ATOM 1135 CA ALA A 78 1.078 -11.544 -1.495 1.00 0.00 C ATOM 1136 C ALA A 78 2.129 -10.585 -0.947 1.00 0.00 C ATOM 1137 O ALA A 78 3.239 -10.994 -0.604 1.00 0.00 O ATOM 1138 CB ALA A 78 1.434 -11.966 -2.913 1.00 0.00 C ATOM 0 H ALA A 78 -0.643 -10.742 -2.385 1.00 0.00 H new ATOM 0 HA ALA A 78 1.063 -12.428 -0.858 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.427 -12.415 -2.921 1.00 0.00 H new ATOM 0 HB2 ALA A 78 0.705 -12.693 -3.270 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.425 -11.093 -3.565 1.00 0.00 H new ATOM 1144 N LEU A 79 1.773 -9.308 -0.867 1.00 0.00 N ATOM 1145 CA LEU A 79 2.687 -8.289 -0.361 1.00 0.00 C ATOM 1146 C LEU A 79 2.351 -7.925 1.082 1.00 0.00 C ATOM 1147 O LEU A 79 1.181 -7.860 1.459 1.00 0.00 O ATOM 1148 CB LEU A 79 2.628 -7.040 -1.241 1.00 0.00 C ATOM 1149 CG LEU A 79 2.622 -7.283 -2.751 1.00 0.00 C ATOM 1150 CD1 LEU A 79 2.186 -6.028 -3.492 1.00 0.00 C ATOM 1151 CD2 LEU A 79 3.997 -7.732 -3.224 1.00 0.00 C ATOM 0 H LEU A 79 0.858 -8.953 -1.146 1.00 0.00 H new ATOM 0 HA LEU A 79 3.697 -8.697 -0.388 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.731 -6.478 -0.980 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.482 -6.408 -0.998 1.00 0.00 H new ATOM 0 HG LEU A 79 1.907 -8.076 -2.969 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.188 -6.220 -4.565 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.181 -5.749 -3.175 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.876 -5.215 -3.268 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.974 -7.900 -4.301 1.00 0.00 H new ATOM 0 HD22 LEU A 79 4.731 -6.960 -2.993 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.272 -8.657 -2.718 1.00 0.00 H new ATOM 1163 N ASN A 80 3.384 -7.685 1.883 1.00 0.00 N ATOM 1164 CA ASN A 80 3.198 -7.325 3.284 1.00 0.00 C ATOM 1165 C ASN A 80 3.704 -5.912 3.554 1.00 0.00 C ATOM 1166 O ASN A 80 4.251 -5.257 2.666 1.00 0.00 O ATOM 1167 CB ASN A 80 3.926 -8.321 4.189 1.00 0.00 C ATOM 1168 CG ASN A 80 5.331 -8.623 3.703 1.00 0.00 C ATOM 1169 OD1 ASN A 80 5.670 -9.774 3.428 1.00 0.00 O ATOM 1170 ND2 ASN A 80 6.155 -7.588 3.596 1.00 0.00 N ATOM 0 H ASN A 80 4.359 -7.733 1.586 1.00 0.00 H new ATOM 0 HA ASN A 80 2.131 -7.358 3.503 1.00 0.00 H new ATOM 0 HB2 ASN A 80 3.973 -7.921 5.202 1.00 0.00 H new ATOM 0 HB3 ASN A 80 3.354 -9.248 4.239 1.00 0.00 H new ATOM 0 HD21 ASN A 80 7.113 -7.730 3.275 1.00 0.00 H new ATOM 0 HD22 ASN A 80 5.831 -6.651 3.835 1.00 0.00 H new ATOM 1177 N SER A 81 3.517 -5.447 4.785 1.00 0.00 N ATOM 1178 CA SER A 81 3.951 -4.110 5.172 1.00 0.00 C ATOM 1179 C SER A 81 5.226 -3.718 4.432 1.00 0.00 C ATOM 1180 O SER A 81 5.238 -2.761 3.657 1.00 0.00 O ATOM 1181 CB SER A 81 4.184 -4.044 6.682 1.00 0.00 C ATOM 1182 OG SER A 81 5.137 -5.008 7.094 1.00 0.00 O ATOM 0 H SER A 81 3.068 -5.977 5.532 1.00 0.00 H new ATOM 0 HA SER A 81 3.163 -3.406 4.902 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.529 -3.047 6.957 1.00 0.00 H new ATOM 0 HB3 SER A 81 3.243 -4.211 7.206 1.00 0.00 H new ATOM 0 HG SER A 81 5.269 -4.944 8.063 1.00 0.00 H new ATOM 1188 N SER A 82 6.298 -4.464 4.676 1.00 0.00 N ATOM 1189 CA SER A 82 7.581 -4.193 4.036 1.00 0.00 C ATOM 1190 C SER A 82 7.393 -3.876 2.556 1.00 0.00 C ATOM 1191 O SER A 82 7.570 -2.736 2.126 1.00 0.00 O ATOM 1192 CB SER A 82 8.519 -5.390 4.198 1.00 0.00 C ATOM 1193 OG SER A 82 9.172 -5.360 5.455 1.00 0.00 O ATOM 0 H SER A 82 6.304 -5.261 5.312 1.00 0.00 H new ATOM 0 HA SER A 82 8.025 -3.325 4.522 1.00 0.00 H new ATOM 0 HB2 SER A 82 7.952 -6.316 4.101 1.00 0.00 H new ATOM 0 HB3 SER A 82 9.261 -5.385 3.399 1.00 0.00 H new ATOM 0 HG SER A 82 9.764 -6.137 5.534 1.00 0.00 H new ATOM 1199 N MET A 83 7.032 -4.893 1.781 1.00 0.00 N ATOM 1200 CA MET A 83 6.818 -4.723 0.348 1.00 0.00 C ATOM 1201 C MET A 83 6.083 -3.419 0.059 1.00 0.00 C ATOM 1202 O MET A 83 6.493 -2.642 -0.805 1.00 0.00 O ATOM 1203 CB MET A 83 6.026 -5.905 -0.215 1.00 0.00 C ATOM 1204 CG MET A 83 6.892 -7.100 -0.579 1.00 0.00 C ATOM 1205 SD MET A 83 7.221 -8.175 0.830 1.00 0.00 S ATOM 1206 CE MET A 83 6.204 -9.591 0.420 1.00 0.00 C ATOM 0 H MET A 83 6.881 -5.843 2.120 1.00 0.00 H new ATOM 0 HA MET A 83 7.793 -4.685 -0.138 1.00 0.00 H new ATOM 0 HB2 MET A 83 5.283 -6.216 0.519 1.00 0.00 H new ATOM 0 HB3 MET A 83 5.482 -5.578 -1.101 1.00 0.00 H new ATOM 0 HG2 MET A 83 6.399 -7.675 -1.363 1.00 0.00 H new ATOM 0 HG3 MET A 83 7.838 -6.747 -0.990 1.00 0.00 H new ATOM 0 HE1 MET A 83 6.744 -10.508 0.657 1.00 0.00 H new ATOM 0 HE2 MET A 83 5.280 -9.555 0.997 1.00 0.00 H new ATOM 0 HE3 MET A 83 5.968 -9.573 -0.644 1.00 0.00 H new ATOM 1216 N LEU A 84 4.995 -3.185 0.784 1.00 0.00 N ATOM 1217 CA LEU A 84 4.202 -1.974 0.605 1.00 0.00 C ATOM 1218 C LEU A 84 5.058 -0.727 0.806 1.00 0.00 C ATOM 1219 O LEU A 84 5.254 0.061 -0.120 1.00 0.00 O ATOM 1220 CB LEU A 84 3.026 -1.961 1.584 1.00 0.00 C ATOM 1221 CG LEU A 84 1.807 -2.790 1.178 1.00 0.00 C ATOM 1222 CD1 LEU A 84 1.021 -3.220 2.407 1.00 0.00 C ATOM 1223 CD2 LEU A 84 0.920 -2.003 0.225 1.00 0.00 C ATOM 0 H LEU A 84 4.642 -3.818 1.502 1.00 0.00 H new ATOM 0 HA LEU A 84 3.818 -1.969 -0.415 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.379 -2.320 2.550 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.708 -0.928 1.725 1.00 0.00 H new ATOM 0 HG LEU A 84 2.156 -3.685 0.663 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.157 -3.809 2.099 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.659 -3.822 3.054 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.683 -2.337 2.950 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.058 -2.609 -0.053 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.580 -1.090 0.714 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.486 -1.745 -0.670 1.00 0.00 H new ATOM 1235 N LYS A 85 5.569 -0.556 2.020 1.00 0.00 N ATOM 1236 CA LYS A 85 6.408 0.592 2.343 1.00 0.00 C ATOM 1237 C LYS A 85 7.422 0.854 1.234 1.00 0.00 C ATOM 1238 O LYS A 85 7.695 2.003 0.888 1.00 0.00 O ATOM 1239 CB LYS A 85 7.135 0.362 3.670 1.00 0.00 C ATOM 1240 CG LYS A 85 6.340 0.809 4.884 1.00 0.00 C ATOM 1241 CD LYS A 85 7.168 0.722 6.156 1.00 0.00 C ATOM 1242 CE LYS A 85 7.187 -0.693 6.712 1.00 0.00 C ATOM 1243 NZ LYS A 85 7.568 -0.719 8.151 1.00 0.00 N ATOM 0 H LYS A 85 5.417 -1.198 2.797 1.00 0.00 H new ATOM 0 HA LYS A 85 5.764 1.466 2.436 1.00 0.00 H new ATOM 0 HB2 LYS A 85 7.367 -0.698 3.768 1.00 0.00 H new ATOM 0 HB3 LYS A 85 8.085 0.896 3.652 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.000 1.834 4.740 1.00 0.00 H new ATOM 0 HG3 LYS A 85 5.449 0.189 4.985 1.00 0.00 H new ATOM 0 HD2 LYS A 85 8.188 1.047 5.951 1.00 0.00 H new ATOM 0 HD3 LYS A 85 6.761 1.403 6.904 1.00 0.00 H new ATOM 0 HE2 LYS A 85 6.203 -1.145 6.589 1.00 0.00 H new ATOM 0 HE3 LYS A 85 7.889 -1.299 6.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 7.569 -1.701 8.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 8.518 -0.311 8.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.883 -0.162 8.701 1.00 0.00 H new ATOM 1257 N ASP A 86 7.976 -0.219 0.681 1.00 0.00 N ATOM 1258 CA ASP A 86 8.959 -0.106 -0.391 1.00 0.00 C ATOM 1259 C ASP A 86 8.333 0.509 -1.639 1.00 0.00 C ATOM 1260 O ASP A 86 8.858 1.473 -2.199 1.00 0.00 O ATOM 1261 CB ASP A 86 9.544 -1.480 -0.723 1.00 0.00 C ATOM 1262 CG ASP A 86 10.862 -1.383 -1.465 1.00 0.00 C ATOM 1263 OD1 ASP A 86 11.654 -0.469 -1.153 1.00 0.00 O ATOM 1264 OD2 ASP A 86 11.103 -2.222 -2.358 1.00 0.00 O ATOM 0 H ASP A 86 7.761 -1.177 0.957 1.00 0.00 H new ATOM 0 HA ASP A 86 9.761 0.548 -0.048 1.00 0.00 H new ATOM 0 HB2 ASP A 86 9.690 -2.042 0.199 1.00 0.00 H new ATOM 0 HB3 ASP A 86 8.830 -2.039 -1.328 1.00 0.00 H new ATOM 1269 N PHE A 87 7.210 -0.054 -2.071 1.00 0.00 N ATOM 1270 CA PHE A 87 6.513 0.438 -3.254 1.00 0.00 C ATOM 1271 C PHE A 87 6.224 1.931 -3.133 1.00 0.00 C ATOM 1272 O PHE A 87 6.373 2.684 -4.097 1.00 0.00 O ATOM 1273 CB PHE A 87 5.206 -0.331 -3.459 1.00 0.00 C ATOM 1274 CG PHE A 87 5.359 -1.554 -4.317 1.00 0.00 C ATOM 1275 CD1 PHE A 87 5.781 -1.446 -5.632 1.00 0.00 C ATOM 1276 CD2 PHE A 87 5.081 -2.813 -3.808 1.00 0.00 C ATOM 1277 CE1 PHE A 87 5.923 -2.570 -6.424 1.00 0.00 C ATOM 1278 CE2 PHE A 87 5.221 -3.940 -4.595 1.00 0.00 C ATOM 1279 CZ PHE A 87 5.642 -3.819 -5.905 1.00 0.00 C ATOM 0 H PHE A 87 6.763 -0.852 -1.620 1.00 0.00 H new ATOM 0 HA PHE A 87 7.159 0.280 -4.118 1.00 0.00 H new ATOM 0 HB2 PHE A 87 4.811 -0.626 -2.487 1.00 0.00 H new ATOM 0 HB3 PHE A 87 4.471 0.333 -3.914 1.00 0.00 H new ATOM 0 HD1 PHE A 87 6.002 -0.472 -6.043 1.00 0.00 H new ATOM 0 HD2 PHE A 87 4.751 -2.914 -2.785 1.00 0.00 H new ATOM 0 HE1 PHE A 87 6.253 -2.472 -7.448 1.00 0.00 H new ATOM 0 HE2 PHE A 87 5.001 -4.915 -4.186 1.00 0.00 H new ATOM 0 HZ PHE A 87 5.751 -4.699 -6.522 1.00 0.00 H new ATOM 1289 N LEU A 88 5.810 2.353 -1.943 1.00 0.00 N ATOM 1290 CA LEU A 88 5.499 3.757 -1.695 1.00 0.00 C ATOM 1291 C LEU A 88 6.757 4.616 -1.774 1.00 0.00 C ATOM 1292 O LEU A 88 6.691 5.804 -2.089 1.00 0.00 O ATOM 1293 CB LEU A 88 4.842 3.919 -0.323 1.00 0.00 C ATOM 1294 CG LEU A 88 3.495 3.220 -0.137 1.00 0.00 C ATOM 1295 CD1 LEU A 88 2.985 3.412 1.282 1.00 0.00 C ATOM 1296 CD2 LEU A 88 2.480 3.740 -1.145 1.00 0.00 C ATOM 0 H LEU A 88 5.682 1.744 -1.135 1.00 0.00 H new ATOM 0 HA LEU A 88 4.805 4.092 -2.466 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.531 3.544 0.434 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.706 4.983 -0.131 1.00 0.00 H new ATOM 0 HG LEU A 88 3.635 2.153 -0.310 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.025 2.908 1.395 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.702 2.990 1.986 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.861 4.476 1.483 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.527 3.231 -0.998 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.344 4.812 -1.004 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.841 3.549 -2.156 1.00 0.00 H new ATOM 1308 N SER A 89 7.903 4.006 -1.487 1.00 0.00 N ATOM 1309 CA SER A 89 9.176 4.715 -1.523 1.00 0.00 C ATOM 1310 C SER A 89 9.777 4.681 -2.926 1.00 0.00 C ATOM 1311 O SER A 89 10.996 4.689 -3.090 1.00 0.00 O ATOM 1312 CB SER A 89 10.156 4.099 -0.522 1.00 0.00 C ATOM 1313 OG SER A 89 11.092 5.061 -0.068 1.00 0.00 O ATOM 0 H SER A 89 7.975 3.022 -1.227 1.00 0.00 H new ATOM 0 HA SER A 89 8.993 5.754 -1.249 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.606 3.693 0.327 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.683 3.267 -0.989 1.00 0.00 H new ATOM 0 HG SER A 89 11.706 4.644 0.572 1.00 0.00 H new ATOM 1319 N GLN A 90 8.910 4.644 -3.933 1.00 0.00 N ATOM 1320 CA GLN A 90 9.354 4.608 -5.321 1.00 0.00 C ATOM 1321 C GLN A 90 8.804 5.799 -6.099 1.00 0.00 C ATOM 1322 O GLN A 90 7.701 6.282 -5.844 1.00 0.00 O ATOM 1323 CB GLN A 90 8.915 3.302 -5.986 1.00 0.00 C ATOM 1324 CG GLN A 90 9.579 2.067 -5.398 1.00 0.00 C ATOM 1325 CD GLN A 90 11.074 2.035 -5.645 1.00 0.00 C ATOM 1326 OE1 GLN A 90 11.528 2.082 -6.789 1.00 0.00 O ATOM 1327 NE2 GLN A 90 11.851 1.956 -4.571 1.00 0.00 N ATOM 0 H GLN A 90 7.897 4.638 -3.813 1.00 0.00 H new ATOM 0 HA GLN A 90 10.443 4.663 -5.329 1.00 0.00 H new ATOM 0 HB2 GLN A 90 7.834 3.202 -5.893 1.00 0.00 H new ATOM 0 HB3 GLN A 90 9.140 3.353 -7.051 1.00 0.00 H new ATOM 0 HG2 GLN A 90 9.391 2.034 -4.325 1.00 0.00 H new ATOM 0 HG3 GLN A 90 9.124 1.175 -5.829 1.00 0.00 H new ATOM 0 HE21 GLN A 90 11.434 1.919 -3.641 1.00 0.00 H new ATOM 0 HE22 GLN A 90 12.865 1.932 -4.676 1.00 0.00 H new ATOM 1336 N PRO A 91 9.590 6.285 -7.072 1.00 0.00 N ATOM 1337 CA PRO A 91 9.202 7.425 -7.907 1.00 0.00 C ATOM 1338 C PRO A 91 8.064 7.083 -8.863 1.00 0.00 C ATOM 1339 O PRO A 91 7.529 7.957 -9.545 1.00 0.00 O ATOM 1340 CB PRO A 91 10.479 7.744 -8.688 1.00 0.00 C ATOM 1341 CG PRO A 91 11.232 6.458 -8.724 1.00 0.00 C ATOM 1342 CD PRO A 91 10.917 5.759 -7.431 1.00 0.00 C ATOM 0 HA PRO A 91 8.831 8.259 -7.311 1.00 0.00 H new ATOM 0 HB2 PRO A 91 10.250 8.097 -9.694 1.00 0.00 H new ATOM 0 HB3 PRO A 91 11.057 8.528 -8.199 1.00 0.00 H new ATOM 0 HG2 PRO A 91 10.930 5.853 -9.579 1.00 0.00 H new ATOM 0 HG3 PRO A 91 12.303 6.635 -8.821 1.00 0.00 H new ATOM 0 HD2 PRO A 91 10.900 4.676 -7.554 1.00 0.00 H new ATOM 0 HD3 PRO A 91 11.658 5.981 -6.663 1.00 0.00 H new ATOM 1350 N SER A 92 7.699 5.806 -8.908 1.00 0.00 N ATOM 1351 CA SER A 92 6.626 5.347 -9.783 1.00 0.00 C ATOM 1352 C SER A 92 5.920 4.133 -9.187 1.00 0.00 C ATOM 1353 O SER A 92 6.553 3.270 -8.576 1.00 0.00 O ATOM 1354 CB SER A 92 7.181 5.001 -11.166 1.00 0.00 C ATOM 1355 OG SER A 92 7.928 3.798 -11.130 1.00 0.00 O ATOM 0 H SER A 92 8.131 5.070 -8.349 1.00 0.00 H new ATOM 0 HA SER A 92 5.900 6.154 -9.882 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.360 4.902 -11.876 1.00 0.00 H new ATOM 0 HB3 SER A 92 7.813 5.815 -11.521 1.00 0.00 H new ATOM 0 HG SER A 92 8.270 3.598 -12.026 1.00 0.00 H new ATOM 1361 N LEU A 93 4.606 4.072 -9.370 1.00 0.00 N ATOM 1362 CA LEU A 93 3.812 2.964 -8.851 1.00 0.00 C ATOM 1363 C LEU A 93 2.709 2.578 -9.832 1.00 0.00 C ATOM 1364 O LEU A 93 2.267 3.396 -10.637 1.00 0.00 O ATOM 1365 CB LEU A 93 3.200 3.338 -7.500 1.00 0.00 C ATOM 1366 CG LEU A 93 4.047 3.016 -6.268 1.00 0.00 C ATOM 1367 CD1 LEU A 93 4.945 4.192 -5.916 1.00 0.00 C ATOM 1368 CD2 LEU A 93 3.156 2.652 -5.089 1.00 0.00 C ATOM 0 H LEU A 93 4.068 4.777 -9.874 1.00 0.00 H new ATOM 0 HA LEU A 93 4.472 2.107 -8.719 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.990 4.408 -7.502 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.243 2.825 -7.403 1.00 0.00 H new ATOM 0 HG LEU A 93 4.679 2.159 -6.499 1.00 0.00 H new ATOM 0 HD11 LEU A 93 5.540 3.945 -5.037 1.00 0.00 H new ATOM 0 HD12 LEU A 93 5.608 4.407 -6.754 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.331 5.068 -5.704 1.00 0.00 H new ATOM 0 HD21 LEU A 93 3.775 2.426 -4.221 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.499 3.490 -4.857 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.555 1.779 -5.343 1.00 0.00 H new ATOM 1380 N GLY A 94 2.268 1.326 -9.756 1.00 0.00 N ATOM 1381 CA GLY A 94 1.220 0.854 -10.642 1.00 0.00 C ATOM 1382 C GLY A 94 0.094 0.169 -9.893 1.00 0.00 C ATOM 1383 O GLY A 94 0.179 -1.019 -9.578 1.00 0.00 O ATOM 0 H GLY A 94 2.618 0.630 -9.097 1.00 0.00 H new ATOM 0 HA2 GLY A 94 0.818 1.696 -11.206 1.00 0.00 H new ATOM 0 HA3 GLY A 94 1.646 0.160 -11.366 1.00 0.00 H new ATOM 1387 N LEU A 95 -0.965 0.919 -9.605 1.00 0.00 N ATOM 1388 CA LEU A 95 -2.113 0.377 -8.887 1.00 0.00 C ATOM 1389 C LEU A 95 -3.193 -0.090 -9.858 1.00 0.00 C ATOM 1390 O LEU A 95 -3.300 0.419 -10.975 1.00 0.00 O ATOM 1391 CB LEU A 95 -2.687 1.429 -7.935 1.00 0.00 C ATOM 1392 CG LEU A 95 -1.669 2.347 -7.257 1.00 0.00 C ATOM 1393 CD1 LEU A 95 -2.377 3.434 -6.464 1.00 0.00 C ATOM 1394 CD2 LEU A 95 -0.743 1.543 -6.356 1.00 0.00 C ATOM 0 H LEU A 95 -1.052 1.903 -9.858 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.775 -0.483 -8.308 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -3.391 2.048 -8.491 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.257 0.916 -7.160 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.066 2.824 -8.030 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.637 4.078 -5.988 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.997 4.028 -7.135 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.005 2.976 -5.699 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.025 2.212 -5.882 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.330 1.038 -5.589 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.210 0.802 -6.951 1.00 0.00 H new ATOM 1406 N LEU A 96 -3.992 -1.059 -9.425 1.00 0.00 N ATOM 1407 CA LEU A 96 -5.066 -1.593 -10.256 1.00 0.00 C ATOM 1408 C LEU A 96 -6.383 -1.624 -9.488 1.00 0.00 C ATOM 1409 O LEU A 96 -6.593 -2.479 -8.628 1.00 0.00 O ATOM 1410 CB LEU A 96 -4.711 -3.000 -10.740 1.00 0.00 C ATOM 1411 CG LEU A 96 -5.821 -3.759 -11.466 1.00 0.00 C ATOM 1412 CD1 LEU A 96 -6.192 -3.053 -12.761 1.00 0.00 C ATOM 1413 CD2 LEU A 96 -5.394 -5.193 -11.743 1.00 0.00 C ATOM 0 H LEU A 96 -3.917 -1.491 -8.504 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.185 -0.938 -11.119 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.852 -2.927 -11.407 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.397 -3.590 -9.879 1.00 0.00 H new ATOM 0 HG LEU A 96 -6.700 -3.780 -10.822 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -6.984 -3.608 -13.264 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.541 -2.044 -12.539 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.318 -3.000 -13.410 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -6.197 -5.718 -12.260 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.500 -5.192 -12.366 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.179 -5.697 -10.801 1.00 0.00 H new ATOM 1425 N VAL A 97 -7.270 -0.686 -9.807 1.00 0.00 N ATOM 1426 CA VAL A 97 -8.569 -0.608 -9.150 1.00 0.00 C ATOM 1427 C VAL A 97 -9.703 -0.823 -10.146 1.00 0.00 C ATOM 1428 O VAL A 97 -9.528 -0.638 -11.351 1.00 0.00 O ATOM 1429 CB VAL A 97 -8.765 0.752 -8.452 1.00 0.00 C ATOM 1430 CG1 VAL A 97 -7.868 0.858 -7.228 1.00 0.00 C ATOM 1431 CG2 VAL A 97 -8.493 1.891 -9.423 1.00 0.00 C ATOM 0 H VAL A 97 -7.112 0.030 -10.516 1.00 0.00 H new ATOM 0 HA VAL A 97 -8.592 -1.399 -8.401 1.00 0.00 H new ATOM 0 HB VAL A 97 -9.801 0.826 -8.121 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -8.020 1.825 -6.748 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.115 0.062 -6.526 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.825 0.764 -7.532 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -8.636 2.845 -8.915 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -7.467 1.823 -9.785 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -9.181 1.823 -10.266 1.00 0.00 H new ATOM 1441 N ARG A 98 -10.866 -1.215 -9.636 1.00 0.00 N ATOM 1442 CA ARG A 98 -12.029 -1.456 -10.481 1.00 0.00 C ATOM 1443 C ARG A 98 -12.918 -0.217 -10.549 1.00 0.00 C ATOM 1444 O ARG A 98 -13.074 0.503 -9.563 1.00 0.00 O ATOM 1445 CB ARG A 98 -12.833 -2.645 -9.952 1.00 0.00 C ATOM 1446 CG ARG A 98 -13.566 -3.416 -11.037 1.00 0.00 C ATOM 1447 CD ARG A 98 -12.707 -4.534 -11.605 1.00 0.00 C ATOM 1448 NE ARG A 98 -13.509 -5.555 -12.274 1.00 0.00 N ATOM 1449 CZ ARG A 98 -14.194 -6.492 -11.628 1.00 0.00 C ATOM 1450 NH1 ARG A 98 -14.175 -6.536 -10.303 1.00 0.00 N ATOM 1451 NH2 ARG A 98 -14.900 -7.386 -12.307 1.00 0.00 N ATOM 0 H ARG A 98 -11.028 -1.372 -8.641 1.00 0.00 H new ATOM 0 HA ARG A 98 -11.675 -1.684 -11.486 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -12.160 -3.323 -9.428 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -13.557 -2.286 -9.221 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -14.486 -3.835 -10.629 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -13.854 -2.735 -11.838 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -11.989 -4.117 -12.311 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -12.132 -4.994 -10.801 1.00 0.00 H new ATOM 0 HE ARG A 98 -13.545 -5.548 -13.293 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -13.634 -5.849 -9.778 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -14.702 -7.256 -9.809 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -14.917 -7.355 -13.326 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -15.426 -8.105 -11.810 1.00 0.00 H new ATOM 1465 N THR A 99 -13.498 0.025 -11.721 1.00 0.00 N ATOM 1466 CA THR A 99 -14.369 1.176 -11.919 1.00 0.00 C ATOM 1467 C THR A 99 -15.516 0.841 -12.865 1.00 0.00 C ATOM 1468 O THR A 99 -15.396 -0.043 -13.714 1.00 0.00 O ATOM 1469 CB THR A 99 -13.590 2.380 -12.480 1.00 0.00 C ATOM 1470 OG1 THR A 99 -14.335 3.585 -12.275 1.00 0.00 O ATOM 1471 CG2 THR A 99 -13.309 2.199 -13.965 1.00 0.00 C ATOM 0 H THR A 99 -13.380 -0.561 -12.547 1.00 0.00 H new ATOM 0 HA THR A 99 -14.773 1.438 -10.941 1.00 0.00 H new ATOM 0 HB THR A 99 -12.639 2.447 -11.951 1.00 0.00 H new ATOM 0 HG1 THR A 99 -13.832 4.346 -12.633 1.00 0.00 H new ATOM 0 HG21 THR A 99 -12.758 3.062 -14.339 1.00 0.00 H new ATOM 0 HG22 THR A 99 -12.716 1.297 -14.116 1.00 0.00 H new ATOM 0 HG23 THR A 99 -14.251 2.109 -14.505 1.00 0.00 H new ATOM 1479 N TYR A 100 -16.627 1.553 -12.716 1.00 0.00 N ATOM 1480 CA TYR A 100 -17.797 1.330 -13.557 1.00 0.00 C ATOM 1481 C TYR A 100 -17.636 2.019 -14.908 1.00 0.00 C ATOM 1482 O TYR A 100 -17.141 3.142 -15.006 1.00 0.00 O ATOM 1483 CB TYR A 100 -19.059 1.840 -12.858 1.00 0.00 C ATOM 1484 CG TYR A 100 -19.105 1.519 -11.381 1.00 0.00 C ATOM 1485 CD1 TYR A 100 -18.469 2.333 -10.452 1.00 0.00 C ATOM 1486 CD2 TYR A 100 -19.786 0.401 -10.915 1.00 0.00 C ATOM 1487 CE1 TYR A 100 -18.509 2.043 -9.102 1.00 0.00 C ATOM 1488 CE2 TYR A 100 -19.832 0.103 -9.567 1.00 0.00 C ATOM 1489 CZ TYR A 100 -19.191 0.927 -8.664 1.00 0.00 C ATOM 1490 OH TYR A 100 -19.234 0.635 -7.320 1.00 0.00 O ATOM 0 H TYR A 100 -16.742 2.290 -12.020 1.00 0.00 H new ATOM 0 HA TYR A 100 -17.892 0.257 -13.726 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -19.125 2.920 -12.989 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -19.933 1.406 -13.343 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -17.934 3.208 -10.791 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -20.288 -0.246 -11.619 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -18.009 2.687 -8.393 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -20.366 -0.770 -9.222 1.00 0.00 H new ATOM 0 HH TYR A 100 -19.755 -0.183 -7.179 1.00 0.00 H new