USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 655 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 79 TYR OH : rot 9:sc= 1.38 USER MOD Set 1.2: B 118 HIS : +bothHN:sc= -0.692! C(o=0.69!,f=-3.4!) USER MOD Set 2.1: A 30 GLN : amide:sc= 1.19 K(o=0.52,f=-9!) USER MOD Set 2.2: A 38 HIS : no HE2:sc= -0.668 K(o=0.52,f=-6.2!) USER MOD Single : A 15 ASN : amide:sc= -0.0758 X(o=-0.076,f=-0.22) USER MOD Single : A 16 TYR OH : rot 80:sc=-0.00861 USER MOD Single : A 19 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0683) USER MOD Single : A 21 SER OG : rot 99:sc= 1.27 USER MOD Single : A 22 LYS NZ :NH3+ -166:sc= 1.22 (180deg=1.04) USER MOD Single : A 23 THR OG1 : rot 126:sc= 1.35 USER MOD Single : A 24 MET CE :methyl -146:sc= 0 (180deg=-0.494) USER MOD Single : A 25 SER OG : rot 126:sc= 0.898 USER MOD Single : A 34 SER OG : rot -100:sc= 1.11 USER MOD Single : A 35 GLN : amide:sc= 0.691 K(o=0.69,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 40 HIS : +bothHN:sc= -2.97! C(o=-3!,f=-5.4!) USER MOD Single : A 42 TYR OH : rot -161:sc= 2.18 USER MOD Single : A 45 SER OG : rot 180:sc= -0.64 USER MOD Single : A 46 LYS NZ :NH3+ -179:sc= 1.26 (180deg=1.23) USER MOD Single : A 49 ASN : amide:sc= -0.593 K(o=-0.59,f=-4.7!) USER MOD Single : A 50 LYS NZ :NH3+ 179:sc= 1.26 (180deg=1.19) USER MOD Single : A 51 ASN : amide:sc= 0.314 K(o=0.31,f=-1.1) USER MOD Single : A 53 LYS NZ :NH3+ 157:sc= 0.853 (180deg=0.567) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN :FLIP amide:sc= -0.578 F(o=-1.8,f=-0.58) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.836 K(o=0.84,f=-7.1!) USER MOD Single : A 70 THR OG1 : rot 106:sc= 0.293 USER MOD Single : A 71 THR OG1 : rot -84:sc= 1.26 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 114 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0224) USER MOD Single : B 115 ASN : amide:sc= -0.113 K(o=-0.11,f=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 179 N GLY A 13 -4.017 9.456 3.587 1.00 0.00 N ATOM 180 CA GLY A 13 -4.345 8.916 2.285 1.00 0.00 C ATOM 181 C GLY A 13 -5.019 7.551 2.351 1.00 0.00 C ATOM 182 O GLY A 13 -5.009 6.799 1.389 1.00 0.00 O ATOM 0 HA2 GLY A 13 -5.002 9.613 1.765 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -3.434 8.835 1.693 1.00 0.00 H new ATOM 186 N GLU A 14 -5.595 7.235 3.483 1.00 0.00 N ATOM 187 CA GLU A 14 -6.343 5.988 3.641 1.00 0.00 C ATOM 188 C GLU A 14 -7.704 6.147 2.981 1.00 0.00 C ATOM 189 O GLU A 14 -8.365 5.183 2.603 1.00 0.00 O ATOM 190 CB GLU A 14 -6.579 5.696 5.104 1.00 0.00 C ATOM 191 CG GLU A 14 -5.345 5.634 5.957 1.00 0.00 C ATOM 192 CD GLU A 14 -5.703 5.375 7.376 1.00 0.00 C ATOM 193 OE1 GLU A 14 -6.280 6.279 8.028 1.00 0.00 O ATOM 194 OE2 GLU A 14 -5.453 4.278 7.884 1.00 0.00 O ATOM 0 H GLU A 14 -5.567 7.819 4.319 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.771 5.178 3.189 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.241 6.462 5.508 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.105 4.745 5.187 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.684 4.847 5.593 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.796 6.572 5.880 1.00 0.00 H new ATOM 201 N ASN A 15 -8.127 7.388 2.898 1.00 0.00 N ATOM 202 CA ASN A 15 -9.395 7.755 2.300 1.00 0.00 C ATOM 203 C ASN A 15 -9.139 8.224 0.863 1.00 0.00 C ATOM 204 O ASN A 15 -9.999 8.781 0.200 1.00 0.00 O ATOM 205 CB ASN A 15 -10.034 8.864 3.169 1.00 0.00 C ATOM 206 CG ASN A 15 -11.451 9.264 2.778 1.00 0.00 C ATOM 207 OD1 ASN A 15 -11.661 10.190 1.997 1.00 0.00 O ATOM 208 ND2 ASN A 15 -12.421 8.609 3.348 1.00 0.00 N ATOM 0 H ASN A 15 -7.594 8.184 3.248 1.00 0.00 H new ATOM 0 HA ASN A 15 -10.084 6.912 2.259 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -10.042 8.530 4.207 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -9.399 9.749 3.124 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -13.390 8.859 3.151 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -12.212 7.846 3.991 1.00 0.00 H new ATOM 215 N TYR A 16 -7.932 7.962 0.384 1.00 0.00 N ATOM 216 CA TYR A 16 -7.553 8.342 -0.956 1.00 0.00 C ATOM 217 C TYR A 16 -8.255 7.441 -1.953 1.00 0.00 C ATOM 218 O TYR A 16 -8.189 6.212 -1.854 1.00 0.00 O ATOM 219 CB TYR A 16 -6.023 8.274 -1.138 1.00 0.00 C ATOM 220 CG TYR A 16 -5.536 8.589 -2.540 1.00 0.00 C ATOM 221 CD1 TYR A 16 -5.397 9.896 -2.970 1.00 0.00 C ATOM 222 CD2 TYR A 16 -5.221 7.574 -3.424 1.00 0.00 C ATOM 223 CE1 TYR A 16 -4.966 10.187 -4.244 1.00 0.00 C ATOM 224 CE2 TYR A 16 -4.784 7.846 -4.695 1.00 0.00 C ATOM 225 CZ TYR A 16 -4.660 9.163 -5.104 1.00 0.00 C ATOM 226 OH TYR A 16 -4.244 9.452 -6.381 1.00 0.00 O ATOM 0 H TYR A 16 -7.200 7.485 0.911 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.858 9.374 -1.131 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -5.557 8.971 -0.441 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.683 7.275 -0.866 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.631 10.704 -2.293 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.321 6.546 -3.107 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.869 11.214 -4.564 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -4.539 7.040 -5.371 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.295 9.697 -6.368 1.00 0.00 H new ATOM 236 N ASP A 17 -8.940 8.034 -2.887 1.00 0.00 N ATOM 237 CA ASP A 17 -9.639 7.251 -3.880 1.00 0.00 C ATOM 238 C ASP A 17 -9.343 7.807 -5.264 1.00 0.00 C ATOM 239 O ASP A 17 -10.107 7.640 -6.218 1.00 0.00 O ATOM 240 CB ASP A 17 -11.137 7.230 -3.585 1.00 0.00 C ATOM 241 CG ASP A 17 -11.820 6.054 -4.236 1.00 0.00 C ATOM 242 OD1 ASP A 17 -11.515 4.897 -3.846 1.00 0.00 O ATOM 243 OD2 ASP A 17 -12.703 6.240 -5.086 1.00 0.00 O ATOM 0 H ASP A 17 -9.033 9.045 -2.987 1.00 0.00 H new ATOM 0 HA ASP A 17 -9.290 6.219 -3.846 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -11.295 7.191 -2.507 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -11.590 8.156 -3.940 1.00 0.00 H new ATOM 248 N GLY A 18 -8.206 8.462 -5.361 1.00 0.00 N ATOM 249 CA GLY A 18 -7.738 8.986 -6.624 1.00 0.00 C ATOM 250 C GLY A 18 -7.156 7.868 -7.461 1.00 0.00 C ATOM 251 O GLY A 18 -6.909 6.766 -6.947 1.00 0.00 O ATOM 0 H GLY A 18 -7.585 8.645 -4.573 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.561 9.461 -7.158 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.984 9.754 -6.452 1.00 0.00 H new ATOM 255 N LYS A 19 -6.906 8.119 -8.712 1.00 0.00 N ATOM 256 CA LYS A 19 -6.466 7.060 -9.576 1.00 0.00 C ATOM 257 C LYS A 19 -5.004 7.182 -9.933 1.00 0.00 C ATOM 258 O LYS A 19 -4.656 7.537 -11.058 1.00 0.00 O ATOM 259 CB LYS A 19 -7.330 6.967 -10.840 1.00 0.00 C ATOM 260 CG LYS A 19 -8.812 6.983 -10.556 1.00 0.00 C ATOM 261 CD LYS A 19 -9.280 5.848 -9.662 1.00 0.00 C ATOM 262 CE LYS A 19 -10.710 6.085 -9.193 1.00 0.00 C ATOM 263 NZ LYS A 19 -11.662 6.209 -10.318 1.00 0.00 N ATOM 0 H LYS A 19 -6.997 9.034 -9.154 1.00 0.00 H new ATOM 0 HA LYS A 19 -6.587 6.133 -9.015 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.085 7.799 -11.500 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.080 6.051 -11.375 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -9.072 7.932 -10.087 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.354 6.935 -11.501 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.222 4.904 -10.204 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.619 5.762 -8.800 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -11.019 5.262 -8.549 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -10.745 6.992 -8.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -12.635 6.199 -9.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -11.490 7.103 -10.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -11.531 5.412 -10.973 1.00 0.00 H new ATOM 277 N ILE A 20 -4.155 7.006 -8.964 1.00 0.00 N ATOM 278 CA ILE A 20 -2.755 6.939 -9.224 1.00 0.00 C ATOM 279 C ILE A 20 -2.343 5.480 -9.156 1.00 0.00 C ATOM 280 O ILE A 20 -2.832 4.731 -8.295 1.00 0.00 O ATOM 281 CB ILE A 20 -1.926 7.808 -8.243 1.00 0.00 C ATOM 282 CG1 ILE A 20 -0.484 7.933 -8.720 1.00 0.00 C ATOM 283 CG2 ILE A 20 -1.980 7.252 -6.836 1.00 0.00 C ATOM 284 CD1 ILE A 20 0.357 8.859 -7.879 1.00 0.00 C ATOM 0 H ILE A 20 -4.414 6.906 -7.982 1.00 0.00 H new ATOM 0 HA ILE A 20 -2.552 7.347 -10.214 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.369 8.804 -8.224 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.026 6.944 -8.724 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.481 8.290 -9.750 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.389 7.883 -6.172 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.014 7.232 -6.492 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -1.576 6.240 -6.829 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.370 8.896 -8.280 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.076 9.859 -7.895 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.387 8.492 -6.853 1.00 0.00 H new ATOM 296 N SER A 21 -1.524 5.054 -10.059 1.00 0.00 N ATOM 297 CA SER A 21 -1.120 3.683 -10.067 1.00 0.00 C ATOM 298 C SER A 21 0.378 3.565 -10.249 1.00 0.00 C ATOM 299 O SER A 21 0.899 2.497 -10.525 1.00 0.00 O ATOM 300 CB SER A 21 -1.858 2.975 -11.181 1.00 0.00 C ATOM 301 OG SER A 21 -1.583 3.569 -12.447 1.00 0.00 O ATOM 0 H SER A 21 -1.122 5.630 -10.799 1.00 0.00 H new ATOM 0 HA SER A 21 -1.366 3.219 -9.112 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.569 1.924 -11.200 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.930 3.008 -10.987 1.00 0.00 H new ATOM 0 HG SER A 21 -0.900 3.043 -12.914 1.00 0.00 H new ATOM 307 N LYS A 22 1.064 4.661 -10.073 1.00 0.00 N ATOM 308 CA LYS A 22 2.483 4.688 -10.260 1.00 0.00 C ATOM 309 C LYS A 22 3.126 5.107 -8.963 1.00 0.00 C ATOM 310 O LYS A 22 2.633 6.006 -8.302 1.00 0.00 O ATOM 311 CB LYS A 22 2.858 5.611 -11.426 1.00 0.00 C ATOM 312 CG LYS A 22 2.192 5.210 -12.744 1.00 0.00 C ATOM 313 CD LYS A 22 2.589 6.129 -13.881 1.00 0.00 C ATOM 314 CE LYS A 22 1.826 5.808 -15.173 1.00 0.00 C ATOM 315 NZ LYS A 22 2.122 4.452 -15.713 1.00 0.00 N ATOM 0 H LYS A 22 0.655 5.554 -9.798 1.00 0.00 H new ATOM 0 HA LYS A 22 2.851 3.697 -10.526 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.574 6.634 -11.178 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.940 5.603 -11.555 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.468 4.185 -12.993 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.109 5.229 -12.624 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.398 7.163 -13.595 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.660 6.041 -14.061 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.756 5.890 -14.984 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.075 6.554 -15.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.772 4.384 -16.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.149 4.290 -15.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.651 3.734 -15.126 1.00 0.00 H new ATOM 329 N THR A 23 4.223 4.471 -8.606 1.00 0.00 N ATOM 330 CA THR A 23 4.825 4.650 -7.308 1.00 0.00 C ATOM 331 C THR A 23 5.622 5.964 -7.263 1.00 0.00 C ATOM 332 O THR A 23 5.524 6.778 -8.186 1.00 0.00 O ATOM 333 CB THR A 23 5.715 3.428 -6.998 1.00 0.00 C ATOM 334 OG1 THR A 23 6.686 3.276 -8.041 1.00 0.00 O ATOM 335 CG2 THR A 23 4.872 2.156 -6.907 1.00 0.00 C ATOM 0 H THR A 23 4.720 3.816 -9.210 1.00 0.00 H new ATOM 0 HA THR A 23 4.052 4.720 -6.543 1.00 0.00 H new ATOM 0 HB THR A 23 6.211 3.589 -6.041 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.584 3.250 -7.650 1.00 0.00 H new ATOM 0 HG21 THR A 23 5.518 1.306 -6.688 1.00 0.00 H new ATOM 0 HG22 THR A 23 4.134 2.265 -6.113 1.00 0.00 H new ATOM 0 HG23 THR A 23 4.362 1.989 -7.856 1.00 0.00 H new ATOM 343 N MET A 24 6.400 6.187 -6.216 1.00 0.00 N ATOM 344 CA MET A 24 7.166 7.408 -6.115 1.00 0.00 C ATOM 345 C MET A 24 8.291 7.447 -7.153 1.00 0.00 C ATOM 346 O MET A 24 8.752 8.516 -7.530 1.00 0.00 O ATOM 347 CB MET A 24 7.645 7.663 -4.665 1.00 0.00 C ATOM 348 CG MET A 24 8.645 6.669 -4.074 1.00 0.00 C ATOM 349 SD MET A 24 10.347 6.941 -4.608 1.00 0.00 S ATOM 350 CE MET A 24 11.189 5.637 -3.714 1.00 0.00 C ATOM 0 H MET A 24 6.514 5.543 -5.434 1.00 0.00 H new ATOM 0 HA MET A 24 6.510 8.244 -6.356 1.00 0.00 H new ATOM 0 HB2 MET A 24 8.093 8.656 -4.627 1.00 0.00 H new ATOM 0 HB3 MET A 24 6.768 7.684 -4.018 1.00 0.00 H new ATOM 0 HG2 MET A 24 8.602 6.728 -2.986 1.00 0.00 H new ATOM 0 HG3 MET A 24 8.345 5.658 -4.351 1.00 0.00 H new ATOM 0 HE1 MET A 24 12.184 5.977 -3.426 1.00 0.00 H new ATOM 0 HE2 MET A 24 10.620 5.383 -2.820 1.00 0.00 H new ATOM 0 HE3 MET A 24 11.276 4.757 -4.351 1.00 0.00 H new ATOM 360 N SER A 25 8.711 6.272 -7.621 1.00 0.00 N ATOM 361 CA SER A 25 9.655 6.179 -8.689 1.00 0.00 C ATOM 362 C SER A 25 8.924 6.091 -10.031 1.00 0.00 C ATOM 363 O SER A 25 9.542 6.039 -11.091 1.00 0.00 O ATOM 364 CB SER A 25 10.541 4.975 -8.501 1.00 0.00 C ATOM 365 OG SER A 25 11.222 5.013 -7.248 1.00 0.00 O ATOM 0 H SER A 25 8.397 5.372 -7.259 1.00 0.00 H new ATOM 0 HA SER A 25 10.277 7.074 -8.684 1.00 0.00 H new ATOM 0 HB2 SER A 25 9.940 4.068 -8.561 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.270 4.929 -9.310 1.00 0.00 H new ATOM 0 HG SER A 25 11.054 4.180 -6.759 1.00 0.00 H new ATOM 371 N GLY A 26 7.602 6.062 -9.971 1.00 0.00 N ATOM 372 CA GLY A 26 6.802 6.022 -11.166 1.00 0.00 C ATOM 373 C GLY A 26 6.643 4.644 -11.742 1.00 0.00 C ATOM 374 O GLY A 26 6.439 4.492 -12.948 1.00 0.00 O ATOM 0 H GLY A 26 7.068 6.066 -9.102 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.815 6.430 -10.946 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.254 6.670 -11.917 1.00 0.00 H new ATOM 378 N LEU A 27 6.778 3.642 -10.923 1.00 0.00 N ATOM 379 CA LEU A 27 6.598 2.287 -11.370 1.00 0.00 C ATOM 380 C LEU A 27 5.131 1.942 -11.296 1.00 0.00 C ATOM 381 O LEU A 27 4.408 2.541 -10.538 1.00 0.00 O ATOM 382 CB LEU A 27 7.396 1.346 -10.504 1.00 0.00 C ATOM 383 CG LEU A 27 8.922 1.534 -10.519 1.00 0.00 C ATOM 384 CD1 LEU A 27 9.588 0.604 -9.522 1.00 0.00 C ATOM 385 CD2 LEU A 27 9.479 1.288 -11.914 1.00 0.00 C ATOM 0 H LEU A 27 7.014 3.736 -9.935 1.00 0.00 H new ATOM 0 HA LEU A 27 6.947 2.189 -12.398 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.049 1.450 -9.476 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.174 0.325 -10.814 1.00 0.00 H new ATOM 0 HG LEU A 27 9.137 2.563 -10.232 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.667 0.754 -9.549 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.217 0.819 -8.520 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.359 -0.430 -9.780 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.560 1.426 -11.904 1.00 0.00 H new ATOM 0 HD22 LEU A 27 9.246 0.269 -12.224 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.030 1.992 -12.614 1.00 0.00 H new ATOM 397 N GLU A 28 4.712 0.985 -12.054 1.00 0.00 N ATOM 398 CA GLU A 28 3.301 0.638 -12.134 1.00 0.00 C ATOM 399 C GLU A 28 2.936 -0.315 -10.988 1.00 0.00 C ATOM 400 O GLU A 28 3.707 -1.241 -10.655 1.00 0.00 O ATOM 401 CB GLU A 28 2.994 -0.002 -13.490 1.00 0.00 C ATOM 402 CG GLU A 28 1.510 -0.093 -13.839 1.00 0.00 C ATOM 403 CD GLU A 28 0.858 1.273 -14.001 1.00 0.00 C ATOM 404 OE1 GLU A 28 1.345 2.080 -14.828 1.00 0.00 O ATOM 405 OE2 GLU A 28 -0.172 1.540 -13.361 1.00 0.00 O ATOM 0 H GLU A 28 5.321 0.413 -12.640 1.00 0.00 H new ATOM 0 HA GLU A 28 2.701 1.543 -12.039 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.500 0.570 -14.268 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.418 -1.006 -13.505 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.393 -0.659 -14.763 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.991 -0.648 -13.058 1.00 0.00 H new ATOM 412 N CYS A 29 1.803 -0.082 -10.398 1.00 0.00 N ATOM 413 CA CYS A 29 1.323 -0.847 -9.271 1.00 0.00 C ATOM 414 C CYS A 29 0.610 -2.125 -9.670 1.00 0.00 C ATOM 415 O CYS A 29 0.022 -2.230 -10.748 1.00 0.00 O ATOM 416 CB CYS A 29 0.418 0.014 -8.391 1.00 0.00 C ATOM 417 SG CYS A 29 -0.385 -0.852 -6.998 1.00 0.00 S ATOM 0 H CYS A 29 1.167 0.661 -10.688 1.00 0.00 H new ATOM 0 HA CYS A 29 2.205 -1.150 -8.706 1.00 0.00 H new ATOM 0 HB2 CYS A 29 1.008 0.838 -7.991 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -0.358 0.453 -9.018 1.00 0.00 H new ATOM 422 N GLN A 30 0.696 -3.073 -8.776 1.00 0.00 N ATOM 423 CA GLN A 30 0.072 -4.371 -8.867 1.00 0.00 C ATOM 424 C GLN A 30 -1.274 -4.312 -8.161 1.00 0.00 C ATOM 425 O GLN A 30 -1.377 -3.753 -7.070 1.00 0.00 O ATOM 426 CB GLN A 30 0.959 -5.417 -8.168 1.00 0.00 C ATOM 427 CG GLN A 30 0.317 -6.795 -8.027 1.00 0.00 C ATOM 428 CD GLN A 30 1.111 -7.739 -7.149 1.00 0.00 C ATOM 429 OE1 GLN A 30 2.338 -7.672 -7.070 1.00 0.00 O ATOM 430 NE2 GLN A 30 0.426 -8.621 -6.467 1.00 0.00 N ATOM 0 H GLN A 30 1.232 -2.956 -7.916 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.060 -4.647 -9.913 1.00 0.00 H new ATOM 0 HB2 GLN A 30 1.889 -5.518 -8.727 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.221 -5.049 -7.176 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.685 -6.681 -7.613 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.204 -7.238 -9.016 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.590 -8.654 -6.552 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.908 -9.275 -5.851 1.00 0.00 H new ATOM 439 N ALA A 31 -2.281 -4.877 -8.776 1.00 0.00 N ATOM 440 CA ALA A 31 -3.608 -4.921 -8.211 1.00 0.00 C ATOM 441 C ALA A 31 -3.618 -5.621 -6.857 1.00 0.00 C ATOM 442 O ALA A 31 -3.117 -6.739 -6.717 1.00 0.00 O ATOM 443 CB ALA A 31 -4.569 -5.607 -9.172 1.00 0.00 C ATOM 0 H ALA A 31 -2.204 -5.323 -9.690 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.937 -3.894 -8.054 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.566 -5.633 -8.733 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.601 -5.055 -10.111 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.229 -6.625 -9.361 1.00 0.00 H new ATOM 449 N TRP A 32 -4.217 -4.956 -5.873 1.00 0.00 N ATOM 450 CA TRP A 32 -4.336 -5.441 -4.505 1.00 0.00 C ATOM 451 C TRP A 32 -5.059 -6.781 -4.454 1.00 0.00 C ATOM 452 O TRP A 32 -4.826 -7.603 -3.558 1.00 0.00 O ATOM 453 CB TRP A 32 -5.141 -4.445 -3.672 1.00 0.00 C ATOM 454 CG TRP A 32 -4.586 -3.058 -3.609 1.00 0.00 C ATOM 455 CD1 TRP A 32 -5.075 -1.948 -4.232 1.00 0.00 C ATOM 456 CD2 TRP A 32 -3.444 -2.629 -2.869 1.00 0.00 C ATOM 457 NE1 TRP A 32 -4.314 -0.858 -3.911 1.00 0.00 N ATOM 458 CE2 TRP A 32 -3.302 -1.249 -3.088 1.00 0.00 C ATOM 459 CE3 TRP A 32 -2.528 -3.276 -2.046 1.00 0.00 C ATOM 460 CZ2 TRP A 32 -2.284 -0.506 -2.511 1.00 0.00 C ATOM 461 CZ3 TRP A 32 -1.522 -2.535 -1.476 1.00 0.00 C ATOM 462 CH2 TRP A 32 -1.406 -1.164 -1.711 1.00 0.00 C ATOM 0 H TRP A 32 -4.644 -4.040 -6.011 1.00 0.00 H new ATOM 0 HA TRP A 32 -3.327 -5.557 -4.109 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -6.152 -4.394 -4.076 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -5.223 -4.831 -2.656 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -5.937 -1.932 -4.883 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.478 0.095 -4.236 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.606 -4.337 -1.860 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -2.193 0.555 -2.691 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -0.805 -3.023 -0.832 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -0.600 -0.615 -1.246 1.00 0.00 H new ATOM 473 N ASP A 33 -5.920 -6.993 -5.421 1.00 0.00 N ATOM 474 CA ASP A 33 -6.747 -8.183 -5.496 1.00 0.00 C ATOM 475 C ASP A 33 -5.940 -9.359 -6.009 1.00 0.00 C ATOM 476 O ASP A 33 -6.200 -10.511 -5.667 1.00 0.00 O ATOM 477 CB ASP A 33 -7.939 -7.919 -6.416 1.00 0.00 C ATOM 478 CG ASP A 33 -8.875 -9.101 -6.540 1.00 0.00 C ATOM 479 OD1 ASP A 33 -9.752 -9.280 -5.663 1.00 0.00 O ATOM 480 OD2 ASP A 33 -8.776 -9.841 -7.535 1.00 0.00 O ATOM 0 H ASP A 33 -6.071 -6.339 -6.189 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.110 -8.427 -4.497 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.496 -7.061 -6.039 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.572 -7.650 -7.406 1.00 0.00 H new ATOM 485 N SER A 34 -4.924 -9.050 -6.759 1.00 0.00 N ATOM 486 CA SER A 34 -4.104 -10.032 -7.378 1.00 0.00 C ATOM 487 C SER A 34 -2.937 -10.354 -6.467 1.00 0.00 C ATOM 488 O SER A 34 -2.178 -9.470 -6.076 1.00 0.00 O ATOM 489 CB SER A 34 -3.606 -9.487 -8.721 1.00 0.00 C ATOM 490 OG SER A 34 -2.819 -10.442 -9.429 1.00 0.00 O ATOM 0 H SER A 34 -4.642 -8.090 -6.957 1.00 0.00 H new ATOM 0 HA SER A 34 -4.672 -10.946 -7.554 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.460 -9.197 -9.333 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.016 -8.587 -8.550 1.00 0.00 H new ATOM 0 HG SER A 34 -1.868 -10.235 -9.311 1.00 0.00 H new ATOM 496 N GLN A 35 -2.784 -11.606 -6.130 1.00 0.00 N ATOM 497 CA GLN A 35 -1.695 -12.040 -5.285 1.00 0.00 C ATOM 498 C GLN A 35 -0.513 -12.483 -6.180 1.00 0.00 C ATOM 499 O GLN A 35 0.445 -13.116 -5.751 1.00 0.00 O ATOM 500 CB GLN A 35 -2.184 -13.150 -4.325 1.00 0.00 C ATOM 501 CG GLN A 35 -1.177 -13.557 -3.264 1.00 0.00 C ATOM 502 CD GLN A 35 -1.730 -14.506 -2.223 1.00 0.00 C ATOM 503 OE1 GLN A 35 -1.696 -15.721 -2.386 1.00 0.00 O ATOM 504 NE2 GLN A 35 -2.196 -13.969 -1.123 1.00 0.00 N ATOM 0 H GLN A 35 -3.407 -12.356 -6.431 1.00 0.00 H new ATOM 0 HA GLN A 35 -1.340 -11.224 -4.656 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -3.095 -12.810 -3.832 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -2.449 -14.029 -4.912 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.322 -14.026 -3.750 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.808 -12.661 -2.765 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -2.211 -12.955 -1.017 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -2.544 -14.565 -0.372 1.00 0.00 H new ATOM 513 N SER A 36 -0.581 -12.070 -7.414 1.00 0.00 N ATOM 514 CA SER A 36 0.410 -12.336 -8.395 1.00 0.00 C ATOM 515 C SER A 36 0.815 -10.993 -8.982 1.00 0.00 C ATOM 516 O SER A 36 -0.050 -10.201 -9.339 1.00 0.00 O ATOM 517 CB SER A 36 -0.183 -13.220 -9.485 1.00 0.00 C ATOM 518 OG SER A 36 -0.775 -14.389 -8.929 1.00 0.00 O ATOM 0 H SER A 36 -1.362 -11.518 -7.769 1.00 0.00 H new ATOM 0 HA SER A 36 1.270 -12.850 -7.965 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.932 -12.660 -10.045 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.597 -13.504 -10.192 1.00 0.00 H new ATOM 0 HG SER A 36 -1.150 -14.939 -9.648 1.00 0.00 H new ATOM 524 N PRO A 37 2.116 -10.687 -9.024 1.00 0.00 N ATOM 525 CA PRO A 37 3.187 -11.647 -8.657 1.00 0.00 C ATOM 526 C PRO A 37 3.371 -11.756 -7.145 1.00 0.00 C ATOM 527 O PRO A 37 3.577 -12.831 -6.613 1.00 0.00 O ATOM 528 CB PRO A 37 4.446 -10.987 -9.252 1.00 0.00 C ATOM 529 CG PRO A 37 4.084 -9.553 -9.314 1.00 0.00 C ATOM 530 CD PRO A 37 2.677 -9.554 -9.781 1.00 0.00 C ATOM 0 HA PRO A 37 2.970 -12.654 -9.015 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.322 -11.154 -8.625 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.680 -11.385 -10.239 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.180 -9.075 -8.339 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.731 -9.008 -10.001 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.169 -8.617 -9.553 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.603 -9.704 -10.858 1.00 0.00 H new ATOM 538 N HIS A 38 3.232 -10.637 -6.475 1.00 0.00 N ATOM 539 CA HIS A 38 3.553 -10.535 -5.063 1.00 0.00 C ATOM 540 C HIS A 38 2.516 -11.139 -4.151 1.00 0.00 C ATOM 541 O HIS A 38 1.344 -10.683 -4.112 1.00 0.00 O ATOM 542 CB HIS A 38 3.824 -9.091 -4.674 1.00 0.00 C ATOM 543 CG HIS A 38 5.062 -8.526 -5.284 1.00 0.00 C ATOM 544 ND1 HIS A 38 5.048 -7.602 -6.302 1.00 0.00 N ATOM 545 CD2 HIS A 38 6.360 -8.767 -5.017 1.00 0.00 C ATOM 546 CE1 HIS A 38 6.281 -7.306 -6.633 1.00 0.00 C ATOM 547 NE2 HIS A 38 7.097 -7.997 -5.870 1.00 0.00 N ATOM 0 H HIS A 38 2.893 -9.769 -6.889 1.00 0.00 H new ATOM 0 HA HIS A 38 4.457 -11.128 -4.925 1.00 0.00 H new ATOM 0 HB2 HIS A 38 2.972 -8.479 -4.970 1.00 0.00 H new ATOM 0 HB3 HIS A 38 3.902 -9.025 -3.589 1.00 0.00 H new ATOM 0 HD1 HIS A 38 4.210 -7.209 -6.732 1.00 0.00 H new ATOM 0 HD2 HIS A 38 6.746 -9.443 -4.268 1.00 0.00 H new ATOM 0 HE1 HIS A 38 6.577 -6.610 -7.404 1.00 0.00 H new ATOM 556 N ALA A 39 2.955 -12.122 -3.385 1.00 0.00 N ATOM 557 CA ALA A 39 2.135 -12.791 -2.417 1.00 0.00 C ATOM 558 C ALA A 39 1.969 -11.867 -1.245 1.00 0.00 C ATOM 559 O ALA A 39 2.949 -11.331 -0.721 1.00 0.00 O ATOM 560 CB ALA A 39 2.770 -14.104 -1.990 1.00 0.00 C ATOM 0 H ALA A 39 3.910 -12.477 -3.427 1.00 0.00 H new ATOM 0 HA ALA A 39 1.162 -13.032 -2.845 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.132 -14.595 -1.256 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.887 -14.751 -2.859 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.747 -13.909 -1.549 1.00 0.00 H new ATOM 566 N HIS A 40 0.755 -11.647 -0.838 1.00 0.00 N ATOM 567 CA HIS A 40 0.509 -10.666 0.173 1.00 0.00 C ATOM 568 C HIS A 40 -0.851 -10.898 0.755 1.00 0.00 C ATOM 569 O HIS A 40 -1.738 -11.412 0.059 1.00 0.00 O ATOM 570 CB HIS A 40 0.609 -9.240 -0.425 1.00 0.00 C ATOM 571 CG HIS A 40 -0.493 -8.874 -1.384 1.00 0.00 C ATOM 572 ND1 HIS A 40 -0.558 -9.300 -2.678 1.00 0.00 N ATOM 573 CD2 HIS A 40 -1.600 -8.146 -1.188 1.00 0.00 C ATOM 574 CE1 HIS A 40 -1.667 -8.847 -3.210 1.00 0.00 C ATOM 575 NE2 HIS A 40 -2.307 -8.145 -2.330 1.00 0.00 N ATOM 0 H HIS A 40 -0.073 -12.129 -1.187 1.00 0.00 H new ATOM 0 HA HIS A 40 1.259 -10.755 0.959 1.00 0.00 H new ATOM 0 HB2 HIS A 40 0.613 -8.519 0.392 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.565 -9.144 -0.940 1.00 0.00 H new ATOM 0 HD1 HIS A 40 0.139 -9.874 -3.152 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -1.876 -7.647 -0.271 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -1.995 -9.030 -4.222 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -3.198 -7.671 -2.479 1.00 0.00 H new ATOM 584 N GLY A 41 -1.039 -10.472 1.962 1.00 0.00 N ATOM 585 CA GLY A 41 -2.265 -10.707 2.635 1.00 0.00 C ATOM 586 C GLY A 41 -3.154 -9.508 2.674 1.00 0.00 C ATOM 587 O GLY A 41 -3.981 -9.373 3.572 1.00 0.00 O ATOM 0 H GLY A 41 -0.347 -9.954 2.503 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.791 -11.525 2.143 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.056 -11.030 3.655 1.00 0.00 H new ATOM 591 N TYR A 42 -3.032 -8.640 1.696 1.00 0.00 N ATOM 592 CA TYR A 42 -3.869 -7.468 1.673 1.00 0.00 C ATOM 593 C TYR A 42 -4.966 -7.754 0.732 1.00 0.00 C ATOM 594 O TYR A 42 -4.907 -7.401 -0.447 1.00 0.00 O ATOM 595 CB TYR A 42 -3.146 -6.170 1.261 1.00 0.00 C ATOM 596 CG TYR A 42 -1.995 -5.756 2.139 1.00 0.00 C ATOM 597 CD1 TYR A 42 -0.791 -6.450 2.138 1.00 0.00 C ATOM 598 CD2 TYR A 42 -2.106 -4.644 2.945 1.00 0.00 C ATOM 599 CE1 TYR A 42 0.263 -6.039 2.918 1.00 0.00 C ATOM 600 CE2 TYR A 42 -1.063 -4.234 3.728 1.00 0.00 C ATOM 601 CZ TYR A 42 0.118 -4.932 3.715 1.00 0.00 C ATOM 602 OH TYR A 42 1.167 -4.499 4.471 1.00 0.00 O ATOM 0 H TYR A 42 -2.374 -8.722 0.921 1.00 0.00 H new ATOM 0 HA TYR A 42 -4.217 -7.279 2.688 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.777 -6.289 0.242 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -3.875 -5.360 1.243 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -0.682 -7.325 1.515 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -3.032 -4.088 2.958 1.00 0.00 H new ATOM 0 HE1 TYR A 42 1.196 -6.582 2.904 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -1.169 -3.362 4.356 1.00 0.00 H new ATOM 0 HH TYR A 42 0.836 -3.916 5.186 1.00 0.00 H new ATOM 612 N ILE A 43 -5.879 -8.526 1.200 1.00 0.00 N ATOM 613 CA ILE A 43 -6.995 -8.897 0.412 1.00 0.00 C ATOM 614 C ILE A 43 -8.073 -7.806 0.552 1.00 0.00 C ATOM 615 O ILE A 43 -8.518 -7.496 1.667 1.00 0.00 O ATOM 616 CB ILE A 43 -7.495 -10.309 0.840 1.00 0.00 C ATOM 617 CG1 ILE A 43 -6.306 -11.295 0.735 1.00 0.00 C ATOM 618 CG2 ILE A 43 -8.642 -10.767 -0.050 1.00 0.00 C ATOM 619 CD1 ILE A 43 -6.594 -12.714 1.172 1.00 0.00 C ATOM 0 H ILE A 43 -5.872 -8.918 2.142 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.729 -8.970 -0.643 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.866 -10.274 1.864 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.964 -11.315 -0.300 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.483 -10.909 1.336 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.976 -11.755 0.266 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.469 -10.062 0.031 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.304 -10.813 -1.085 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.695 -13.319 1.058 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.903 -12.717 2.217 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -7.392 -13.129 0.556 1.00 0.00 H new ATOM 631 N PRO A 44 -8.527 -7.224 -0.573 1.00 0.00 N ATOM 632 CA PRO A 44 -9.434 -6.064 -0.571 1.00 0.00 C ATOM 633 C PRO A 44 -10.833 -6.362 -0.081 1.00 0.00 C ATOM 634 O PRO A 44 -11.604 -5.444 0.199 1.00 0.00 O ATOM 635 CB PRO A 44 -9.482 -5.624 -2.031 1.00 0.00 C ATOM 636 CG PRO A 44 -8.383 -6.358 -2.711 1.00 0.00 C ATOM 637 CD PRO A 44 -8.188 -7.621 -1.951 1.00 0.00 C ATOM 0 HA PRO A 44 -9.063 -5.306 0.119 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -10.447 -5.861 -2.479 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -9.346 -4.546 -2.119 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -8.639 -6.566 -3.750 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.468 -5.765 -2.721 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -8.838 -8.417 -2.315 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -7.164 -7.986 -2.027 1.00 0.00 H new ATOM 645 N SER A 45 -11.163 -7.615 0.019 1.00 0.00 N ATOM 646 CA SER A 45 -12.450 -7.996 0.474 1.00 0.00 C ATOM 647 C SER A 45 -12.474 -8.058 1.996 1.00 0.00 C ATOM 648 O SER A 45 -13.527 -7.867 2.626 1.00 0.00 O ATOM 649 CB SER A 45 -12.828 -9.321 -0.162 1.00 0.00 C ATOM 650 OG SER A 45 -11.756 -10.241 -0.044 1.00 0.00 O ATOM 0 H SER A 45 -10.545 -8.392 -0.213 1.00 0.00 H new ATOM 0 HA SER A 45 -13.190 -7.254 0.176 1.00 0.00 H new ATOM 0 HB2 SER A 45 -13.718 -9.724 0.321 1.00 0.00 H new ATOM 0 HB3 SER A 45 -13.075 -9.171 -1.213 1.00 0.00 H new ATOM 0 HG SER A 45 -12.010 -11.093 -0.456 1.00 0.00 H new ATOM 656 N LYS A 46 -11.312 -8.293 2.601 1.00 0.00 N ATOM 657 CA LYS A 46 -11.239 -8.365 4.010 1.00 0.00 C ATOM 658 C LYS A 46 -10.952 -6.982 4.597 1.00 0.00 C ATOM 659 O LYS A 46 -11.322 -6.699 5.728 1.00 0.00 O ATOM 660 CB LYS A 46 -10.227 -9.419 4.468 1.00 0.00 C ATOM 661 CG LYS A 46 -8.756 -9.048 4.346 1.00 0.00 C ATOM 662 CD LYS A 46 -7.835 -10.161 4.864 1.00 0.00 C ATOM 663 CE LYS A 46 -8.146 -10.532 6.322 1.00 0.00 C ATOM 664 NZ LYS A 46 -7.213 -11.544 6.866 1.00 0.00 N ATOM 0 H LYS A 46 -10.425 -8.433 2.116 1.00 0.00 H new ATOM 0 HA LYS A 46 -12.207 -8.689 4.392 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -10.433 -9.659 5.511 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -10.398 -10.329 3.892 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.521 -8.840 3.302 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.566 -8.132 4.905 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -7.943 -11.044 4.234 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.797 -9.839 4.785 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -8.101 -9.634 6.938 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -9.166 -10.912 6.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.479 -11.770 7.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.260 -12.407 6.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.244 -11.168 6.848 1.00 0.00 H new ATOM 678 N PHE A 47 -10.311 -6.114 3.814 1.00 0.00 N ATOM 679 CA PHE A 47 -10.078 -4.735 4.250 1.00 0.00 C ATOM 680 C PHE A 47 -10.683 -3.758 3.206 1.00 0.00 C ATOM 681 O PHE A 47 -9.952 -3.128 2.435 1.00 0.00 O ATOM 682 CB PHE A 47 -8.572 -4.414 4.428 1.00 0.00 C ATOM 683 CG PHE A 47 -7.747 -5.427 5.208 1.00 0.00 C ATOM 684 CD1 PHE A 47 -7.987 -5.693 6.560 1.00 0.00 C ATOM 685 CD2 PHE A 47 -6.712 -6.104 4.577 1.00 0.00 C ATOM 686 CE1 PHE A 47 -7.209 -6.612 7.243 1.00 0.00 C ATOM 687 CE2 PHE A 47 -5.936 -7.017 5.263 1.00 0.00 C ATOM 688 CZ PHE A 47 -6.185 -7.269 6.595 1.00 0.00 C ATOM 0 H PHE A 47 -9.948 -6.336 2.887 1.00 0.00 H new ATOM 0 HA PHE A 47 -10.558 -4.616 5.221 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -8.128 -4.303 3.439 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -8.486 -3.448 4.926 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -8.785 -5.178 7.075 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.511 -5.913 3.533 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -7.405 -6.815 8.286 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -5.134 -7.533 4.756 1.00 0.00 H new ATOM 0 HZ PHE A 47 -5.577 -7.982 7.132 1.00 0.00 H new ATOM 698 N PRO A 48 -12.026 -3.665 3.122 1.00 0.00 N ATOM 699 CA PRO A 48 -12.704 -2.820 2.116 1.00 0.00 C ATOM 700 C PRO A 48 -12.726 -1.339 2.524 1.00 0.00 C ATOM 701 O PRO A 48 -12.728 -0.428 1.682 1.00 0.00 O ATOM 702 CB PRO A 48 -14.116 -3.395 2.129 1.00 0.00 C ATOM 703 CG PRO A 48 -14.310 -3.767 3.552 1.00 0.00 C ATOM 704 CD PRO A 48 -13.006 -4.356 3.992 1.00 0.00 C ATOM 0 HA PRO A 48 -12.213 -2.836 1.143 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -14.853 -2.663 1.799 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -14.207 -4.258 1.470 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -14.570 -2.896 4.153 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -15.122 -4.485 3.663 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.813 -4.168 5.048 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -12.982 -5.437 3.851 1.00 0.00 H new ATOM 712 N ASN A 49 -12.688 -1.136 3.821 1.00 0.00 N ATOM 713 CA ASN A 49 -12.768 0.164 4.481 1.00 0.00 C ATOM 714 C ASN A 49 -11.619 1.082 4.104 1.00 0.00 C ATOM 715 O ASN A 49 -11.752 2.299 4.123 1.00 0.00 O ATOM 716 CB ASN A 49 -12.759 -0.027 6.011 1.00 0.00 C ATOM 717 CG ASN A 49 -11.501 -0.735 6.557 1.00 0.00 C ATOM 718 OD1 ASN A 49 -10.910 -1.596 5.898 1.00 0.00 O ATOM 719 ND2 ASN A 49 -11.071 -0.364 7.737 1.00 0.00 N ATOM 0 H ASN A 49 -12.596 -1.905 4.484 1.00 0.00 H new ATOM 0 HA ASN A 49 -13.696 0.629 4.149 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -12.847 0.949 6.487 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -13.639 -0.603 6.298 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.231 -0.788 8.130 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -11.576 0.349 8.263 1.00 0.00 H new ATOM 726 N LYS A 50 -10.514 0.505 3.734 1.00 0.00 N ATOM 727 CA LYS A 50 -9.331 1.257 3.417 1.00 0.00 C ATOM 728 C LYS A 50 -9.241 1.559 1.932 1.00 0.00 C ATOM 729 O LYS A 50 -8.186 1.953 1.435 1.00 0.00 O ATOM 730 CB LYS A 50 -8.129 0.481 3.881 1.00 0.00 C ATOM 731 CG LYS A 50 -8.057 0.298 5.395 1.00 0.00 C ATOM 732 CD LYS A 50 -7.853 1.625 6.118 1.00 0.00 C ATOM 733 CE LYS A 50 -7.776 1.416 7.616 1.00 0.00 C ATOM 734 NZ LYS A 50 -7.481 2.661 8.345 1.00 0.00 N ATOM 0 H LYS A 50 -10.405 -0.505 3.642 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.371 2.218 3.931 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.137 -0.500 3.406 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.227 0.991 3.543 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.975 -0.171 5.748 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.239 -0.379 5.641 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.937 2.099 5.765 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.674 2.302 5.883 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.721 1.006 7.971 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.005 0.678 7.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.456 2.467 9.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.558 3.032 8.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.220 3.364 8.144 1.00 0.00 H new ATOM 748 N ASN A 51 -10.367 1.361 1.239 1.00 0.00 N ATOM 749 CA ASN A 51 -10.502 1.618 -0.189 1.00 0.00 C ATOM 750 C ASN A 51 -9.487 0.858 -0.975 1.00 0.00 C ATOM 751 O ASN A 51 -8.949 1.363 -1.941 1.00 0.00 O ATOM 752 CB ASN A 51 -10.388 3.112 -0.536 1.00 0.00 C ATOM 753 CG ASN A 51 -11.550 3.950 -0.077 1.00 0.00 C ATOM 754 OD1 ASN A 51 -12.146 3.712 0.973 1.00 0.00 O ATOM 755 ND2 ASN A 51 -11.932 4.885 -0.899 1.00 0.00 N ATOM 0 H ASN A 51 -11.224 1.011 1.668 1.00 0.00 H new ATOM 0 HA ASN A 51 -11.503 1.281 -0.458 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -9.474 3.506 -0.092 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.287 3.214 -1.616 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -12.752 5.451 -0.682 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.411 5.051 -1.760 1.00 0.00 H new ATOM 762 N LEU A 52 -9.259 -0.372 -0.605 1.00 0.00 N ATOM 763 CA LEU A 52 -8.278 -1.168 -1.272 1.00 0.00 C ATOM 764 C LEU A 52 -8.872 -1.612 -2.616 1.00 0.00 C ATOM 765 O LEU A 52 -9.547 -2.639 -2.707 1.00 0.00 O ATOM 766 CB LEU A 52 -7.910 -2.365 -0.389 1.00 0.00 C ATOM 767 CG LEU A 52 -6.509 -2.926 -0.563 1.00 0.00 C ATOM 768 CD1 LEU A 52 -5.479 -1.906 -0.107 1.00 0.00 C ATOM 769 CD2 LEU A 52 -6.348 -4.220 0.209 1.00 0.00 C ATOM 0 H LEU A 52 -9.744 -0.843 0.159 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.363 -0.605 -1.456 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.034 -2.072 0.653 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.625 -3.165 -0.582 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.351 -3.139 -1.620 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.478 -2.317 -0.236 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.578 -0.998 -0.702 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -5.642 -1.670 0.945 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.337 -4.603 0.070 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.523 -4.036 1.269 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.068 -4.953 -0.156 1.00 0.00 H new ATOM 781 N LYS A 53 -8.731 -0.763 -3.625 1.00 0.00 N ATOM 782 CA LYS A 53 -9.349 -1.023 -4.901 1.00 0.00 C ATOM 783 C LYS A 53 -8.321 -1.049 -6.013 1.00 0.00 C ATOM 784 O LYS A 53 -7.391 -0.228 -6.046 1.00 0.00 O ATOM 785 CB LYS A 53 -10.386 0.040 -5.232 1.00 0.00 C ATOM 786 CG LYS A 53 -11.328 0.438 -4.082 1.00 0.00 C ATOM 787 CD LYS A 53 -12.179 1.639 -4.455 1.00 0.00 C ATOM 788 CE LYS A 53 -13.052 2.095 -3.295 1.00 0.00 C ATOM 789 NZ LYS A 53 -13.718 3.384 -3.583 1.00 0.00 N ATOM 0 H LYS A 53 -8.196 0.104 -3.577 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.831 -1.998 -4.826 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.865 0.934 -5.576 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -10.991 -0.317 -6.065 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.974 -0.403 -3.830 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.742 0.667 -3.192 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -11.533 2.459 -4.768 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -12.810 1.387 -5.307 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -13.805 1.335 -3.086 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -12.442 2.194 -2.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -14.568 3.476 -2.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -13.065 4.166 -3.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -13.991 3.417 -4.586 1.00 0.00 H new ATOM 803 N LYS A 54 -8.546 -1.944 -6.925 1.00 0.00 N ATOM 804 CA LYS A 54 -7.706 -2.190 -8.088 1.00 0.00 C ATOM 805 C LYS A 54 -6.217 -2.201 -7.819 1.00 0.00 C ATOM 806 O LYS A 54 -5.730 -3.047 -7.097 1.00 0.00 O ATOM 807 CB LYS A 54 -8.096 -1.353 -9.326 1.00 0.00 C ATOM 808 CG LYS A 54 -9.422 -1.751 -9.968 1.00 0.00 C ATOM 809 CD LYS A 54 -9.356 -3.167 -10.536 1.00 0.00 C ATOM 810 CE LYS A 54 -10.662 -3.579 -11.196 1.00 0.00 C ATOM 811 NZ LYS A 54 -10.587 -4.955 -11.741 1.00 0.00 N ATOM 0 H LYS A 54 -9.358 -2.561 -6.889 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.933 -3.225 -8.346 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.147 -0.303 -9.037 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.305 -1.440 -10.071 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.220 -1.690 -9.228 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.670 -1.048 -10.763 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.547 -3.228 -11.264 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.118 -3.868 -9.736 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.472 -3.518 -10.470 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.901 -2.881 -11.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.495 -5.203 -12.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.830 -5.006 -12.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.384 -5.623 -10.970 1.00 0.00 H new ATOM 825 N ASN A 55 -5.528 -1.245 -8.360 1.00 0.00 N ATOM 826 CA ASN A 55 -4.085 -1.162 -8.264 1.00 0.00 C ATOM 827 C ASN A 55 -3.730 0.285 -8.022 1.00 0.00 C ATOM 828 O ASN A 55 -2.676 0.776 -8.401 1.00 0.00 O ATOM 829 CB ASN A 55 -3.453 -1.687 -9.582 1.00 0.00 C ATOM 830 CG ASN A 55 -3.805 -0.850 -10.802 1.00 0.00 C ATOM 831 OD1 ASN A 55 -2.962 0.079 -11.132 1.00 0.00 O flip ATOM 832 ND2 ASN A 55 -4.842 -1.063 -11.450 1.00 0.00 N flip ATOM 0 H ASN A 55 -5.949 -0.483 -8.891 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.701 -1.772 -7.446 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.369 -1.713 -9.470 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.781 -2.713 -9.749 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -5.482 -1.803 -11.160 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -5.055 -0.498 -12.272 1.00 0.00 H new ATOM 839 N TYR A 56 -4.642 0.971 -7.394 1.00 0.00 N ATOM 840 CA TYR A 56 -4.451 2.360 -7.091 1.00 0.00 C ATOM 841 C TYR A 56 -3.806 2.487 -5.737 1.00 0.00 C ATOM 842 O TYR A 56 -4.167 1.730 -4.823 1.00 0.00 O ATOM 843 CB TYR A 56 -5.784 3.066 -7.130 1.00 0.00 C ATOM 844 CG TYR A 56 -6.467 3.026 -8.472 1.00 0.00 C ATOM 845 CD1 TYR A 56 -5.943 3.692 -9.564 1.00 0.00 C ATOM 846 CD2 TYR A 56 -7.659 2.339 -8.638 1.00 0.00 C ATOM 847 CE1 TYR A 56 -6.577 3.666 -10.784 1.00 0.00 C ATOM 848 CE2 TYR A 56 -8.299 2.308 -9.858 1.00 0.00 C ATOM 849 CZ TYR A 56 -7.752 2.971 -10.928 1.00 0.00 C ATOM 850 OH TYR A 56 -8.381 2.940 -12.152 1.00 0.00 O ATOM 0 H TYR A 56 -5.533 0.586 -7.080 1.00 0.00 H new ATOM 0 HA TYR A 56 -3.796 2.823 -7.829 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -6.442 2.616 -6.387 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -5.640 4.107 -6.840 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -5.020 4.242 -9.457 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -8.094 1.819 -7.797 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -6.152 4.191 -11.627 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -9.226 1.765 -9.972 1.00 0.00 H new ATOM 0 HH TYR A 56 -9.199 2.405 -12.086 1.00 0.00 H new ATOM 860 N CYS A 57 -2.891 3.444 -5.593 1.00 0.00 N ATOM 861 CA CYS A 57 -2.106 3.582 -4.352 1.00 0.00 C ATOM 862 C CYS A 57 -3.000 3.896 -3.183 1.00 0.00 C ATOM 863 O CYS A 57 -3.651 4.933 -3.157 1.00 0.00 O ATOM 864 CB CYS A 57 -1.071 4.679 -4.469 1.00 0.00 C ATOM 865 SG CYS A 57 0.077 4.533 -5.875 1.00 0.00 S ATOM 0 H CYS A 57 -2.671 4.134 -6.311 1.00 0.00 H new ATOM 0 HA CYS A 57 -1.604 2.628 -4.191 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.589 5.635 -4.544 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -0.488 4.703 -3.548 1.00 0.00 H new ATOM 870 N ARG A 58 -3.023 3.024 -2.213 1.00 0.00 N ATOM 871 CA ARG A 58 -3.904 3.178 -1.085 1.00 0.00 C ATOM 872 C ARG A 58 -3.119 3.051 0.206 1.00 0.00 C ATOM 873 O ARG A 58 -1.919 2.751 0.174 1.00 0.00 O ATOM 874 CB ARG A 58 -5.052 2.144 -1.131 1.00 0.00 C ATOM 875 CG ARG A 58 -5.995 2.247 -2.294 1.00 0.00 C ATOM 876 CD ARG A 58 -6.423 3.676 -2.546 1.00 0.00 C ATOM 877 NE ARG A 58 -7.707 3.830 -3.259 1.00 0.00 N ATOM 878 CZ ARG A 58 -8.197 3.159 -4.319 1.00 0.00 C ATOM 879 NH1 ARG A 58 -7.512 2.185 -4.869 1.00 0.00 N ATOM 880 NH2 ARG A 58 -9.404 3.468 -4.805 1.00 0.00 N ATOM 0 H ARG A 58 -2.436 2.191 -2.180 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.351 4.171 -1.129 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.613 1.146 -1.134 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.631 2.235 -0.212 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.515 1.849 -3.188 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.875 1.632 -2.104 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.493 4.192 -1.588 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.644 4.176 -3.121 1.00 0.00 H new ATOM 0 HE ARG A 58 -8.319 4.559 -2.891 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.599 1.929 -4.494 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -7.893 1.684 -5.671 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -9.953 4.211 -4.373 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -9.776 2.960 -5.608 1.00 0.00 H new ATOM 894 N ASN A 59 -3.772 3.298 1.323 1.00 0.00 N ATOM 895 CA ASN A 59 -3.132 3.182 2.628 1.00 0.00 C ATOM 896 C ASN A 59 -4.059 2.424 3.574 1.00 0.00 C ATOM 897 O ASN A 59 -4.939 3.013 4.183 1.00 0.00 O ATOM 898 CB ASN A 59 -2.817 4.576 3.228 1.00 0.00 C ATOM 899 CG ASN A 59 -1.986 4.533 4.522 1.00 0.00 C ATOM 900 OD1 ASN A 59 -1.969 3.549 5.269 1.00 0.00 O ATOM 901 ND2 ASN A 59 -1.357 5.634 4.828 1.00 0.00 N ATOM 0 H ASN A 59 -4.751 3.582 1.358 1.00 0.00 H new ATOM 0 HA ASN A 59 -2.192 2.644 2.503 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.281 5.166 2.485 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.755 5.093 3.429 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.835 5.697 5.702 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.387 6.432 4.193 1.00 0.00 H new ATOM 908 N PRO A 60 -3.959 1.104 3.625 1.00 0.00 N ATOM 909 CA PRO A 60 -4.743 0.311 4.568 1.00 0.00 C ATOM 910 C PRO A 60 -4.046 0.139 5.931 1.00 0.00 C ATOM 911 O PRO A 60 -4.672 0.166 6.990 1.00 0.00 O ATOM 912 CB PRO A 60 -4.861 -1.034 3.843 1.00 0.00 C ATOM 913 CG PRO A 60 -3.601 -1.148 3.042 1.00 0.00 C ATOM 914 CD PRO A 60 -3.158 0.258 2.708 1.00 0.00 C ATOM 0 HA PRO A 60 -5.697 0.778 4.813 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -4.956 -1.858 4.550 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -5.742 -1.062 3.201 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -2.830 -1.670 3.609 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -3.773 -1.724 2.133 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -2.089 0.391 2.872 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.353 0.502 1.664 1.00 0.00 H new ATOM 922 N ASP A 61 -2.763 0.002 5.845 1.00 0.00 N ATOM 923 CA ASP A 61 -1.822 -0.299 6.926 1.00 0.00 C ATOM 924 C ASP A 61 -1.757 0.708 8.050 1.00 0.00 C ATOM 925 O ASP A 61 -1.231 0.370 9.123 1.00 0.00 O ATOM 926 CB ASP A 61 -0.444 -0.284 6.348 1.00 0.00 C ATOM 927 CG ASP A 61 -0.212 -1.236 5.271 1.00 0.00 C ATOM 928 OD1 ASP A 61 -0.720 -1.004 4.189 1.00 0.00 O ATOM 929 OD2 ASP A 61 0.581 -2.174 5.466 1.00 0.00 O ATOM 0 H ASP A 61 -2.285 0.102 4.949 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.169 -1.248 7.336 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.234 0.719 5.976 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.270 -0.483 7.147 1.00 0.00 H new ATOM 934 N ARG A 62 -2.224 1.948 7.800 1.00 0.00 N ATOM 935 CA ARG A 62 -2.000 3.108 8.714 1.00 0.00 C ATOM 936 C ARG A 62 -0.557 3.586 8.525 1.00 0.00 C ATOM 937 O ARG A 62 0.008 4.291 9.377 1.00 0.00 O ATOM 938 CB ARG A 62 -2.241 2.762 10.210 1.00 0.00 C ATOM 939 CG ARG A 62 -3.681 2.522 10.624 1.00 0.00 C ATOM 940 CD ARG A 62 -4.297 3.774 11.221 1.00 0.00 C ATOM 941 NE ARG A 62 -4.359 4.887 10.277 1.00 0.00 N ATOM 942 CZ ARG A 62 -3.912 6.133 10.505 1.00 0.00 C ATOM 943 NH1 ARG A 62 -3.124 6.400 11.551 1.00 0.00 N ATOM 944 NH2 ARG A 62 -4.218 7.095 9.656 1.00 0.00 N ATOM 0 H ARG A 62 -2.764 2.182 6.967 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.720 3.885 8.457 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -1.663 1.870 10.452 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.842 3.575 10.817 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.263 2.205 9.759 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.723 1.711 11.351 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.304 3.545 11.571 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.718 4.077 12.093 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.778 4.702 9.366 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -2.854 5.652 12.190 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -2.793 7.352 11.710 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -4.789 6.889 8.836 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.884 8.045 9.819 1.00 0.00 H new ATOM 958 N ASP A 63 0.011 3.199 7.376 1.00 0.00 N ATOM 959 CA ASP A 63 1.377 3.520 6.934 1.00 0.00 C ATOM 960 C ASP A 63 1.536 5.046 6.839 1.00 0.00 C ATOM 961 O ASP A 63 0.548 5.800 6.923 1.00 0.00 O ATOM 962 CB ASP A 63 1.621 2.848 5.548 1.00 0.00 C ATOM 963 CG ASP A 63 3.080 2.609 5.204 1.00 0.00 C ATOM 964 OD1 ASP A 63 3.977 3.327 5.727 1.00 0.00 O ATOM 965 OD2 ASP A 63 3.359 1.655 4.441 1.00 0.00 O ATOM 0 H ASP A 63 -0.491 2.627 6.697 1.00 0.00 H new ATOM 0 HA ASP A 63 2.110 3.143 7.647 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.096 1.893 5.526 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.178 3.474 4.774 1.00 0.00 H new ATOM 970 N LEU A 64 2.734 5.490 6.646 1.00 0.00 N ATOM 971 CA LEU A 64 3.059 6.909 6.660 1.00 0.00 C ATOM 972 C LEU A 64 2.462 7.628 5.456 1.00 0.00 C ATOM 973 O LEU A 64 2.034 8.787 5.547 1.00 0.00 O ATOM 974 CB LEU A 64 4.579 7.100 6.689 1.00 0.00 C ATOM 975 CG LEU A 64 5.329 6.433 7.853 1.00 0.00 C ATOM 976 CD1 LEU A 64 6.822 6.690 7.741 1.00 0.00 C ATOM 977 CD2 LEU A 64 4.804 6.926 9.195 1.00 0.00 C ATOM 0 H LEU A 64 3.536 4.884 6.471 1.00 0.00 H new ATOM 0 HA LEU A 64 2.624 7.345 7.560 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.989 6.718 5.754 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.789 8.169 6.715 1.00 0.00 H new ATOM 0 HG LEU A 64 5.155 5.359 7.795 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.337 6.210 8.573 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.192 6.281 6.801 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.009 7.763 7.768 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.352 6.438 10.001 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.940 8.005 9.265 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.744 6.688 9.281 1.00 0.00 H new ATOM 989 N ARG A 65 2.378 6.933 4.363 1.00 0.00 N ATOM 990 CA ARG A 65 1.901 7.492 3.133 1.00 0.00 C ATOM 991 C ARG A 65 1.390 6.346 2.303 1.00 0.00 C ATOM 992 O ARG A 65 1.896 5.237 2.467 1.00 0.00 O ATOM 993 CB ARG A 65 3.075 8.214 2.436 1.00 0.00 C ATOM 994 CG ARG A 65 2.742 8.909 1.128 1.00 0.00 C ATOM 995 CD ARG A 65 3.941 9.680 0.599 1.00 0.00 C ATOM 996 NE ARG A 65 4.386 10.700 1.556 1.00 0.00 N ATOM 997 CZ ARG A 65 5.145 11.764 1.272 1.00 0.00 C ATOM 998 NH1 ARG A 65 5.570 11.990 0.025 1.00 0.00 N ATOM 999 NH2 ARG A 65 5.482 12.595 2.246 1.00 0.00 N ATOM 0 H ARG A 65 2.642 5.950 4.298 1.00 0.00 H new ATOM 0 HA ARG A 65 1.102 8.218 3.286 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.482 8.954 3.125 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.864 7.486 2.248 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.426 8.171 0.391 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.904 9.590 1.277 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.759 8.989 0.395 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.682 10.155 -0.347 1.00 0.00 H new ATOM 0 HE ARG A 65 4.090 10.587 2.525 1.00 0.00 H new ATOM 0 HH11 ARG A 65 5.316 11.347 -0.725 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.148 12.806 -0.177 1.00 0.00 H new ATOM 0 HH21 ARG A 65 5.163 12.420 3.199 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.060 13.410 2.043 1.00 0.00 H new ATOM 1013 N PRO A 66 0.333 6.546 1.473 1.00 0.00 N ATOM 1014 CA PRO A 66 -0.162 5.499 0.591 1.00 0.00 C ATOM 1015 C PRO A 66 0.929 4.956 -0.286 1.00 0.00 C ATOM 1016 O PRO A 66 1.860 5.674 -0.708 1.00 0.00 O ATOM 1017 CB PRO A 66 -1.224 6.194 -0.240 1.00 0.00 C ATOM 1018 CG PRO A 66 -1.720 7.232 0.673 1.00 0.00 C ATOM 1019 CD PRO A 66 -0.492 7.762 1.358 1.00 0.00 C ATOM 0 HA PRO A 66 -0.547 4.642 1.144 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.809 6.622 -1.152 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.016 5.508 -0.542 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.241 8.020 0.130 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.427 6.820 1.393 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.001 8.538 0.772 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.721 8.195 2.332 1.00 0.00 H new ATOM 1027 N TRP A 67 0.805 3.739 -0.586 1.00 0.00 N ATOM 1028 CA TRP A 67 1.803 3.020 -1.264 1.00 0.00 C ATOM 1029 C TRP A 67 1.128 2.063 -2.198 1.00 0.00 C ATOM 1030 O TRP A 67 -0.108 2.077 -2.307 1.00 0.00 O ATOM 1031 CB TRP A 67 2.686 2.282 -0.232 1.00 0.00 C ATOM 1032 CG TRP A 67 1.903 1.337 0.629 1.00 0.00 C ATOM 1033 CD1 TRP A 67 1.170 1.648 1.744 1.00 0.00 C ATOM 1034 CD2 TRP A 67 1.771 -0.068 0.444 1.00 0.00 C ATOM 1035 NE1 TRP A 67 0.577 0.524 2.232 1.00 0.00 N ATOM 1036 CE2 TRP A 67 0.931 -0.541 1.454 1.00 0.00 C ATOM 1037 CE3 TRP A 67 2.276 -0.969 -0.487 1.00 0.00 C ATOM 1038 CZ2 TRP A 67 0.586 -1.881 1.563 1.00 0.00 C ATOM 1039 CZ3 TRP A 67 1.936 -2.291 -0.376 1.00 0.00 C ATOM 1040 CH2 TRP A 67 1.093 -2.735 0.640 1.00 0.00 C ATOM 0 H TRP A 67 -0.023 3.187 -0.362 1.00 0.00 H new ATOM 0 HA TRP A 67 2.449 3.682 -1.841 1.00 0.00 H new ATOM 0 HB2 TRP A 67 3.465 1.729 -0.756 1.00 0.00 H new ATOM 0 HB3 TRP A 67 3.187 3.014 0.401 1.00 0.00 H new ATOM 0 HD1 TRP A 67 1.077 2.636 2.171 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -0.034 0.484 3.048 1.00 0.00 H new ATOM 0 HE3 TRP A 67 2.924 -0.633 -1.283 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -0.062 -2.230 2.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 2.328 -3.001 -1.089 1.00 0.00 H new ATOM 0 HH2 TRP A 67 0.837 -3.783 0.694 1.00 0.00 H new ATOM 1051 N CYS A 68 1.892 1.254 -2.866 1.00 0.00 N ATOM 1052 CA CYS A 68 1.341 0.296 -3.751 1.00 0.00 C ATOM 1053 C CYS A 68 2.347 -0.816 -3.961 1.00 0.00 C ATOM 1054 O CYS A 68 3.552 -0.620 -3.703 1.00 0.00 O ATOM 1055 CB CYS A 68 0.987 0.964 -5.077 1.00 0.00 C ATOM 1056 SG CYS A 68 -0.688 0.594 -5.644 1.00 0.00 S ATOM 0 H CYS A 68 2.910 1.245 -2.808 1.00 0.00 H new ATOM 0 HA CYS A 68 0.430 -0.125 -3.327 1.00 0.00 H new ATOM 0 HB2 CYS A 68 1.097 2.043 -4.972 1.00 0.00 H new ATOM 0 HB3 CYS A 68 1.699 0.644 -5.838 1.00 0.00 H new ATOM 1061 N PHE A 69 1.873 -1.983 -4.352 1.00 0.00 N ATOM 1062 CA PHE A 69 2.767 -3.064 -4.687 1.00 0.00 C ATOM 1063 C PHE A 69 3.240 -2.848 -6.089 1.00 0.00 C ATOM 1064 O PHE A 69 2.499 -2.340 -6.908 1.00 0.00 O ATOM 1065 CB PHE A 69 2.091 -4.431 -4.576 1.00 0.00 C ATOM 1066 CG PHE A 69 1.955 -4.969 -3.180 1.00 0.00 C ATOM 1067 CD1 PHE A 69 3.064 -5.472 -2.510 1.00 0.00 C ATOM 1068 CD2 PHE A 69 0.731 -4.993 -2.546 1.00 0.00 C ATOM 1069 CE1 PHE A 69 2.949 -5.982 -1.231 1.00 0.00 C ATOM 1070 CE2 PHE A 69 0.609 -5.505 -1.269 1.00 0.00 C ATOM 1071 CZ PHE A 69 1.718 -6.001 -0.608 1.00 0.00 C ATOM 0 H PHE A 69 0.881 -2.202 -4.444 1.00 0.00 H new ATOM 0 HA PHE A 69 3.598 -3.064 -3.982 1.00 0.00 H new ATOM 0 HB2 PHE A 69 1.098 -4.364 -5.020 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.658 -5.148 -5.170 1.00 0.00 H new ATOM 0 HD1 PHE A 69 4.029 -5.464 -2.996 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -0.141 -4.608 -3.053 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.820 -6.365 -0.720 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -0.356 -5.518 -0.785 1.00 0.00 H new ATOM 0 HZ PHE A 69 1.621 -6.401 0.390 1.00 0.00 H new ATOM 1081 N THR A 70 4.444 -3.187 -6.371 1.00 0.00 N ATOM 1082 CA THR A 70 4.954 -2.982 -7.686 1.00 0.00 C ATOM 1083 C THR A 70 4.665 -4.178 -8.584 1.00 0.00 C ATOM 1084 O THR A 70 4.450 -5.300 -8.105 1.00 0.00 O ATOM 1085 CB THR A 70 6.447 -2.770 -7.628 1.00 0.00 C ATOM 1086 OG1 THR A 70 6.843 -2.596 -6.259 1.00 0.00 O ATOM 1087 CG2 THR A 70 6.830 -1.549 -8.428 1.00 0.00 C ATOM 0 H THR A 70 5.099 -3.608 -5.712 1.00 0.00 H new ATOM 0 HA THR A 70 4.461 -2.102 -8.100 1.00 0.00 H new ATOM 0 HB THR A 70 6.952 -3.638 -8.051 1.00 0.00 H new ATOM 0 HG1 THR A 70 7.290 -3.408 -5.942 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.909 -1.406 -8.379 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.529 -1.685 -9.467 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.329 -0.673 -8.017 1.00 0.00 H new ATOM 1095 N THR A 71 4.650 -3.931 -9.869 1.00 0.00 N ATOM 1096 CA THR A 71 4.484 -4.974 -10.852 1.00 0.00 C ATOM 1097 C THR A 71 5.820 -5.656 -11.161 1.00 0.00 C ATOM 1098 O THR A 71 5.860 -6.741 -11.754 1.00 0.00 O ATOM 1099 CB THR A 71 3.876 -4.402 -12.143 1.00 0.00 C ATOM 1100 OG1 THR A 71 4.472 -3.115 -12.429 1.00 0.00 O ATOM 1101 CG2 THR A 71 2.369 -4.261 -12.026 1.00 0.00 C ATOM 0 H THR A 71 4.753 -2.997 -10.266 1.00 0.00 H new ATOM 0 HA THR A 71 3.805 -5.720 -10.439 1.00 0.00 H new ATOM 0 HB THR A 71 4.086 -5.094 -12.958 1.00 0.00 H new ATOM 0 HG1 THR A 71 4.009 -2.419 -11.917 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.968 -3.854 -12.955 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.926 -5.239 -11.837 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.129 -3.589 -11.202 1.00 0.00 H new ATOM 1109 N ASP A 72 6.910 -5.033 -10.739 1.00 0.00 N ATOM 1110 CA ASP A 72 8.220 -5.568 -10.995 1.00 0.00 C ATOM 1111 C ASP A 72 8.540 -6.651 -9.973 1.00 0.00 C ATOM 1112 O ASP A 72 8.308 -6.462 -8.793 1.00 0.00 O ATOM 1113 CB ASP A 72 9.267 -4.456 -10.957 1.00 0.00 C ATOM 1114 CG ASP A 72 10.649 -4.986 -11.199 1.00 0.00 C ATOM 1115 OD1 ASP A 72 10.991 -5.266 -12.367 1.00 0.00 O ATOM 1116 OD2 ASP A 72 11.405 -5.155 -10.237 1.00 0.00 O ATOM 0 H ASP A 72 6.903 -4.156 -10.218 1.00 0.00 H new ATOM 0 HA ASP A 72 8.238 -6.011 -11.991 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.028 -3.705 -11.710 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.233 -3.957 -9.988 1.00 0.00 H new ATOM 1121 N PRO A 73 9.037 -7.817 -10.414 1.00 0.00 N ATOM 1122 CA PRO A 73 9.347 -8.937 -9.519 1.00 0.00 C ATOM 1123 C PRO A 73 10.479 -8.663 -8.517 1.00 0.00 C ATOM 1124 O PRO A 73 10.645 -9.416 -7.539 1.00 0.00 O ATOM 1125 CB PRO A 73 9.725 -10.085 -10.453 1.00 0.00 C ATOM 1126 CG PRO A 73 10.041 -9.453 -11.765 1.00 0.00 C ATOM 1127 CD PRO A 73 9.281 -8.160 -11.829 1.00 0.00 C ATOM 0 HA PRO A 73 8.486 -9.149 -8.885 1.00 0.00 H new ATOM 0 HB2 PRO A 73 10.583 -10.636 -10.068 1.00 0.00 H new ATOM 0 HB3 PRO A 73 8.905 -10.797 -10.549 1.00 0.00 H new ATOM 0 HG2 PRO A 73 11.112 -9.275 -11.858 1.00 0.00 H new ATOM 0 HG3 PRO A 73 9.754 -10.109 -12.587 1.00 0.00 H new ATOM 0 HD2 PRO A 73 9.856 -7.384 -12.334 1.00 0.00 H new ATOM 0 HD3 PRO A 73 8.347 -8.273 -12.379 1.00 0.00 H new ATOM 1135 N ASN A 74 11.263 -7.642 -8.759 1.00 0.00 N ATOM 1136 CA ASN A 74 12.308 -7.277 -7.841 1.00 0.00 C ATOM 1137 C ASN A 74 11.797 -6.234 -6.870 1.00 0.00 C ATOM 1138 O ASN A 74 12.072 -6.296 -5.680 1.00 0.00 O ATOM 1139 CB ASN A 74 13.531 -6.754 -8.588 1.00 0.00 C ATOM 1140 CG ASN A 74 14.715 -6.509 -7.683 1.00 0.00 C ATOM 1141 OD1 ASN A 74 14.913 -5.415 -7.149 1.00 0.00 O ATOM 1142 ND2 ASN A 74 15.506 -7.526 -7.503 1.00 0.00 N ATOM 0 H ASN A 74 11.196 -7.049 -9.586 1.00 0.00 H new ATOM 0 HA ASN A 74 12.608 -8.165 -7.285 1.00 0.00 H new ATOM 0 HB2 ASN A 74 13.813 -7.471 -9.360 1.00 0.00 H new ATOM 0 HB3 ASN A 74 13.270 -5.825 -9.095 1.00 0.00 H new ATOM 0 HD21 ASN A 74 16.325 -7.435 -6.902 1.00 0.00 H new ATOM 0 HD22 ASN A 74 15.307 -8.414 -7.963 1.00 0.00 H new ATOM 1149 N LYS A 75 11.018 -5.301 -7.363 1.00 0.00 N ATOM 1150 CA LYS A 75 10.510 -4.266 -6.508 1.00 0.00 C ATOM 1151 C LYS A 75 9.298 -4.797 -5.783 1.00 0.00 C ATOM 1152 O LYS A 75 8.273 -5.042 -6.390 1.00 0.00 O ATOM 1153 CB LYS A 75 10.096 -3.038 -7.283 1.00 0.00 C ATOM 1154 CG LYS A 75 9.961 -1.811 -6.386 1.00 0.00 C ATOM 1155 CD LYS A 75 11.312 -1.288 -5.928 1.00 0.00 C ATOM 1156 CE LYS A 75 11.159 -0.098 -4.997 1.00 0.00 C ATOM 1157 NZ LYS A 75 12.461 0.514 -4.679 1.00 0.00 N ATOM 0 H LYS A 75 10.727 -5.240 -8.339 1.00 0.00 H new ATOM 0 HA LYS A 75 11.304 -3.981 -5.818 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.831 -2.837 -8.063 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.146 -3.228 -7.782 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.432 -1.025 -6.925 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.356 -2.064 -5.515 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.858 -2.082 -5.419 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.905 -0.999 -6.796 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.510 0.646 -5.460 1.00 0.00 H new ATOM 0 HE3 LYS A 75 10.672 -0.417 -4.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.318 1.323 -4.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.071 -0.189 -4.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 12.915 0.840 -5.556 1.00 0.00 H new ATOM 1171 N ARG A 76 9.389 -4.929 -4.501 1.00 0.00 N ATOM 1172 CA ARG A 76 8.302 -5.538 -3.748 1.00 0.00 C ATOM 1173 C ARG A 76 7.154 -4.562 -3.593 1.00 0.00 C ATOM 1174 O ARG A 76 6.039 -4.807 -4.060 1.00 0.00 O ATOM 1175 CB ARG A 76 8.786 -6.049 -2.403 1.00 0.00 C ATOM 1176 CG ARG A 76 7.789 -6.959 -1.712 1.00 0.00 C ATOM 1177 CD ARG A 76 8.388 -7.589 -0.480 1.00 0.00 C ATOM 1178 NE ARG A 76 7.460 -8.523 0.158 1.00 0.00 N ATOM 1179 CZ ARG A 76 7.781 -9.374 1.124 1.00 0.00 C ATOM 1180 NH1 ARG A 76 9.050 -9.532 1.476 1.00 0.00 N ATOM 1181 NH2 ARG A 76 6.833 -10.113 1.685 1.00 0.00 N ATOM 0 H ARG A 76 10.189 -4.632 -3.942 1.00 0.00 H new ATOM 0 HA ARG A 76 7.937 -6.400 -4.307 1.00 0.00 H new ATOM 0 HB2 ARG A 76 9.723 -6.588 -2.543 1.00 0.00 H new ATOM 0 HB3 ARG A 76 9.001 -5.199 -1.755 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.902 -6.389 -1.437 1.00 0.00 H new ATOM 0 HG3 ARG A 76 7.466 -7.739 -2.402 1.00 0.00 H new ATOM 0 HD2 ARG A 76 9.305 -8.114 -0.749 1.00 0.00 H new ATOM 0 HD3 ARG A 76 8.664 -6.809 0.230 1.00 0.00 H new ATOM 0 HE ARG A 76 6.492 -8.520 -0.164 1.00 0.00 H new ATOM 0 HH11 ARG A 76 9.780 -8.999 1.004 1.00 0.00 H new ATOM 0 HH12 ARG A 76 9.296 -10.187 2.219 1.00 0.00 H new ATOM 0 HH21 ARG A 76 5.866 -10.025 1.373 1.00 0.00 H new ATOM 0 HH22 ARG A 76 7.071 -10.770 2.428 1.00 0.00 H new ATOM 1195 N TRP A 77 7.438 -3.461 -2.975 1.00 0.00 N ATOM 1196 CA TRP A 77 6.489 -2.390 -2.836 1.00 0.00 C ATOM 1197 C TRP A 77 7.237 -1.106 -2.841 1.00 0.00 C ATOM 1198 O TRP A 77 8.483 -1.104 -2.719 1.00 0.00 O ATOM 1199 CB TRP A 77 5.628 -2.491 -1.544 1.00 0.00 C ATOM 1200 CG TRP A 77 6.396 -2.436 -0.231 1.00 0.00 C ATOM 1201 CD1 TRP A 77 6.894 -3.487 0.481 1.00 0.00 C ATOM 1202 CD2 TRP A 77 6.715 -1.257 0.534 1.00 0.00 C ATOM 1203 NE1 TRP A 77 7.532 -3.030 1.611 1.00 0.00 N ATOM 1204 CE2 TRP A 77 7.430 -1.672 1.667 1.00 0.00 C ATOM 1205 CE3 TRP A 77 6.474 0.108 0.362 1.00 0.00 C ATOM 1206 CZ2 TRP A 77 7.904 -0.778 2.621 1.00 0.00 C ATOM 1207 CZ3 TRP A 77 6.942 0.991 1.307 1.00 0.00 C ATOM 1208 CH2 TRP A 77 7.651 0.546 2.425 1.00 0.00 C ATOM 0 H TRP A 77 8.344 -3.272 -2.546 1.00 0.00 H new ATOM 0 HA TRP A 77 5.791 -2.452 -3.671 1.00 0.00 H new ATOM 0 HB2 TRP A 77 4.899 -1.680 -1.551 1.00 0.00 H new ATOM 0 HB3 TRP A 77 5.067 -3.425 -1.576 1.00 0.00 H new ATOM 0 HD1 TRP A 77 6.801 -4.525 0.199 1.00 0.00 H new ATOM 0 HE1 TRP A 77 8.007 -3.615 2.299 1.00 0.00 H new ATOM 0 HE3 TRP A 77 5.929 0.464 -0.499 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 8.453 -1.121 3.486 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 6.758 2.048 1.182 1.00 0.00 H new ATOM 0 HH2 TRP A 77 8.006 1.266 3.148 1.00 0.00 H new ATOM 1219 N GLU A 78 6.520 -0.042 -2.952 1.00 0.00 N ATOM 1220 CA GLU A 78 7.105 1.264 -2.909 1.00 0.00 C ATOM 1221 C GLU A 78 6.048 2.254 -2.469 1.00 0.00 C ATOM 1222 O GLU A 78 4.842 2.028 -2.697 1.00 0.00 O ATOM 1223 CB GLU A 78 7.658 1.674 -4.280 1.00 0.00 C ATOM 1224 CG GLU A 78 8.569 2.883 -4.220 1.00 0.00 C ATOM 1225 CD GLU A 78 9.166 3.233 -5.544 1.00 0.00 C ATOM 1226 OE1 GLU A 78 8.517 3.925 -6.328 1.00 0.00 O ATOM 1227 OE2 GLU A 78 10.316 2.854 -5.808 1.00 0.00 O ATOM 0 H GLU A 78 5.508 -0.047 -3.076 1.00 0.00 H new ATOM 0 HA GLU A 78 7.936 1.254 -2.204 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.206 0.835 -4.709 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.826 1.887 -4.951 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.005 3.737 -3.845 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.370 2.692 -3.506 1.00 0.00 H new ATOM 1234 N TYR A 79 6.480 3.308 -1.799 1.00 0.00 N ATOM 1235 CA TYR A 79 5.608 4.386 -1.446 1.00 0.00 C ATOM 1236 C TYR A 79 5.128 5.067 -2.690 1.00 0.00 C ATOM 1237 O TYR A 79 5.822 5.091 -3.710 1.00 0.00 O ATOM 1238 CB TYR A 79 6.303 5.406 -0.544 1.00 0.00 C ATOM 1239 CG TYR A 79 6.340 5.035 0.915 1.00 0.00 C ATOM 1240 CD1 TYR A 79 5.231 5.260 1.709 1.00 0.00 C ATOM 1241 CD2 TYR A 79 7.465 4.474 1.501 1.00 0.00 C ATOM 1242 CE1 TYR A 79 5.230 4.943 3.044 1.00 0.00 C ATOM 1243 CE2 TYR A 79 7.473 4.151 2.846 1.00 0.00 C ATOM 1244 CZ TYR A 79 6.346 4.390 3.609 1.00 0.00 C ATOM 1245 OH TYR A 79 6.341 4.076 4.953 1.00 0.00 O ATOM 0 H TYR A 79 7.445 3.429 -1.491 1.00 0.00 H new ATOM 0 HA TYR A 79 4.766 3.969 -0.894 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.325 5.544 -0.896 1.00 0.00 H new ATOM 0 HB3 TYR A 79 5.798 6.366 -0.648 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.346 5.695 1.269 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.344 4.287 0.901 1.00 0.00 H new ATOM 0 HE1 TYR A 79 4.353 5.129 3.645 1.00 0.00 H new ATOM 0 HE2 TYR A 79 8.353 3.716 3.296 1.00 0.00 H new ATOM 0 HH TYR A 79 5.433 4.172 5.308 1.00 0.00 H new ATOM 1255 N CYS A 80 3.974 5.591 -2.627 1.00 0.00 N ATOM 1256 CA CYS A 80 3.415 6.277 -3.735 1.00 0.00 C ATOM 1257 C CYS A 80 3.443 7.739 -3.377 1.00 0.00 C ATOM 1258 O CYS A 80 3.239 8.098 -2.209 1.00 0.00 O ATOM 1259 CB CYS A 80 1.991 5.818 -3.942 1.00 0.00 C ATOM 1260 SG CYS A 80 1.313 6.121 -5.589 1.00 0.00 S ATOM 0 H CYS A 80 3.376 5.561 -1.801 1.00 0.00 H new ATOM 0 HA CYS A 80 3.968 6.086 -4.655 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.938 4.749 -3.736 1.00 0.00 H new ATOM 0 HB3 CYS A 80 1.356 6.315 -3.209 1.00 0.00 H new ATOM 1265 N ASP A 81 3.704 8.579 -4.317 1.00 0.00 N ATOM 1266 CA ASP A 81 3.793 9.988 -4.008 1.00 0.00 C ATOM 1267 C ASP A 81 2.465 10.630 -4.215 1.00 0.00 C ATOM 1268 O ASP A 81 2.101 10.999 -5.335 1.00 0.00 O ATOM 1269 CB ASP A 81 4.896 10.718 -4.780 1.00 0.00 C ATOM 1270 CG ASP A 81 4.995 12.181 -4.377 1.00 0.00 C ATOM 1271 OD1 ASP A 81 5.276 12.467 -3.179 1.00 0.00 O ATOM 1272 OD2 ASP A 81 4.832 13.066 -5.233 1.00 0.00 O ATOM 0 H ASP A 81 3.859 8.334 -5.295 1.00 0.00 H new ATOM 0 HA ASP A 81 4.078 10.070 -2.959 1.00 0.00 H new ATOM 0 HB2 ASP A 81 5.852 10.226 -4.600 1.00 0.00 H new ATOM 0 HB3 ASP A 81 4.698 10.648 -5.850 1.00 0.00 H new ATOM 1277 N ILE A 82 1.700 10.638 -3.158 1.00 0.00 N ATOM 1278 CA ILE A 82 0.404 11.223 -3.160 1.00 0.00 C ATOM 1279 C ILE A 82 0.515 12.661 -2.749 1.00 0.00 C ATOM 1280 O ILE A 82 1.020 12.955 -1.651 1.00 0.00 O ATOM 1281 CB ILE A 82 -0.515 10.522 -2.144 1.00 0.00 C ATOM 1282 CG1 ILE A 82 -0.509 9.011 -2.374 1.00 0.00 C ATOM 1283 CG2 ILE A 82 -1.948 11.087 -2.214 1.00 0.00 C ATOM 1284 CD1 ILE A 82 -1.074 8.567 -3.700 1.00 0.00 C ATOM 0 H ILE A 82 1.971 10.231 -2.263 1.00 0.00 H new ATOM 0 HA ILE A 82 -0.012 11.124 -4.163 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.131 10.717 -1.143 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.516 8.650 -2.294 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.078 8.535 -1.576 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -2.577 10.575 -1.486 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.930 12.154 -1.991 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.352 10.933 -3.215 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.027 7.480 -3.770 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.112 8.891 -3.780 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.493 9.008 -4.509 1.00 0.00 H new ATOM 1494 N ALA B 108 -4.626 -5.054 13.413 1.00 0.00 N ATOM 1495 CA ALA B 108 -3.379 -5.593 13.907 1.00 0.00 C ATOM 1496 C ALA B 108 -2.682 -6.337 12.818 1.00 0.00 C ATOM 1497 O ALA B 108 -1.473 -6.212 12.656 1.00 0.00 O ATOM 1498 CB ALA B 108 -3.612 -6.500 15.068 1.00 0.00 C ATOM 0 HA ALA B 108 -2.755 -4.763 14.239 1.00 0.00 H new ATOM 0 HB1 ALA B 108 -2.658 -6.892 15.421 1.00 0.00 H new ATOM 0 HB2 ALA B 108 -4.096 -5.945 15.872 1.00 0.00 H new ATOM 0 HB3 ALA B 108 -4.253 -7.327 14.761 1.00 0.00 H new ATOM 1504 N GLU B 109 -3.458 -7.108 12.059 1.00 0.00 N ATOM 1505 CA GLU B 109 -2.929 -7.839 10.926 1.00 0.00 C ATOM 1506 C GLU B 109 -2.350 -6.823 9.951 1.00 0.00 C ATOM 1507 O GLU B 109 -1.219 -6.954 9.505 1.00 0.00 O ATOM 1508 CB GLU B 109 -4.023 -8.690 10.266 1.00 0.00 C ATOM 1509 CG GLU B 109 -3.500 -9.625 9.187 1.00 0.00 C ATOM 1510 CD GLU B 109 -4.579 -10.486 8.583 1.00 0.00 C ATOM 1511 OE1 GLU B 109 -5.011 -11.460 9.223 1.00 0.00 O ATOM 1512 OE2 GLU B 109 -5.018 -10.212 7.453 1.00 0.00 O ATOM 0 H GLU B 109 -4.458 -7.238 12.215 1.00 0.00 H new ATOM 0 HA GLU B 109 -2.149 -8.529 11.248 1.00 0.00 H new ATOM 0 HB2 GLU B 109 -4.525 -9.279 11.033 1.00 0.00 H new ATOM 0 HB3 GLU B 109 -4.772 -8.029 9.830 1.00 0.00 H new ATOM 0 HG2 GLU B 109 -3.029 -9.036 8.400 1.00 0.00 H new ATOM 0 HG3 GLU B 109 -2.727 -10.265 9.612 1.00 0.00 H new ATOM 1519 N LEU B 110 -3.122 -5.764 9.713 1.00 0.00 N ATOM 1520 CA LEU B 110 -2.707 -4.629 8.900 1.00 0.00 C ATOM 1521 C LEU B 110 -1.391 -4.040 9.391 1.00 0.00 C ATOM 1522 O LEU B 110 -0.451 -3.886 8.623 1.00 0.00 O ATOM 1523 CB LEU B 110 -3.808 -3.558 8.904 1.00 0.00 C ATOM 1524 CG LEU B 110 -4.987 -3.788 7.961 1.00 0.00 C ATOM 1525 CD1 LEU B 110 -6.052 -2.724 8.170 1.00 0.00 C ATOM 1526 CD2 LEU B 110 -4.514 -3.776 6.515 1.00 0.00 C ATOM 0 H LEU B 110 -4.067 -5.672 10.086 1.00 0.00 H new ATOM 0 HA LEU B 110 -2.548 -4.981 7.881 1.00 0.00 H new ATOM 0 HB2 LEU B 110 -4.195 -3.471 9.919 1.00 0.00 H new ATOM 0 HB3 LEU B 110 -3.353 -2.600 8.653 1.00 0.00 H new ATOM 0 HG LEU B 110 -5.421 -4.763 8.183 1.00 0.00 H new ATOM 0 HD11 LEU B 110 -6.884 -2.904 7.490 1.00 0.00 H new ATOM 0 HD12 LEU B 110 -6.409 -2.764 9.199 1.00 0.00 H new ATOM 0 HD13 LEU B 110 -5.627 -1.740 7.971 1.00 0.00 H new ATOM 0 HD21 LEU B 110 -5.364 -3.941 5.853 1.00 0.00 H new ATOM 0 HD22 LEU B 110 -4.060 -2.811 6.289 1.00 0.00 H new ATOM 0 HD23 LEU B 110 -3.779 -4.567 6.366 1.00 0.00 H new ATOM 1538 N GLN B 111 -1.320 -3.765 10.676 1.00 0.00 N ATOM 1539 CA GLN B 111 -0.135 -3.168 11.271 1.00 0.00 C ATOM 1540 C GLN B 111 1.064 -4.101 11.189 1.00 0.00 C ATOM 1541 O GLN B 111 2.176 -3.666 10.902 1.00 0.00 O ATOM 1542 CB GLN B 111 -0.391 -2.778 12.724 1.00 0.00 C ATOM 1543 CG GLN B 111 0.764 -2.034 13.377 1.00 0.00 C ATOM 1544 CD GLN B 111 0.483 -1.662 14.812 1.00 0.00 C ATOM 1545 OE1 GLN B 111 -0.059 -0.599 15.096 1.00 0.00 O ATOM 1546 NE2 GLN B 111 0.871 -2.512 15.725 1.00 0.00 N ATOM 0 H GLN B 111 -2.075 -3.946 11.337 1.00 0.00 H new ATOM 0 HA GLN B 111 0.093 -2.269 10.699 1.00 0.00 H new ATOM 0 HB2 GLN B 111 -1.284 -2.155 12.770 1.00 0.00 H new ATOM 0 HB3 GLN B 111 -0.601 -3.679 13.300 1.00 0.00 H new ATOM 0 HG2 GLN B 111 1.659 -2.654 13.336 1.00 0.00 H new ATOM 0 HG3 GLN B 111 0.976 -1.130 12.807 1.00 0.00 H new ATOM 0 HE21 GLN B 111 1.318 -3.386 15.450 1.00 0.00 H new ATOM 0 HE22 GLN B 111 0.726 -2.301 16.712 1.00 0.00 H new ATOM 1555 N ARG B 112 0.838 -5.372 11.420 1.00 0.00 N ATOM 1556 CA ARG B 112 1.910 -6.334 11.414 1.00 0.00 C ATOM 1557 C ARG B 112 2.384 -6.579 9.992 1.00 0.00 C ATOM 1558 O ARG B 112 3.575 -6.709 9.764 1.00 0.00 O ATOM 1559 CB ARG B 112 1.493 -7.636 12.107 1.00 0.00 C ATOM 1560 CG ARG B 112 2.617 -8.246 12.942 1.00 0.00 C ATOM 1561 CD ARG B 112 3.769 -8.687 12.066 1.00 0.00 C ATOM 1562 NE ARG B 112 5.048 -8.797 12.774 1.00 0.00 N ATOM 1563 CZ ARG B 112 6.224 -8.325 12.284 1.00 0.00 C ATOM 1564 NH1 ARG B 112 6.267 -7.721 11.108 1.00 0.00 N ATOM 1565 NH2 ARG B 112 7.347 -8.456 12.960 1.00 0.00 N ATOM 0 H ARG B 112 -0.083 -5.764 11.615 1.00 0.00 H new ATOM 0 HA ARG B 112 2.746 -5.927 11.984 1.00 0.00 H new ATOM 0 HB2 ARG B 112 0.634 -7.442 12.749 1.00 0.00 H new ATOM 0 HB3 ARG B 112 1.173 -8.357 11.355 1.00 0.00 H new ATOM 0 HG2 ARG B 112 2.969 -7.517 13.671 1.00 0.00 H new ATOM 0 HG3 ARG B 112 2.235 -9.099 13.503 1.00 0.00 H new ATOM 0 HD2 ARG B 112 3.526 -9.653 11.623 1.00 0.00 H new ATOM 0 HD3 ARG B 112 3.880 -7.979 11.245 1.00 0.00 H new ATOM 0 HE ARG B 112 5.055 -9.254 13.686 1.00 0.00 H new ATOM 0 HH11 ARG B 112 5.413 -7.607 10.562 1.00 0.00 H new ATOM 0 HH12 ARG B 112 7.154 -7.369 10.747 1.00 0.00 H new ATOM 0 HH21 ARG B 112 7.344 -8.919 13.869 1.00 0.00 H new ATOM 0 HH22 ARG B 112 8.219 -8.095 12.574 1.00 0.00 H new ATOM 1579 N LEU B 113 1.464 -6.615 9.045 1.00 0.00 N ATOM 1580 CA LEU B 113 1.832 -6.760 7.630 1.00 0.00 C ATOM 1581 C LEU B 113 2.596 -5.524 7.167 1.00 0.00 C ATOM 1582 O LEU B 113 3.571 -5.630 6.399 1.00 0.00 O ATOM 1583 CB LEU B 113 0.610 -7.001 6.733 1.00 0.00 C ATOM 1584 CG LEU B 113 -0.181 -8.295 6.966 1.00 0.00 C ATOM 1585 CD1 LEU B 113 -1.375 -8.359 6.028 1.00 0.00 C ATOM 1586 CD2 LEU B 113 0.707 -9.522 6.787 1.00 0.00 C ATOM 0 H LEU B 113 0.461 -6.547 9.218 1.00 0.00 H new ATOM 0 HA LEU B 113 2.470 -7.639 7.542 1.00 0.00 H new ATOM 0 HB2 LEU B 113 -0.072 -6.160 6.857 1.00 0.00 H new ATOM 0 HB3 LEU B 113 0.944 -6.990 5.695 1.00 0.00 H new ATOM 0 HG LEU B 113 -0.543 -8.291 7.994 1.00 0.00 H new ATOM 0 HD11 LEU B 113 -1.927 -9.282 6.204 1.00 0.00 H new ATOM 0 HD12 LEU B 113 -2.028 -7.505 6.211 1.00 0.00 H new ATOM 0 HD13 LEU B 113 -1.028 -8.335 4.995 1.00 0.00 H new ATOM 0 HD21 LEU B 113 0.120 -10.424 6.958 1.00 0.00 H new ATOM 0 HD22 LEU B 113 1.107 -9.537 5.773 1.00 0.00 H new ATOM 0 HD23 LEU B 113 1.529 -9.483 7.501 1.00 0.00 H new ATOM 1598 N LYS B 114 2.154 -4.364 7.654 1.00 0.00 N ATOM 1599 CA LYS B 114 2.823 -3.094 7.427 1.00 0.00 C ATOM 1600 C LYS B 114 4.241 -3.213 7.917 1.00 0.00 C ATOM 1601 O LYS B 114 5.193 -3.075 7.146 1.00 0.00 O ATOM 1602 CB LYS B 114 2.111 -1.995 8.220 1.00 0.00 C ATOM 1603 CG LYS B 114 2.657 -0.585 8.018 1.00 0.00 C ATOM 1604 CD LYS B 114 1.897 0.443 8.858 1.00 0.00 C ATOM 1605 CE LYS B 114 2.039 0.198 10.345 1.00 0.00 C ATOM 1606 NZ LYS B 114 1.194 1.121 11.118 1.00 0.00 N ATOM 0 H LYS B 114 1.311 -4.285 8.223 1.00 0.00 H new ATOM 0 HA LYS B 114 2.805 -2.845 6.366 1.00 0.00 H new ATOM 0 HB2 LYS B 114 1.055 -2.000 7.948 1.00 0.00 H new ATOM 0 HB3 LYS B 114 2.168 -2.240 9.280 1.00 0.00 H new ATOM 0 HG2 LYS B 114 3.714 -0.563 8.284 1.00 0.00 H new ATOM 0 HG3 LYS B 114 2.588 -0.316 6.964 1.00 0.00 H new ATOM 0 HD2 LYS B 114 2.263 1.442 8.621 1.00 0.00 H new ATOM 0 HD3 LYS B 114 0.841 0.418 8.588 1.00 0.00 H new ATOM 0 HE2 LYS B 114 1.763 -0.831 10.575 1.00 0.00 H new ATOM 0 HE3 LYS B 114 3.081 0.322 10.639 1.00 0.00 H new ATOM 0 HZ1 LYS B 114 1.434 1.049 12.127 1.00 0.00 H new ATOM 0 HZ2 LYS B 114 1.356 2.095 10.792 1.00 0.00 H new ATOM 0 HZ3 LYS B 114 0.193 0.872 10.982 1.00 0.00 H new ATOM 1620 N ASN B 115 4.354 -3.529 9.193 1.00 0.00 N ATOM 1621 CA ASN B 115 5.620 -3.734 9.890 1.00 0.00 C ATOM 1622 C ASN B 115 6.473 -4.750 9.184 1.00 0.00 C ATOM 1623 O ASN B 115 7.658 -4.560 9.057 1.00 0.00 O ATOM 1624 CB ASN B 115 5.355 -4.147 11.356 1.00 0.00 C ATOM 1625 CG ASN B 115 5.099 -2.962 12.275 1.00 0.00 C ATOM 1626 OD1 ASN B 115 5.647 -1.880 12.077 1.00 0.00 O ATOM 1627 ND2 ASN B 115 4.275 -3.139 13.273 1.00 0.00 N ATOM 0 H ASN B 115 3.542 -3.656 9.798 1.00 0.00 H new ATOM 0 HA ASN B 115 6.172 -2.794 9.889 1.00 0.00 H new ATOM 0 HB2 ASN B 115 4.495 -4.816 11.388 1.00 0.00 H new ATOM 0 HB3 ASN B 115 6.211 -4.709 11.729 1.00 0.00 H new ATOM 0 HD21 ASN B 115 4.073 -2.369 13.910 1.00 0.00 H new ATOM 0 HD22 ASN B 115 3.833 -4.047 13.415 1.00 0.00 H new ATOM 1634 N GLU B 116 5.846 -5.798 8.685 1.00 0.00 N ATOM 1635 CA GLU B 116 6.520 -6.842 7.939 1.00 0.00 C ATOM 1636 C GLU B 116 7.180 -6.255 6.726 1.00 0.00 C ATOM 1637 O GLU B 116 8.371 -6.334 6.582 1.00 0.00 O ATOM 1638 CB GLU B 116 5.532 -7.927 7.530 1.00 0.00 C ATOM 1639 CG GLU B 116 6.145 -9.005 6.686 1.00 0.00 C ATOM 1640 CD GLU B 116 5.193 -10.111 6.359 1.00 0.00 C ATOM 1641 OE1 GLU B 116 4.932 -10.966 7.220 1.00 0.00 O ATOM 1642 OE2 GLU B 116 4.684 -10.145 5.213 1.00 0.00 O ATOM 0 H GLU B 116 4.843 -5.950 8.788 1.00 0.00 H new ATOM 0 HA GLU B 116 7.282 -7.293 8.575 1.00 0.00 H new ATOM 0 HB2 GLU B 116 5.106 -8.377 8.427 1.00 0.00 H new ATOM 0 HB3 GLU B 116 4.709 -7.470 6.981 1.00 0.00 H new ATOM 0 HG2 GLU B 116 6.514 -8.566 5.759 1.00 0.00 H new ATOM 0 HG3 GLU B 116 7.008 -9.419 7.208 1.00 0.00 H new ATOM 1649 N ARG B 117 6.384 -5.642 5.877 1.00 0.00 N ATOM 1650 CA ARG B 117 6.887 -4.956 4.680 1.00 0.00 C ATOM 1651 C ARG B 117 7.963 -3.945 5.020 1.00 0.00 C ATOM 1652 O ARG B 117 8.893 -3.763 4.258 1.00 0.00 O ATOM 1653 CB ARG B 117 5.812 -4.188 3.953 1.00 0.00 C ATOM 1654 CG ARG B 117 4.730 -4.972 3.274 1.00 0.00 C ATOM 1655 CD ARG B 117 3.847 -4.007 2.506 1.00 0.00 C ATOM 1656 NE ARG B 117 3.192 -3.050 3.404 1.00 0.00 N ATOM 1657 CZ ARG B 117 3.385 -1.711 3.464 1.00 0.00 C ATOM 1658 NH1 ARG B 117 4.291 -1.112 2.710 1.00 0.00 N ATOM 1659 NH2 ARG B 117 2.654 -0.982 4.262 1.00 0.00 N ATOM 0 H ARG B 117 5.371 -5.598 5.986 1.00 0.00 H new ATOM 0 HA ARG B 117 7.277 -5.756 4.051 1.00 0.00 H new ATOM 0 HB2 ARG B 117 5.339 -3.515 4.668 1.00 0.00 H new ATOM 0 HB3 ARG B 117 6.296 -3.565 3.201 1.00 0.00 H new ATOM 0 HG2 ARG B 117 5.163 -5.709 2.598 1.00 0.00 H new ATOM 0 HG3 ARG B 117 4.142 -5.521 4.009 1.00 0.00 H new ATOM 0 HD2 ARG B 117 4.447 -3.468 1.772 1.00 0.00 H new ATOM 0 HD3 ARG B 117 3.091 -4.565 1.953 1.00 0.00 H new ATOM 0 HE ARG B 117 2.513 -3.438 4.059 1.00 0.00 H new ATOM 0 HH11 ARG B 117 4.862 -1.660 2.066 1.00 0.00 H new ATOM 0 HH12 ARG B 117 4.419 -0.102 2.772 1.00 0.00 H new ATOM 0 HH21 ARG B 117 1.937 -1.421 4.840 1.00 0.00 H new ATOM 0 HH22 ARG B 117 2.799 0.027 4.307 1.00 0.00 H new ATOM 1673 N HIS B 118 7.790 -3.268 6.137 1.00 0.00 N ATOM 1674 CA HIS B 118 8.716 -2.247 6.589 1.00 0.00 C ATOM 1675 C HIS B 118 10.034 -2.863 6.986 1.00 0.00 C ATOM 1676 O HIS B 118 11.088 -2.368 6.606 1.00 0.00 O ATOM 1677 CB HIS B 118 8.074 -1.389 7.702 1.00 0.00 C ATOM 1678 CG HIS B 118 7.111 -0.353 7.164 1.00 0.00 C ATOM 1679 ND1 HIS B 118 6.058 -0.688 6.366 1.00 0.00 N ATOM 1680 CD2 HIS B 118 7.071 1.007 7.254 1.00 0.00 C ATOM 1681 CE1 HIS B 118 5.433 0.376 5.984 1.00 0.00 C ATOM 1682 NE2 HIS B 118 6.011 1.419 6.496 1.00 0.00 N ATOM 0 H HIS B 118 6.997 -3.411 6.762 1.00 0.00 H new ATOM 0 HA HIS B 118 8.936 -1.566 5.767 1.00 0.00 H new ATOM 0 HB2 HIS B 118 7.547 -2.041 8.398 1.00 0.00 H new ATOM 0 HB3 HIS B 118 8.860 -0.888 8.267 1.00 0.00 H new ATOM 0 HD1 HIS B 118 5.801 -1.641 6.108 1.00 0.00 H new ATOM 0 HD2 HIS B 118 7.746 1.636 7.815 1.00 0.00 H new ATOM 0 HE1 HIS B 118 4.566 0.395 5.340 1.00 0.00 H new ATOM 0 HE2 HIS B 118 5.722 2.387 6.356 1.00 0.00 H new ATOM 1691 N GLU B 119 9.962 -3.977 7.686 1.00 0.00 N ATOM 1692 CA GLU B 119 11.139 -4.735 8.039 1.00 0.00 C ATOM 1693 C GLU B 119 11.757 -5.321 6.787 1.00 0.00 C ATOM 1694 O GLU B 119 12.915 -5.119 6.544 1.00 0.00 O ATOM 1695 CB GLU B 119 10.811 -5.823 9.065 1.00 0.00 C ATOM 1696 CG GLU B 119 10.388 -5.277 10.395 1.00 0.00 C ATOM 1697 CD GLU B 119 9.962 -6.340 11.378 1.00 0.00 C ATOM 1698 OE1 GLU B 119 8.950 -7.034 11.131 1.00 0.00 O ATOM 1699 OE2 GLU B 119 10.613 -6.482 12.438 1.00 0.00 O ATOM 0 H GLU B 119 9.088 -4.379 8.024 1.00 0.00 H new ATOM 0 HA GLU B 119 11.863 -4.068 8.507 1.00 0.00 H new ATOM 0 HB2 GLU B 119 10.016 -6.456 8.671 1.00 0.00 H new ATOM 0 HB3 GLU B 119 11.686 -6.458 9.203 1.00 0.00 H new ATOM 0 HG2 GLU B 119 11.213 -4.708 10.823 1.00 0.00 H new ATOM 0 HG3 GLU B 119 9.563 -4.580 10.246 1.00 0.00 H new ATOM 1706 N GLU B 120 10.945 -5.970 5.968 1.00 0.00 N ATOM 1707 CA GLU B 120 11.383 -6.571 4.701 1.00 0.00 C ATOM 1708 C GLU B 120 12.104 -5.570 3.831 1.00 0.00 C ATOM 1709 O GLU B 120 13.143 -5.871 3.296 1.00 0.00 O ATOM 1710 CB GLU B 120 10.190 -7.145 3.927 1.00 0.00 C ATOM 1711 CG GLU B 120 9.576 -8.395 4.528 1.00 0.00 C ATOM 1712 CD GLU B 120 10.494 -9.588 4.437 1.00 0.00 C ATOM 1713 OE1 GLU B 120 11.544 -9.612 5.100 1.00 0.00 O ATOM 1714 OE2 GLU B 120 10.165 -10.540 3.691 1.00 0.00 O ATOM 0 H GLU B 120 9.951 -6.100 6.159 1.00 0.00 H new ATOM 0 HA GLU B 120 12.073 -7.376 4.953 1.00 0.00 H new ATOM 0 HB2 GLU B 120 9.419 -6.378 3.857 1.00 0.00 H new ATOM 0 HB3 GLU B 120 10.510 -7.369 2.910 1.00 0.00 H new ATOM 0 HG2 GLU B 120 9.329 -8.209 5.573 1.00 0.00 H new ATOM 0 HG3 GLU B 120 8.641 -8.620 4.015 1.00 0.00 H new ATOM 1721 N ALA B 121 11.558 -4.382 3.719 1.00 0.00 N ATOM 1722 CA ALA B 121 12.151 -3.355 2.896 1.00 0.00 C ATOM 1723 C ALA B 121 13.497 -2.936 3.432 1.00 0.00 C ATOM 1724 O ALA B 121 14.462 -2.875 2.686 1.00 0.00 O ATOM 1725 CB ALA B 121 11.231 -2.163 2.753 1.00 0.00 C ATOM 0 H ALA B 121 10.698 -4.102 4.191 1.00 0.00 H new ATOM 0 HA ALA B 121 12.302 -3.779 1.903 1.00 0.00 H new ATOM 0 HB1 ALA B 121 11.708 -1.408 2.128 1.00 0.00 H new ATOM 0 HB2 ALA B 121 10.295 -2.479 2.291 1.00 0.00 H new ATOM 0 HB3 ALA B 121 11.026 -1.742 3.737 1.00 0.00 H new