USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=24 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 35 GLN : amide:sc= 0.398 K(o=1,f=-6.4!) USER MOD Set 1.2: A 40 HIS : +bothHN:sc= 0.61 K(o=1,f=-5!) USER MOD Set 2.1: A 30 GLN : amide:sc= 1.28 K(o=0.72,f=-9.2!) USER MOD Set 2.2: A 38 HIS : +bothHN:sc= -0.56 K(o=0.72,f=-5.6!) USER MOD Single : A 15 ASN :FLIP amide:sc= -0.036 F(o=-1.9!,f=-0.036) USER MOD Single : A 16 TYR OH : rot 30:sc= -0.198 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 108:sc= 1.23 USER MOD Single : A 22 LYS NZ :NH3+ 171:sc= 1.15 (180deg=0.882) USER MOD Single : A 23 THR OG1 : rot 162:sc= 1.38 USER MOD Single : A 24 MET CE :methyl 159:sc= -0.0762 (180deg=-0.494) USER MOD Single : A 25 SER OG : rot 150:sc= 1.06 USER MOD Single : A 34 SER OG : rot -106:sc= 0.0176 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot -179:sc= 2.34 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -0.796 X(o=-0.8,f=-0.37) USER MOD Single : A 50 LYS NZ :NH3+ -138:sc= 0.0343 (180deg=-0.00329) USER MOD Single : A 51 ASN : amide:sc= 0.31 K(o=0.31,f=-2.4!) USER MOD Single : A 53 LYS NZ :NH3+ 137:sc= 0.338 (180deg=-0.361) USER MOD Single : A 54 LYS NZ :NH3+ 166:sc= -0.0349 (180deg=-0.218) USER MOD Single : A 55 ASN :FLIP amide:sc= -2.49! C(o=-3.8!,f=-2.5!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.0726 K(o=-0.073,f=-14!) USER MOD Single : A 70 THR OG1 : rot 115:sc= -0.292 USER MOD Single : A 71 THR OG1 : rot -43:sc= 0.253 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 75 LYS NZ :NH3+ -178:sc= 1.14 (180deg=1.14) USER MOD Single : A 79 TYR OH : rot 9:sc= 1.14 USER MOD Single : B 111 GLN : amide:sc=-0.00559 K(o=-0.0056,f=-1.2!) USER MOD Single : B 114 LYS NZ :NH3+ 164:sc= 2.06 (180deg=1.73) USER MOD Single : B 115 ASN :FLIP amide:sc= 0 F(o=-0.61,f=0) USER MOD Single : B 118 HIS : no HD1:sc= -0.354 X(o=-0.35,f=-0.8) USER MOD ----------------------------------------------------------------- ATOM 179 N GLY A 13 -3.198 10.129 3.310 1.00 0.00 N ATOM 180 CA GLY A 13 -3.869 9.427 2.230 1.00 0.00 C ATOM 181 C GLY A 13 -4.531 8.102 2.595 1.00 0.00 C ATOM 182 O GLY A 13 -4.692 7.240 1.738 1.00 0.00 O ATOM 0 HA2 GLY A 13 -4.630 10.087 1.814 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -3.142 9.240 1.439 1.00 0.00 H new ATOM 186 N GLU A 14 -4.890 7.921 3.843 1.00 0.00 N ATOM 187 CA GLU A 14 -5.702 6.766 4.232 1.00 0.00 C ATOM 188 C GLU A 14 -7.093 6.968 3.631 1.00 0.00 C ATOM 189 O GLU A 14 -7.780 6.032 3.229 1.00 0.00 O ATOM 190 CB GLU A 14 -5.850 6.680 5.751 1.00 0.00 C ATOM 191 CG GLU A 14 -6.645 5.462 6.192 1.00 0.00 C ATOM 192 CD GLU A 14 -7.366 5.669 7.489 1.00 0.00 C ATOM 193 OE1 GLU A 14 -8.072 6.681 7.622 1.00 0.00 O ATOM 194 OE2 GLU A 14 -7.269 4.825 8.390 1.00 0.00 O ATOM 0 H GLU A 14 -4.641 8.546 4.610 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.224 5.853 3.878 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.861 6.649 6.208 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.341 7.582 6.116 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.369 5.208 5.417 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.971 4.611 6.290 1.00 0.00 H new ATOM 201 N ASN A 15 -7.471 8.230 3.550 1.00 0.00 N ATOM 202 CA ASN A 15 -8.758 8.665 3.025 1.00 0.00 C ATOM 203 C ASN A 15 -8.695 8.820 1.501 1.00 0.00 C ATOM 204 O ASN A 15 -9.533 9.498 0.890 1.00 0.00 O ATOM 205 CB ASN A 15 -9.164 10.008 3.673 1.00 0.00 C ATOM 206 CG ASN A 15 -9.558 9.941 5.129 1.00 0.00 C ATOM 207 OD1 ASN A 15 -8.954 9.081 5.873 1.00 0.00 O flip ATOM 208 ND2 ASN A 15 -10.407 10.704 5.588 1.00 0.00 N flip ATOM 0 H ASN A 15 -6.879 9.003 3.854 1.00 0.00 H new ATOM 0 HA ASN A 15 -9.504 7.908 3.267 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -8.332 10.705 3.573 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -9.998 10.425 3.109 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -10.871 11.377 4.978 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -10.646 10.664 6.579 1.00 0.00 H new ATOM 215 N TYR A 16 -7.706 8.200 0.895 1.00 0.00 N ATOM 216 CA TYR A 16 -7.492 8.299 -0.528 1.00 0.00 C ATOM 217 C TYR A 16 -8.347 7.294 -1.292 1.00 0.00 C ATOM 218 O TYR A 16 -8.115 6.089 -1.239 1.00 0.00 O ATOM 219 CB TYR A 16 -6.009 8.095 -0.860 1.00 0.00 C ATOM 220 CG TYR A 16 -5.668 8.255 -2.319 1.00 0.00 C ATOM 221 CD1 TYR A 16 -5.604 9.498 -2.874 1.00 0.00 C ATOM 222 CD2 TYR A 16 -5.416 7.165 -3.131 1.00 0.00 C ATOM 223 CE1 TYR A 16 -5.302 9.674 -4.200 1.00 0.00 C ATOM 224 CE2 TYR A 16 -5.113 7.330 -4.468 1.00 0.00 C ATOM 225 CZ TYR A 16 -5.061 8.606 -4.988 1.00 0.00 C ATOM 226 OH TYR A 16 -4.772 8.812 -6.310 1.00 0.00 O ATOM 0 H TYR A 16 -7.027 7.612 1.379 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.792 9.299 -0.841 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -5.419 8.806 -0.282 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.711 7.097 -0.538 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.795 10.363 -2.256 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.457 6.170 -2.714 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.257 10.670 -4.615 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -4.920 6.473 -5.096 1.00 0.00 H new ATOM 0 HH TYR A 16 -4.324 9.677 -6.416 1.00 0.00 H new ATOM 236 N ASP A 17 -9.324 7.805 -1.990 1.00 0.00 N ATOM 237 CA ASP A 17 -10.193 7.003 -2.847 1.00 0.00 C ATOM 238 C ASP A 17 -9.905 7.359 -4.312 1.00 0.00 C ATOM 239 O ASP A 17 -10.525 6.857 -5.240 1.00 0.00 O ATOM 240 CB ASP A 17 -11.675 7.244 -2.476 1.00 0.00 C ATOM 241 CG ASP A 17 -12.673 6.478 -3.335 1.00 0.00 C ATOM 242 OD1 ASP A 17 -12.663 5.224 -3.319 1.00 0.00 O ATOM 243 OD2 ASP A 17 -13.521 7.120 -3.993 1.00 0.00 O ATOM 0 H ASP A 17 -9.552 8.799 -1.989 1.00 0.00 H new ATOM 0 HA ASP A 17 -9.994 5.941 -2.702 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -11.825 6.967 -1.432 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -11.888 8.310 -2.557 1.00 0.00 H new ATOM 248 N GLY A 18 -8.901 8.209 -4.496 1.00 0.00 N ATOM 249 CA GLY A 18 -8.498 8.643 -5.821 1.00 0.00 C ATOM 250 C GLY A 18 -7.879 7.512 -6.635 1.00 0.00 C ATOM 251 O GLY A 18 -7.570 6.433 -6.102 1.00 0.00 O ATOM 0 H GLY A 18 -8.351 8.611 -3.737 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.365 9.038 -6.351 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.780 9.459 -5.732 1.00 0.00 H new ATOM 255 N LYS A 19 -7.648 7.757 -7.891 1.00 0.00 N ATOM 256 CA LYS A 19 -7.239 6.714 -8.790 1.00 0.00 C ATOM 257 C LYS A 19 -5.832 6.913 -9.370 1.00 0.00 C ATOM 258 O LYS A 19 -5.671 7.304 -10.524 1.00 0.00 O ATOM 259 CB LYS A 19 -8.288 6.578 -9.892 1.00 0.00 C ATOM 260 CG LYS A 19 -9.689 6.478 -9.318 1.00 0.00 C ATOM 261 CD LYS A 19 -10.750 6.284 -10.370 1.00 0.00 C ATOM 262 CE LYS A 19 -12.123 6.194 -9.717 1.00 0.00 C ATOM 263 NZ LYS A 19 -13.202 5.998 -10.699 1.00 0.00 N ATOM 0 H LYS A 19 -7.736 8.678 -8.321 1.00 0.00 H new ATOM 0 HA LYS A 19 -7.173 5.788 -8.218 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.228 7.437 -10.560 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.075 5.693 -10.491 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -9.728 5.646 -8.615 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.908 7.384 -8.753 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -10.728 7.113 -11.077 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -10.548 5.376 -10.938 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -12.130 5.369 -9.005 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -12.313 7.106 -9.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -14.115 5.943 -10.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -13.216 6.797 -11.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -13.038 5.115 -11.223 1.00 0.00 H new ATOM 277 N ILE A 20 -4.827 6.760 -8.528 1.00 0.00 N ATOM 278 CA ILE A 20 -3.461 6.722 -8.984 1.00 0.00 C ATOM 279 C ILE A 20 -3.033 5.263 -8.935 1.00 0.00 C ATOM 280 O ILE A 20 -3.528 4.506 -8.079 1.00 0.00 O ATOM 281 CB ILE A 20 -2.506 7.608 -8.120 1.00 0.00 C ATOM 282 CG1 ILE A 20 -1.192 7.861 -8.859 1.00 0.00 C ATOM 283 CG2 ILE A 20 -2.232 6.976 -6.760 1.00 0.00 C ATOM 284 CD1 ILE A 20 -0.239 8.774 -8.123 1.00 0.00 C ATOM 0 H ILE A 20 -4.938 6.660 -7.519 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.398 7.131 -9.992 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.007 8.561 -7.952 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.698 6.906 -9.039 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.413 8.294 -9.835 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.565 7.620 -6.187 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.171 6.854 -6.220 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -1.764 6.001 -6.899 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.669 8.904 -8.712 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.712 9.744 -7.967 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.014 8.334 -7.158 1.00 0.00 H new ATOM 296 N SER A 21 -2.180 4.855 -9.805 1.00 0.00 N ATOM 297 CA SER A 21 -1.779 3.478 -9.832 1.00 0.00 C ATOM 298 C SER A 21 -0.269 3.336 -9.985 1.00 0.00 C ATOM 299 O SER A 21 0.253 2.227 -10.173 1.00 0.00 O ATOM 300 CB SER A 21 -2.507 2.807 -10.981 1.00 0.00 C ATOM 301 OG SER A 21 -2.226 3.459 -12.224 1.00 0.00 O ATOM 0 H SER A 21 -1.742 5.447 -10.510 1.00 0.00 H new ATOM 0 HA SER A 21 -2.039 3.000 -8.887 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.210 1.760 -11.041 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.581 2.823 -10.794 1.00 0.00 H new ATOM 0 HG SER A 21 -1.644 2.888 -12.769 1.00 0.00 H new ATOM 307 N LYS A 22 0.432 4.446 -9.875 1.00 0.00 N ATOM 308 CA LYS A 22 1.858 4.462 -10.103 1.00 0.00 C ATOM 309 C LYS A 22 2.563 4.963 -8.858 1.00 0.00 C ATOM 310 O LYS A 22 2.021 5.803 -8.126 1.00 0.00 O ATOM 311 CB LYS A 22 2.187 5.326 -11.323 1.00 0.00 C ATOM 312 CG LYS A 22 1.400 4.922 -12.566 1.00 0.00 C ATOM 313 CD LYS A 22 1.716 5.812 -13.740 1.00 0.00 C ATOM 314 CE LYS A 22 0.705 5.639 -14.868 1.00 0.00 C ATOM 315 NZ LYS A 22 0.750 4.316 -15.517 1.00 0.00 N ATOM 0 H LYS A 22 0.033 5.352 -9.628 1.00 0.00 H new ATOM 0 HA LYS A 22 2.209 3.451 -10.311 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.977 6.370 -11.090 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.254 5.255 -11.535 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.629 3.888 -12.822 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.332 4.968 -12.352 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.725 6.853 -13.416 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.716 5.585 -14.110 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.297 5.804 -14.472 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.881 6.408 -15.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.059 4.219 -16.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.636 4.223 -16.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.705 3.572 -14.792 1.00 0.00 H new ATOM 329 N THR A 23 3.760 4.474 -8.622 1.00 0.00 N ATOM 330 CA THR A 23 4.462 4.754 -7.392 1.00 0.00 C ATOM 331 C THR A 23 5.272 6.053 -7.485 1.00 0.00 C ATOM 332 O THR A 23 5.133 6.826 -8.445 1.00 0.00 O ATOM 333 CB THR A 23 5.408 3.596 -7.093 1.00 0.00 C ATOM 334 OG1 THR A 23 6.315 3.453 -8.197 1.00 0.00 O ATOM 335 CG2 THR A 23 4.631 2.295 -6.895 1.00 0.00 C ATOM 0 H THR A 23 4.270 3.876 -9.272 1.00 0.00 H new ATOM 0 HA THR A 23 3.727 4.872 -6.596 1.00 0.00 H new ATOM 0 HB THR A 23 5.955 3.807 -6.174 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.096 2.933 -7.914 1.00 0.00 H new ATOM 0 HG21 THR A 23 5.328 1.484 -6.683 1.00 0.00 H new ATOM 0 HG22 THR A 23 3.940 2.407 -6.060 1.00 0.00 H new ATOM 0 HG23 THR A 23 4.071 2.064 -7.801 1.00 0.00 H new ATOM 343 N MET A 24 6.123 6.297 -6.485 1.00 0.00 N ATOM 344 CA MET A 24 7.015 7.439 -6.480 1.00 0.00 C ATOM 345 C MET A 24 8.087 7.285 -7.565 1.00 0.00 C ATOM 346 O MET A 24 8.598 8.274 -8.087 1.00 0.00 O ATOM 347 CB MET A 24 7.615 7.661 -5.065 1.00 0.00 C ATOM 348 CG MET A 24 8.488 6.527 -4.503 1.00 0.00 C ATOM 349 SD MET A 24 10.176 6.496 -5.147 1.00 0.00 S ATOM 350 CE MET A 24 10.848 7.989 -4.412 1.00 0.00 C ATOM 0 H MET A 24 6.206 5.703 -5.660 1.00 0.00 H new ATOM 0 HA MET A 24 6.448 8.338 -6.721 1.00 0.00 H new ATOM 0 HB2 MET A 24 8.213 8.572 -5.087 1.00 0.00 H new ATOM 0 HB3 MET A 24 6.794 7.835 -4.370 1.00 0.00 H new ATOM 0 HG2 MET A 24 8.528 6.619 -3.418 1.00 0.00 H new ATOM 0 HG3 MET A 24 8.010 5.573 -4.725 1.00 0.00 H new ATOM 0 HE1 MET A 24 11.936 7.927 -4.393 1.00 0.00 H new ATOM 0 HE2 MET A 24 10.544 8.854 -5.002 1.00 0.00 H new ATOM 0 HE3 MET A 24 10.473 8.094 -3.394 1.00 0.00 H new ATOM 360 N SER A 25 8.398 6.035 -7.922 1.00 0.00 N ATOM 361 CA SER A 25 9.302 5.745 -9.005 1.00 0.00 C ATOM 362 C SER A 25 8.534 5.777 -10.331 1.00 0.00 C ATOM 363 O SER A 25 9.112 5.754 -11.423 1.00 0.00 O ATOM 364 CB SER A 25 9.910 4.379 -8.796 1.00 0.00 C ATOM 365 OG SER A 25 10.530 4.279 -7.521 1.00 0.00 O ATOM 0 H SER A 25 8.023 5.207 -7.460 1.00 0.00 H new ATOM 0 HA SER A 25 10.096 6.491 -9.033 1.00 0.00 H new ATOM 0 HB2 SER A 25 9.136 3.617 -8.887 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.645 4.182 -9.577 1.00 0.00 H new ATOM 0 HG SER A 25 10.486 3.351 -7.208 1.00 0.00 H new ATOM 371 N GLY A 26 7.218 5.827 -10.213 1.00 0.00 N ATOM 372 CA GLY A 26 6.345 5.858 -11.353 1.00 0.00 C ATOM 373 C GLY A 26 6.075 4.498 -11.874 1.00 0.00 C ATOM 374 O GLY A 26 5.559 4.338 -12.973 1.00 0.00 O ATOM 0 H GLY A 26 6.732 5.847 -9.316 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.405 6.336 -11.078 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.794 6.466 -12.138 1.00 0.00 H new ATOM 378 N LEU A 27 6.399 3.520 -11.080 1.00 0.00 N ATOM 379 CA LEU A 27 6.190 2.161 -11.433 1.00 0.00 C ATOM 380 C LEU A 27 4.750 1.834 -11.264 1.00 0.00 C ATOM 381 O LEU A 27 4.044 2.511 -10.539 1.00 0.00 O ATOM 382 CB LEU A 27 7.034 1.252 -10.576 1.00 0.00 C ATOM 383 CG LEU A 27 8.555 1.334 -10.799 1.00 0.00 C ATOM 384 CD1 LEU A 27 9.301 0.436 -9.832 1.00 0.00 C ATOM 385 CD2 LEU A 27 8.900 0.952 -12.225 1.00 0.00 C ATOM 0 H LEU A 27 6.820 3.653 -10.161 1.00 0.00 H new ATOM 0 HA LEU A 27 6.482 2.011 -12.472 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.828 1.477 -9.530 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.716 0.224 -10.749 1.00 0.00 H new ATOM 0 HG LEU A 27 8.863 2.364 -10.618 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.373 0.516 -10.014 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.083 0.743 -8.809 1.00 0.00 H new ATOM 0 HD13 LEU A 27 8.984 -0.597 -9.976 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.979 1.015 -12.368 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.567 -0.068 -12.419 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.403 1.634 -12.915 1.00 0.00 H new ATOM 397 N GLU A 28 4.320 0.818 -11.906 1.00 0.00 N ATOM 398 CA GLU A 28 2.942 0.462 -11.860 1.00 0.00 C ATOM 399 C GLU A 28 2.717 -0.446 -10.666 1.00 0.00 C ATOM 400 O GLU A 28 3.558 -1.316 -10.354 1.00 0.00 O ATOM 401 CB GLU A 28 2.530 -0.236 -13.153 1.00 0.00 C ATOM 402 CG GLU A 28 1.033 -0.210 -13.429 1.00 0.00 C ATOM 403 CD GLU A 28 0.519 1.197 -13.689 1.00 0.00 C ATOM 404 OE1 GLU A 28 1.128 1.915 -14.515 1.00 0.00 O ATOM 405 OE2 GLU A 28 -0.527 1.579 -13.144 1.00 0.00 O ATOM 0 H GLU A 28 4.903 0.207 -12.478 1.00 0.00 H new ATOM 0 HA GLU A 28 2.331 1.359 -11.757 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.050 0.234 -13.988 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.863 -1.273 -13.114 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.814 -0.840 -14.291 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.501 -0.637 -12.579 1.00 0.00 H new ATOM 412 N CYS A 29 1.650 -0.223 -9.981 1.00 0.00 N ATOM 413 CA CYS A 29 1.309 -1.020 -8.848 1.00 0.00 C ATOM 414 C CYS A 29 0.732 -2.370 -9.254 1.00 0.00 C ATOM 415 O CYS A 29 0.189 -2.545 -10.358 1.00 0.00 O ATOM 416 CB CYS A 29 0.353 -0.263 -7.926 1.00 0.00 C ATOM 417 SG CYS A 29 -0.367 -1.244 -6.564 1.00 0.00 S ATOM 0 H CYS A 29 0.984 0.521 -10.190 1.00 0.00 H new ATOM 0 HA CYS A 29 2.228 -1.221 -8.298 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.886 0.586 -7.497 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -0.460 0.142 -8.528 1.00 0.00 H new ATOM 422 N GLN A 30 0.898 -3.303 -8.374 1.00 0.00 N ATOM 423 CA GLN A 30 0.367 -4.629 -8.476 1.00 0.00 C ATOM 424 C GLN A 30 -1.000 -4.629 -7.813 1.00 0.00 C ATOM 425 O GLN A 30 -1.128 -4.180 -6.678 1.00 0.00 O ATOM 426 CB GLN A 30 1.297 -5.611 -7.754 1.00 0.00 C ATOM 427 CG GLN A 30 0.719 -7.012 -7.590 1.00 0.00 C ATOM 428 CD GLN A 30 1.585 -7.921 -6.746 1.00 0.00 C ATOM 429 OE1 GLN A 30 2.816 -7.810 -6.726 1.00 0.00 O ATOM 430 NE2 GLN A 30 0.955 -8.816 -6.026 1.00 0.00 N ATOM 0 H GLN A 30 1.435 -3.156 -7.519 1.00 0.00 H new ATOM 0 HA GLN A 30 0.284 -4.933 -9.519 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.234 -5.679 -8.306 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.536 -5.211 -6.769 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.269 -6.939 -7.136 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.585 -7.460 -8.575 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.062 -8.880 -6.067 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.482 -9.449 -5.424 1.00 0.00 H new ATOM 439 N ALA A 31 -1.997 -5.127 -8.513 1.00 0.00 N ATOM 440 CA ALA A 31 -3.357 -5.158 -8.014 1.00 0.00 C ATOM 441 C ALA A 31 -3.437 -5.905 -6.702 1.00 0.00 C ATOM 442 O ALA A 31 -2.885 -7.001 -6.566 1.00 0.00 O ATOM 443 CB ALA A 31 -4.275 -5.801 -9.042 1.00 0.00 C ATOM 0 H ALA A 31 -1.888 -5.523 -9.447 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.680 -4.132 -7.839 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.295 -5.820 -8.658 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.246 -5.225 -9.967 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.943 -6.820 -9.239 1.00 0.00 H new ATOM 449 N TRP A 32 -4.113 -5.297 -5.747 1.00 0.00 N ATOM 450 CA TRP A 32 -4.266 -5.820 -4.403 1.00 0.00 C ATOM 451 C TRP A 32 -4.845 -7.245 -4.395 1.00 0.00 C ATOM 452 O TRP A 32 -4.450 -8.088 -3.583 1.00 0.00 O ATOM 453 CB TRP A 32 -5.142 -4.879 -3.579 1.00 0.00 C ATOM 454 CG TRP A 32 -4.610 -3.470 -3.453 1.00 0.00 C ATOM 455 CD1 TRP A 32 -5.070 -2.354 -4.095 1.00 0.00 C ATOM 456 CD2 TRP A 32 -3.522 -3.032 -2.631 1.00 0.00 C ATOM 457 NE1 TRP A 32 -4.345 -1.254 -3.707 1.00 0.00 N ATOM 458 CE2 TRP A 32 -3.388 -1.642 -2.822 1.00 0.00 C ATOM 459 CE3 TRP A 32 -2.652 -3.672 -1.755 1.00 0.00 C ATOM 460 CZ2 TRP A 32 -2.424 -0.889 -2.166 1.00 0.00 C ATOM 461 CZ3 TRP A 32 -1.698 -2.920 -1.108 1.00 0.00 C ATOM 462 CH2 TRP A 32 -1.591 -1.544 -1.317 1.00 0.00 C ATOM 0 H TRP A 32 -4.583 -4.403 -5.888 1.00 0.00 H new ATOM 0 HA TRP A 32 -3.274 -5.879 -3.955 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -6.134 -4.840 -4.030 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -5.262 -5.298 -2.580 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -5.885 -2.340 -4.804 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.500 -0.299 -4.031 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.723 -4.736 -1.586 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -2.340 0.176 -2.325 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -1.017 -3.405 -0.424 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -0.829 -0.988 -0.792 1.00 0.00 H new ATOM 473 N ASP A 33 -5.734 -7.514 -5.325 1.00 0.00 N ATOM 474 CA ASP A 33 -6.381 -8.826 -5.460 1.00 0.00 C ATOM 475 C ASP A 33 -5.380 -9.881 -5.916 1.00 0.00 C ATOM 476 O ASP A 33 -5.492 -11.062 -5.578 1.00 0.00 O ATOM 477 CB ASP A 33 -7.531 -8.731 -6.479 1.00 0.00 C ATOM 478 CG ASP A 33 -8.210 -10.060 -6.760 1.00 0.00 C ATOM 479 OD1 ASP A 33 -9.159 -10.433 -6.029 1.00 0.00 O ATOM 480 OD2 ASP A 33 -7.842 -10.739 -7.726 1.00 0.00 O ATOM 0 H ASP A 33 -6.039 -6.833 -6.020 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.773 -9.120 -4.486 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.274 -8.024 -6.110 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.143 -8.326 -7.414 1.00 0.00 H new ATOM 485 N SER A 34 -4.373 -9.435 -6.605 1.00 0.00 N ATOM 486 CA SER A 34 -3.432 -10.300 -7.224 1.00 0.00 C ATOM 487 C SER A 34 -2.262 -10.592 -6.274 1.00 0.00 C ATOM 488 O SER A 34 -1.713 -9.685 -5.636 1.00 0.00 O ATOM 489 CB SER A 34 -2.937 -9.640 -8.517 1.00 0.00 C ATOM 490 OG SER A 34 -2.194 -10.542 -9.320 1.00 0.00 O ATOM 0 H SER A 34 -4.185 -8.443 -6.751 1.00 0.00 H new ATOM 0 HA SER A 34 -3.906 -11.253 -7.461 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.790 -9.267 -9.084 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.317 -8.778 -8.270 1.00 0.00 H new ATOM 0 HG SER A 34 -1.241 -10.319 -9.266 1.00 0.00 H new ATOM 496 N GLN A 35 -1.900 -11.855 -6.179 1.00 0.00 N ATOM 497 CA GLN A 35 -0.764 -12.298 -5.377 1.00 0.00 C ATOM 498 C GLN A 35 0.422 -12.521 -6.313 1.00 0.00 C ATOM 499 O GLN A 35 1.425 -13.138 -5.948 1.00 0.00 O ATOM 500 CB GLN A 35 -1.084 -13.628 -4.688 1.00 0.00 C ATOM 501 CG GLN A 35 -2.298 -13.632 -3.775 1.00 0.00 C ATOM 502 CD GLN A 35 -2.081 -12.835 -2.523 1.00 0.00 C ATOM 503 OE1 GLN A 35 -0.968 -12.716 -2.044 1.00 0.00 O ATOM 504 NE2 GLN A 35 -3.128 -12.314 -1.958 1.00 0.00 N ATOM 0 H GLN A 35 -2.386 -12.613 -6.658 1.00 0.00 H new ATOM 0 HA GLN A 35 -0.541 -11.545 -4.622 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -1.231 -14.386 -5.457 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -0.215 -13.930 -4.104 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -3.155 -13.228 -4.314 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -2.544 -14.660 -3.509 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -4.048 -12.430 -2.383 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.030 -11.788 -1.089 1.00 0.00 H new ATOM 513 N SER A 36 0.299 -12.022 -7.513 1.00 0.00 N ATOM 514 CA SER A 36 1.298 -12.207 -8.506 1.00 0.00 C ATOM 515 C SER A 36 1.832 -10.844 -8.937 1.00 0.00 C ATOM 516 O SER A 36 1.061 -9.975 -9.351 1.00 0.00 O ATOM 517 CB SER A 36 0.692 -12.949 -9.697 1.00 0.00 C ATOM 518 OG SER A 36 0.045 -14.151 -9.278 1.00 0.00 O ATOM 0 H SER A 36 -0.504 -11.474 -7.822 1.00 0.00 H new ATOM 0 HA SER A 36 2.122 -12.798 -8.107 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.025 -12.304 -10.205 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.474 -13.186 -10.418 1.00 0.00 H new ATOM 0 HG SER A 36 -0.336 -14.606 -10.058 1.00 0.00 H new ATOM 524 N PRO A 37 3.141 -10.626 -8.821 1.00 0.00 N ATOM 525 CA PRO A 37 4.110 -11.696 -8.453 1.00 0.00 C ATOM 526 C PRO A 37 4.320 -11.771 -6.935 1.00 0.00 C ATOM 527 O PRO A 37 4.721 -12.791 -6.390 1.00 0.00 O ATOM 528 CB PRO A 37 5.392 -11.184 -9.107 1.00 0.00 C ATOM 529 CG PRO A 37 5.247 -9.717 -8.991 1.00 0.00 C ATOM 530 CD PRO A 37 3.841 -9.453 -9.379 1.00 0.00 C ATOM 0 HA PRO A 37 3.788 -12.690 -8.764 1.00 0.00 H new ATOM 0 HB2 PRO A 37 6.282 -11.546 -8.593 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.473 -11.503 -10.146 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.449 -9.377 -7.975 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.945 -9.196 -9.647 1.00 0.00 H new ATOM 0 HD2 PRO A 37 3.470 -8.519 -8.957 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.723 -9.384 -10.460 1.00 0.00 H new ATOM 538 N HIS A 38 4.041 -10.678 -6.279 1.00 0.00 N ATOM 539 CA HIS A 38 4.272 -10.546 -4.855 1.00 0.00 C ATOM 540 C HIS A 38 3.112 -11.048 -4.030 1.00 0.00 C ATOM 541 O HIS A 38 1.993 -10.521 -4.124 1.00 0.00 O ATOM 542 CB HIS A 38 4.563 -9.095 -4.507 1.00 0.00 C ATOM 543 CG HIS A 38 5.773 -8.562 -5.177 1.00 0.00 C ATOM 544 ND1 HIS A 38 5.715 -7.674 -6.219 1.00 0.00 N ATOM 545 CD2 HIS A 38 7.080 -8.829 -4.983 1.00 0.00 C ATOM 546 CE1 HIS A 38 6.927 -7.431 -6.641 1.00 0.00 C ATOM 547 NE2 HIS A 38 7.777 -8.116 -5.909 1.00 0.00 N ATOM 0 H HIS A 38 3.644 -9.845 -6.714 1.00 0.00 H new ATOM 0 HA HIS A 38 5.134 -11.167 -4.612 1.00 0.00 H new ATOM 0 HB2 HIS A 38 3.704 -8.483 -4.783 1.00 0.00 H new ATOM 0 HB3 HIS A 38 4.685 -9.005 -3.428 1.00 0.00 H new ATOM 0 HD1 HIS A 38 4.862 -7.268 -6.603 1.00 0.00 H new ATOM 0 HD2 HIS A 38 7.496 -9.486 -4.233 1.00 0.00 H new ATOM 0 HE1 HIS A 38 7.188 -6.775 -7.458 1.00 0.00 H new ATOM 0 HE2 HIS A 38 8.791 -8.114 -6.017 1.00 0.00 H new ATOM 556 N ALA A 39 3.381 -12.034 -3.212 1.00 0.00 N ATOM 557 CA ALA A 39 2.395 -12.597 -2.326 1.00 0.00 C ATOM 558 C ALA A 39 2.217 -11.663 -1.143 1.00 0.00 C ATOM 559 O ALA A 39 3.203 -11.222 -0.524 1.00 0.00 O ATOM 560 CB ALA A 39 2.833 -13.974 -1.856 1.00 0.00 C ATOM 0 H ALA A 39 4.299 -12.472 -3.142 1.00 0.00 H new ATOM 0 HA ALA A 39 1.446 -12.708 -2.851 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.078 -14.387 -1.187 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.954 -14.631 -2.717 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.782 -13.893 -1.326 1.00 0.00 H new ATOM 566 N HIS A 40 0.991 -11.318 -0.848 1.00 0.00 N ATOM 567 CA HIS A 40 0.728 -10.388 0.228 1.00 0.00 C ATOM 568 C HIS A 40 -0.582 -10.665 0.953 1.00 0.00 C ATOM 569 O HIS A 40 -1.511 -11.235 0.385 1.00 0.00 O ATOM 570 CB HIS A 40 0.737 -8.942 -0.304 1.00 0.00 C ATOM 571 CG HIS A 40 -0.261 -8.630 -1.409 1.00 0.00 C ATOM 572 ND1 HIS A 40 -0.249 -7.458 -2.093 1.00 0.00 N ATOM 573 CD2 HIS A 40 -1.318 -9.327 -1.915 1.00 0.00 C ATOM 574 CE1 HIS A 40 -1.236 -7.447 -2.944 1.00 0.00 C ATOM 575 NE2 HIS A 40 -1.891 -8.558 -2.858 1.00 0.00 N ATOM 0 H HIS A 40 0.161 -11.662 -1.332 1.00 0.00 H new ATOM 0 HA HIS A 40 1.527 -10.523 0.957 1.00 0.00 H new ATOM 0 HB2 HIS A 40 0.546 -8.268 0.531 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.738 -8.718 -0.672 1.00 0.00 H new ATOM 0 HD1 HIS A 40 0.426 -6.705 -1.962 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -1.636 -10.314 -1.614 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -1.470 -6.635 -3.617 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -2.708 -8.810 -3.414 1.00 0.00 H new ATOM 584 N GLY A 41 -0.665 -10.199 2.176 1.00 0.00 N ATOM 585 CA GLY A 41 -1.871 -10.323 2.940 1.00 0.00 C ATOM 586 C GLY A 41 -2.806 -9.161 2.728 1.00 0.00 C ATOM 587 O GLY A 41 -3.820 -9.045 3.399 1.00 0.00 O ATOM 0 H GLY A 41 0.098 -9.728 2.662 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.378 -11.248 2.667 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.622 -10.397 3.998 1.00 0.00 H new ATOM 591 N TYR A 42 -2.489 -8.299 1.777 1.00 0.00 N ATOM 592 CA TYR A 42 -3.328 -7.180 1.499 1.00 0.00 C ATOM 593 C TYR A 42 -4.294 -7.599 0.450 1.00 0.00 C ATOM 594 O TYR A 42 -4.074 -7.397 -0.739 1.00 0.00 O ATOM 595 CB TYR A 42 -2.538 -5.958 1.048 1.00 0.00 C ATOM 596 CG TYR A 42 -1.651 -5.346 2.101 1.00 0.00 C ATOM 597 CD1 TYR A 42 -0.393 -5.858 2.360 1.00 0.00 C ATOM 598 CD2 TYR A 42 -2.058 -4.219 2.802 1.00 0.00 C ATOM 599 CE1 TYR A 42 0.440 -5.266 3.278 1.00 0.00 C ATOM 600 CE2 TYR A 42 -1.235 -3.628 3.736 1.00 0.00 C ATOM 601 CZ TYR A 42 0.015 -4.158 3.967 1.00 0.00 C ATOM 602 OH TYR A 42 0.871 -3.544 4.838 1.00 0.00 O ATOM 0 H TYR A 42 -1.655 -8.365 1.193 1.00 0.00 H new ATOM 0 HA TYR A 42 -3.845 -6.881 2.411 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -1.922 -6.238 0.194 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -3.239 -5.199 0.700 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -0.059 -6.739 1.831 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -3.035 -3.799 2.612 1.00 0.00 H new ATOM 0 HE1 TYR A 42 1.425 -5.671 3.457 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -1.567 -2.757 4.282 1.00 0.00 H new ATOM 0 HH TYR A 42 0.419 -2.783 5.259 1.00 0.00 H new ATOM 612 N ILE A 43 -5.254 -8.335 0.893 1.00 0.00 N ATOM 613 CA ILE A 43 -6.290 -8.842 0.045 1.00 0.00 C ATOM 614 C ILE A 43 -7.564 -8.018 0.280 1.00 0.00 C ATOM 615 O ILE A 43 -8.020 -7.895 1.419 1.00 0.00 O ATOM 616 CB ILE A 43 -6.573 -10.344 0.371 1.00 0.00 C ATOM 617 CG1 ILE A 43 -5.253 -11.133 0.426 1.00 0.00 C ATOM 618 CG2 ILE A 43 -7.490 -10.955 -0.690 1.00 0.00 C ATOM 619 CD1 ILE A 43 -5.410 -12.584 0.836 1.00 0.00 C ATOM 0 H ILE A 43 -5.348 -8.609 1.871 1.00 0.00 H new ATOM 0 HA ILE A 43 -5.977 -8.765 -0.996 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.065 -10.399 1.342 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.779 -11.094 -0.555 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.578 -10.641 1.126 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -7.678 -12.001 -0.449 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.435 -10.412 -0.711 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.011 -10.888 -1.667 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.433 -13.066 0.849 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.853 -12.635 1.830 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.057 -13.095 0.124 1.00 0.00 H new ATOM 631 N PRO A 44 -8.158 -7.450 -0.785 1.00 0.00 N ATOM 632 CA PRO A 44 -9.402 -6.643 -0.698 1.00 0.00 C ATOM 633 C PRO A 44 -10.566 -7.416 -0.082 1.00 0.00 C ATOM 634 O PRO A 44 -11.506 -6.829 0.466 1.00 0.00 O ATOM 635 CB PRO A 44 -9.725 -6.340 -2.157 1.00 0.00 C ATOM 636 CG PRO A 44 -8.424 -6.428 -2.862 1.00 0.00 C ATOM 637 CD PRO A 44 -7.646 -7.498 -2.166 1.00 0.00 C ATOM 0 HA PRO A 44 -9.261 -5.766 -0.067 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -10.442 -7.056 -2.560 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -10.167 -5.350 -2.266 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -8.567 -6.672 -3.915 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.896 -5.475 -2.825 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -7.810 -8.475 -2.621 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -6.574 -7.304 -2.204 1.00 0.00 H new ATOM 645 N SER A 45 -10.468 -8.723 -0.143 1.00 0.00 N ATOM 646 CA SER A 45 -11.478 -9.606 0.329 1.00 0.00 C ATOM 647 C SER A 45 -11.510 -9.615 1.849 1.00 0.00 C ATOM 648 O SER A 45 -12.548 -9.849 2.453 1.00 0.00 O ATOM 649 CB SER A 45 -11.168 -10.991 -0.197 1.00 0.00 C ATOM 650 OG SER A 45 -10.941 -10.946 -1.602 1.00 0.00 O ATOM 0 H SER A 45 -9.657 -9.202 -0.535 1.00 0.00 H new ATOM 0 HA SER A 45 -12.456 -9.278 -0.022 1.00 0.00 H new ATOM 0 HB2 SER A 45 -10.289 -11.391 0.308 1.00 0.00 H new ATOM 0 HB3 SER A 45 -11.996 -11.665 0.023 1.00 0.00 H new ATOM 0 HG SER A 45 -10.740 -11.847 -1.930 1.00 0.00 H new ATOM 656 N LYS A 46 -10.379 -9.340 2.464 1.00 0.00 N ATOM 657 CA LYS A 46 -10.295 -9.382 3.868 1.00 0.00 C ATOM 658 C LYS A 46 -10.348 -7.970 4.465 1.00 0.00 C ATOM 659 O LYS A 46 -10.744 -7.794 5.621 1.00 0.00 O ATOM 660 CB LYS A 46 -9.049 -10.155 4.272 1.00 0.00 C ATOM 661 CG LYS A 46 -7.724 -9.455 4.029 1.00 0.00 C ATOM 662 CD LYS A 46 -6.526 -10.317 4.427 1.00 0.00 C ATOM 663 CE LYS A 46 -6.479 -10.604 5.924 1.00 0.00 C ATOM 664 NZ LYS A 46 -5.273 -11.362 6.295 1.00 0.00 N ATOM 0 H LYS A 46 -9.512 -9.086 1.990 1.00 0.00 H new ATOM 0 HA LYS A 46 -11.158 -9.908 4.276 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -9.122 -10.394 5.333 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -9.042 -11.102 3.732 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -7.644 -9.192 2.974 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -7.700 -8.523 4.593 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -6.565 -11.260 3.881 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.606 -9.814 4.129 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.502 -9.664 6.476 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -7.366 -11.166 6.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.276 -11.539 7.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.264 -12.270 5.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.427 -10.814 6.040 1.00 0.00 H new ATOM 678 N PHE A 47 -9.992 -6.967 3.663 1.00 0.00 N ATOM 679 CA PHE A 47 -10.042 -5.580 4.110 1.00 0.00 C ATOM 680 C PHE A 47 -10.891 -4.757 3.145 1.00 0.00 C ATOM 681 O PHE A 47 -10.379 -4.177 2.180 1.00 0.00 O ATOM 682 CB PHE A 47 -8.642 -4.947 4.239 1.00 0.00 C ATOM 683 CG PHE A 47 -7.703 -5.685 5.154 1.00 0.00 C ATOM 684 CD1 PHE A 47 -7.992 -5.825 6.502 1.00 0.00 C ATOM 685 CD2 PHE A 47 -6.528 -6.227 4.664 1.00 0.00 C ATOM 686 CE1 PHE A 47 -7.126 -6.496 7.341 1.00 0.00 C ATOM 687 CE2 PHE A 47 -5.657 -6.897 5.499 1.00 0.00 C ATOM 688 CZ PHE A 47 -5.958 -7.034 6.839 1.00 0.00 C ATOM 0 H PHE A 47 -9.667 -7.091 2.704 1.00 0.00 H new ATOM 0 HA PHE A 47 -10.490 -5.578 5.103 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -8.192 -4.888 3.248 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -8.752 -3.925 4.600 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -8.904 -5.405 6.900 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.290 -6.125 3.616 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -7.362 -6.600 8.390 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -4.742 -7.313 5.105 1.00 0.00 H new ATOM 0 HZ PHE A 47 -5.281 -7.562 7.494 1.00 0.00 H new ATOM 698 N PRO A 48 -12.214 -4.767 3.328 1.00 0.00 N ATOM 699 CA PRO A 48 -13.132 -4.005 2.478 1.00 0.00 C ATOM 700 C PRO A 48 -13.184 -2.517 2.872 1.00 0.00 C ATOM 701 O PRO A 48 -13.348 -1.630 2.041 1.00 0.00 O ATOM 702 CB PRO A 48 -14.473 -4.674 2.766 1.00 0.00 C ATOM 703 CG PRO A 48 -14.351 -5.076 4.191 1.00 0.00 C ATOM 704 CD PRO A 48 -12.947 -5.556 4.348 1.00 0.00 C ATOM 0 HA PRO A 48 -12.839 -4.013 1.428 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -15.307 -3.989 2.611 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -14.642 -5.534 2.118 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -14.556 -4.236 4.855 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -15.065 -5.861 4.440 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.566 -5.371 5.353 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -12.863 -6.628 4.167 1.00 0.00 H new ATOM 712 N ASN A 49 -12.942 -2.293 4.140 1.00 0.00 N ATOM 713 CA ASN A 49 -13.073 -0.992 4.811 1.00 0.00 C ATOM 714 C ASN A 49 -12.148 0.098 4.240 1.00 0.00 C ATOM 715 O ASN A 49 -12.482 1.274 4.257 1.00 0.00 O ATOM 716 CB ASN A 49 -12.764 -1.216 6.298 1.00 0.00 C ATOM 717 CG ASN A 49 -12.789 0.026 7.172 1.00 0.00 C ATOM 718 OD1 ASN A 49 -13.557 0.962 6.954 1.00 0.00 O ATOM 719 ND2 ASN A 49 -11.934 0.039 8.162 1.00 0.00 N ATOM 0 H ASN A 49 -12.635 -3.032 4.772 1.00 0.00 H new ATOM 0 HA ASN A 49 -14.087 -0.625 4.651 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -13.484 -1.932 6.696 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -11.779 -1.675 6.380 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -11.888 0.845 8.786 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -11.313 -0.757 8.310 1.00 0.00 H new ATOM 726 N LYS A 50 -11.019 -0.284 3.711 1.00 0.00 N ATOM 727 CA LYS A 50 -10.070 0.689 3.217 1.00 0.00 C ATOM 728 C LYS A 50 -10.138 0.841 1.691 1.00 0.00 C ATOM 729 O LYS A 50 -9.258 1.460 1.094 1.00 0.00 O ATOM 730 CB LYS A 50 -8.673 0.287 3.659 1.00 0.00 C ATOM 731 CG LYS A 50 -8.419 0.209 5.190 1.00 0.00 C ATOM 732 CD LYS A 50 -8.436 1.574 5.933 1.00 0.00 C ATOM 733 CE LYS A 50 -9.841 2.094 6.252 1.00 0.00 C ATOM 734 NZ LYS A 50 -9.805 3.332 7.059 1.00 0.00 N ATOM 0 H LYS A 50 -10.729 -1.257 3.609 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.324 1.662 3.637 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.447 -0.688 3.227 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.964 0.997 3.233 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.175 -0.438 5.635 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.453 -0.266 5.358 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.876 1.476 6.863 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.916 2.314 5.324 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.377 2.283 5.322 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.398 1.327 6.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.532 3.284 7.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -8.868 3.432 7.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -9.989 4.152 6.446 1.00 0.00 H new ATOM 748 N ASN A 51 -11.207 0.296 1.097 1.00 0.00 N ATOM 749 CA ASN A 51 -11.460 0.300 -0.369 1.00 0.00 C ATOM 750 C ASN A 51 -10.211 -0.094 -1.147 1.00 0.00 C ATOM 751 O ASN A 51 -9.665 0.681 -1.964 1.00 0.00 O ATOM 752 CB ASN A 51 -12.001 1.642 -0.890 1.00 0.00 C ATOM 753 CG ASN A 51 -12.660 1.471 -2.255 1.00 0.00 C ATOM 754 OD1 ASN A 51 -13.200 0.407 -2.558 1.00 0.00 O ATOM 755 ND2 ASN A 51 -12.660 2.491 -3.063 1.00 0.00 N ATOM 0 H ASN A 51 -11.943 -0.173 1.625 1.00 0.00 H new ATOM 0 HA ASN A 51 -12.238 -0.445 -0.535 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -12.723 2.047 -0.181 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -11.187 2.363 -0.963 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -13.115 2.421 -3.973 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -12.205 3.361 -2.786 1.00 0.00 H new ATOM 762 N LEU A 52 -9.726 -1.258 -0.843 1.00 0.00 N ATOM 763 CA LEU A 52 -8.538 -1.779 -1.430 1.00 0.00 C ATOM 764 C LEU A 52 -8.926 -2.288 -2.808 1.00 0.00 C ATOM 765 O LEU A 52 -9.478 -3.359 -2.919 1.00 0.00 O ATOM 766 CB LEU A 52 -8.015 -2.910 -0.535 1.00 0.00 C ATOM 767 CG LEU A 52 -6.522 -3.184 -0.559 1.00 0.00 C ATOM 768 CD1 LEU A 52 -5.757 -1.992 0.008 1.00 0.00 C ATOM 769 CD2 LEU A 52 -6.207 -4.437 0.233 1.00 0.00 C ATOM 0 H LEU A 52 -10.158 -1.884 -0.163 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.748 -1.034 -1.524 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.300 -2.686 0.493 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.531 -3.828 -0.816 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.211 -3.337 -1.592 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.688 -2.202 -0.015 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.966 -1.107 -0.592 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.070 -1.815 1.037 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.133 -4.623 0.208 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.529 -4.305 1.266 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.732 -5.286 -0.205 1.00 0.00 H new ATOM 781 N LYS A 53 -8.753 -1.490 -3.830 1.00 0.00 N ATOM 782 CA LYS A 53 -9.224 -1.875 -5.155 1.00 0.00 C ATOM 783 C LYS A 53 -8.184 -1.644 -6.200 1.00 0.00 C ATOM 784 O LYS A 53 -7.314 -0.773 -6.045 1.00 0.00 O ATOM 785 CB LYS A 53 -10.469 -1.090 -5.548 1.00 0.00 C ATOM 786 CG LYS A 53 -11.735 -1.277 -4.695 1.00 0.00 C ATOM 787 CD LYS A 53 -12.551 -2.521 -5.073 1.00 0.00 C ATOM 788 CE LYS A 53 -12.074 -3.814 -4.425 1.00 0.00 C ATOM 789 NZ LYS A 53 -12.358 -3.850 -2.981 1.00 0.00 N ATOM 0 H LYS A 53 -8.297 -0.579 -3.783 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.455 -2.939 -5.099 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -10.213 -0.030 -5.539 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -10.717 -1.350 -6.577 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.449 -1.345 -3.645 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -12.366 -0.394 -4.797 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -13.592 -2.354 -4.796 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -12.524 -2.642 -6.156 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -12.558 -4.662 -4.910 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.002 -3.925 -4.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -12.720 -4.790 -2.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.485 -3.657 -2.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -13.071 -3.129 -2.749 1.00 0.00 H new ATOM 803 N LYS A 54 -8.338 -2.392 -7.296 1.00 0.00 N ATOM 804 CA LYS A 54 -7.449 -2.360 -8.452 1.00 0.00 C ATOM 805 C LYS A 54 -5.985 -2.400 -8.011 1.00 0.00 C ATOM 806 O LYS A 54 -5.623 -3.127 -7.083 1.00 0.00 O ATOM 807 CB LYS A 54 -7.763 -1.114 -9.324 1.00 0.00 C ATOM 808 CG LYS A 54 -9.166 -1.107 -9.914 1.00 0.00 C ATOM 809 CD LYS A 54 -9.367 -2.288 -10.854 1.00 0.00 C ATOM 810 CE LYS A 54 -10.744 -2.279 -11.488 1.00 0.00 C ATOM 811 NZ LYS A 54 -10.981 -1.067 -12.296 1.00 0.00 N ATOM 0 H LYS A 54 -9.107 -3.054 -7.403 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.620 -3.247 -9.062 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.630 -0.217 -8.719 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.038 -1.060 -10.136 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.902 -1.147 -9.111 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.333 -0.175 -10.454 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.608 -2.263 -11.635 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.227 -3.218 -10.303 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.857 -3.161 -12.118 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.501 -2.346 -10.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.821 -1.207 -12.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.136 -0.254 -11.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.154 -0.885 -12.899 1.00 0.00 H new ATOM 825 N ASN A 55 -5.171 -1.689 -8.707 1.00 0.00 N ATOM 826 CA ASN A 55 -3.791 -1.520 -8.384 1.00 0.00 C ATOM 827 C ASN A 55 -3.606 -0.048 -8.040 1.00 0.00 C ATOM 828 O ASN A 55 -2.614 0.586 -8.372 1.00 0.00 O ATOM 829 CB ASN A 55 -2.947 -1.976 -9.595 1.00 0.00 C ATOM 830 CG ASN A 55 -3.206 -1.190 -10.874 1.00 0.00 C ATOM 831 OD1 ASN A 55 -2.363 -0.262 -11.174 1.00 0.00 O flip ATOM 832 ND2 ASN A 55 -4.151 -1.472 -11.611 1.00 0.00 N flip ATOM 0 H ASN A 55 -5.454 -1.189 -9.549 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.467 -2.120 -7.534 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.891 -1.892 -9.339 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.146 -3.031 -9.785 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -4.801 -2.212 -11.346 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -4.284 -0.966 -12.487 1.00 0.00 H new ATOM 839 N TYR A 56 -4.606 0.470 -7.350 1.00 0.00 N ATOM 840 CA TYR A 56 -4.648 1.843 -6.931 1.00 0.00 C ATOM 841 C TYR A 56 -3.891 2.028 -5.661 1.00 0.00 C ATOM 842 O TYR A 56 -4.046 1.234 -4.738 1.00 0.00 O ATOM 843 CB TYR A 56 -6.093 2.307 -6.741 1.00 0.00 C ATOM 844 CG TYR A 56 -6.894 2.512 -8.015 1.00 0.00 C ATOM 845 CD1 TYR A 56 -6.277 2.789 -9.242 1.00 0.00 C ATOM 846 CD2 TYR A 56 -8.280 2.464 -7.981 1.00 0.00 C ATOM 847 CE1 TYR A 56 -7.027 3.007 -10.379 1.00 0.00 C ATOM 848 CE2 TYR A 56 -9.030 2.674 -9.115 1.00 0.00 C ATOM 849 CZ TYR A 56 -8.402 2.948 -10.310 1.00 0.00 C ATOM 850 OH TYR A 56 -9.153 3.176 -11.440 1.00 0.00 O ATOM 0 H TYR A 56 -5.423 -0.069 -7.064 1.00 0.00 H new ATOM 0 HA TYR A 56 -4.184 2.445 -7.712 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -6.611 1.575 -6.122 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -6.084 3.245 -6.185 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -5.199 2.832 -9.298 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -8.780 2.258 -7.046 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -6.539 3.223 -11.318 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -10.108 2.624 -9.068 1.00 0.00 H new ATOM 0 HH TYR A 56 -10.105 3.096 -11.222 1.00 0.00 H new ATOM 860 N CYS A 57 -3.097 3.089 -5.592 1.00 0.00 N ATOM 861 CA CYS A 57 -2.335 3.343 -4.397 1.00 0.00 C ATOM 862 C CYS A 57 -3.277 3.640 -3.273 1.00 0.00 C ATOM 863 O CYS A 57 -4.238 4.412 -3.427 1.00 0.00 O ATOM 864 CB CYS A 57 -1.339 4.481 -4.576 1.00 0.00 C ATOM 865 SG CYS A 57 -0.054 4.174 -5.834 1.00 0.00 S ATOM 0 H CYS A 57 -2.971 3.771 -6.340 1.00 0.00 H new ATOM 0 HA CYS A 57 -1.750 2.452 -4.170 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.885 5.385 -4.846 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -0.854 4.675 -3.620 1.00 0.00 H new ATOM 870 N ARG A 58 -3.055 3.005 -2.184 1.00 0.00 N ATOM 871 CA ARG A 58 -3.893 3.131 -1.046 1.00 0.00 C ATOM 872 C ARG A 58 -3.028 3.263 0.172 1.00 0.00 C ATOM 873 O ARG A 58 -1.814 3.096 0.091 1.00 0.00 O ATOM 874 CB ARG A 58 -4.810 1.888 -0.923 1.00 0.00 C ATOM 875 CG ARG A 58 -5.936 1.784 -1.956 1.00 0.00 C ATOM 876 CD ARG A 58 -6.894 2.962 -1.829 1.00 0.00 C ATOM 877 NE ARG A 58 -8.051 2.868 -2.733 1.00 0.00 N ATOM 878 CZ ARG A 58 -8.281 3.706 -3.748 1.00 0.00 C ATOM 879 NH1 ARG A 58 -7.315 4.521 -4.178 1.00 0.00 N ATOM 880 NH2 ARG A 58 -9.454 3.683 -4.373 1.00 0.00 N ATOM 0 H ARG A 58 -2.269 2.368 -2.053 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.525 4.013 -1.144 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.190 0.994 -0.998 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.254 1.885 0.072 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.514 1.759 -2.960 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.480 0.850 -1.816 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -7.249 3.024 -0.800 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.353 3.886 -2.036 1.00 0.00 H new ATOM 0 HE ARG A 58 -8.720 2.115 -2.575 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.398 4.505 -3.731 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -7.494 5.159 -4.953 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -10.177 3.026 -4.078 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -9.632 4.322 -5.148 1.00 0.00 H new ATOM 894 N ASN A 59 -3.630 3.588 1.256 1.00 0.00 N ATOM 895 CA ASN A 59 -2.951 3.626 2.525 1.00 0.00 C ATOM 896 C ASN A 59 -3.919 3.023 3.535 1.00 0.00 C ATOM 897 O ASN A 59 -4.708 3.727 4.142 1.00 0.00 O ATOM 898 CB ASN A 59 -2.527 5.064 2.965 1.00 0.00 C ATOM 899 CG ASN A 59 -1.561 5.021 4.147 1.00 0.00 C ATOM 900 OD1 ASN A 59 -1.483 4.036 4.838 1.00 0.00 O ATOM 901 ND2 ASN A 59 -0.869 6.110 4.420 1.00 0.00 N ATOM 0 H ASN A 59 -4.617 3.840 1.302 1.00 0.00 H new ATOM 0 HA ASN A 59 -2.017 3.069 2.454 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.057 5.579 2.127 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.412 5.639 3.237 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.251 6.131 5.231 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.952 6.931 3.820 1.00 0.00 H new ATOM 908 N PRO A 60 -3.944 1.691 3.638 1.00 0.00 N ATOM 909 CA PRO A 60 -4.916 0.982 4.480 1.00 0.00 C ATOM 910 C PRO A 60 -4.475 0.848 5.940 1.00 0.00 C ATOM 911 O PRO A 60 -5.288 0.869 6.870 1.00 0.00 O ATOM 912 CB PRO A 60 -4.951 -0.396 3.814 1.00 0.00 C ATOM 913 CG PRO A 60 -3.549 -0.603 3.331 1.00 0.00 C ATOM 914 CD PRO A 60 -3.036 0.754 2.928 1.00 0.00 C ATOM 0 HA PRO A 60 -5.872 1.503 4.537 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -5.249 -1.172 4.519 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -5.665 -0.423 2.990 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -2.928 -1.036 4.115 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -3.526 -1.293 2.488 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -1.998 0.896 3.228 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.078 0.895 1.848 1.00 0.00 H new ATOM 922 N ASP A 61 -3.206 0.713 6.111 1.00 0.00 N ATOM 923 CA ASP A 61 -2.588 0.472 7.381 1.00 0.00 C ATOM 924 C ASP A 61 -2.040 1.730 8.015 1.00 0.00 C ATOM 925 O ASP A 61 -1.539 1.691 9.148 1.00 0.00 O ATOM 926 CB ASP A 61 -1.480 -0.557 7.216 1.00 0.00 C ATOM 927 CG ASP A 61 -0.510 -0.275 6.068 1.00 0.00 C ATOM 928 OD1 ASP A 61 -0.577 0.805 5.431 1.00 0.00 O ATOM 929 OD2 ASP A 61 0.306 -1.158 5.772 1.00 0.00 O ATOM 0 H ASP A 61 -2.538 0.769 5.342 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.358 0.094 8.053 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.914 -0.613 8.146 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.933 -1.536 7.059 1.00 0.00 H new ATOM 934 N ARG A 62 -2.129 2.823 7.296 1.00 0.00 N ATOM 935 CA ARG A 62 -1.658 4.126 7.746 1.00 0.00 C ATOM 936 C ARG A 62 -0.152 4.179 7.867 1.00 0.00 C ATOM 937 O ARG A 62 0.411 4.289 8.965 1.00 0.00 O ATOM 938 CB ARG A 62 -2.377 4.643 8.990 1.00 0.00 C ATOM 939 CG ARG A 62 -3.840 4.935 8.741 1.00 0.00 C ATOM 940 CD ARG A 62 -4.568 5.254 10.024 1.00 0.00 C ATOM 941 NE ARG A 62 -4.488 4.136 10.965 1.00 0.00 N ATOM 942 CZ ARG A 62 -5.355 3.119 11.018 1.00 0.00 C ATOM 943 NH1 ARG A 62 -6.413 3.086 10.208 1.00 0.00 N ATOM 944 NH2 ARG A 62 -5.154 2.133 11.874 1.00 0.00 N ATOM 0 H ARG A 62 -2.538 2.840 6.362 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.930 4.827 6.957 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.289 3.906 9.788 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.884 5.551 9.338 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.932 5.774 8.051 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.307 4.075 8.261 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.138 6.147 10.478 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -5.613 5.478 9.808 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.714 4.132 11.629 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.567 3.841 9.540 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -7.068 2.306 10.256 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -4.341 2.150 12.490 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -5.812 1.355 11.919 1.00 0.00 H new ATOM 958 N ASP A 63 0.493 3.964 6.750 1.00 0.00 N ATOM 959 CA ASP A 63 1.929 4.087 6.637 1.00 0.00 C ATOM 960 C ASP A 63 2.226 5.594 6.472 1.00 0.00 C ATOM 961 O ASP A 63 1.325 6.430 6.673 1.00 0.00 O ATOM 962 CB ASP A 63 2.424 3.296 5.406 1.00 0.00 C ATOM 963 CG ASP A 63 3.894 2.885 5.475 1.00 0.00 C ATOM 964 OD1 ASP A 63 4.716 3.598 6.096 1.00 0.00 O ATOM 965 OD2 ASP A 63 4.250 1.840 4.905 1.00 0.00 O ATOM 0 H ASP A 63 0.033 3.695 5.880 1.00 0.00 H new ATOM 0 HA ASP A 63 2.439 3.686 7.513 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.813 2.400 5.294 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.269 3.901 4.513 1.00 0.00 H new ATOM 970 N LEU A 64 3.430 5.946 6.092 1.00 0.00 N ATOM 971 CA LEU A 64 3.832 7.351 5.977 1.00 0.00 C ATOM 972 C LEU A 64 2.970 8.136 4.972 1.00 0.00 C ATOM 973 O LEU A 64 2.672 9.313 5.177 1.00 0.00 O ATOM 974 CB LEU A 64 5.322 7.476 5.638 1.00 0.00 C ATOM 975 CG LEU A 64 6.301 6.762 6.587 1.00 0.00 C ATOM 976 CD1 LEU A 64 7.734 6.993 6.153 1.00 0.00 C ATOM 977 CD2 LEU A 64 6.104 7.208 8.024 1.00 0.00 C ATOM 0 H LEU A 64 4.165 5.280 5.852 1.00 0.00 H new ATOM 0 HA LEU A 64 3.663 7.802 6.955 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.477 7.088 4.631 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.580 8.535 5.615 1.00 0.00 H new ATOM 0 HG LEU A 64 6.090 5.694 6.535 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.409 6.479 6.838 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.876 6.605 5.144 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.950 8.061 6.164 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.811 6.685 8.668 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.273 8.282 8.098 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.087 6.978 8.340 1.00 0.00 H new ATOM 989 N ARG A 65 2.571 7.481 3.922 1.00 0.00 N ATOM 990 CA ARG A 65 1.720 8.048 2.905 1.00 0.00 C ATOM 991 C ARG A 65 1.253 6.872 2.088 1.00 0.00 C ATOM 992 O ARG A 65 1.745 5.764 2.346 1.00 0.00 O ATOM 993 CB ARG A 65 2.492 9.061 2.028 1.00 0.00 C ATOM 994 CG ARG A 65 3.568 8.461 1.142 1.00 0.00 C ATOM 995 CD ARG A 65 4.216 9.531 0.299 1.00 0.00 C ATOM 996 NE ARG A 65 4.942 10.513 1.121 1.00 0.00 N ATOM 997 CZ ARG A 65 5.072 11.809 0.835 1.00 0.00 C ATOM 998 NH1 ARG A 65 4.361 12.343 -0.145 1.00 0.00 N ATOM 999 NH2 ARG A 65 5.883 12.574 1.564 1.00 0.00 N ATOM 0 H ARG A 65 2.832 6.512 3.740 1.00 0.00 H new ATOM 0 HA ARG A 65 0.887 8.603 3.337 1.00 0.00 H new ATOM 0 HB2 ARG A 65 1.777 9.589 1.397 1.00 0.00 H new ATOM 0 HB3 ARG A 65 2.953 9.804 2.679 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.321 7.969 1.757 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.133 7.697 0.498 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.905 9.069 -0.408 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.453 10.042 -0.288 1.00 0.00 H new ATOM 0 HE ARG A 65 5.381 10.175 1.978 1.00 0.00 H new ATOM 0 HH11 ARG A 65 3.715 11.763 -0.680 1.00 0.00 H new ATOM 0 HH12 ARG A 65 4.459 13.334 -0.365 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.405 12.168 2.341 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.982 13.565 1.345 1.00 0.00 H new ATOM 1013 N PRO A 66 0.293 7.034 1.138 1.00 0.00 N ATOM 1014 CA PRO A 66 -0.142 5.932 0.295 1.00 0.00 C ATOM 1015 C PRO A 66 1.007 5.308 -0.439 1.00 0.00 C ATOM 1016 O PRO A 66 2.033 5.945 -0.720 1.00 0.00 O ATOM 1017 CB PRO A 66 -1.148 6.575 -0.650 1.00 0.00 C ATOM 1018 CG PRO A 66 -1.687 7.661 0.180 1.00 0.00 C ATOM 1019 CD PRO A 66 -0.472 8.253 0.821 1.00 0.00 C ATOM 0 HA PRO A 66 -0.577 5.111 0.865 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.675 6.950 -1.558 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.923 5.874 -0.961 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.222 8.397 -0.421 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.390 7.286 0.924 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.069 8.917 0.147 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.715 8.832 1.712 1.00 0.00 H new ATOM 1027 N TRP A 67 0.825 4.107 -0.763 1.00 0.00 N ATOM 1028 CA TRP A 67 1.836 3.282 -1.267 1.00 0.00 C ATOM 1029 C TRP A 67 1.146 2.195 -2.030 1.00 0.00 C ATOM 1030 O TRP A 67 -0.103 2.188 -2.090 1.00 0.00 O ATOM 1031 CB TRP A 67 2.669 2.718 -0.078 1.00 0.00 C ATOM 1032 CG TRP A 67 1.846 1.972 0.943 1.00 0.00 C ATOM 1033 CD1 TRP A 67 1.215 2.485 2.051 1.00 0.00 C ATOM 1034 CD2 TRP A 67 1.565 0.582 0.938 1.00 0.00 C ATOM 1035 NE1 TRP A 67 0.554 1.481 2.718 1.00 0.00 N ATOM 1036 CE2 TRP A 67 0.752 0.311 2.049 1.00 0.00 C ATOM 1037 CE3 TRP A 67 1.921 -0.462 0.093 1.00 0.00 C ATOM 1038 CZ2 TRP A 67 0.295 -0.955 2.324 1.00 0.00 C ATOM 1039 CZ3 TRP A 67 1.469 -1.714 0.371 1.00 0.00 C ATOM 1040 CH2 TRP A 67 0.661 -1.954 1.474 1.00 0.00 C ATOM 0 H TRP A 67 -0.079 3.641 -0.682 1.00 0.00 H new ATOM 0 HA TRP A 67 2.527 3.813 -1.921 1.00 0.00 H new ATOM 0 HB2 TRP A 67 3.437 2.051 -0.469 1.00 0.00 H new ATOM 0 HB3 TRP A 67 3.184 3.542 0.416 1.00 0.00 H new ATOM 0 HD1 TRP A 67 1.235 3.522 2.353 1.00 0.00 H new ATOM 0 HE1 TRP A 67 0.007 1.593 3.571 1.00 0.00 H new ATOM 0 HE3 TRP A 67 2.546 -0.282 -0.769 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -0.331 -1.151 3.182 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 1.743 -2.534 -0.276 1.00 0.00 H new ATOM 0 HH2 TRP A 67 0.314 -2.959 1.663 1.00 0.00 H new ATOM 1051 N CYS A 68 1.888 1.306 -2.602 1.00 0.00 N ATOM 1052 CA CYS A 68 1.303 0.242 -3.336 1.00 0.00 C ATOM 1053 C CYS A 68 2.355 -0.825 -3.548 1.00 0.00 C ATOM 1054 O CYS A 68 3.552 -0.566 -3.328 1.00 0.00 O ATOM 1055 CB CYS A 68 0.788 0.773 -4.674 1.00 0.00 C ATOM 1056 SG CYS A 68 -0.824 0.105 -5.160 1.00 0.00 S ATOM 0 H CYS A 68 2.908 1.299 -2.573 1.00 0.00 H new ATOM 0 HA CYS A 68 0.461 -0.186 -2.792 1.00 0.00 H new ATOM 0 HB2 CYS A 68 0.718 1.859 -4.620 1.00 0.00 H new ATOM 0 HB3 CYS A 68 1.516 0.539 -5.451 1.00 0.00 H new ATOM 1061 N PHE A 69 1.936 -2.017 -3.914 1.00 0.00 N ATOM 1062 CA PHE A 69 2.875 -3.062 -4.224 1.00 0.00 C ATOM 1063 C PHE A 69 3.351 -2.868 -5.626 1.00 0.00 C ATOM 1064 O PHE A 69 2.585 -2.474 -6.478 1.00 0.00 O ATOM 1065 CB PHE A 69 2.267 -4.455 -4.044 1.00 0.00 C ATOM 1066 CG PHE A 69 2.287 -4.950 -2.627 1.00 0.00 C ATOM 1067 CD1 PHE A 69 1.326 -4.561 -1.725 1.00 0.00 C ATOM 1068 CD2 PHE A 69 3.287 -5.809 -2.202 1.00 0.00 C ATOM 1069 CE1 PHE A 69 1.356 -5.017 -0.423 1.00 0.00 C ATOM 1070 CE2 PHE A 69 3.324 -6.267 -0.902 1.00 0.00 C ATOM 1071 CZ PHE A 69 2.356 -5.869 -0.010 1.00 0.00 C ATOM 0 H PHE A 69 0.955 -2.282 -4.003 1.00 0.00 H new ATOM 0 HA PHE A 69 3.713 -3.000 -3.530 1.00 0.00 H new ATOM 0 HB2 PHE A 69 1.236 -4.439 -4.398 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.809 -5.161 -4.673 1.00 0.00 H new ATOM 0 HD1 PHE A 69 0.539 -3.891 -2.039 1.00 0.00 H new ATOM 0 HD2 PHE A 69 4.049 -6.125 -2.899 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.593 -4.705 0.274 1.00 0.00 H new ATOM 0 HE2 PHE A 69 4.110 -6.936 -0.585 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.380 -6.223 1.010 1.00 0.00 H new ATOM 1081 N THR A 70 4.587 -3.098 -5.864 1.00 0.00 N ATOM 1082 CA THR A 70 5.124 -2.879 -7.152 1.00 0.00 C ATOM 1083 C THR A 70 4.901 -4.107 -8.024 1.00 0.00 C ATOM 1084 O THR A 70 4.874 -5.243 -7.526 1.00 0.00 O ATOM 1085 CB THR A 70 6.614 -2.630 -7.034 1.00 0.00 C ATOM 1086 OG1 THR A 70 6.891 -2.017 -5.769 1.00 0.00 O ATOM 1087 CG2 THR A 70 7.065 -1.700 -8.123 1.00 0.00 C ATOM 0 H THR A 70 5.254 -3.443 -5.173 1.00 0.00 H new ATOM 0 HA THR A 70 4.631 -2.018 -7.602 1.00 0.00 H new ATOM 0 HB THR A 70 7.141 -3.580 -7.120 1.00 0.00 H new ATOM 0 HG1 THR A 70 7.433 -2.624 -5.223 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.137 -1.526 -8.032 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.851 -2.146 -9.094 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.534 -0.752 -8.035 1.00 0.00 H new ATOM 1095 N THR A 71 4.717 -3.896 -9.305 1.00 0.00 N ATOM 1096 CA THR A 71 4.593 -5.001 -10.207 1.00 0.00 C ATOM 1097 C THR A 71 5.992 -5.431 -10.708 1.00 0.00 C ATOM 1098 O THR A 71 6.121 -6.400 -11.471 1.00 0.00 O ATOM 1099 CB THR A 71 3.632 -4.678 -11.402 1.00 0.00 C ATOM 1100 OG1 THR A 71 3.350 -5.865 -12.162 1.00 0.00 O ATOM 1101 CG2 THR A 71 4.232 -3.638 -12.331 1.00 0.00 C ATOM 0 H THR A 71 4.651 -2.975 -9.738 1.00 0.00 H new ATOM 0 HA THR A 71 4.144 -5.833 -9.664 1.00 0.00 H new ATOM 0 HB THR A 71 2.710 -4.284 -10.973 1.00 0.00 H new ATOM 0 HG1 THR A 71 4.176 -6.377 -12.288 1.00 0.00 H new ATOM 0 HG21 THR A 71 3.539 -3.438 -13.149 1.00 0.00 H new ATOM 0 HG22 THR A 71 4.415 -2.717 -11.777 1.00 0.00 H new ATOM 0 HG23 THR A 71 5.173 -4.011 -12.736 1.00 0.00 H new ATOM 1109 N ASP A 72 7.041 -4.731 -10.249 1.00 0.00 N ATOM 1110 CA ASP A 72 8.391 -5.056 -10.629 1.00 0.00 C ATOM 1111 C ASP A 72 8.860 -6.103 -9.651 1.00 0.00 C ATOM 1112 O ASP A 72 8.833 -5.841 -8.467 1.00 0.00 O ATOM 1113 CB ASP A 72 9.267 -3.806 -10.520 1.00 0.00 C ATOM 1114 CG ASP A 72 10.675 -4.024 -11.002 1.00 0.00 C ATOM 1115 OD1 ASP A 72 11.520 -4.523 -10.236 1.00 0.00 O ATOM 1116 OD2 ASP A 72 10.973 -3.667 -12.163 1.00 0.00 O ATOM 0 H ASP A 72 6.962 -3.937 -9.613 1.00 0.00 H new ATOM 0 HA ASP A 72 8.448 -5.419 -11.655 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.813 -3.001 -11.098 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.292 -3.478 -9.481 1.00 0.00 H new ATOM 1121 N PRO A 73 9.259 -7.309 -10.114 1.00 0.00 N ATOM 1122 CA PRO A 73 9.608 -8.440 -9.231 1.00 0.00 C ATOM 1123 C PRO A 73 10.586 -8.086 -8.105 1.00 0.00 C ATOM 1124 O PRO A 73 10.404 -8.520 -6.959 1.00 0.00 O ATOM 1125 CB PRO A 73 10.208 -9.498 -10.169 1.00 0.00 C ATOM 1126 CG PRO A 73 10.367 -8.829 -11.495 1.00 0.00 C ATOM 1127 CD PRO A 73 9.399 -7.680 -11.528 1.00 0.00 C ATOM 0 HA PRO A 73 8.721 -8.785 -8.700 1.00 0.00 H new ATOM 0 HB2 PRO A 73 11.168 -9.853 -9.794 1.00 0.00 H new ATOM 0 HB3 PRO A 73 9.554 -10.367 -10.246 1.00 0.00 H new ATOM 0 HG2 PRO A 73 11.389 -8.475 -11.628 1.00 0.00 H new ATOM 0 HG3 PRO A 73 10.163 -9.528 -12.306 1.00 0.00 H new ATOM 0 HD2 PRO A 73 9.780 -6.851 -12.125 1.00 0.00 H new ATOM 0 HD3 PRO A 73 8.443 -7.973 -11.963 1.00 0.00 H new ATOM 1135 N ASN A 74 11.557 -7.250 -8.418 1.00 0.00 N ATOM 1136 CA ASN A 74 12.588 -6.850 -7.469 1.00 0.00 C ATOM 1137 C ASN A 74 12.010 -6.021 -6.325 1.00 0.00 C ATOM 1138 O ASN A 74 12.393 -6.194 -5.163 1.00 0.00 O ATOM 1139 CB ASN A 74 13.683 -6.048 -8.189 1.00 0.00 C ATOM 1140 CG ASN A 74 14.834 -5.631 -7.286 1.00 0.00 C ATOM 1141 OD1 ASN A 74 14.810 -4.565 -6.663 1.00 0.00 O ATOM 1142 ND2 ASN A 74 15.856 -6.442 -7.235 1.00 0.00 N ATOM 0 H ASN A 74 11.657 -6.825 -9.340 1.00 0.00 H new ATOM 0 HA ASN A 74 13.017 -7.757 -7.044 1.00 0.00 H new ATOM 0 HB2 ASN A 74 14.077 -6.646 -9.011 1.00 0.00 H new ATOM 0 HB3 ASN A 74 13.237 -5.156 -8.629 1.00 0.00 H new ATOM 0 HD21 ASN A 74 16.669 -6.203 -6.667 1.00 0.00 H new ATOM 0 HD22 ASN A 74 15.841 -7.315 -7.763 1.00 0.00 H new ATOM 1149 N LYS A 75 11.057 -5.174 -6.639 1.00 0.00 N ATOM 1150 CA LYS A 75 10.532 -4.254 -5.669 1.00 0.00 C ATOM 1151 C LYS A 75 9.241 -4.786 -5.110 1.00 0.00 C ATOM 1152 O LYS A 75 8.306 -4.996 -5.848 1.00 0.00 O ATOM 1153 CB LYS A 75 10.244 -2.920 -6.320 1.00 0.00 C ATOM 1154 CG LYS A 75 10.225 -1.751 -5.338 1.00 0.00 C ATOM 1155 CD LYS A 75 11.523 -1.637 -4.545 1.00 0.00 C ATOM 1156 CE LYS A 75 11.596 -0.358 -3.719 1.00 0.00 C ATOM 1157 NZ LYS A 75 11.821 0.839 -4.559 1.00 0.00 N ATOM 0 H LYS A 75 10.631 -5.107 -7.563 1.00 0.00 H new ATOM 0 HA LYS A 75 11.270 -4.133 -4.876 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.997 -2.729 -7.085 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.281 -2.973 -6.827 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.054 -0.824 -5.885 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.390 -1.873 -4.648 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.617 -2.498 -3.883 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.368 -1.670 -5.232 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.669 -0.237 -3.158 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.401 -0.444 -2.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.897 1.680 -3.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.701 0.722 -5.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.023 0.957 -5.215 1.00 0.00 H new ATOM 1171 N ARG A 76 9.161 -4.945 -3.817 1.00 0.00 N ATOM 1172 CA ARG A 76 7.944 -5.499 -3.245 1.00 0.00 C ATOM 1173 C ARG A 76 6.886 -4.426 -3.190 1.00 0.00 C ATOM 1174 O ARG A 76 5.781 -4.598 -3.690 1.00 0.00 O ATOM 1175 CB ARG A 76 8.149 -6.098 -1.853 1.00 0.00 C ATOM 1176 CG ARG A 76 6.976 -7.006 -1.446 1.00 0.00 C ATOM 1177 CD ARG A 76 7.120 -7.620 -0.054 1.00 0.00 C ATOM 1178 NE ARG A 76 6.049 -8.616 0.202 1.00 0.00 N ATOM 1179 CZ ARG A 76 5.400 -8.810 1.371 1.00 0.00 C ATOM 1180 NH1 ARG A 76 5.690 -8.087 2.438 1.00 0.00 N ATOM 1181 NH2 ARG A 76 4.468 -9.748 1.478 1.00 0.00 N ATOM 0 H ARG A 76 9.895 -4.710 -3.149 1.00 0.00 H new ATOM 0 HA ARG A 76 7.629 -6.318 -3.892 1.00 0.00 H new ATOM 0 HB2 ARG A 76 9.076 -6.671 -1.836 1.00 0.00 H new ATOM 0 HB3 ARG A 76 8.258 -5.295 -1.124 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.053 -6.428 -1.483 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.880 -7.808 -2.178 1.00 0.00 H new ATOM 0 HD2 ARG A 76 8.095 -8.098 0.037 1.00 0.00 H new ATOM 0 HD3 ARG A 76 7.078 -6.834 0.700 1.00 0.00 H new ATOM 0 HE ARG A 76 5.777 -9.211 -0.580 1.00 0.00 H new ATOM 0 HH11 ARG A 76 6.413 -7.370 2.387 1.00 0.00 H new ATOM 0 HH12 ARG A 76 5.191 -8.246 3.313 1.00 0.00 H new ATOM 0 HH21 ARG A 76 4.236 -10.330 0.673 1.00 0.00 H new ATOM 0 HH22 ARG A 76 3.984 -9.887 2.365 1.00 0.00 H new ATOM 1195 N TRP A 77 7.241 -3.317 -2.606 1.00 0.00 N ATOM 1196 CA TRP A 77 6.350 -2.186 -2.508 1.00 0.00 C ATOM 1197 C TRP A 77 7.122 -0.910 -2.595 1.00 0.00 C ATOM 1198 O TRP A 77 8.353 -0.899 -2.413 1.00 0.00 O ATOM 1199 CB TRP A 77 5.511 -2.201 -1.204 1.00 0.00 C ATOM 1200 CG TRP A 77 6.318 -2.213 0.083 1.00 0.00 C ATOM 1201 CD1 TRP A 77 6.737 -3.305 0.783 1.00 0.00 C ATOM 1202 CD2 TRP A 77 6.779 -1.068 0.827 1.00 0.00 C ATOM 1203 NE1 TRP A 77 7.455 -2.910 1.889 1.00 0.00 N ATOM 1204 CE2 TRP A 77 7.488 -1.553 1.940 1.00 0.00 C ATOM 1205 CE3 TRP A 77 6.671 0.313 0.651 1.00 0.00 C ATOM 1206 CZ2 TRP A 77 8.080 -0.714 2.874 1.00 0.00 C ATOM 1207 CZ3 TRP A 77 7.260 1.144 1.580 1.00 0.00 C ATOM 1208 CH2 TRP A 77 7.956 0.630 2.678 1.00 0.00 C ATOM 0 H TRP A 77 8.157 -3.167 -2.182 1.00 0.00 H new ATOM 0 HA TRP A 77 5.655 -2.257 -3.345 1.00 0.00 H new ATOM 0 HB2 TRP A 77 4.861 -1.326 -1.199 1.00 0.00 H new ATOM 0 HB3 TRP A 77 4.864 -3.078 -1.217 1.00 0.00 H new ATOM 0 HD1 TRP A 77 6.535 -4.330 0.510 1.00 0.00 H new ATOM 0 HE1 TRP A 77 7.893 -3.537 2.564 1.00 0.00 H new ATOM 0 HE3 TRP A 77 6.138 0.721 -0.195 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 8.618 -1.110 3.723 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 7.182 2.214 1.457 1.00 0.00 H new ATOM 0 HH2 TRP A 77 8.405 1.311 3.386 1.00 0.00 H new ATOM 1219 N GLU A 78 6.411 0.143 -2.866 1.00 0.00 N ATOM 1220 CA GLU A 78 6.959 1.484 -2.904 1.00 0.00 C ATOM 1221 C GLU A 78 5.903 2.429 -2.423 1.00 0.00 C ATOM 1222 O GLU A 78 4.713 2.090 -2.434 1.00 0.00 O ATOM 1223 CB GLU A 78 7.364 1.945 -4.316 1.00 0.00 C ATOM 1224 CG GLU A 78 8.330 1.058 -5.046 1.00 0.00 C ATOM 1225 CD GLU A 78 8.922 1.725 -6.254 1.00 0.00 C ATOM 1226 OE1 GLU A 78 8.192 2.086 -7.170 1.00 0.00 O ATOM 1227 OE2 GLU A 78 10.151 1.898 -6.286 1.00 0.00 O ATOM 0 H GLU A 78 5.413 0.103 -3.072 1.00 0.00 H new ATOM 0 HA GLU A 78 7.855 1.478 -2.283 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.461 2.039 -4.919 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.802 2.940 -4.240 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.131 0.763 -4.368 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.820 0.145 -5.352 1.00 0.00 H new ATOM 1234 N TYR A 79 6.316 3.594 -1.997 1.00 0.00 N ATOM 1235 CA TYR A 79 5.395 4.620 -1.646 1.00 0.00 C ATOM 1236 C TYR A 79 4.886 5.277 -2.904 1.00 0.00 C ATOM 1237 O TYR A 79 5.559 5.267 -3.947 1.00 0.00 O ATOM 1238 CB TYR A 79 6.035 5.672 -0.739 1.00 0.00 C ATOM 1239 CG TYR A 79 6.266 5.235 0.688 1.00 0.00 C ATOM 1240 CD1 TYR A 79 5.228 5.268 1.608 1.00 0.00 C ATOM 1241 CD2 TYR A 79 7.514 4.813 1.122 1.00 0.00 C ATOM 1242 CE1 TYR A 79 5.423 4.897 2.920 1.00 0.00 C ATOM 1243 CE2 TYR A 79 7.718 4.436 2.436 1.00 0.00 C ATOM 1244 CZ TYR A 79 6.667 4.481 3.330 1.00 0.00 C ATOM 1245 OH TYR A 79 6.864 4.106 4.641 1.00 0.00 O ATOM 0 H TYR A 79 7.298 3.849 -1.887 1.00 0.00 H new ATOM 0 HA TYR A 79 4.572 4.165 -1.095 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.991 5.968 -1.171 1.00 0.00 H new ATOM 0 HB3 TYR A 79 5.400 6.558 -0.733 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.248 5.591 1.289 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.337 4.779 0.424 1.00 0.00 H new ATOM 0 HE1 TYR A 79 4.603 4.933 3.622 1.00 0.00 H new ATOM 0 HE2 TYR A 79 8.694 4.108 2.762 1.00 0.00 H new ATOM 0 HH TYR A 79 6.000 4.057 5.101 1.00 0.00 H new ATOM 1255 N CYS A 80 3.738 5.816 -2.825 1.00 0.00 N ATOM 1256 CA CYS A 80 3.158 6.512 -3.911 1.00 0.00 C ATOM 1257 C CYS A 80 3.181 7.986 -3.580 1.00 0.00 C ATOM 1258 O CYS A 80 2.695 8.402 -2.528 1.00 0.00 O ATOM 1259 CB CYS A 80 1.731 5.981 -4.132 1.00 0.00 C ATOM 1260 SG CYS A 80 1.683 4.270 -4.775 1.00 0.00 S ATOM 0 H CYS A 80 3.156 5.789 -1.987 1.00 0.00 H new ATOM 0 HA CYS A 80 3.710 6.360 -4.838 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.186 6.022 -3.189 1.00 0.00 H new ATOM 0 HB3 CYS A 80 1.211 6.638 -4.829 1.00 0.00 H new ATOM 1265 N ASP A 81 3.756 8.776 -4.454 1.00 0.00 N ATOM 1266 CA ASP A 81 3.873 10.198 -4.203 1.00 0.00 C ATOM 1267 C ASP A 81 2.759 10.928 -4.874 1.00 0.00 C ATOM 1268 O ASP A 81 2.780 11.183 -6.087 1.00 0.00 O ATOM 1269 CB ASP A 81 5.236 10.761 -4.619 1.00 0.00 C ATOM 1270 CG ASP A 81 5.360 12.263 -4.353 1.00 0.00 C ATOM 1271 OD1 ASP A 81 5.558 12.670 -3.173 1.00 0.00 O ATOM 1272 OD2 ASP A 81 5.285 13.058 -5.322 1.00 0.00 O ATOM 0 H ASP A 81 4.149 8.464 -5.342 1.00 0.00 H new ATOM 0 HA ASP A 81 3.799 10.348 -3.126 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.023 10.234 -4.079 1.00 0.00 H new ATOM 0 HB3 ASP A 81 5.395 10.570 -5.680 1.00 0.00 H new ATOM 1277 N ILE A 82 1.759 11.166 -4.114 1.00 0.00 N ATOM 1278 CA ILE A 82 0.605 11.862 -4.560 1.00 0.00 C ATOM 1279 C ILE A 82 0.706 13.269 -4.000 1.00 0.00 C ATOM 1280 O ILE A 82 1.211 13.425 -2.869 1.00 0.00 O ATOM 1281 CB ILE A 82 -0.671 11.180 -3.985 1.00 0.00 C ATOM 1282 CG1 ILE A 82 -0.612 9.662 -4.230 1.00 0.00 C ATOM 1283 CG2 ILE A 82 -1.931 11.768 -4.620 1.00 0.00 C ATOM 1284 CD1 ILE A 82 -1.731 8.882 -3.580 1.00 0.00 C ATOM 0 H ILE A 82 1.715 10.876 -3.137 1.00 0.00 H new ATOM 0 HA ILE A 82 0.543 11.863 -5.648 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.709 11.366 -2.912 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.633 9.478 -5.304 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.341 9.283 -3.861 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -2.811 11.277 -4.204 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.979 12.837 -4.411 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.903 11.610 -5.698 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.613 7.822 -3.803 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.700 9.031 -2.501 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.689 9.229 -3.967 1.00 0.00 H new ATOM 1494 N ALA B 108 -5.214 -4.524 13.330 1.00 0.00 N ATOM 1495 CA ALA B 108 -4.014 -5.066 13.928 1.00 0.00 C ATOM 1496 C ALA B 108 -3.197 -5.875 12.906 1.00 0.00 C ATOM 1497 O ALA B 108 -1.973 -5.780 12.857 1.00 0.00 O ATOM 1498 CB ALA B 108 -4.394 -5.920 15.101 1.00 0.00 C ATOM 0 HA ALA B 108 -3.384 -4.243 14.266 1.00 0.00 H new ATOM 0 HB1 ALA B 108 -3.494 -6.332 15.557 1.00 0.00 H new ATOM 0 HB2 ALA B 108 -4.928 -5.315 15.834 1.00 0.00 H new ATOM 0 HB3 ALA B 108 -5.036 -6.734 14.765 1.00 0.00 H new ATOM 1504 N GLU B 109 -3.891 -6.658 12.106 1.00 0.00 N ATOM 1505 CA GLU B 109 -3.301 -7.452 11.045 1.00 0.00 C ATOM 1506 C GLU B 109 -2.712 -6.496 10.018 1.00 0.00 C ATOM 1507 O GLU B 109 -1.618 -6.696 9.542 1.00 0.00 O ATOM 1508 CB GLU B 109 -4.382 -8.362 10.434 1.00 0.00 C ATOM 1509 CG GLU B 109 -3.907 -9.352 9.384 1.00 0.00 C ATOM 1510 CD GLU B 109 -2.833 -10.294 9.887 1.00 0.00 C ATOM 1511 OE1 GLU B 109 -3.079 -11.076 10.831 1.00 0.00 O ATOM 1512 OE2 GLU B 109 -1.730 -10.302 9.306 1.00 0.00 O ATOM 0 H GLU B 109 -4.903 -6.763 12.176 1.00 0.00 H new ATOM 0 HA GLU B 109 -2.506 -8.096 11.420 1.00 0.00 H new ATOM 0 HB2 GLU B 109 -4.857 -8.920 11.241 1.00 0.00 H new ATOM 0 HB3 GLU B 109 -5.150 -7.730 9.987 1.00 0.00 H new ATOM 0 HG2 GLU B 109 -4.758 -9.937 9.035 1.00 0.00 H new ATOM 0 HG3 GLU B 109 -3.524 -8.802 8.524 1.00 0.00 H new ATOM 1519 N LEU B 110 -3.448 -5.423 9.744 1.00 0.00 N ATOM 1520 CA LEU B 110 -2.987 -4.327 8.894 1.00 0.00 C ATOM 1521 C LEU B 110 -1.678 -3.733 9.428 1.00 0.00 C ATOM 1522 O LEU B 110 -0.724 -3.532 8.678 1.00 0.00 O ATOM 1523 CB LEU B 110 -4.085 -3.249 8.785 1.00 0.00 C ATOM 1524 CG LEU B 110 -5.174 -3.486 7.741 1.00 0.00 C ATOM 1525 CD1 LEU B 110 -6.250 -2.419 7.845 1.00 0.00 C ATOM 1526 CD2 LEU B 110 -4.576 -3.479 6.338 1.00 0.00 C ATOM 0 H LEU B 110 -4.391 -5.287 10.109 1.00 0.00 H new ATOM 0 HA LEU B 110 -2.785 -4.717 7.896 1.00 0.00 H new ATOM 0 HB2 LEU B 110 -4.563 -3.150 9.760 1.00 0.00 H new ATOM 0 HB3 LEU B 110 -3.605 -2.295 8.567 1.00 0.00 H new ATOM 0 HG LEU B 110 -5.623 -4.461 7.931 1.00 0.00 H new ATOM 0 HD11 LEU B 110 -7.018 -2.603 7.094 1.00 0.00 H new ATOM 0 HD12 LEU B 110 -6.698 -2.450 8.838 1.00 0.00 H new ATOM 0 HD13 LEU B 110 -5.806 -1.437 7.678 1.00 0.00 H new ATOM 0 HD21 LEU B 110 -5.365 -3.649 5.605 1.00 0.00 H new ATOM 0 HD22 LEU B 110 -4.106 -2.514 6.148 1.00 0.00 H new ATOM 0 HD23 LEU B 110 -3.829 -4.269 6.257 1.00 0.00 H new ATOM 1538 N GLN B 111 -1.645 -3.481 10.724 1.00 0.00 N ATOM 1539 CA GLN B 111 -0.447 -2.988 11.413 1.00 0.00 C ATOM 1540 C GLN B 111 0.709 -3.975 11.230 1.00 0.00 C ATOM 1541 O GLN B 111 1.835 -3.586 10.907 1.00 0.00 O ATOM 1542 CB GLN B 111 -0.749 -2.818 12.904 1.00 0.00 C ATOM 1543 CG GLN B 111 0.437 -2.414 13.766 1.00 0.00 C ATOM 1544 CD GLN B 111 0.111 -2.486 15.245 1.00 0.00 C ATOM 1545 OE1 GLN B 111 -0.710 -3.299 15.676 1.00 0.00 O ATOM 1546 NE2 GLN B 111 0.731 -1.655 16.034 1.00 0.00 N ATOM 0 H GLN B 111 -2.448 -3.610 11.339 1.00 0.00 H new ATOM 0 HA GLN B 111 -0.161 -2.026 10.987 1.00 0.00 H new ATOM 0 HB2 GLN B 111 -1.531 -2.067 13.016 1.00 0.00 H new ATOM 0 HB3 GLN B 111 -1.151 -3.756 13.286 1.00 0.00 H new ATOM 0 HG2 GLN B 111 1.283 -3.066 13.548 1.00 0.00 H new ATOM 0 HG3 GLN B 111 0.743 -1.399 13.511 1.00 0.00 H new ATOM 0 HE21 GLN B 111 1.405 -0.993 15.649 1.00 0.00 H new ATOM 0 HE22 GLN B 111 0.542 -1.666 17.036 1.00 0.00 H new ATOM 1555 N ARG B 112 0.408 -5.237 11.425 1.00 0.00 N ATOM 1556 CA ARG B 112 1.367 -6.315 11.288 1.00 0.00 C ATOM 1557 C ARG B 112 1.874 -6.400 9.875 1.00 0.00 C ATOM 1558 O ARG B 112 3.044 -6.569 9.661 1.00 0.00 O ATOM 1559 CB ARG B 112 0.712 -7.612 11.665 1.00 0.00 C ATOM 1560 CG ARG B 112 1.623 -8.792 11.626 1.00 0.00 C ATOM 1561 CD ARG B 112 2.817 -8.574 12.484 1.00 0.00 C ATOM 1562 NE ARG B 112 3.727 -9.706 12.438 1.00 0.00 N ATOM 1563 CZ ARG B 112 5.035 -9.649 12.683 1.00 0.00 C ATOM 1564 NH1 ARG B 112 5.598 -8.499 13.047 1.00 0.00 N ATOM 1565 NH2 ARG B 112 5.780 -10.748 12.560 1.00 0.00 N ATOM 0 H ARG B 112 -0.526 -5.552 11.688 1.00 0.00 H new ATOM 0 HA ARG B 112 2.212 -6.119 11.948 1.00 0.00 H new ATOM 0 HB2 ARG B 112 0.299 -7.519 12.670 1.00 0.00 H new ATOM 0 HB3 ARG B 112 -0.126 -7.792 10.992 1.00 0.00 H new ATOM 0 HG2 ARG B 112 1.087 -9.680 11.961 1.00 0.00 H new ATOM 0 HG3 ARG B 112 1.938 -8.978 10.599 1.00 0.00 H new ATOM 0 HD2 ARG B 112 3.339 -7.674 12.159 1.00 0.00 H new ATOM 0 HD3 ARG B 112 2.499 -8.404 13.513 1.00 0.00 H new ATOM 0 HE ARG B 112 3.333 -10.616 12.199 1.00 0.00 H new ATOM 0 HH11 ARG B 112 5.027 -7.658 13.139 1.00 0.00 H new ATOM 0 HH12 ARG B 112 6.600 -8.458 13.234 1.00 0.00 H new ATOM 0 HH21 ARG B 112 5.348 -11.628 12.279 1.00 0.00 H new ATOM 0 HH22 ARG B 112 6.782 -10.708 12.747 1.00 0.00 H new ATOM 1579 N LEU B 113 0.982 -6.303 8.944 1.00 0.00 N ATOM 1580 CA LEU B 113 1.322 -6.293 7.522 1.00 0.00 C ATOM 1581 C LEU B 113 2.231 -5.125 7.183 1.00 0.00 C ATOM 1582 O LEU B 113 3.205 -5.272 6.421 1.00 0.00 O ATOM 1583 CB LEU B 113 0.063 -6.245 6.669 1.00 0.00 C ATOM 1584 CG LEU B 113 -0.790 -7.502 6.656 1.00 0.00 C ATOM 1585 CD1 LEU B 113 -2.061 -7.265 5.867 1.00 0.00 C ATOM 1586 CD2 LEU B 113 -0.007 -8.651 6.056 1.00 0.00 C ATOM 0 H LEU B 113 -0.018 -6.227 9.130 1.00 0.00 H new ATOM 0 HA LEU B 113 1.858 -7.216 7.303 1.00 0.00 H new ATOM 0 HB2 LEU B 113 -0.554 -5.416 7.016 1.00 0.00 H new ATOM 0 HB3 LEU B 113 0.353 -6.018 5.643 1.00 0.00 H new ATOM 0 HG LEU B 113 -1.060 -7.756 7.681 1.00 0.00 H new ATOM 0 HD11 LEU B 113 -2.663 -8.174 5.866 1.00 0.00 H new ATOM 0 HD12 LEU B 113 -2.628 -6.455 6.325 1.00 0.00 H new ATOM 0 HD13 LEU B 113 -1.808 -6.996 4.842 1.00 0.00 H new ATOM 0 HD21 LEU B 113 -0.625 -9.549 6.050 1.00 0.00 H new ATOM 0 HD22 LEU B 113 0.280 -8.401 5.035 1.00 0.00 H new ATOM 0 HD23 LEU B 113 0.888 -8.831 6.651 1.00 0.00 H new ATOM 1598 N LYS B 114 1.932 -3.979 7.764 1.00 0.00 N ATOM 1599 CA LYS B 114 2.724 -2.788 7.587 1.00 0.00 C ATOM 1600 C LYS B 114 4.116 -3.066 8.122 1.00 0.00 C ATOM 1601 O LYS B 114 5.118 -2.815 7.463 1.00 0.00 O ATOM 1602 CB LYS B 114 2.063 -1.646 8.359 1.00 0.00 C ATOM 1603 CG LYS B 114 2.514 -0.258 7.966 1.00 0.00 C ATOM 1604 CD LYS B 114 1.577 0.786 8.539 1.00 0.00 C ATOM 1605 CE LYS B 114 1.903 1.170 9.965 1.00 0.00 C ATOM 1606 NZ LYS B 114 0.931 2.148 10.488 1.00 0.00 N ATOM 0 H LYS B 114 1.126 -3.853 8.376 1.00 0.00 H new ATOM 0 HA LYS B 114 2.793 -2.507 6.536 1.00 0.00 H new ATOM 0 HB2 LYS B 114 0.984 -1.713 8.221 1.00 0.00 H new ATOM 0 HB3 LYS B 114 2.258 -1.787 9.422 1.00 0.00 H new ATOM 0 HG2 LYS B 114 3.528 -0.083 8.327 1.00 0.00 H new ATOM 0 HG3 LYS B 114 2.543 -0.172 6.880 1.00 0.00 H new ATOM 0 HD2 LYS B 114 1.613 1.678 7.913 1.00 0.00 H new ATOM 0 HD3 LYS B 114 0.555 0.408 8.497 1.00 0.00 H new ATOM 0 HE2 LYS B 114 1.902 0.280 10.594 1.00 0.00 H new ATOM 0 HE3 LYS B 114 2.907 1.591 10.011 1.00 0.00 H new ATOM 0 HZ1 LYS B 114 1.005 2.191 11.524 1.00 0.00 H new ATOM 0 HZ2 LYS B 114 1.133 3.086 10.087 1.00 0.00 H new ATOM 0 HZ3 LYS B 114 -0.031 1.857 10.222 1.00 0.00 H new ATOM 1620 N ASN B 115 4.145 -3.650 9.297 1.00 0.00 N ATOM 1621 CA ASN B 115 5.371 -4.041 9.981 1.00 0.00 C ATOM 1622 C ASN B 115 6.125 -5.098 9.183 1.00 0.00 C ATOM 1623 O ASN B 115 7.325 -5.005 9.037 1.00 0.00 O ATOM 1624 CB ASN B 115 5.055 -4.524 11.418 1.00 0.00 C ATOM 1625 CG ASN B 115 4.867 -3.392 12.439 1.00 0.00 C ATOM 1626 OD1 ASN B 115 4.237 -2.310 12.047 1.00 0.00 O flip ATOM 1627 ND2 ASN B 115 5.240 -3.527 13.600 1.00 0.00 N flip ATOM 0 H ASN B 115 3.300 -3.875 9.823 1.00 0.00 H new ATOM 0 HA ASN B 115 6.022 -3.170 10.058 1.00 0.00 H new ATOM 0 HB2 ASN B 115 4.149 -5.130 11.394 1.00 0.00 H new ATOM 0 HB3 ASN B 115 5.863 -5.172 11.757 1.00 0.00 H new ATOM 0 HD21 ASN B 115 5.728 -4.377 13.883 1.00 0.00 H new ATOM 0 HD22 ASN B 115 5.062 -2.790 14.282 1.00 0.00 H new ATOM 1634 N GLU B 116 5.389 -6.051 8.619 1.00 0.00 N ATOM 1635 CA GLU B 116 5.931 -7.099 7.757 1.00 0.00 C ATOM 1636 C GLU B 116 6.721 -6.477 6.639 1.00 0.00 C ATOM 1637 O GLU B 116 7.895 -6.761 6.455 1.00 0.00 O ATOM 1638 CB GLU B 116 4.797 -7.920 7.136 1.00 0.00 C ATOM 1639 CG GLU B 116 5.292 -8.888 6.084 1.00 0.00 C ATOM 1640 CD GLU B 116 4.207 -9.640 5.387 1.00 0.00 C ATOM 1641 OE1 GLU B 116 3.667 -10.602 5.965 1.00 0.00 O ATOM 1642 OE2 GLU B 116 3.887 -9.292 4.218 1.00 0.00 O ATOM 0 H GLU B 116 4.380 -6.119 8.750 1.00 0.00 H new ATOM 0 HA GLU B 116 6.567 -7.744 8.363 1.00 0.00 H new ATOM 0 HB2 GLU B 116 4.282 -8.474 7.921 1.00 0.00 H new ATOM 0 HB3 GLU B 116 4.067 -7.245 6.689 1.00 0.00 H new ATOM 0 HG2 GLU B 116 5.871 -8.337 5.343 1.00 0.00 H new ATOM 0 HG3 GLU B 116 5.970 -9.601 6.553 1.00 0.00 H new ATOM 1649 N ARG B 117 6.044 -5.626 5.898 1.00 0.00 N ATOM 1650 CA ARG B 117 6.640 -4.876 4.802 1.00 0.00 C ATOM 1651 C ARG B 117 7.861 -4.103 5.247 1.00 0.00 C ATOM 1652 O ARG B 117 8.788 -3.919 4.481 1.00 0.00 O ATOM 1653 CB ARG B 117 5.676 -3.878 4.217 1.00 0.00 C ATOM 1654 CG ARG B 117 4.504 -4.439 3.467 1.00 0.00 C ATOM 1655 CD ARG B 117 3.753 -3.303 2.807 1.00 0.00 C ATOM 1656 NE ARG B 117 3.130 -2.415 3.779 1.00 0.00 N ATOM 1657 CZ ARG B 117 3.389 -1.108 3.972 1.00 0.00 C ATOM 1658 NH1 ARG B 117 4.440 -0.521 3.422 1.00 0.00 N ATOM 1659 NH2 ARG B 117 2.590 -0.387 4.712 1.00 0.00 N ATOM 0 H ARG B 117 5.053 -5.430 6.038 1.00 0.00 H new ATOM 0 HA ARG B 117 6.914 -5.622 4.056 1.00 0.00 H new ATOM 0 HB2 ARG B 117 5.296 -3.255 5.027 1.00 0.00 H new ATOM 0 HB3 ARG B 117 6.230 -3.223 3.544 1.00 0.00 H new ATOM 0 HG2 ARG B 117 4.844 -5.152 2.716 1.00 0.00 H new ATOM 0 HG3 ARG B 117 3.846 -4.981 4.147 1.00 0.00 H new ATOM 0 HD2 ARG B 117 4.439 -2.731 2.183 1.00 0.00 H new ATOM 0 HD3 ARG B 117 2.987 -3.711 2.148 1.00 0.00 H new ATOM 0 HE ARG B 117 2.418 -2.830 4.381 1.00 0.00 H new ATOM 0 HH11 ARG B 117 5.077 -1.061 2.836 1.00 0.00 H new ATOM 0 HH12 ARG B 117 4.613 0.471 3.584 1.00 0.00 H new ATOM 0 HH21 ARG B 117 1.770 -0.814 5.143 1.00 0.00 H new ATOM 0 HH22 ARG B 117 2.786 0.603 4.859 1.00 0.00 H new ATOM 1673 N HIS B 118 7.817 -3.629 6.461 1.00 0.00 N ATOM 1674 CA HIS B 118 8.885 -2.869 7.048 1.00 0.00 C ATOM 1675 C HIS B 118 10.077 -3.753 7.401 1.00 0.00 C ATOM 1676 O HIS B 118 11.220 -3.358 7.185 1.00 0.00 O ATOM 1677 CB HIS B 118 8.351 -2.019 8.211 1.00 0.00 C ATOM 1678 CG HIS B 118 7.503 -0.867 7.725 1.00 0.00 C ATOM 1679 ND1 HIS B 118 7.649 -0.322 6.470 1.00 0.00 N ATOM 1680 CD2 HIS B 118 6.415 -0.257 8.253 1.00 0.00 C ATOM 1681 CE1 HIS B 118 6.691 0.540 6.246 1.00 0.00 C ATOM 1682 NE2 HIS B 118 5.936 0.604 7.307 1.00 0.00 N ATOM 0 H HIS B 118 7.020 -3.763 7.083 1.00 0.00 H new ATOM 0 HA HIS B 118 9.277 -2.165 6.314 1.00 0.00 H new ATOM 0 HB2 HIS B 118 7.761 -2.647 8.879 1.00 0.00 H new ATOM 0 HB3 HIS B 118 9.188 -1.633 8.793 1.00 0.00 H new ATOM 0 HD2 HIS B 118 6.003 -0.421 9.238 1.00 0.00 H new ATOM 0 HE1 HIS B 118 6.549 1.104 5.336 1.00 0.00 H new ATOM 0 HE2 HIS B 118 5.117 1.203 7.414 1.00 0.00 H new ATOM 1691 N GLU B 119 9.807 -4.951 7.906 1.00 0.00 N ATOM 1692 CA GLU B 119 10.852 -5.956 8.079 1.00 0.00 C ATOM 1693 C GLU B 119 11.451 -6.315 6.739 1.00 0.00 C ATOM 1694 O GLU B 119 12.661 -6.344 6.589 1.00 0.00 O ATOM 1695 CB GLU B 119 10.359 -7.230 8.762 1.00 0.00 C ATOM 1696 CG GLU B 119 10.447 -7.216 10.275 1.00 0.00 C ATOM 1697 CD GLU B 119 9.466 -6.314 10.955 1.00 0.00 C ATOM 1698 OE1 GLU B 119 9.792 -5.141 11.184 1.00 0.00 O ATOM 1699 OE2 GLU B 119 8.375 -6.787 11.342 1.00 0.00 O ATOM 0 H GLU B 119 8.878 -5.250 8.202 1.00 0.00 H new ATOM 0 HA GLU B 119 11.602 -5.508 8.731 1.00 0.00 H new ATOM 0 HB2 GLU B 119 9.322 -7.401 8.474 1.00 0.00 H new ATOM 0 HB3 GLU B 119 10.938 -8.074 8.386 1.00 0.00 H new ATOM 0 HG2 GLU B 119 10.300 -8.232 10.642 1.00 0.00 H new ATOM 0 HG3 GLU B 119 11.455 -6.916 10.563 1.00 0.00 H new ATOM 1706 N GLU B 120 10.578 -6.567 5.758 1.00 0.00 N ATOM 1707 CA GLU B 120 10.986 -6.870 4.379 1.00 0.00 C ATOM 1708 C GLU B 120 11.884 -5.760 3.842 1.00 0.00 C ATOM 1709 O GLU B 120 12.876 -6.022 3.196 1.00 0.00 O ATOM 1710 CB GLU B 120 9.765 -6.996 3.455 1.00 0.00 C ATOM 1711 CG GLU B 120 8.805 -8.143 3.762 1.00 0.00 C ATOM 1712 CD GLU B 120 9.429 -9.512 3.627 1.00 0.00 C ATOM 1713 OE1 GLU B 120 9.755 -9.921 2.498 1.00 0.00 O ATOM 1714 OE2 GLU B 120 9.592 -10.206 4.653 1.00 0.00 O ATOM 0 H GLU B 120 9.567 -6.567 5.896 1.00 0.00 H new ATOM 0 HA GLU B 120 11.524 -7.818 4.396 1.00 0.00 H new ATOM 0 HB2 GLU B 120 9.206 -6.061 3.496 1.00 0.00 H new ATOM 0 HB3 GLU B 120 10.120 -7.111 2.431 1.00 0.00 H new ATOM 0 HG2 GLU B 120 8.426 -8.025 4.777 1.00 0.00 H new ATOM 0 HG3 GLU B 120 7.948 -8.077 3.092 1.00 0.00 H new ATOM 1721 N ALA B 121 11.519 -4.527 4.138 1.00 0.00 N ATOM 1722 CA ALA B 121 12.281 -3.362 3.715 1.00 0.00 C ATOM 1723 C ALA B 121 13.673 -3.354 4.333 1.00 0.00 C ATOM 1724 O ALA B 121 14.656 -3.082 3.658 1.00 0.00 O ATOM 1725 CB ALA B 121 11.537 -2.086 4.041 1.00 0.00 C ATOM 0 H ALA B 121 10.684 -4.302 4.680 1.00 0.00 H new ATOM 0 HA ALA B 121 12.402 -3.419 2.633 1.00 0.00 H new ATOM 0 HB1 ALA B 121 12.126 -1.228 3.716 1.00 0.00 H new ATOM 0 HB2 ALA B 121 10.576 -2.083 3.526 1.00 0.00 H new ATOM 0 HB3 ALA B 121 11.372 -2.026 5.117 1.00 0.00 H new