USER MOD reduce.3.24.130724 H: found=0, std=0, add=884, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 885 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 96 THR OG1 : rot 180:sc= 0.036 USER MOD Set 1.2: A 97 ASN : amide:sc= 0 X(o=0.036,f=0.036) USER MOD Set 2.1: A 79 SER OG : rot 153:sc= -1.92! USER MOD Set 2.2: A 82 THR OG1 : rot 150:sc= 0 USER MOD Set 3.1: A 29 GLN : amide:sc= 0.794 K(o=1.7,f=-0.99) USER MOD Set 3.2: A 31 LYS NZ :NH3+ 145:sc= 0.92 (180deg=0) USER MOD Set 4.1: A 27 SER OG : rot -160:sc= -0.534 USER MOD Set 4.2: A 112 HIS : no HE2:sc= -3.94! C(o=-4.5!,f=-11!) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 68:sc= -1.44! USER MOD Single : A 23 TYR OH : rot 180:sc= -1.71! USER MOD Single : A 24 SER OG : rot -92:sc= 0.354 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.0111 K(o=-0.011,f=-0.66) USER MOD Single : A 34 GLN : amide:sc= -2.07 X(o=-2.1,f=-2.2!) USER MOD Single : A 37 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0875) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 47 LYS NZ :NH3+ -109:sc= 0 (180deg=-0.171) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 170:sc= -2.4 (180deg=-2.92) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -2.03 K(o=-2,f=-4.9!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0.0453 USER MOD Single : A 65 LYS NZ :NH3+ -133:sc= 1.2 (180deg=-1.42) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -123:sc= -0.108 (180deg=-0.626) USER MOD Single : A 73 THR OG1 : rot 80:sc= 1.1 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 62:sc= 0.46 USER MOD Single : A 84 ASN : amide:sc= -0.0993 X(o=-0.099,f=-0.099) USER MOD Single : A 87 ASN : amide:sc= -4.54! C(o=-4.5!,f=-9.2!) USER MOD Single : A 92 ASN : amide:sc=-0.00373 K(o=-0.0037,f=-0.62) USER MOD Single : A 98 THR OG1 : rot 170:sc= 0.0506 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.0666 USER MOD Single : A 108 MET CE :methyl 165:sc= 0 (180deg=-0.0781) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 84:sc= 0.0996 USER MOD Single : B 9 SER OG : rot -129:sc= -1.08 USER MOD Single : B 10 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 222 N ILE A 14 -0.178 -12.474 -4.993 1.00 0.00 N ATOM 223 CA ILE A 14 1.141 -11.746 -4.826 1.00 0.00 C ATOM 224 C ILE A 14 0.902 -10.282 -4.373 1.00 0.00 C ATOM 225 O ILE A 14 1.699 -9.721 -3.645 1.00 0.00 O ATOM 226 CB ILE A 14 1.852 -11.823 -6.206 1.00 0.00 C ATOM 227 CG1 ILE A 14 3.362 -11.564 -6.041 1.00 0.00 C ATOM 228 CG2 ILE A 14 1.249 -10.820 -7.204 1.00 0.00 C ATOM 229 CD1 ILE A 14 3.626 -10.138 -5.541 1.00 0.00 C ATOM 0 HA ILE A 14 1.762 -12.199 -4.053 1.00 0.00 H new ATOM 0 HB ILE A 14 1.702 -12.826 -6.605 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.783 -12.283 -5.338 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.867 -11.718 -6.995 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.769 -10.900 -8.159 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.191 -11.040 -7.347 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.359 -9.808 -6.814 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.700 -9.983 -5.434 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.226 -9.421 -6.258 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.140 -9.995 -4.576 1.00 0.00 H new ATOM 241 N GLU A 15 -0.194 -9.664 -4.786 1.00 0.00 N ATOM 242 CA GLU A 15 -0.465 -8.239 -4.353 1.00 0.00 C ATOM 243 C GLU A 15 -0.400 -8.131 -2.821 1.00 0.00 C ATOM 244 O GLU A 15 0.086 -7.153 -2.291 1.00 0.00 O ATOM 245 CB GLU A 15 -1.878 -7.880 -4.847 1.00 0.00 C ATOM 246 CG GLU A 15 -1.778 -7.055 -6.131 1.00 0.00 C ATOM 247 CD GLU A 15 -1.559 -7.988 -7.323 1.00 0.00 C ATOM 248 OE1 GLU A 15 -0.616 -8.761 -7.279 1.00 0.00 O ATOM 249 OE2 GLU A 15 -2.338 -7.913 -8.259 1.00 0.00 O ATOM 0 H GLU A 15 -0.902 -10.076 -5.394 1.00 0.00 H new ATOM 0 HA GLU A 15 0.278 -7.559 -4.769 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.452 -8.788 -5.030 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.410 -7.316 -4.081 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.689 -6.473 -6.274 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.955 -6.345 -6.056 1.00 0.00 H new ATOM 256 N GLY A 16 -0.870 -9.130 -2.101 1.00 0.00 N ATOM 257 CA GLY A 16 -0.806 -9.069 -0.609 1.00 0.00 C ATOM 258 C GLY A 16 0.665 -8.983 -0.167 1.00 0.00 C ATOM 259 O GLY A 16 0.987 -8.293 0.781 1.00 0.00 O ATOM 0 H GLY A 16 -1.291 -9.976 -2.484 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.358 -8.203 -0.245 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -1.277 -9.952 -0.177 1.00 0.00 H new ATOM 263 N ARG A 17 1.567 -9.665 -0.852 1.00 0.00 N ATOM 264 CA ARG A 17 3.020 -9.591 -0.455 1.00 0.00 C ATOM 265 C ARG A 17 3.512 -8.133 -0.457 1.00 0.00 C ATOM 266 O ARG A 17 4.439 -7.804 0.255 1.00 0.00 O ATOM 267 CB ARG A 17 3.809 -10.413 -1.487 1.00 0.00 C ATOM 268 CG ARG A 17 3.413 -11.887 -1.377 1.00 0.00 C ATOM 269 CD ARG A 17 4.388 -12.611 -0.445 1.00 0.00 C ATOM 270 NE ARG A 17 4.609 -13.941 -1.078 1.00 0.00 N ATOM 271 CZ ARG A 17 3.714 -14.881 -0.951 1.00 0.00 C ATOM 272 NH1 ARG A 17 3.599 -15.525 0.178 1.00 0.00 N ATOM 273 NH2 ARG A 17 2.932 -15.177 -1.953 1.00 0.00 N ATOM 0 H ARG A 17 1.364 -10.260 -1.655 1.00 0.00 H new ATOM 0 HA ARG A 17 3.160 -9.983 0.552 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.606 -10.045 -2.493 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.880 -10.299 -1.316 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.396 -11.973 -0.994 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.423 -12.352 -2.363 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.323 -12.060 -0.347 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.973 -12.715 0.557 1.00 0.00 H new ATOM 0 HE ARG A 17 5.461 -14.117 -1.611 1.00 0.00 H new ATOM 0 HH11 ARG A 17 4.209 -15.293 0.962 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.899 -16.260 0.277 1.00 0.00 H new ATOM 0 HH21 ARG A 17 3.021 -14.673 -2.835 1.00 0.00 H new ATOM 0 HH22 ARG A 17 2.232 -15.912 -1.854 1.00 0.00 H new ATOM 287 N TYR A 18 2.912 -7.244 -1.237 1.00 0.00 N ATOM 288 CA TYR A 18 3.390 -5.812 -1.225 1.00 0.00 C ATOM 289 C TYR A 18 3.259 -5.252 0.194 1.00 0.00 C ATOM 290 O TYR A 18 4.211 -4.743 0.755 1.00 0.00 O ATOM 291 CB TYR A 18 2.472 -5.017 -2.171 1.00 0.00 C ATOM 292 CG TYR A 18 3.015 -5.014 -3.581 1.00 0.00 C ATOM 293 CD1 TYR A 18 3.502 -6.192 -4.164 1.00 0.00 C ATOM 294 CD2 TYR A 18 3.016 -3.821 -4.312 1.00 0.00 C ATOM 295 CE1 TYR A 18 3.989 -6.174 -5.476 1.00 0.00 C ATOM 296 CE2 TYR A 18 3.500 -3.801 -5.622 1.00 0.00 C ATOM 297 CZ TYR A 18 3.989 -4.977 -6.206 1.00 0.00 C ATOM 298 OH TYR A 18 4.468 -4.958 -7.500 1.00 0.00 O ATOM 0 H TYR A 18 2.133 -7.443 -1.865 1.00 0.00 H new ATOM 0 HA TYR A 18 4.431 -5.743 -1.542 1.00 0.00 H new ATOM 0 HB2 TYR A 18 1.473 -5.452 -2.164 1.00 0.00 H new ATOM 0 HB3 TYR A 18 2.376 -3.992 -1.813 1.00 0.00 H new ATOM 0 HD1 TYR A 18 3.501 -7.114 -3.601 1.00 0.00 H new ATOM 0 HD2 TYR A 18 2.642 -2.913 -3.862 1.00 0.00 H new ATOM 0 HE1 TYR A 18 4.364 -7.081 -5.926 1.00 0.00 H new ATOM 0 HE2 TYR A 18 3.497 -2.879 -6.185 1.00 0.00 H new ATOM 0 HH TYR A 18 4.395 -4.050 -7.862 1.00 0.00 H new ATOM 308 N ALA A 19 2.090 -5.366 0.788 1.00 0.00 N ATOM 309 CA ALA A 19 1.925 -4.853 2.190 1.00 0.00 C ATOM 310 C ALA A 19 2.700 -5.759 3.156 1.00 0.00 C ATOM 311 O ALA A 19 3.255 -5.291 4.132 1.00 0.00 O ATOM 312 CB ALA A 19 0.424 -4.894 2.509 1.00 0.00 C ATOM 0 H ALA A 19 1.258 -5.784 0.372 1.00 0.00 H new ATOM 0 HA ALA A 19 2.309 -3.838 2.292 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.257 -4.528 3.522 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.116 -4.263 1.802 1.00 0.00 H new ATOM 0 HB3 ALA A 19 0.063 -5.919 2.429 1.00 0.00 H new ATOM 318 N THR A 20 2.753 -7.056 2.895 1.00 0.00 N ATOM 319 CA THR A 20 3.511 -7.962 3.821 1.00 0.00 C ATOM 320 C THR A 20 5.020 -7.700 3.706 1.00 0.00 C ATOM 321 O THR A 20 5.727 -7.752 4.696 1.00 0.00 O ATOM 322 CB THR A 20 3.175 -9.404 3.416 1.00 0.00 C ATOM 323 OG1 THR A 20 1.982 -9.411 2.642 1.00 0.00 O ATOM 324 CG2 THR A 20 2.975 -10.246 4.676 1.00 0.00 C ATOM 0 H THR A 20 2.312 -7.513 2.097 1.00 0.00 H new ATOM 0 HA THR A 20 3.230 -7.783 4.859 1.00 0.00 H new ATOM 0 HB THR A 20 3.991 -9.821 2.825 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.150 -8.979 1.778 1.00 0.00 H new ATOM 0 HG21 THR A 20 2.736 -11.271 4.394 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.890 -10.236 5.269 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.157 -9.831 5.265 1.00 0.00 H new ATOM 332 N ALA A 21 5.524 -7.390 2.526 1.00 0.00 N ATOM 333 CA ALA A 21 6.995 -7.097 2.413 1.00 0.00 C ATOM 334 C ALA A 21 7.296 -5.654 2.873 1.00 0.00 C ATOM 335 O ALA A 21 8.445 -5.287 3.021 1.00 0.00 O ATOM 336 CB ALA A 21 7.371 -7.282 0.936 1.00 0.00 C ATOM 0 H ALA A 21 4.994 -7.328 1.657 1.00 0.00 H new ATOM 0 HA ALA A 21 7.576 -7.765 3.049 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.434 -7.080 0.803 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.156 -8.306 0.631 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.791 -6.592 0.324 1.00 0.00 H new ATOM 342 N LEU A 22 6.284 -4.839 3.128 1.00 0.00 N ATOM 343 CA LEU A 22 6.553 -3.442 3.606 1.00 0.00 C ATOM 344 C LEU A 22 6.412 -3.400 5.124 1.00 0.00 C ATOM 345 O LEU A 22 7.203 -2.764 5.798 1.00 0.00 O ATOM 346 CB LEU A 22 5.505 -2.544 2.934 1.00 0.00 C ATOM 347 CG LEU A 22 5.742 -1.082 3.342 1.00 0.00 C ATOM 348 CD1 LEU A 22 6.446 -0.338 2.204 1.00 0.00 C ATOM 349 CD2 LEU A 22 4.399 -0.405 3.632 1.00 0.00 C ATOM 0 H LEU A 22 5.299 -5.082 3.026 1.00 0.00 H new ATOM 0 HA LEU A 22 7.559 -3.107 3.354 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.566 -2.644 1.850 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.502 -2.856 3.227 1.00 0.00 H new ATOM 0 HG LEU A 22 6.365 -1.056 4.236 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.613 0.699 2.496 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.404 -0.815 1.995 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.823 -0.368 1.310 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.569 0.632 3.921 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.776 -0.435 2.738 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.895 -0.930 4.443 1.00 0.00 H new ATOM 361 N TYR A 23 5.440 -4.095 5.681 1.00 0.00 N ATOM 362 CA TYR A 23 5.318 -4.094 7.161 1.00 0.00 C ATOM 363 C TYR A 23 6.421 -4.991 7.773 1.00 0.00 C ATOM 364 O TYR A 23 6.674 -4.895 8.953 1.00 0.00 O ATOM 365 CB TYR A 23 3.869 -4.553 7.487 1.00 0.00 C ATOM 366 CG TYR A 23 3.834 -5.882 8.197 1.00 0.00 C ATOM 367 CD1 TYR A 23 4.225 -5.970 9.532 1.00 0.00 C ATOM 368 CD2 TYR A 23 3.414 -7.014 7.510 1.00 0.00 C ATOM 369 CE1 TYR A 23 4.198 -7.199 10.185 1.00 0.00 C ATOM 370 CE2 TYR A 23 3.384 -8.245 8.151 1.00 0.00 C ATOM 371 CZ TYR A 23 3.778 -8.346 9.495 1.00 0.00 C ATOM 372 OH TYR A 23 3.748 -9.568 10.134 1.00 0.00 O ATOM 0 H TYR A 23 4.745 -4.648 5.179 1.00 0.00 H new ATOM 0 HA TYR A 23 5.473 -3.109 7.601 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.383 -3.800 8.107 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.296 -4.623 6.562 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.549 -5.085 10.060 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.111 -6.936 6.476 1.00 0.00 H new ATOM 0 HE1 TYR A 23 4.499 -7.269 11.220 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.058 -9.125 7.616 1.00 0.00 H new ATOM 0 HH TYR A 23 3.431 -10.255 9.511 1.00 0.00 H new ATOM 382 N SER A 24 7.102 -5.843 6.998 1.00 0.00 N ATOM 383 CA SER A 24 8.205 -6.685 7.610 1.00 0.00 C ATOM 384 C SER A 24 9.149 -5.761 8.405 1.00 0.00 C ATOM 385 O SER A 24 9.582 -6.096 9.492 1.00 0.00 O ATOM 386 CB SER A 24 8.957 -7.352 6.450 1.00 0.00 C ATOM 387 OG SER A 24 10.235 -7.784 6.902 1.00 0.00 O ATOM 0 H SER A 24 6.944 -5.984 6.000 1.00 0.00 H new ATOM 0 HA SER A 24 7.810 -7.443 8.287 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.387 -8.201 6.072 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.069 -6.650 5.624 1.00 0.00 H new ATOM 0 HG SER A 24 10.895 -7.078 6.740 1.00 0.00 H new ATOM 393 N ALA A 25 9.403 -4.567 7.899 1.00 0.00 N ATOM 394 CA ALA A 25 10.242 -3.599 8.673 1.00 0.00 C ATOM 395 C ALA A 25 9.347 -2.978 9.759 1.00 0.00 C ATOM 396 O ALA A 25 9.774 -2.787 10.881 1.00 0.00 O ATOM 397 CB ALA A 25 10.722 -2.527 7.682 1.00 0.00 C ATOM 0 H ALA A 25 9.068 -4.231 6.996 1.00 0.00 H new ATOM 0 HA ALA A 25 11.103 -4.071 9.146 1.00 0.00 H new ATOM 0 HB1 ALA A 25 11.340 -1.798 8.206 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.307 -2.998 6.892 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.860 -2.024 7.244 1.00 0.00 H new ATOM 403 N ALA A 26 8.089 -2.687 9.441 1.00 0.00 N ATOM 404 CA ALA A 26 7.174 -2.110 10.489 1.00 0.00 C ATOM 405 C ALA A 26 7.043 -3.096 11.664 1.00 0.00 C ATOM 406 O ALA A 26 6.934 -2.686 12.803 1.00 0.00 O ATOM 407 CB ALA A 26 5.802 -1.903 9.824 1.00 0.00 C ATOM 0 H ALA A 26 7.671 -2.823 8.521 1.00 0.00 H new ATOM 0 HA ALA A 26 7.565 -1.169 10.875 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.105 -1.485 10.550 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.905 -1.217 8.983 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.423 -2.860 9.467 1.00 0.00 H new ATOM 413 N SER A 27 7.053 -4.396 11.405 1.00 0.00 N ATOM 414 CA SER A 27 6.929 -5.387 12.535 1.00 0.00 C ATOM 415 C SER A 27 8.049 -5.144 13.558 1.00 0.00 C ATOM 416 O SER A 27 7.817 -5.177 14.753 1.00 0.00 O ATOM 417 CB SER A 27 7.074 -6.787 11.918 1.00 0.00 C ATOM 418 OG SER A 27 6.541 -7.752 12.815 1.00 0.00 O ATOM 0 H SER A 27 7.140 -4.805 10.475 1.00 0.00 H new ATOM 0 HA SER A 27 5.972 -5.286 13.047 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.550 -6.832 10.963 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.123 -7.001 11.716 1.00 0.00 H new ATOM 0 HG SER A 27 6.901 -8.637 12.596 1.00 0.00 H new ATOM 424 N LYS A 28 9.259 -4.876 13.102 1.00 0.00 N ATOM 425 CA LYS A 28 10.375 -4.606 14.076 1.00 0.00 C ATOM 426 C LYS A 28 10.047 -3.335 14.877 1.00 0.00 C ATOM 427 O LYS A 28 10.267 -3.279 16.072 1.00 0.00 O ATOM 428 CB LYS A 28 11.653 -4.399 13.248 1.00 0.00 C ATOM 429 CG LYS A 28 12.873 -4.450 14.170 1.00 0.00 C ATOM 430 CD LYS A 28 14.121 -4.775 13.348 1.00 0.00 C ATOM 431 CE LYS A 28 14.809 -3.475 12.926 1.00 0.00 C ATOM 432 NZ LYS A 28 16.250 -3.827 12.798 1.00 0.00 N ATOM 0 H LYS A 28 9.518 -4.833 12.116 1.00 0.00 H new ATOM 0 HA LYS A 28 10.505 -5.431 14.777 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.731 -5.170 12.481 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.613 -3.439 12.732 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.998 -3.494 14.678 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.727 -5.205 14.943 1.00 0.00 H new ATOM 0 HD2 LYS A 28 14.806 -5.387 13.934 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.848 -5.356 12.467 1.00 0.00 H new ATOM 0 HE2 LYS A 28 14.408 -3.104 11.983 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.659 -2.690 13.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 16.789 -2.985 12.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 16.606 -4.171 13.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 16.363 -4.572 12.081 1.00 0.00 H new ATOM 446 N GLN A 29 9.502 -2.318 14.232 1.00 0.00 N ATOM 447 CA GLN A 29 9.143 -1.064 14.981 1.00 0.00 C ATOM 448 C GLN A 29 7.751 -1.184 15.645 1.00 0.00 C ATOM 449 O GLN A 29 7.374 -0.331 16.424 1.00 0.00 O ATOM 450 CB GLN A 29 9.139 0.071 13.946 1.00 0.00 C ATOM 451 CG GLN A 29 10.576 0.371 13.512 1.00 0.00 C ATOM 452 CD GLN A 29 10.558 1.260 12.261 1.00 0.00 C ATOM 453 OE1 GLN A 29 10.779 2.452 12.352 1.00 0.00 O ATOM 454 NE2 GLN A 29 10.303 0.734 11.088 1.00 0.00 N ATOM 0 H GLN A 29 9.294 -2.304 13.234 1.00 0.00 H new ATOM 0 HA GLN A 29 9.859 -0.878 15.782 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.538 -0.213 13.082 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.682 0.964 14.372 1.00 0.00 H new ATOM 0 HG2 GLN A 29 11.114 0.870 14.318 1.00 0.00 H new ATOM 0 HG3 GLN A 29 11.106 -0.558 13.303 1.00 0.00 H new ATOM 0 HE21 GLN A 29 10.117 -0.266 11.007 1.00 0.00 H new ATOM 0 HE22 GLN A 29 10.291 1.324 10.256 1.00 0.00 H new ATOM 463 N ASN A 30 6.970 -2.217 15.337 1.00 0.00 N ATOM 464 CA ASN A 30 5.602 -2.376 15.939 1.00 0.00 C ATOM 465 C ASN A 30 4.665 -1.326 15.346 1.00 0.00 C ATOM 466 O ASN A 30 3.857 -0.741 16.043 1.00 0.00 O ATOM 467 CB ASN A 30 5.739 -2.202 17.462 1.00 0.00 C ATOM 468 CG ASN A 30 4.766 -3.151 18.174 1.00 0.00 C ATOM 469 OD1 ASN A 30 3.682 -3.400 17.684 1.00 0.00 O ATOM 470 ND2 ASN A 30 5.104 -3.697 19.317 1.00 0.00 N ATOM 0 H ASN A 30 7.234 -2.958 14.687 1.00 0.00 H new ATOM 0 HA ASN A 30 5.184 -3.359 15.721 1.00 0.00 H new ATOM 0 HB2 ASN A 30 6.762 -2.413 17.772 1.00 0.00 H new ATOM 0 HB3 ASN A 30 5.527 -1.170 17.742 1.00 0.00 H new ATOM 0 HD21 ASN A 30 4.458 -4.328 19.791 1.00 0.00 H new ATOM 0 HD22 ASN A 30 6.013 -3.491 19.732 1.00 0.00 H new ATOM 477 N LYS A 31 4.758 -1.089 14.051 1.00 0.00 N ATOM 478 CA LYS A 31 3.860 -0.084 13.415 1.00 0.00 C ATOM 479 C LYS A 31 2.789 -0.759 12.533 1.00 0.00 C ATOM 480 O LYS A 31 2.153 -0.090 11.742 1.00 0.00 O ATOM 481 CB LYS A 31 4.775 0.797 12.562 1.00 0.00 C ATOM 482 CG LYS A 31 5.503 1.798 13.459 1.00 0.00 C ATOM 483 CD LYS A 31 6.460 2.642 12.614 1.00 0.00 C ATOM 484 CE LYS A 31 7.389 3.438 13.533 1.00 0.00 C ATOM 485 NZ LYS A 31 8.377 4.076 12.620 1.00 0.00 N ATOM 0 H LYS A 31 5.414 -1.548 13.419 1.00 0.00 H new ATOM 0 HA LYS A 31 3.318 0.490 14.167 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.497 0.179 12.028 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.190 1.326 11.810 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.782 2.442 13.963 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.056 1.270 14.236 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.045 1.999 11.957 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.895 3.321 11.975 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.836 4.186 14.102 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.882 2.788 14.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.635 5.014 12.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.228 3.482 12.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.959 4.178 11.673 1.00 0.00 H new ATOM 499 N LEU A 32 2.560 -2.068 12.656 1.00 0.00 N ATOM 500 CA LEU A 32 1.496 -2.728 11.807 1.00 0.00 C ATOM 501 C LEU A 32 0.182 -1.932 11.877 1.00 0.00 C ATOM 502 O LEU A 32 -0.542 -1.858 10.908 1.00 0.00 O ATOM 503 CB LEU A 32 1.297 -4.138 12.376 1.00 0.00 C ATOM 504 CG LEU A 32 2.285 -5.091 11.688 1.00 0.00 C ATOM 505 CD1 LEU A 32 3.074 -5.882 12.732 1.00 0.00 C ATOM 506 CD2 LEU A 32 1.525 -6.054 10.759 1.00 0.00 C ATOM 0 H LEU A 32 3.056 -2.690 13.295 1.00 0.00 H new ATOM 0 HA LEU A 32 1.797 -2.765 10.760 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.461 -4.137 13.454 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.273 -4.471 12.210 1.00 0.00 H new ATOM 0 HG LEU A 32 2.985 -4.503 11.094 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.770 -6.553 12.230 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.629 -5.192 13.368 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.385 -6.465 13.344 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.233 -6.727 10.275 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.812 -6.636 11.343 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.991 -5.482 10.000 1.00 0.00 H new ATOM 518 N GLU A 33 -0.116 -1.306 13.000 1.00 0.00 N ATOM 519 CA GLU A 33 -1.377 -0.486 13.068 1.00 0.00 C ATOM 520 C GLU A 33 -1.200 0.742 12.162 1.00 0.00 C ATOM 521 O GLU A 33 -2.085 1.089 11.401 1.00 0.00 O ATOM 522 CB GLU A 33 -1.557 -0.057 14.533 1.00 0.00 C ATOM 523 CG GLU A 33 -3.049 -0.001 14.869 1.00 0.00 C ATOM 524 CD GLU A 33 -3.232 0.525 16.293 1.00 0.00 C ATOM 525 OE1 GLU A 33 -2.570 1.490 16.637 1.00 0.00 O ATOM 526 OE2 GLU A 33 -4.032 -0.046 17.017 1.00 0.00 O ATOM 0 H GLU A 33 0.444 -1.326 13.852 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.252 -1.045 12.735 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.051 -0.761 15.194 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.100 0.919 14.696 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.568 0.646 14.162 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.491 -0.993 14.777 1.00 0.00 H new ATOM 533 N GLN A 34 -0.047 1.385 12.214 1.00 0.00 N ATOM 534 CA GLN A 34 0.189 2.576 11.318 1.00 0.00 C ATOM 535 C GLN A 34 0.115 2.164 9.836 1.00 0.00 C ATOM 536 O GLN A 34 -0.126 2.995 8.981 1.00 0.00 O ATOM 537 CB GLN A 34 1.594 3.106 11.648 1.00 0.00 C ATOM 538 CG GLN A 34 1.563 3.834 12.995 1.00 0.00 C ATOM 539 CD GLN A 34 0.660 5.070 12.893 1.00 0.00 C ATOM 540 OE1 GLN A 34 -0.541 4.969 13.059 1.00 0.00 O ATOM 541 NE2 GLN A 34 1.180 6.243 12.624 1.00 0.00 N ATOM 0 H GLN A 34 0.730 1.141 12.828 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.571 3.339 11.483 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.306 2.281 11.685 1.00 0.00 H new ATOM 0 HB3 GLN A 34 1.932 3.784 10.864 1.00 0.00 H new ATOM 0 HG2 GLN A 34 1.194 3.165 13.773 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.572 4.131 13.282 1.00 0.00 H new ATOM 0 HE21 GLN A 34 2.186 6.335 12.484 1.00 0.00 H new ATOM 0 HE22 GLN A 34 0.578 7.064 12.555 1.00 0.00 H new ATOM 550 N VAL A 35 0.331 0.900 9.512 1.00 0.00 N ATOM 551 CA VAL A 35 0.279 0.483 8.073 1.00 0.00 C ATOM 552 C VAL A 35 -1.031 -0.275 7.772 1.00 0.00 C ATOM 553 O VAL A 35 -1.657 -0.045 6.755 1.00 0.00 O ATOM 554 CB VAL A 35 1.499 -0.445 7.819 1.00 0.00 C ATOM 555 CG1 VAL A 35 1.930 -0.310 6.359 1.00 0.00 C ATOM 556 CG2 VAL A 35 2.705 -0.086 8.717 1.00 0.00 C ATOM 0 H VAL A 35 0.538 0.154 10.176 1.00 0.00 H new ATOM 0 HA VAL A 35 0.310 1.358 7.424 1.00 0.00 H new ATOM 0 HB VAL A 35 1.191 -1.464 8.053 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.786 -0.958 6.171 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.105 -0.600 5.708 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.206 0.725 6.155 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.532 -0.762 8.502 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.014 0.940 8.518 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.420 -0.182 9.765 1.00 0.00 H new ATOM 566 N GLU A 36 -1.451 -1.181 8.635 1.00 0.00 N ATOM 567 CA GLU A 36 -2.724 -1.946 8.365 1.00 0.00 C ATOM 568 C GLU A 36 -3.941 -1.005 8.344 1.00 0.00 C ATOM 569 O GLU A 36 -4.881 -1.233 7.605 1.00 0.00 O ATOM 570 CB GLU A 36 -2.887 -2.962 9.509 1.00 0.00 C ATOM 571 CG GLU A 36 -3.651 -4.185 9.001 1.00 0.00 C ATOM 572 CD GLU A 36 -5.155 -3.928 9.102 1.00 0.00 C ATOM 573 OE1 GLU A 36 -5.654 -3.877 10.215 1.00 0.00 O ATOM 574 OE2 GLU A 36 -5.784 -3.784 8.066 1.00 0.00 O ATOM 0 H GLU A 36 -0.975 -1.422 9.504 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.667 -2.436 7.393 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.909 -3.262 9.885 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.423 -2.505 10.341 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.376 -4.395 7.967 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.382 -5.064 9.587 1.00 0.00 H new ATOM 581 N LYS A 37 -3.949 0.036 9.155 1.00 0.00 N ATOM 582 CA LYS A 37 -5.141 0.954 9.167 1.00 0.00 C ATOM 583 C LYS A 37 -5.061 1.975 8.028 1.00 0.00 C ATOM 584 O LYS A 37 -6.064 2.261 7.397 1.00 0.00 O ATOM 585 CB LYS A 37 -5.136 1.667 10.527 1.00 0.00 C ATOM 586 CG LYS A 37 -6.502 2.308 10.774 1.00 0.00 C ATOM 587 CD LYS A 37 -6.473 3.769 10.318 1.00 0.00 C ATOM 588 CE LYS A 37 -7.866 4.182 9.834 1.00 0.00 C ATOM 589 NZ LYS A 37 -8.685 4.291 11.074 1.00 0.00 N ATOM 0 H LYS A 37 -3.197 0.285 9.797 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.061 0.389 9.021 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.908 0.956 11.321 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.356 2.429 10.547 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.274 1.762 10.232 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.755 2.252 11.833 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -6.157 4.411 11.140 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.746 3.896 9.516 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.833 5.130 9.298 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.282 3.443 9.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.571 4.792 10.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.902 3.339 11.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.154 4.819 11.796 1.00 0.00 H new ATOM 603 N GLU A 38 -3.898 2.522 7.739 1.00 0.00 N ATOM 604 CA GLU A 38 -3.830 3.509 6.612 1.00 0.00 C ATOM 605 C GLU A 38 -3.984 2.768 5.277 1.00 0.00 C ATOM 606 O GLU A 38 -4.625 3.259 4.369 1.00 0.00 O ATOM 607 CB GLU A 38 -2.467 4.200 6.707 1.00 0.00 C ATOM 608 CG GLU A 38 -2.477 5.254 7.825 1.00 0.00 C ATOM 609 CD GLU A 38 -3.568 6.302 7.570 1.00 0.00 C ATOM 610 OE1 GLU A 38 -4.691 6.072 7.988 1.00 0.00 O ATOM 611 OE2 GLU A 38 -3.261 7.317 6.969 1.00 0.00 O ATOM 0 H GLU A 38 -3.018 2.334 8.220 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.628 4.249 6.672 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.690 3.461 6.903 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.225 4.673 5.755 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.648 4.770 8.787 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.504 5.741 7.882 1.00 0.00 H new ATOM 618 N LEU A 39 -3.426 1.574 5.150 1.00 0.00 N ATOM 619 CA LEU A 39 -3.591 0.812 3.858 1.00 0.00 C ATOM 620 C LEU A 39 -5.090 0.649 3.541 1.00 0.00 C ATOM 621 O LEU A 39 -5.490 0.716 2.393 1.00 0.00 O ATOM 622 CB LEU A 39 -2.942 -0.567 4.063 1.00 0.00 C ATOM 623 CG LEU A 39 -1.491 -0.525 3.579 1.00 0.00 C ATOM 624 CD1 LEU A 39 -0.787 -1.827 3.973 1.00 0.00 C ATOM 625 CD2 LEU A 39 -1.465 -0.364 2.053 1.00 0.00 C ATOM 0 H LEU A 39 -2.876 1.104 5.869 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.123 1.340 3.027 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.977 -0.844 5.117 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.498 -1.327 3.514 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.976 0.319 4.038 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.247 -1.800 3.629 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.806 -1.937 5.057 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.300 -2.672 3.513 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.432 -0.334 1.708 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.978 -1.207 1.589 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.967 0.563 1.776 1.00 0.00 H new ATOM 637 N LEU A 40 -5.926 0.452 4.548 1.00 0.00 N ATOM 638 CA LEU A 40 -7.400 0.307 4.267 1.00 0.00 C ATOM 639 C LEU A 40 -7.934 1.577 3.577 1.00 0.00 C ATOM 640 O LEU A 40 -8.801 1.500 2.727 1.00 0.00 O ATOM 641 CB LEU A 40 -8.095 0.114 5.625 1.00 0.00 C ATOM 642 CG LEU A 40 -9.488 -0.481 5.407 1.00 0.00 C ATOM 643 CD1 LEU A 40 -9.414 -2.005 5.516 1.00 0.00 C ATOM 644 CD2 LEU A 40 -10.445 0.060 6.472 1.00 0.00 C ATOM 0 H LEU A 40 -5.657 0.387 5.530 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.591 -0.538 3.606 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.502 -0.545 6.258 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.173 1.069 6.144 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.851 -0.205 4.417 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.406 -2.429 5.361 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.732 -2.391 4.759 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.052 -2.282 6.506 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.438 -0.363 6.318 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.082 -0.217 7.462 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.498 1.146 6.396 1.00 0.00 H new ATOM 656 N ARG A 41 -7.429 2.749 3.931 1.00 0.00 N ATOM 657 CA ARG A 41 -7.934 4.009 3.271 1.00 0.00 C ATOM 658 C ARG A 41 -7.727 3.929 1.752 1.00 0.00 C ATOM 659 O ARG A 41 -8.582 4.338 0.989 1.00 0.00 O ATOM 660 CB ARG A 41 -7.122 5.178 3.855 1.00 0.00 C ATOM 661 CG ARG A 41 -7.659 5.532 5.242 1.00 0.00 C ATOM 662 CD ARG A 41 -8.721 6.627 5.114 1.00 0.00 C ATOM 663 NE ARG A 41 -9.166 6.895 6.510 1.00 0.00 N ATOM 664 CZ ARG A 41 -10.297 6.407 6.939 1.00 0.00 C ATOM 665 NH1 ARG A 41 -11.422 6.986 6.619 1.00 0.00 N ATOM 666 NH2 ARG A 41 -10.303 5.338 7.689 1.00 0.00 N ATOM 0 H ARG A 41 -6.703 2.885 4.635 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.000 4.145 3.455 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -6.069 4.906 3.920 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.187 6.044 3.197 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -8.088 4.648 5.714 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.846 5.873 5.883 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -8.310 7.524 4.651 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -9.553 6.300 4.490 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.586 7.460 7.130 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -11.417 7.821 6.033 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -12.306 6.604 6.955 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.424 4.885 7.939 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -11.187 4.956 8.025 1.00 0.00 H new ATOM 680 N VAL A 42 -6.605 3.397 1.299 1.00 0.00 N ATOM 681 CA VAL A 42 -6.383 3.296 -0.190 1.00 0.00 C ATOM 682 C VAL A 42 -7.489 2.428 -0.812 1.00 0.00 C ATOM 683 O VAL A 42 -8.004 2.742 -1.869 1.00 0.00 O ATOM 684 CB VAL A 42 -4.998 2.652 -0.388 1.00 0.00 C ATOM 685 CG1 VAL A 42 -4.713 2.478 -1.883 1.00 0.00 C ATOM 686 CG2 VAL A 42 -3.927 3.557 0.226 1.00 0.00 C ATOM 0 H VAL A 42 -5.849 3.036 1.881 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.418 4.272 -0.674 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.983 1.676 0.098 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.732 2.022 -2.016 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.474 1.836 -2.326 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.730 3.452 -2.372 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.945 3.104 0.088 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.950 4.531 -0.263 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.123 3.681 1.291 1.00 0.00 H new ATOM 696 N GLY A 43 -7.874 1.350 -0.158 1.00 0.00 N ATOM 697 CA GLY A 43 -8.961 0.491 -0.711 1.00 0.00 C ATOM 698 C GLY A 43 -10.285 1.255 -0.603 1.00 0.00 C ATOM 699 O GLY A 43 -11.065 1.287 -1.537 1.00 0.00 O ATOM 0 H GLY A 43 -7.481 1.036 0.729 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.753 0.239 -1.751 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.019 -0.448 -0.161 1.00 0.00 H new ATOM 703 N GLN A 44 -10.542 1.894 0.526 1.00 0.00 N ATOM 704 CA GLN A 44 -11.823 2.678 0.668 1.00 0.00 C ATOM 705 C GLN A 44 -11.902 3.753 -0.433 1.00 0.00 C ATOM 706 O GLN A 44 -12.970 4.042 -0.941 1.00 0.00 O ATOM 707 CB GLN A 44 -11.788 3.344 2.053 1.00 0.00 C ATOM 708 CG GLN A 44 -13.218 3.619 2.525 1.00 0.00 C ATOM 709 CD GLN A 44 -13.237 4.884 3.392 1.00 0.00 C ATOM 710 OE1 GLN A 44 -12.951 5.962 2.910 1.00 0.00 O ATOM 711 NE2 GLN A 44 -13.565 4.805 4.659 1.00 0.00 N ATOM 0 H GLN A 44 -9.930 1.907 1.342 1.00 0.00 H new ATOM 0 HA GLN A 44 -12.694 2.030 0.570 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -11.277 2.697 2.766 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -11.224 4.276 2.006 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -13.878 3.744 1.666 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -13.594 2.769 3.095 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -13.806 3.902 5.068 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -13.579 5.646 5.236 1.00 0.00 H new ATOM 720 N ILE A 45 -10.780 4.338 -0.822 1.00 0.00 N ATOM 721 CA ILE A 45 -10.819 5.378 -1.910 1.00 0.00 C ATOM 722 C ILE A 45 -11.309 4.717 -3.198 1.00 0.00 C ATOM 723 O ILE A 45 -12.318 5.115 -3.748 1.00 0.00 O ATOM 724 CB ILE A 45 -9.368 5.897 -2.062 1.00 0.00 C ATOM 725 CG1 ILE A 45 -8.983 6.674 -0.798 1.00 0.00 C ATOM 726 CG2 ILE A 45 -9.237 6.814 -3.290 1.00 0.00 C ATOM 727 CD1 ILE A 45 -7.459 6.686 -0.641 1.00 0.00 C ATOM 0 H ILE A 45 -9.855 4.142 -0.438 1.00 0.00 H new ATOM 0 HA ILE A 45 -11.492 6.204 -1.681 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.702 5.045 -2.200 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -9.360 7.695 -0.859 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -9.444 6.215 0.077 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.208 7.165 -3.374 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.506 6.259 -4.189 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.904 7.669 -3.179 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.190 7.239 0.259 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.093 5.662 -0.560 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -7.007 7.165 -1.510 1.00 0.00 H new ATOM 739 N LEU A 46 -10.624 3.703 -3.678 1.00 0.00 N ATOM 740 CA LEU A 46 -11.102 3.040 -4.938 1.00 0.00 C ATOM 741 C LEU A 46 -12.502 2.429 -4.741 1.00 0.00 C ATOM 742 O LEU A 46 -13.228 2.253 -5.703 1.00 0.00 O ATOM 743 CB LEU A 46 -10.088 1.946 -5.303 1.00 0.00 C ATOM 744 CG LEU A 46 -10.483 1.307 -6.644 1.00 0.00 C ATOM 745 CD1 LEU A 46 -10.591 2.386 -7.732 1.00 0.00 C ATOM 746 CD2 LEU A 46 -9.422 0.284 -7.048 1.00 0.00 C ATOM 0 H LEU A 46 -9.776 3.313 -3.265 1.00 0.00 H new ATOM 0 HA LEU A 46 -11.179 3.774 -5.740 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.087 2.372 -5.372 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.059 1.187 -4.521 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.449 0.815 -6.534 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.871 1.922 -8.678 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.349 3.116 -7.447 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.629 2.887 -7.844 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.699 -0.171 -7.999 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.458 0.781 -7.151 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.352 -0.489 -6.283 1.00 0.00 H new ATOM 758 N LYS A 47 -12.913 2.131 -3.519 1.00 0.00 N ATOM 759 CA LYS A 47 -14.290 1.571 -3.324 1.00 0.00 C ATOM 760 C LYS A 47 -15.304 2.648 -3.720 1.00 0.00 C ATOM 761 O LYS A 47 -16.356 2.343 -4.251 1.00 0.00 O ATOM 762 CB LYS A 47 -14.433 1.220 -1.833 1.00 0.00 C ATOM 763 CG LYS A 47 -13.857 -0.175 -1.580 1.00 0.00 C ATOM 764 CD LYS A 47 -14.158 -0.599 -0.141 1.00 0.00 C ATOM 765 CE LYS A 47 -13.684 -2.037 0.077 1.00 0.00 C ATOM 766 NZ LYS A 47 -14.760 -2.889 -0.503 1.00 0.00 N ATOM 0 H LYS A 47 -12.363 2.250 -2.669 1.00 0.00 H new ATOM 0 HA LYS A 47 -14.461 0.682 -3.932 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -13.910 1.957 -1.223 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -15.483 1.250 -1.540 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -14.289 -0.891 -2.279 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.781 -0.172 -1.752 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.657 0.070 0.559 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -15.227 -0.524 0.055 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -12.729 -2.217 -0.416 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -13.540 -2.249 1.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.276 -3.366 0.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -15.418 -2.295 -1.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.338 -3.602 -1.132 1.00 0.00 H new ATOM 780 N GLU A 48 -14.992 3.914 -3.482 1.00 0.00 N ATOM 781 CA GLU A 48 -15.959 4.984 -3.877 1.00 0.00 C ATOM 782 C GLU A 48 -16.010 5.089 -5.410 1.00 0.00 C ATOM 783 O GLU A 48 -14.997 4.932 -6.063 1.00 0.00 O ATOM 784 CB GLU A 48 -15.443 6.299 -3.273 1.00 0.00 C ATOM 785 CG GLU A 48 -15.979 6.452 -1.848 1.00 0.00 C ATOM 786 CD GLU A 48 -17.443 6.892 -1.897 1.00 0.00 C ATOM 787 OE1 GLU A 48 -18.279 6.065 -2.220 1.00 0.00 O ATOM 788 OE2 GLU A 48 -17.704 8.049 -1.610 1.00 0.00 O ATOM 0 H GLU A 48 -14.130 4.237 -3.042 1.00 0.00 H new ATOM 0 HA GLU A 48 -16.964 4.763 -3.517 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -14.353 6.305 -3.265 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -15.762 7.142 -3.885 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -15.890 5.507 -1.311 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -15.386 7.186 -1.302 1.00 0.00 H new ATOM 795 N PRO A 49 -17.182 5.352 -5.949 1.00 0.00 N ATOM 796 CA PRO A 49 -17.318 5.470 -7.423 1.00 0.00 C ATOM 797 C PRO A 49 -16.653 6.765 -7.914 1.00 0.00 C ATOM 798 O PRO A 49 -15.975 6.768 -8.925 1.00 0.00 O ATOM 799 CB PRO A 49 -18.826 5.512 -7.646 1.00 0.00 C ATOM 800 CG PRO A 49 -19.390 6.023 -6.361 1.00 0.00 C ATOM 801 CD PRO A 49 -18.468 5.561 -5.264 1.00 0.00 C ATOM 0 HA PRO A 49 -16.839 4.655 -7.966 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -19.084 6.166 -8.479 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -19.218 4.523 -7.884 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -19.459 7.111 -6.375 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -20.399 5.642 -6.203 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -18.383 6.306 -4.473 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -18.828 4.643 -4.800 1.00 0.00 H new ATOM 809 N LYS A 50 -16.830 7.864 -7.206 1.00 0.00 N ATOM 810 CA LYS A 50 -16.183 9.153 -7.654 1.00 0.00 C ATOM 811 C LYS A 50 -14.658 8.970 -7.753 1.00 0.00 C ATOM 812 O LYS A 50 -14.028 9.492 -8.655 1.00 0.00 O ATOM 813 CB LYS A 50 -16.518 10.211 -6.589 1.00 0.00 C ATOM 814 CG LYS A 50 -17.856 10.872 -6.928 1.00 0.00 C ATOM 815 CD LYS A 50 -19.003 9.962 -6.485 1.00 0.00 C ATOM 816 CE LYS A 50 -20.243 10.808 -6.190 1.00 0.00 C ATOM 817 NZ LYS A 50 -21.226 9.858 -5.599 1.00 0.00 N ATOM 0 H LYS A 50 -17.384 7.927 -6.352 1.00 0.00 H new ATOM 0 HA LYS A 50 -16.549 9.455 -8.635 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -16.569 9.747 -5.604 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -15.730 10.962 -6.547 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -17.932 11.839 -6.430 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -17.920 11.059 -8.000 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -19.224 9.233 -7.265 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -18.713 9.401 -5.597 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -20.012 11.618 -5.498 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -20.634 11.266 -7.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -22.104 10.365 -5.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -21.431 9.101 -6.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -20.829 9.443 -4.732 1.00 0.00 H new ATOM 831 N MET A 51 -14.059 8.224 -6.844 1.00 0.00 N ATOM 832 CA MET A 51 -12.568 8.011 -6.916 1.00 0.00 C ATOM 833 C MET A 51 -12.233 7.049 -8.069 1.00 0.00 C ATOM 834 O MET A 51 -11.236 7.216 -8.746 1.00 0.00 O ATOM 835 CB MET A 51 -12.140 7.389 -5.578 1.00 0.00 C ATOM 836 CG MET A 51 -12.595 8.280 -4.413 1.00 0.00 C ATOM 837 SD MET A 51 -11.203 9.247 -3.758 1.00 0.00 S ATOM 838 CE MET A 51 -10.584 9.908 -5.326 1.00 0.00 C ATOM 0 H MET A 51 -14.529 7.760 -6.067 1.00 0.00 H new ATOM 0 HA MET A 51 -12.047 8.951 -7.095 1.00 0.00 H new ATOM 0 HB2 MET A 51 -12.573 6.394 -5.476 1.00 0.00 H new ATOM 0 HB3 MET A 51 -11.057 7.270 -5.553 1.00 0.00 H new ATOM 0 HG2 MET A 51 -13.384 8.952 -4.750 1.00 0.00 H new ATOM 0 HG3 MET A 51 -13.019 7.663 -3.621 1.00 0.00 H new ATOM 0 HE1 MET A 51 -9.833 10.673 -5.127 1.00 0.00 H new ATOM 0 HE2 MET A 51 -10.136 9.103 -5.909 1.00 0.00 H new ATOM 0 HE3 MET A 51 -11.409 10.346 -5.887 1.00 0.00 H new ATOM 848 N ALA A 52 -13.057 6.040 -8.303 1.00 0.00 N ATOM 849 CA ALA A 52 -12.768 5.073 -9.428 1.00 0.00 C ATOM 850 C ALA A 52 -12.525 5.836 -10.743 1.00 0.00 C ATOM 851 O ALA A 52 -11.693 5.447 -11.541 1.00 0.00 O ATOM 852 CB ALA A 52 -14.012 4.178 -9.565 1.00 0.00 C ATOM 0 H ALA A 52 -13.906 5.846 -7.771 1.00 0.00 H new ATOM 0 HA ALA A 52 -11.875 4.485 -9.217 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -13.855 3.458 -10.368 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -14.183 3.646 -8.629 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -14.881 4.795 -9.795 1.00 0.00 H new ATOM 858 N ALA A 53 -13.239 6.921 -10.974 1.00 0.00 N ATOM 859 CA ALA A 53 -13.023 7.698 -12.248 1.00 0.00 C ATOM 860 C ALA A 53 -11.556 8.153 -12.366 1.00 0.00 C ATOM 861 O ALA A 53 -11.032 8.263 -13.458 1.00 0.00 O ATOM 862 CB ALA A 53 -13.948 8.925 -12.179 1.00 0.00 C ATOM 0 H ALA A 53 -13.950 7.298 -10.348 1.00 0.00 H new ATOM 0 HA ALA A 53 -13.245 7.080 -13.118 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.828 9.522 -13.083 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.984 8.596 -12.097 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -13.689 9.528 -11.309 1.00 0.00 H new ATOM 868 N SER A 54 -10.884 8.425 -11.259 1.00 0.00 N ATOM 869 CA SER A 54 -9.453 8.876 -11.346 1.00 0.00 C ATOM 870 C SER A 54 -8.493 7.721 -11.026 1.00 0.00 C ATOM 871 O SER A 54 -7.502 7.537 -11.709 1.00 0.00 O ATOM 872 CB SER A 54 -9.305 9.994 -10.307 1.00 0.00 C ATOM 873 OG SER A 54 -10.209 11.046 -10.617 1.00 0.00 O ATOM 0 H SER A 54 -11.262 8.354 -10.314 1.00 0.00 H new ATOM 0 HA SER A 54 -9.208 9.220 -12.351 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.508 9.607 -9.308 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.281 10.368 -10.302 1.00 0.00 H new ATOM 0 HG SER A 54 -10.118 11.762 -9.954 1.00 0.00 H new ATOM 879 N LEU A 55 -8.766 6.934 -10.002 1.00 0.00 N ATOM 880 CA LEU A 55 -7.835 5.791 -9.673 1.00 0.00 C ATOM 881 C LEU A 55 -7.662 4.877 -10.898 1.00 0.00 C ATOM 882 O LEU A 55 -6.592 4.344 -11.128 1.00 0.00 O ATOM 883 CB LEU A 55 -8.478 5.011 -8.516 1.00 0.00 C ATOM 884 CG LEU A 55 -8.038 5.623 -7.186 1.00 0.00 C ATOM 885 CD1 LEU A 55 -8.968 6.781 -6.826 1.00 0.00 C ATOM 886 CD2 LEU A 55 -8.104 4.558 -6.089 1.00 0.00 C ATOM 0 H LEU A 55 -9.576 7.029 -9.390 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.848 6.160 -9.394 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.564 5.041 -8.601 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.184 3.962 -8.562 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.016 5.991 -7.276 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.655 7.218 -5.878 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.924 7.540 -7.607 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.990 6.412 -6.736 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.790 4.993 -5.140 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.126 4.191 -6.000 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.442 3.731 -6.345 1.00 0.00 H new ATOM 898 N LEU A 56 -8.698 4.696 -11.695 1.00 0.00 N ATOM 899 CA LEU A 56 -8.571 3.825 -12.899 1.00 0.00 C ATOM 900 C LEU A 56 -8.742 4.658 -14.179 1.00 0.00 C ATOM 901 O LEU A 56 -9.351 4.211 -15.132 1.00 0.00 O ATOM 902 CB LEU A 56 -9.696 2.797 -12.775 1.00 0.00 C ATOM 903 CG LEU A 56 -9.217 1.445 -13.313 1.00 0.00 C ATOM 904 CD1 LEU A 56 -10.216 0.356 -12.918 1.00 0.00 C ATOM 905 CD2 LEU A 56 -9.113 1.510 -14.839 1.00 0.00 C ATOM 0 H LEU A 56 -9.618 5.115 -11.558 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.592 3.349 -12.957 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -9.999 2.698 -11.733 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -10.571 3.132 -13.331 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.239 1.213 -12.891 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -9.876 -0.606 -13.301 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -10.292 0.308 -11.832 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -11.194 0.589 -13.340 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.772 0.548 -15.222 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.091 1.743 -15.261 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.402 2.286 -15.123 1.00 0.00 H new ATOM 917 N ASN A 57 -8.210 5.866 -14.218 1.00 0.00 N ATOM 918 CA ASN A 57 -8.354 6.695 -15.450 1.00 0.00 C ATOM 919 C ASN A 57 -7.082 6.592 -16.304 1.00 0.00 C ATOM 920 O ASN A 57 -6.025 7.003 -15.868 1.00 0.00 O ATOM 921 CB ASN A 57 -8.553 8.140 -14.967 1.00 0.00 C ATOM 922 CG ASN A 57 -9.639 8.823 -15.810 1.00 0.00 C ATOM 923 OD1 ASN A 57 -9.922 8.398 -16.913 1.00 0.00 O ATOM 924 ND2 ASN A 57 -10.266 9.875 -15.340 1.00 0.00 N ATOM 0 H ASN A 57 -7.690 6.302 -13.456 1.00 0.00 H new ATOM 0 HA ASN A 57 -9.190 6.361 -16.064 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -8.838 8.146 -13.915 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -7.617 8.692 -15.046 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -10.986 10.331 -15.899 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -10.033 10.236 -14.415 1.00 0.00 H new ATOM 931 N PRO A 58 -7.217 6.085 -17.518 1.00 0.00 N ATOM 932 CA PRO A 58 -6.045 5.997 -18.421 1.00 0.00 C ATOM 933 C PRO A 58 -5.791 7.346 -19.148 1.00 0.00 C ATOM 934 O PRO A 58 -4.970 7.415 -20.043 1.00 0.00 O ATOM 935 CB PRO A 58 -6.451 4.925 -19.427 1.00 0.00 C ATOM 936 CG PRO A 58 -7.950 4.933 -19.444 1.00 0.00 C ATOM 937 CD PRO A 58 -8.432 5.547 -18.152 1.00 0.00 C ATOM 0 HA PRO A 58 -5.124 5.765 -17.887 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -6.047 5.142 -20.416 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -6.068 3.948 -19.134 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -8.318 5.504 -20.297 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -8.335 3.919 -19.550 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.164 6.333 -18.336 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -8.915 4.805 -17.517 1.00 0.00 H new ATOM 945 N TYR A 59 -6.477 8.419 -18.778 1.00 0.00 N ATOM 946 CA TYR A 59 -6.256 9.737 -19.451 1.00 0.00 C ATOM 947 C TYR A 59 -5.216 10.591 -18.692 1.00 0.00 C ATOM 948 O TYR A 59 -4.715 11.560 -19.231 1.00 0.00 O ATOM 949 CB TYR A 59 -7.626 10.427 -19.422 1.00 0.00 C ATOM 950 CG TYR A 59 -8.515 9.823 -20.485 1.00 0.00 C ATOM 951 CD1 TYR A 59 -8.965 8.502 -20.354 1.00 0.00 C ATOM 952 CD2 TYR A 59 -8.886 10.582 -21.601 1.00 0.00 C ATOM 953 CE1 TYR A 59 -9.788 7.944 -21.339 1.00 0.00 C ATOM 954 CE2 TYR A 59 -9.709 10.022 -22.585 1.00 0.00 C ATOM 955 CZ TYR A 59 -10.159 8.703 -22.455 1.00 0.00 C ATOM 956 OH TYR A 59 -10.970 8.152 -23.426 1.00 0.00 O ATOM 0 H TYR A 59 -7.178 8.428 -18.037 1.00 0.00 H new ATOM 0 HA TYR A 59 -5.869 9.609 -20.462 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -8.084 10.310 -18.440 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.510 11.497 -19.594 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.677 7.915 -19.494 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -8.537 11.599 -21.703 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -10.137 6.927 -21.238 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.997 10.608 -23.445 1.00 0.00 H new ATOM 0 HH TYR A 59 -11.132 8.813 -24.131 1.00 0.00 H new ATOM 966 N VAL A 60 -4.884 10.260 -17.450 1.00 0.00 N ATOM 967 CA VAL A 60 -3.874 11.096 -16.708 1.00 0.00 C ATOM 968 C VAL A 60 -2.471 10.455 -16.753 1.00 0.00 C ATOM 969 O VAL A 60 -1.716 10.559 -15.806 1.00 0.00 O ATOM 970 CB VAL A 60 -4.377 11.211 -15.254 1.00 0.00 C ATOM 971 CG1 VAL A 60 -5.784 11.816 -15.239 1.00 0.00 C ATOM 972 CG2 VAL A 60 -4.411 9.831 -14.576 1.00 0.00 C ATOM 0 H VAL A 60 -5.261 9.466 -16.933 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.778 12.079 -17.170 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.690 11.855 -14.705 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.135 11.895 -14.210 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.759 12.807 -15.691 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.461 11.176 -15.805 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.769 9.937 -13.552 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.081 9.171 -15.128 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.408 9.405 -14.567 1.00 0.00 H new ATOM 982 N LYS A 61 -2.104 9.805 -17.844 1.00 0.00 N ATOM 983 CA LYS A 61 -0.743 9.179 -17.941 1.00 0.00 C ATOM 984 C LYS A 61 -0.436 8.304 -16.710 1.00 0.00 C ATOM 985 O LYS A 61 -1.280 8.113 -15.855 1.00 0.00 O ATOM 986 CB LYS A 61 0.230 10.359 -18.015 1.00 0.00 C ATOM 987 CG LYS A 61 0.465 10.736 -19.478 1.00 0.00 C ATOM 988 CD LYS A 61 1.866 11.332 -19.635 1.00 0.00 C ATOM 989 CE LYS A 61 1.844 12.414 -20.716 1.00 0.00 C ATOM 990 NZ LYS A 61 1.604 13.687 -19.981 1.00 0.00 N ATOM 0 H LYS A 61 -2.692 9.684 -18.669 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.667 8.521 -18.806 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.174 11.212 -17.469 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.175 10.095 -17.540 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.360 9.856 -20.112 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.286 11.456 -19.804 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.200 11.756 -18.688 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.577 10.550 -19.903 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.787 12.445 -21.263 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.058 12.226 -21.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.576 14.478 -20.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.697 13.630 -19.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.372 13.843 -19.297 1.00 0.00 H new ATOM 1004 N ARG A 62 0.771 7.778 -16.612 1.00 0.00 N ATOM 1005 CA ARG A 62 1.126 6.928 -15.432 1.00 0.00 C ATOM 1006 C ARG A 62 2.103 7.689 -14.521 1.00 0.00 C ATOM 1007 O ARG A 62 1.853 7.848 -13.341 1.00 0.00 O ATOM 1008 CB ARG A 62 1.788 5.673 -16.016 1.00 0.00 C ATOM 1009 CG ARG A 62 2.224 4.738 -14.883 1.00 0.00 C ATOM 1010 CD ARG A 62 0.991 4.118 -14.222 1.00 0.00 C ATOM 1011 NE ARG A 62 0.437 3.182 -15.241 1.00 0.00 N ATOM 1012 CZ ARG A 62 -0.794 3.321 -15.652 1.00 0.00 C ATOM 1013 NH1 ARG A 62 -1.755 3.494 -14.788 1.00 0.00 N ATOM 1014 NH2 ARG A 62 -1.063 3.285 -16.929 1.00 0.00 N ATOM 0 H ARG A 62 1.517 7.903 -17.296 1.00 0.00 H new ATOM 0 HA ARG A 62 0.256 6.671 -14.828 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.091 5.158 -16.677 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.651 5.954 -16.620 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.872 3.954 -15.275 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.805 5.291 -14.145 1.00 0.00 H new ATOM 0 HD2 ARG A 62 1.257 3.591 -13.306 1.00 0.00 H new ATOM 0 HD3 ARG A 62 0.263 4.882 -13.950 1.00 0.00 H new ATOM 0 HE ARG A 62 1.019 2.434 -15.617 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -1.545 3.521 -13.790 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -2.717 3.603 -15.110 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -0.311 3.148 -17.605 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.025 3.394 -17.251 1.00 0.00 H new ATOM 1028 N SER A 63 3.211 8.169 -15.055 1.00 0.00 N ATOM 1029 CA SER A 63 4.188 8.930 -14.189 1.00 0.00 C ATOM 1030 C SER A 63 3.485 10.143 -13.559 1.00 0.00 C ATOM 1031 O SER A 63 3.679 10.437 -12.395 1.00 0.00 O ATOM 1032 CB SER A 63 5.328 9.396 -15.106 1.00 0.00 C ATOM 1033 OG SER A 63 5.589 8.392 -16.079 1.00 0.00 O ATOM 0 H SER A 63 3.479 8.070 -16.034 1.00 0.00 H new ATOM 0 HA SER A 63 4.571 8.305 -13.382 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.057 10.331 -15.596 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.225 9.592 -14.519 1.00 0.00 H new ATOM 0 HG SER A 63 6.315 8.687 -16.667 1.00 0.00 H new ATOM 1039 N VAL A 64 2.658 10.842 -14.314 1.00 0.00 N ATOM 1040 CA VAL A 64 1.939 12.028 -13.725 1.00 0.00 C ATOM 1041 C VAL A 64 1.004 11.548 -12.603 1.00 0.00 C ATOM 1042 O VAL A 64 0.903 12.178 -11.567 1.00 0.00 O ATOM 1043 CB VAL A 64 1.128 12.668 -14.867 1.00 0.00 C ATOM 1044 CG1 VAL A 64 0.368 13.887 -14.340 1.00 0.00 C ATOM 1045 CG2 VAL A 64 2.081 13.110 -15.980 1.00 0.00 C ATOM 0 H VAL A 64 2.453 10.647 -15.294 1.00 0.00 H new ATOM 0 HA VAL A 64 2.635 12.751 -13.299 1.00 0.00 H new ATOM 0 HB VAL A 64 0.418 11.939 -15.257 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.205 14.337 -15.151 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.310 13.577 -13.545 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.077 14.616 -13.948 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.509 13.563 -16.790 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.790 13.838 -15.585 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.624 12.244 -16.360 1.00 0.00 H new ATOM 1055 N LYS A 65 0.324 10.431 -12.793 1.00 0.00 N ATOM 1056 CA LYS A 65 -0.596 9.922 -11.712 1.00 0.00 C ATOM 1057 C LYS A 65 0.188 9.701 -10.405 1.00 0.00 C ATOM 1058 O LYS A 65 -0.331 9.925 -9.328 1.00 0.00 O ATOM 1059 CB LYS A 65 -1.173 8.588 -12.212 1.00 0.00 C ATOM 1060 CG LYS A 65 -2.192 8.060 -11.200 1.00 0.00 C ATOM 1061 CD LYS A 65 -3.333 7.358 -11.941 1.00 0.00 C ATOM 1062 CE LYS A 65 -4.493 7.110 -10.974 1.00 0.00 C ATOM 1063 NZ LYS A 65 -5.202 8.416 -10.880 1.00 0.00 N ATOM 0 H LYS A 65 0.365 9.858 -13.636 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.389 10.641 -11.506 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -1.648 8.726 -13.183 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.372 7.862 -12.349 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.710 7.366 -10.512 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -2.585 8.882 -10.601 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -3.668 7.970 -12.778 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -2.984 6.413 -12.357 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -5.155 6.327 -11.344 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.131 6.786 -9.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.388 8.639 -9.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.611 9.163 -11.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.104 8.359 -11.395 1.00 0.00 H new ATOM 1077 N VAL A 66 1.436 9.268 -10.483 1.00 0.00 N ATOM 1078 CA VAL A 66 2.229 9.047 -9.216 1.00 0.00 C ATOM 1079 C VAL A 66 2.299 10.359 -8.413 1.00 0.00 C ATOM 1080 O VAL A 66 2.180 10.350 -7.202 1.00 0.00 O ATOM 1081 CB VAL A 66 3.642 8.600 -9.643 1.00 0.00 C ATOM 1082 CG1 VAL A 66 4.515 8.380 -8.404 1.00 0.00 C ATOM 1083 CG2 VAL A 66 3.548 7.289 -10.428 1.00 0.00 C ATOM 0 H VAL A 66 1.931 9.062 -11.351 1.00 0.00 H new ATOM 0 HA VAL A 66 1.763 8.292 -8.583 1.00 0.00 H new ATOM 0 HB VAL A 66 4.086 9.375 -10.268 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.512 8.064 -8.713 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.587 9.310 -7.840 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.068 7.609 -7.776 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.547 6.973 -10.730 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.099 6.520 -9.800 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.932 7.439 -11.314 1.00 0.00 H new ATOM 1093 N LYS A 67 2.486 11.487 -9.074 1.00 0.00 N ATOM 1094 CA LYS A 67 2.551 12.790 -8.315 1.00 0.00 C ATOM 1095 C LYS A 67 1.234 13.019 -7.554 1.00 0.00 C ATOM 1096 O LYS A 67 1.240 13.488 -6.432 1.00 0.00 O ATOM 1097 CB LYS A 67 2.764 13.909 -9.349 1.00 0.00 C ATOM 1098 CG LYS A 67 4.255 14.241 -9.443 1.00 0.00 C ATOM 1099 CD LYS A 67 5.007 13.053 -10.046 1.00 0.00 C ATOM 1100 CE LYS A 67 6.510 13.238 -9.829 1.00 0.00 C ATOM 1101 NZ LYS A 67 7.156 12.475 -10.934 1.00 0.00 N ATOM 0 H LYS A 67 2.594 11.563 -10.085 1.00 0.00 H new ATOM 0 HA LYS A 67 3.363 12.776 -7.589 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.389 13.595 -10.323 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.200 14.797 -9.061 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.402 15.128 -10.059 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.650 14.470 -8.453 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.673 12.125 -9.583 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.789 12.974 -11.111 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.787 14.292 -9.863 1.00 0.00 H new ATOM 0 HE3 LYS A 67 6.818 12.858 -8.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.190 12.554 -10.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 6.880 11.474 -10.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 6.850 12.863 -11.849 1.00 0.00 H new ATOM 1115 N SER A 68 0.102 12.688 -8.150 1.00 0.00 N ATOM 1116 CA SER A 68 -1.210 12.894 -7.431 1.00 0.00 C ATOM 1117 C SER A 68 -1.206 12.137 -6.091 1.00 0.00 C ATOM 1118 O SER A 68 -1.748 12.613 -5.111 1.00 0.00 O ATOM 1119 CB SER A 68 -2.309 12.337 -8.346 1.00 0.00 C ATOM 1120 OG SER A 68 -3.564 12.429 -7.682 1.00 0.00 O ATOM 0 H SER A 68 0.029 12.291 -9.087 1.00 0.00 H new ATOM 0 HA SER A 68 -1.375 13.950 -7.216 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.337 12.896 -9.281 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.095 11.299 -8.601 1.00 0.00 H new ATOM 0 HG SER A 68 -4.269 12.076 -8.264 1.00 0.00 H new ATOM 1126 N LEU A 69 -0.598 10.965 -6.032 1.00 0.00 N ATOM 1127 CA LEU A 69 -0.574 10.207 -4.732 1.00 0.00 C ATOM 1128 C LEU A 69 0.190 11.023 -3.682 1.00 0.00 C ATOM 1129 O LEU A 69 -0.311 11.266 -2.601 1.00 0.00 O ATOM 1130 CB LEU A 69 0.149 8.875 -4.999 1.00 0.00 C ATOM 1131 CG LEU A 69 -0.795 7.911 -5.742 1.00 0.00 C ATOM 1132 CD1 LEU A 69 -0.275 7.666 -7.160 1.00 0.00 C ATOM 1133 CD2 LEU A 69 -0.863 6.575 -4.994 1.00 0.00 C ATOM 0 H LEU A 69 -0.126 10.510 -6.813 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.582 10.027 -4.359 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.046 9.050 -5.593 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.471 8.430 -4.058 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.789 8.355 -5.790 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.946 6.983 -7.681 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.229 8.612 -7.699 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.722 7.228 -7.111 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.532 5.896 -5.523 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.133 6.136 -4.942 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.239 6.742 -3.985 1.00 0.00 H new ATOM 1145 N SER A 70 1.395 11.462 -3.991 1.00 0.00 N ATOM 1146 CA SER A 70 2.170 12.279 -2.987 1.00 0.00 C ATOM 1147 C SER A 70 1.381 13.553 -2.643 1.00 0.00 C ATOM 1148 O SER A 70 1.303 13.944 -1.492 1.00 0.00 O ATOM 1149 CB SER A 70 3.509 12.645 -3.645 1.00 0.00 C ATOM 1150 OG SER A 70 4.430 13.049 -2.641 1.00 0.00 O ATOM 0 H SER A 70 1.869 11.294 -4.878 1.00 0.00 H new ATOM 0 HA SER A 70 2.335 11.722 -2.065 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.903 11.790 -4.194 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.365 13.449 -4.367 1.00 0.00 H new ATOM 0 HG SER A 70 5.286 13.282 -3.057 1.00 0.00 H new ATOM 1156 N ASP A 71 0.780 14.198 -3.625 1.00 0.00 N ATOM 1157 CA ASP A 71 -0.020 15.440 -3.321 1.00 0.00 C ATOM 1158 C ASP A 71 -1.314 15.083 -2.564 1.00 0.00 C ATOM 1159 O ASP A 71 -1.854 15.910 -1.851 1.00 0.00 O ATOM 1160 CB ASP A 71 -0.353 16.096 -4.670 1.00 0.00 C ATOM 1161 CG ASP A 71 -0.606 17.591 -4.461 1.00 0.00 C ATOM 1162 OD1 ASP A 71 -1.533 17.920 -3.739 1.00 0.00 O ATOM 1163 OD2 ASP A 71 0.131 18.381 -5.027 1.00 0.00 O ATOM 0 H ASP A 71 0.807 13.925 -4.607 1.00 0.00 H new ATOM 0 HA ASP A 71 0.548 16.119 -2.685 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.469 15.950 -5.371 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.233 15.625 -5.108 1.00 0.00 H new ATOM 1168 N MET A 72 -1.799 13.856 -2.665 1.00 0.00 N ATOM 1169 CA MET A 72 -3.028 13.478 -1.893 1.00 0.00 C ATOM 1170 C MET A 72 -2.554 12.993 -0.524 1.00 0.00 C ATOM 1171 O MET A 72 -3.080 13.379 0.502 1.00 0.00 O ATOM 1172 CB MET A 72 -3.713 12.344 -2.673 1.00 0.00 C ATOM 1173 CG MET A 72 -5.116 12.112 -2.108 1.00 0.00 C ATOM 1174 SD MET A 72 -5.715 10.487 -2.635 1.00 0.00 S ATOM 1175 CE MET A 72 -4.724 9.497 -1.490 1.00 0.00 C ATOM 0 H MET A 72 -1.400 13.115 -3.241 1.00 0.00 H new ATOM 0 HA MET A 72 -3.730 14.302 -1.764 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.773 12.600 -3.731 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.124 11.430 -2.599 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.096 12.169 -1.020 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.794 12.892 -2.456 1.00 0.00 H new ATOM 0 HE1 MET A 72 -4.118 8.787 -2.053 1.00 0.00 H new ATOM 0 HE2 MET A 72 -4.072 10.152 -0.913 1.00 0.00 H new ATOM 0 HE3 MET A 72 -5.384 8.954 -0.813 1.00 0.00 H new ATOM 1185 N THR A 73 -1.517 12.174 -0.504 1.00 0.00 N ATOM 1186 CA THR A 73 -0.952 11.691 0.797 1.00 0.00 C ATOM 1187 C THR A 73 -0.635 12.904 1.702 1.00 0.00 C ATOM 1188 O THR A 73 -0.827 12.849 2.903 1.00 0.00 O ATOM 1189 CB THR A 73 0.342 10.937 0.412 1.00 0.00 C ATOM 1190 OG1 THR A 73 0.022 9.770 -0.355 1.00 0.00 O ATOM 1191 CG2 THR A 73 1.118 10.543 1.662 1.00 0.00 C ATOM 0 H THR A 73 -1.042 11.823 -1.336 1.00 0.00 H new ATOM 0 HA THR A 73 -1.640 11.050 1.348 1.00 0.00 H new ATOM 0 HB THR A 73 0.964 11.598 -0.191 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.146 10.026 -1.286 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.026 10.013 1.375 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.383 11.439 2.223 1.00 0.00 H new ATOM 0 HG23 THR A 73 0.501 9.894 2.284 1.00 0.00 H new ATOM 1199 N ALA A 74 -0.158 14.003 1.135 1.00 0.00 N ATOM 1200 CA ALA A 74 0.151 15.210 1.990 1.00 0.00 C ATOM 1201 C ALA A 74 -1.112 15.650 2.751 1.00 0.00 C ATOM 1202 O ALA A 74 -1.041 16.024 3.907 1.00 0.00 O ATOM 1203 CB ALA A 74 0.608 16.325 1.038 1.00 0.00 C ATOM 0 H ALA A 74 0.027 14.114 0.138 1.00 0.00 H new ATOM 0 HA ALA A 74 0.924 14.983 2.724 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.843 17.221 1.613 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.495 15.999 0.495 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.190 16.548 0.329 1.00 0.00 H new ATOM 1209 N LYS A 75 -2.271 15.594 2.121 1.00 0.00 N ATOM 1210 CA LYS A 75 -3.530 16.001 2.837 1.00 0.00 C ATOM 1211 C LYS A 75 -4.046 14.830 3.691 1.00 0.00 C ATOM 1212 O LYS A 75 -4.541 15.031 4.785 1.00 0.00 O ATOM 1213 CB LYS A 75 -4.555 16.363 1.752 1.00 0.00 C ATOM 1214 CG LYS A 75 -5.461 17.488 2.257 1.00 0.00 C ATOM 1215 CD LYS A 75 -4.927 18.835 1.767 1.00 0.00 C ATOM 1216 CE LYS A 75 -5.596 19.198 0.439 1.00 0.00 C ATOM 1217 NZ LYS A 75 -4.811 20.350 -0.085 1.00 0.00 N ATOM 0 H LYS A 75 -2.397 15.288 1.156 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.354 16.846 3.503 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.042 16.676 0.843 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -5.153 15.488 1.496 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -6.479 17.337 1.899 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.501 17.475 3.346 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.125 19.608 2.509 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.846 18.785 1.640 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.576 18.358 -0.256 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.642 19.467 0.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.210 20.656 -0.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -4.854 21.137 0.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.821 20.063 -0.220 1.00 0.00 H new ATOM 1231 N GLU A 76 -3.927 13.603 3.212 1.00 0.00 N ATOM 1232 CA GLU A 76 -4.412 12.431 4.029 1.00 0.00 C ATOM 1233 C GLU A 76 -3.598 12.283 5.333 1.00 0.00 C ATOM 1234 O GLU A 76 -4.042 11.627 6.257 1.00 0.00 O ATOM 1235 CB GLU A 76 -4.232 11.179 3.156 1.00 0.00 C ATOM 1236 CG GLU A 76 -5.097 10.044 3.708 1.00 0.00 C ATOM 1237 CD GLU A 76 -6.454 10.045 3.002 1.00 0.00 C ATOM 1238 OE1 GLU A 76 -7.347 10.727 3.479 1.00 0.00 O ATOM 1239 OE2 GLU A 76 -6.578 9.366 1.997 1.00 0.00 O ATOM 0 H GLU A 76 -3.522 13.366 2.306 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.454 12.575 4.315 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.514 11.397 2.126 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.184 10.879 3.143 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.598 9.087 3.558 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.234 10.167 4.782 1.00 0.00 H new ATOM 1246 N LYS A 77 -2.411 12.868 5.429 1.00 0.00 N ATOM 1247 CA LYS A 77 -1.595 12.730 6.680 1.00 0.00 C ATOM 1248 C LYS A 77 -1.296 11.247 6.944 1.00 0.00 C ATOM 1249 O LYS A 77 -1.447 10.769 8.052 1.00 0.00 O ATOM 1250 CB LYS A 77 -2.443 13.325 7.813 1.00 0.00 C ATOM 1251 CG LYS A 77 -1.522 13.847 8.918 1.00 0.00 C ATOM 1252 CD LYS A 77 -0.815 15.115 8.438 1.00 0.00 C ATOM 1253 CE LYS A 77 -0.553 16.038 9.630 1.00 0.00 C ATOM 1254 NZ LYS A 77 -0.620 17.417 9.072 1.00 0.00 N ATOM 0 H LYS A 77 -1.982 13.430 4.694 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.638 13.246 6.599 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.065 14.134 7.430 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -3.117 12.568 8.214 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -2.100 14.059 9.818 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.787 13.087 9.183 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.125 14.857 7.951 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.428 15.627 7.696 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.297 15.892 10.413 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.422 15.840 10.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.450 18.107 9.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.104 17.528 8.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.561 17.580 8.661 1.00 0.00 H new ATOM 1268 N PHE A 78 -0.872 10.514 5.930 1.00 0.00 N ATOM 1269 CA PHE A 78 -0.564 9.050 6.140 1.00 0.00 C ATOM 1270 C PHE A 78 0.477 8.881 7.256 1.00 0.00 C ATOM 1271 O PHE A 78 0.851 9.839 7.906 1.00 0.00 O ATOM 1272 CB PHE A 78 -0.026 8.508 4.801 1.00 0.00 C ATOM 1273 CG PHE A 78 -1.164 7.862 4.043 1.00 0.00 C ATOM 1274 CD1 PHE A 78 -1.901 6.836 4.645 1.00 0.00 C ATOM 1275 CD2 PHE A 78 -1.488 8.293 2.751 1.00 0.00 C ATOM 1276 CE1 PHE A 78 -2.965 6.240 3.955 1.00 0.00 C ATOM 1277 CE2 PHE A 78 -2.552 7.697 2.061 1.00 0.00 C ATOM 1278 CZ PHE A 78 -3.291 6.670 2.664 1.00 0.00 C ATOM 0 H PHE A 78 -0.728 10.858 4.981 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.455 8.501 6.444 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.407 9.317 4.213 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.768 7.783 4.979 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.650 6.504 5.641 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.918 9.084 2.286 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.534 5.448 4.420 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.803 8.029 1.064 1.00 0.00 H new ATOM 0 HZ PHE A 78 -4.111 6.211 2.133 1.00 0.00 H new ATOM 1288 N SER A 79 0.949 7.674 7.489 1.00 0.00 N ATOM 1289 CA SER A 79 1.953 7.465 8.564 1.00 0.00 C ATOM 1290 C SER A 79 3.327 7.248 7.928 1.00 0.00 C ATOM 1291 O SER A 79 3.468 7.421 6.732 1.00 0.00 O ATOM 1292 CB SER A 79 1.474 6.220 9.323 1.00 0.00 C ATOM 1293 OG SER A 79 0.066 6.101 9.194 1.00 0.00 O ATOM 0 H SER A 79 0.678 6.834 6.978 1.00 0.00 H new ATOM 0 HA SER A 79 2.047 8.316 9.239 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.963 5.329 8.928 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.749 6.294 10.375 1.00 0.00 H new ATOM 0 HG SER A 79 -0.191 5.159 9.272 1.00 0.00 H new ATOM 1299 N PRO A 80 4.310 6.877 8.723 1.00 0.00 N ATOM 1300 CA PRO A 80 5.655 6.654 8.156 1.00 0.00 C ATOM 1301 C PRO A 80 5.742 5.328 7.378 1.00 0.00 C ATOM 1302 O PRO A 80 6.739 5.072 6.726 1.00 0.00 O ATOM 1303 CB PRO A 80 6.565 6.649 9.371 1.00 0.00 C ATOM 1304 CG PRO A 80 5.699 6.257 10.524 1.00 0.00 C ATOM 1305 CD PRO A 80 4.282 6.634 10.178 1.00 0.00 C ATOM 0 HA PRO A 80 5.928 7.418 7.428 1.00 0.00 H new ATOM 0 HB2 PRO A 80 7.387 5.945 9.242 1.00 0.00 H new ATOM 0 HB3 PRO A 80 7.009 7.631 9.531 1.00 0.00 H new ATOM 0 HG2 PRO A 80 5.775 5.186 10.713 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.019 6.765 11.434 1.00 0.00 H new ATOM 0 HD2 PRO A 80 3.585 5.836 10.434 1.00 0.00 H new ATOM 0 HD3 PRO A 80 3.963 7.523 10.723 1.00 0.00 H new ATOM 1313 N LEU A 81 4.719 4.489 7.402 1.00 0.00 N ATOM 1314 CA LEU A 81 4.787 3.225 6.625 1.00 0.00 C ATOM 1315 C LEU A 81 3.711 3.207 5.529 1.00 0.00 C ATOM 1316 O LEU A 81 3.453 2.169 4.947 1.00 0.00 O ATOM 1317 CB LEU A 81 4.525 2.118 7.642 1.00 0.00 C ATOM 1318 CG LEU A 81 5.853 1.693 8.278 1.00 0.00 C ATOM 1319 CD1 LEU A 81 5.637 1.349 9.751 1.00 0.00 C ATOM 1320 CD2 LEU A 81 6.403 0.467 7.543 1.00 0.00 C ATOM 0 H LEU A 81 3.855 4.635 7.924 1.00 0.00 H new ATOM 0 HA LEU A 81 5.749 3.106 6.126 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.836 2.469 8.410 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.052 1.265 7.155 1.00 0.00 H new ATOM 0 HG LEU A 81 6.565 2.515 8.202 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.585 1.048 10.197 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.250 2.223 10.276 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.921 0.531 9.832 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.348 0.165 7.995 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.687 -0.352 7.616 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.566 0.714 6.494 1.00 0.00 H new ATOM 1332 N THR A 82 3.065 4.329 5.239 1.00 0.00 N ATOM 1333 CA THR A 82 2.012 4.313 4.191 1.00 0.00 C ATOM 1334 C THR A 82 2.277 5.317 3.047 1.00 0.00 C ATOM 1335 O THR A 82 1.458 5.436 2.152 1.00 0.00 O ATOM 1336 CB THR A 82 0.716 4.638 4.935 1.00 0.00 C ATOM 1337 OG1 THR A 82 0.810 4.147 6.267 1.00 0.00 O ATOM 1338 CG2 THR A 82 -0.444 3.942 4.217 1.00 0.00 C ATOM 0 H THR A 82 3.229 5.232 5.683 1.00 0.00 H new ATOM 0 HA THR A 82 1.976 3.345 3.691 1.00 0.00 H new ATOM 0 HB THR A 82 0.550 5.715 4.955 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.277 4.713 6.863 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.377 4.163 4.735 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.505 4.302 3.190 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.277 2.865 4.215 1.00 0.00 H new ATOM 1346 N SER A 83 3.410 6.002 3.015 1.00 0.00 N ATOM 1347 CA SER A 83 3.676 6.926 1.870 1.00 0.00 C ATOM 1348 C SER A 83 4.822 6.342 1.025 1.00 0.00 C ATOM 1349 O SER A 83 5.676 7.047 0.527 1.00 0.00 O ATOM 1350 CB SER A 83 4.064 8.267 2.492 1.00 0.00 C ATOM 1351 OG SER A 83 5.438 8.233 2.861 1.00 0.00 O ATOM 0 H SER A 83 4.143 5.957 3.722 1.00 0.00 H new ATOM 0 HA SER A 83 2.814 7.052 1.215 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.886 9.075 1.783 1.00 0.00 H new ATOM 0 HB3 SER A 83 3.445 8.468 3.367 1.00 0.00 H new ATOM 0 HG SER A 83 5.989 8.106 2.060 1.00 0.00 H new ATOM 1357 N ASN A 84 4.809 5.043 0.851 1.00 0.00 N ATOM 1358 CA ASN A 84 5.845 4.343 0.028 1.00 0.00 C ATOM 1359 C ASN A 84 5.118 3.192 -0.669 1.00 0.00 C ATOM 1360 O ASN A 84 4.980 3.172 -1.877 1.00 0.00 O ATOM 1361 CB ASN A 84 6.884 3.820 1.023 1.00 0.00 C ATOM 1362 CG ASN A 84 7.781 4.975 1.482 1.00 0.00 C ATOM 1363 OD1 ASN A 84 7.699 5.405 2.615 1.00 0.00 O ATOM 1364 ND2 ASN A 84 8.643 5.505 0.647 1.00 0.00 N ATOM 0 H ASN A 84 4.106 4.424 1.255 1.00 0.00 H new ATOM 0 HA ASN A 84 6.334 4.970 -0.717 1.00 0.00 H new ATOM 0 HB2 ASN A 84 6.386 3.369 1.881 1.00 0.00 H new ATOM 0 HB3 ASN A 84 7.487 3.040 0.559 1.00 0.00 H new ATOM 0 HD21 ASN A 84 9.240 6.274 0.950 1.00 0.00 H new ATOM 0 HD22 ASN A 84 8.716 5.148 -0.306 1.00 0.00 H new ATOM 1371 N LEU A 85 4.556 2.281 0.112 1.00 0.00 N ATOM 1372 CA LEU A 85 3.729 1.191 -0.497 1.00 0.00 C ATOM 1373 C LEU A 85 2.596 1.850 -1.327 1.00 0.00 C ATOM 1374 O LEU A 85 2.134 1.282 -2.298 1.00 0.00 O ATOM 1375 CB LEU A 85 3.150 0.375 0.687 1.00 0.00 C ATOM 1376 CG LEU A 85 2.109 -0.637 0.190 1.00 0.00 C ATOM 1377 CD1 LEU A 85 2.797 -1.719 -0.644 1.00 0.00 C ATOM 1378 CD2 LEU A 85 1.418 -1.286 1.393 1.00 0.00 C ATOM 0 H LEU A 85 4.637 2.252 1.128 1.00 0.00 H new ATOM 0 HA LEU A 85 4.302 0.540 -1.157 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.955 -0.148 1.203 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.692 1.049 1.411 1.00 0.00 H new ATOM 0 HG LEU A 85 1.371 -0.123 -0.425 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.054 -2.435 -0.995 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.291 -1.259 -1.500 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.537 -2.234 -0.032 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.678 -2.005 1.043 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.160 -1.798 2.006 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.924 -0.517 1.987 1.00 0.00 H new ATOM 1390 N ILE A 86 2.152 3.058 -0.962 1.00 0.00 N ATOM 1391 CA ILE A 86 1.067 3.714 -1.769 1.00 0.00 C ATOM 1392 C ILE A 86 1.542 3.923 -3.220 1.00 0.00 C ATOM 1393 O ILE A 86 0.772 3.772 -4.150 1.00 0.00 O ATOM 1394 CB ILE A 86 0.746 5.067 -1.087 1.00 0.00 C ATOM 1395 CG1 ILE A 86 -0.479 5.697 -1.758 1.00 0.00 C ATOM 1396 CG2 ILE A 86 1.935 6.032 -1.200 1.00 0.00 C ATOM 1397 CD1 ILE A 86 -1.335 6.397 -0.703 1.00 0.00 C ATOM 0 H ILE A 86 2.491 3.593 -0.162 1.00 0.00 H new ATOM 0 HA ILE A 86 0.173 3.092 -1.808 1.00 0.00 H new ATOM 0 HB ILE A 86 0.544 4.883 -0.032 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.163 6.412 -2.518 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.064 4.930 -2.265 1.00 0.00 H new ATOM 0 HG21 ILE A 86 1.686 6.975 -0.714 1.00 0.00 H new ATOM 0 HG22 ILE A 86 2.807 5.593 -0.715 1.00 0.00 H new ATOM 0 HG23 ILE A 86 2.158 6.214 -2.251 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.206 6.845 -1.180 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.662 5.670 0.041 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.748 7.175 -0.216 1.00 0.00 H new ATOM 1409 N ASN A 87 2.803 4.262 -3.426 1.00 0.00 N ATOM 1410 CA ASN A 87 3.294 4.461 -4.837 1.00 0.00 C ATOM 1411 C ASN A 87 3.180 3.137 -5.605 1.00 0.00 C ATOM 1412 O ASN A 87 2.645 3.096 -6.695 1.00 0.00 O ATOM 1413 CB ASN A 87 4.766 4.898 -4.740 1.00 0.00 C ATOM 1414 CG ASN A 87 5.207 5.520 -6.070 1.00 0.00 C ATOM 1415 OD1 ASN A 87 4.387 6.004 -6.825 1.00 0.00 O ATOM 1416 ND2 ASN A 87 6.477 5.531 -6.397 1.00 0.00 N ATOM 0 H ASN A 87 3.499 4.407 -2.694 1.00 0.00 H new ATOM 0 HA ASN A 87 2.706 5.212 -5.364 1.00 0.00 H new ATOM 0 HB2 ASN A 87 4.889 5.619 -3.931 1.00 0.00 H new ATOM 0 HB3 ASN A 87 5.395 4.041 -4.502 1.00 0.00 H new ATOM 0 HD21 ASN A 87 6.772 5.944 -7.281 1.00 0.00 H new ATOM 0 HD22 ASN A 87 7.169 5.126 -5.767 1.00 0.00 H new ATOM 1423 N LEU A 88 3.673 2.048 -5.040 1.00 0.00 N ATOM 1424 CA LEU A 88 3.583 0.715 -5.748 1.00 0.00 C ATOM 1425 C LEU A 88 2.138 0.448 -6.197 1.00 0.00 C ATOM 1426 O LEU A 88 1.903 -0.003 -7.303 1.00 0.00 O ATOM 1427 CB LEU A 88 4.014 -0.351 -4.727 1.00 0.00 C ATOM 1428 CG LEU A 88 5.538 -0.503 -4.751 1.00 0.00 C ATOM 1429 CD1 LEU A 88 6.055 -0.714 -3.326 1.00 0.00 C ATOM 1430 CD2 LEU A 88 5.919 -1.711 -5.611 1.00 0.00 C ATOM 0 H LEU A 88 4.130 2.023 -4.128 1.00 0.00 H new ATOM 0 HA LEU A 88 4.217 0.700 -6.635 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.683 -0.067 -3.728 1.00 0.00 H new ATOM 0 HB3 LEU A 88 3.540 -1.304 -4.960 1.00 0.00 H new ATOM 0 HG LEU A 88 5.983 0.399 -5.171 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.139 -0.822 -3.345 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.786 0.145 -2.711 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.608 -1.615 -2.906 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.004 -1.818 -5.627 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.472 -2.612 -5.191 1.00 0.00 H new ATOM 0 HD23 LEU A 88 5.553 -1.564 -6.627 1.00 0.00 H new ATOM 1442 N LEU A 89 1.165 0.733 -5.352 1.00 0.00 N ATOM 1443 CA LEU A 89 -0.265 0.498 -5.764 1.00 0.00 C ATOM 1444 C LEU A 89 -0.601 1.357 -6.991 1.00 0.00 C ATOM 1445 O LEU A 89 -1.349 0.939 -7.855 1.00 0.00 O ATOM 1446 CB LEU A 89 -1.138 0.893 -4.568 1.00 0.00 C ATOM 1447 CG LEU A 89 -0.908 -0.111 -3.438 1.00 0.00 C ATOM 1448 CD1 LEU A 89 -1.516 0.431 -2.142 1.00 0.00 C ATOM 1449 CD2 LEU A 89 -1.568 -1.445 -3.804 1.00 0.00 C ATOM 0 H LEU A 89 1.295 1.111 -4.413 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.437 -0.543 -6.036 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -0.888 1.900 -4.235 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.189 0.904 -4.855 1.00 0.00 H new ATOM 0 HG LEU A 89 0.162 -0.264 -3.295 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.352 -0.285 -1.336 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.043 1.379 -1.887 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.586 0.585 -2.279 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.406 -2.164 -3.001 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.638 -1.295 -3.946 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.130 -1.827 -4.726 1.00 0.00 H new ATOM 1461 N ALA A 90 -0.040 2.545 -7.096 1.00 0.00 N ATOM 1462 CA ALA A 90 -0.319 3.390 -8.291 1.00 0.00 C ATOM 1463 C ALA A 90 0.941 3.486 -9.174 1.00 0.00 C ATOM 1464 O ALA A 90 1.134 4.467 -9.866 1.00 0.00 O ATOM 1465 CB ALA A 90 -0.697 4.764 -7.737 1.00 0.00 C ATOM 0 H ALA A 90 0.592 2.956 -6.409 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.114 2.977 -8.912 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.917 5.441 -8.562 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.577 4.670 -7.101 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.133 5.161 -7.152 1.00 0.00 H new ATOM 1471 N GLU A 91 1.805 2.479 -9.162 1.00 0.00 N ATOM 1472 CA GLU A 91 3.039 2.551 -10.014 1.00 0.00 C ATOM 1473 C GLU A 91 2.884 1.674 -11.267 1.00 0.00 C ATOM 1474 O GLU A 91 3.166 2.113 -12.367 1.00 0.00 O ATOM 1475 CB GLU A 91 4.189 2.030 -9.137 1.00 0.00 C ATOM 1476 CG GLU A 91 5.348 3.031 -9.154 1.00 0.00 C ATOM 1477 CD GLU A 91 6.423 2.584 -8.162 1.00 0.00 C ATOM 1478 OE1 GLU A 91 6.301 2.919 -6.995 1.00 0.00 O ATOM 1479 OE2 GLU A 91 7.351 1.915 -8.586 1.00 0.00 O ATOM 0 H GLU A 91 1.705 1.629 -8.607 1.00 0.00 H new ATOM 0 HA GLU A 91 3.225 3.569 -10.357 1.00 0.00 H new ATOM 0 HB2 GLU A 91 3.840 1.880 -8.115 1.00 0.00 H new ATOM 0 HB3 GLU A 91 4.528 1.061 -9.503 1.00 0.00 H new ATOM 0 HG2 GLU A 91 5.769 3.099 -10.157 1.00 0.00 H new ATOM 0 HG3 GLU A 91 4.987 4.026 -8.892 1.00 0.00 H new ATOM 1486 N ASN A 92 2.448 0.437 -11.119 1.00 0.00 N ATOM 1487 CA ASN A 92 2.295 -0.444 -12.321 1.00 0.00 C ATOM 1488 C ASN A 92 0.815 -0.762 -12.600 1.00 0.00 C ATOM 1489 O ASN A 92 0.503 -1.813 -13.128 1.00 0.00 O ATOM 1490 CB ASN A 92 3.057 -1.724 -11.975 1.00 0.00 C ATOM 1491 CG ASN A 92 4.566 -1.446 -11.999 1.00 0.00 C ATOM 1492 OD1 ASN A 92 5.051 -0.769 -12.884 1.00 0.00 O ATOM 1493 ND2 ASN A 92 5.337 -1.940 -11.062 1.00 0.00 N ATOM 0 H ASN A 92 2.196 0.009 -10.228 1.00 0.00 H new ATOM 0 HA ASN A 92 2.678 0.039 -13.220 1.00 0.00 H new ATOM 0 HB2 ASN A 92 2.758 -2.082 -10.990 1.00 0.00 H new ATOM 0 HB3 ASN A 92 2.810 -2.510 -12.688 1.00 0.00 H new ATOM 0 HD21 ASN A 92 6.340 -1.756 -11.077 1.00 0.00 H new ATOM 0 HD22 ASN A 92 4.934 -2.509 -10.317 1.00 0.00 H new ATOM 1500 N GLY A 93 -0.102 0.124 -12.258 1.00 0.00 N ATOM 1501 CA GLY A 93 -1.541 -0.156 -12.517 1.00 0.00 C ATOM 1502 C GLY A 93 -2.056 -1.134 -11.460 1.00 0.00 C ATOM 1503 O GLY A 93 -2.740 -2.090 -11.779 1.00 0.00 O ATOM 0 H GLY A 93 0.093 1.021 -11.814 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.116 0.769 -12.486 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.669 -0.577 -13.514 1.00 0.00 H new ATOM 1507 N ARG A 94 -1.739 -0.908 -10.200 1.00 0.00 N ATOM 1508 CA ARG A 94 -2.226 -1.840 -9.140 1.00 0.00 C ATOM 1509 C ARG A 94 -3.406 -1.216 -8.375 1.00 0.00 C ATOM 1510 O ARG A 94 -3.540 -1.406 -7.180 1.00 0.00 O ATOM 1511 CB ARG A 94 -1.031 -2.084 -8.209 1.00 0.00 C ATOM 1512 CG ARG A 94 0.041 -2.881 -8.956 1.00 0.00 C ATOM 1513 CD ARG A 94 -0.438 -4.322 -9.164 1.00 0.00 C ATOM 1514 NE ARG A 94 -0.090 -4.643 -10.577 1.00 0.00 N ATOM 1515 CZ ARG A 94 0.769 -5.589 -10.839 1.00 0.00 C ATOM 1516 NH1 ARG A 94 0.610 -6.778 -10.324 1.00 0.00 N ATOM 1517 NH2 ARG A 94 1.788 -5.348 -11.619 1.00 0.00 N ATOM 0 H ARG A 94 -1.171 -0.127 -9.870 1.00 0.00 H new ATOM 0 HA ARG A 94 -2.589 -2.776 -9.564 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -0.621 -1.133 -7.868 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -1.353 -2.629 -7.322 1.00 0.00 H new ATOM 0 HG2 ARG A 94 0.250 -2.414 -9.919 1.00 0.00 H new ATOM 0 HG3 ARG A 94 0.973 -2.875 -8.390 1.00 0.00 H new ATOM 0 HD2 ARG A 94 0.053 -5.005 -8.471 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -1.511 -4.410 -8.992 1.00 0.00 H new ATOM 0 HE ARG A 94 -0.524 -4.123 -11.340 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -0.187 -6.968 -9.716 1.00 0.00 H new ATOM 0 HH12 ARG A 94 1.282 -7.517 -10.530 1.00 0.00 H new ATOM 0 HH21 ARG A 94 1.912 -4.420 -12.023 1.00 0.00 H new ATOM 0 HH22 ARG A 94 2.460 -6.088 -11.824 1.00 0.00 H new ATOM 1531 N LEU A 95 -4.284 -0.500 -9.056 1.00 0.00 N ATOM 1532 CA LEU A 95 -5.468 0.097 -8.360 1.00 0.00 C ATOM 1533 C LEU A 95 -6.706 -0.743 -8.708 1.00 0.00 C ATOM 1534 O LEU A 95 -7.724 -0.236 -9.134 1.00 0.00 O ATOM 1535 CB LEU A 95 -5.595 1.530 -8.884 1.00 0.00 C ATOM 1536 CG LEU A 95 -4.536 2.415 -8.219 1.00 0.00 C ATOM 1537 CD1 LEU A 95 -4.574 3.812 -8.838 1.00 0.00 C ATOM 1538 CD2 LEU A 95 -4.823 2.519 -6.717 1.00 0.00 C ATOM 0 H LEU A 95 -4.227 -0.308 -10.056 1.00 0.00 H new ATOM 0 HA LEU A 95 -5.365 0.107 -7.275 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -5.469 1.545 -9.967 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -6.592 1.918 -8.674 1.00 0.00 H new ATOM 0 HG LEU A 95 -3.551 1.974 -8.373 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.820 4.441 -8.364 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.369 3.742 -9.906 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.560 4.251 -8.686 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.069 3.149 -6.245 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.809 2.958 -6.565 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.795 1.525 -6.272 1.00 0.00 H new ATOM 1550 N THR A 96 -6.607 -2.036 -8.513 1.00 0.00 N ATOM 1551 CA THR A 96 -7.745 -2.961 -8.804 1.00 0.00 C ATOM 1552 C THR A 96 -7.884 -3.922 -7.616 1.00 0.00 C ATOM 1553 O THR A 96 -8.910 -3.969 -6.966 1.00 0.00 O ATOM 1554 CB THR A 96 -7.340 -3.714 -10.072 1.00 0.00 C ATOM 1555 OG1 THR A 96 -5.964 -4.062 -9.996 1.00 0.00 O ATOM 1556 CG2 THR A 96 -7.578 -2.826 -11.294 1.00 0.00 C ATOM 0 H THR A 96 -5.769 -2.496 -8.158 1.00 0.00 H new ATOM 0 HA THR A 96 -8.698 -2.452 -8.946 1.00 0.00 H new ATOM 0 HB THR A 96 -7.939 -4.620 -10.163 1.00 0.00 H new ATOM 0 HG1 THR A 96 -5.704 -4.546 -10.807 1.00 0.00 H new ATOM 0 HG21 THR A 96 -7.289 -3.364 -12.197 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.634 -2.562 -11.352 1.00 0.00 H new ATOM 0 HG23 THR A 96 -6.981 -1.918 -11.206 1.00 0.00 H new ATOM 1564 N ASN A 97 -6.823 -4.641 -7.284 1.00 0.00 N ATOM 1565 CA ASN A 97 -6.870 -5.537 -6.089 1.00 0.00 C ATOM 1566 C ASN A 97 -6.283 -4.797 -4.856 1.00 0.00 C ATOM 1567 O ASN A 97 -5.961 -5.420 -3.864 1.00 0.00 O ATOM 1568 CB ASN A 97 -6.001 -6.751 -6.444 1.00 0.00 C ATOM 1569 CG ASN A 97 -6.715 -7.597 -7.506 1.00 0.00 C ATOM 1570 OD1 ASN A 97 -7.483 -8.478 -7.175 1.00 0.00 O ATOM 1571 ND2 ASN A 97 -6.497 -7.369 -8.778 1.00 0.00 N ATOM 0 H ASN A 97 -5.938 -4.640 -7.791 1.00 0.00 H new ATOM 0 HA ASN A 97 -7.889 -5.835 -5.841 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.032 -6.421 -6.818 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -5.812 -7.350 -5.553 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -6.971 -7.930 -9.485 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -5.853 -6.630 -9.061 1.00 0.00 H new ATOM 1578 N THR A 98 -6.138 -3.471 -4.910 1.00 0.00 N ATOM 1579 CA THR A 98 -5.572 -2.703 -3.742 1.00 0.00 C ATOM 1580 C THR A 98 -6.180 -3.149 -2.396 1.00 0.00 C ATOM 1581 O THR A 98 -5.443 -3.420 -1.469 1.00 0.00 O ATOM 1582 CB THR A 98 -5.901 -1.219 -4.009 1.00 0.00 C ATOM 1583 OG1 THR A 98 -6.320 -1.060 -5.359 1.00 0.00 O ATOM 1584 CG2 THR A 98 -4.660 -0.364 -3.763 1.00 0.00 C ATOM 0 H THR A 98 -6.390 -2.898 -5.715 1.00 0.00 H new ATOM 0 HA THR A 98 -4.500 -2.881 -3.660 1.00 0.00 H new ATOM 0 HB THR A 98 -6.699 -0.903 -3.338 1.00 0.00 H new ATOM 0 HG1 THR A 98 -6.681 -0.158 -5.485 1.00 0.00 H new ATOM 0 HG21 THR A 98 -4.896 0.683 -3.953 1.00 0.00 H new ATOM 0 HG22 THR A 98 -4.336 -0.482 -2.729 1.00 0.00 H new ATOM 0 HG23 THR A 98 -3.860 -0.682 -4.432 1.00 0.00 H new ATOM 1592 N PRO A 99 -7.496 -3.220 -2.309 1.00 0.00 N ATOM 1593 CA PRO A 99 -8.131 -3.646 -1.034 1.00 0.00 C ATOM 1594 C PRO A 99 -7.737 -5.095 -0.707 1.00 0.00 C ATOM 1595 O PRO A 99 -7.483 -5.421 0.438 1.00 0.00 O ATOM 1596 CB PRO A 99 -9.627 -3.495 -1.300 1.00 0.00 C ATOM 1597 CG PRO A 99 -9.755 -3.568 -2.784 1.00 0.00 C ATOM 1598 CD PRO A 99 -8.508 -2.936 -3.343 1.00 0.00 C ATOM 0 HA PRO A 99 -7.819 -3.058 -0.171 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -10.198 -4.286 -0.814 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -10.004 -2.547 -0.916 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -9.850 -4.602 -3.116 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -10.646 -3.040 -3.125 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -8.233 -3.369 -4.305 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -8.635 -1.865 -3.500 1.00 0.00 H new ATOM 1606 N ALA A 100 -7.651 -5.963 -1.698 1.00 0.00 N ATOM 1607 CA ALA A 100 -7.229 -7.381 -1.405 1.00 0.00 C ATOM 1608 C ALA A 100 -5.820 -7.387 -0.777 1.00 0.00 C ATOM 1609 O ALA A 100 -5.507 -8.240 0.034 1.00 0.00 O ATOM 1610 CB ALA A 100 -7.211 -8.127 -2.749 1.00 0.00 C ATOM 0 H ALA A 100 -7.850 -5.758 -2.677 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.913 -7.859 -0.704 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.910 -9.162 -2.587 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.207 -8.104 -3.191 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -6.503 -7.645 -3.423 1.00 0.00 H new ATOM 1616 N VAL A 101 -4.963 -6.443 -1.136 1.00 0.00 N ATOM 1617 CA VAL A 101 -3.577 -6.417 -0.536 1.00 0.00 C ATOM 1618 C VAL A 101 -3.676 -6.289 0.996 1.00 0.00 C ATOM 1619 O VAL A 101 -2.963 -6.956 1.723 1.00 0.00 O ATOM 1620 CB VAL A 101 -2.858 -5.182 -1.125 1.00 0.00 C ATOM 1621 CG1 VAL A 101 -1.449 -5.056 -0.526 1.00 0.00 C ATOM 1622 CG2 VAL A 101 -2.753 -5.322 -2.650 1.00 0.00 C ATOM 0 H VAL A 101 -5.160 -5.701 -1.808 1.00 0.00 H new ATOM 0 HA VAL A 101 -3.030 -7.332 -0.765 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.433 -4.289 -0.879 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -0.951 -4.183 -0.948 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.522 -4.945 0.556 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.873 -5.951 -0.761 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -2.246 -4.449 -3.061 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.186 -6.220 -2.895 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -3.753 -5.396 -3.078 1.00 0.00 H new ATOM 1632 N ILE A 102 -4.552 -5.435 1.492 1.00 0.00 N ATOM 1633 CA ILE A 102 -4.676 -5.278 2.988 1.00 0.00 C ATOM 1634 C ILE A 102 -5.079 -6.618 3.645 1.00 0.00 C ATOM 1635 O ILE A 102 -4.685 -6.895 4.762 1.00 0.00 O ATOM 1636 CB ILE A 102 -5.762 -4.204 3.231 1.00 0.00 C ATOM 1637 CG1 ILE A 102 -5.283 -2.848 2.674 1.00 0.00 C ATOM 1638 CG2 ILE A 102 -6.037 -4.064 4.736 1.00 0.00 C ATOM 1639 CD1 ILE A 102 -6.215 -2.386 1.553 1.00 0.00 C ATOM 0 H ILE A 102 -5.176 -4.849 0.938 1.00 0.00 H new ATOM 0 HA ILE A 102 -3.725 -4.980 3.430 1.00 0.00 H new ATOM 0 HB ILE A 102 -6.678 -4.507 2.724 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -5.262 -2.105 3.471 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -4.264 -2.939 2.297 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -6.803 -3.305 4.897 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -6.382 -5.019 5.133 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -5.121 -3.769 5.247 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -5.870 -1.428 1.165 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -6.213 -3.124 0.751 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -7.227 -2.276 1.943 1.00 0.00 H new ATOM 1651 N SER A 103 -5.860 -7.450 2.975 1.00 0.00 N ATOM 1652 CA SER A 103 -6.268 -8.761 3.608 1.00 0.00 C ATOM 1653 C SER A 103 -5.021 -9.571 3.980 1.00 0.00 C ATOM 1654 O SER A 103 -4.913 -10.073 5.084 1.00 0.00 O ATOM 1655 CB SER A 103 -7.103 -9.520 2.567 1.00 0.00 C ATOM 1656 OG SER A 103 -8.287 -8.785 2.285 1.00 0.00 O ATOM 0 H SER A 103 -6.226 -7.284 2.037 1.00 0.00 H new ATOM 0 HA SER A 103 -6.843 -8.595 4.519 1.00 0.00 H new ATOM 0 HB2 SER A 103 -6.524 -9.663 1.654 1.00 0.00 H new ATOM 0 HB3 SER A 103 -7.358 -10.511 2.941 1.00 0.00 H new ATOM 0 HG SER A 103 -8.821 -9.267 1.619 1.00 0.00 H new ATOM 1662 N ALA A 104 -4.065 -9.688 3.080 1.00 0.00 N ATOM 1663 CA ALA A 104 -2.813 -10.457 3.424 1.00 0.00 C ATOM 1664 C ALA A 104 -2.133 -9.819 4.654 1.00 0.00 C ATOM 1665 O ALA A 104 -1.532 -10.507 5.457 1.00 0.00 O ATOM 1666 CB ALA A 104 -1.886 -10.367 2.202 1.00 0.00 C ATOM 0 H ALA A 104 -4.093 -9.294 2.140 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.040 -11.496 3.664 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -0.963 -10.911 2.404 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -2.382 -10.804 1.336 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -1.654 -9.322 1.998 1.00 0.00 H new ATOM 1672 N PHE A 105 -2.228 -8.510 4.809 1.00 0.00 N ATOM 1673 CA PHE A 105 -1.587 -7.841 5.999 1.00 0.00 C ATOM 1674 C PHE A 105 -2.142 -8.429 7.298 1.00 0.00 C ATOM 1675 O PHE A 105 -1.395 -8.733 8.211 1.00 0.00 O ATOM 1676 CB PHE A 105 -1.966 -6.354 5.907 1.00 0.00 C ATOM 1677 CG PHE A 105 -0.975 -5.512 6.670 1.00 0.00 C ATOM 1678 CD1 PHE A 105 -1.073 -5.389 8.060 1.00 0.00 C ATOM 1679 CD2 PHE A 105 0.035 -4.845 5.981 1.00 0.00 C ATOM 1680 CE1 PHE A 105 -0.153 -4.598 8.752 1.00 0.00 C ATOM 1681 CE2 PHE A 105 0.952 -4.057 6.672 1.00 0.00 C ATOM 1682 CZ PHE A 105 0.861 -3.934 8.058 1.00 0.00 C ATOM 0 H PHE A 105 -2.716 -7.883 4.170 1.00 0.00 H new ATOM 0 HA PHE A 105 -0.507 -7.987 5.999 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -1.990 -6.042 4.863 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.968 -6.202 6.309 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -1.857 -5.904 8.596 1.00 0.00 H new ATOM 0 HD2 PHE A 105 0.107 -4.939 4.908 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -0.226 -4.500 9.825 1.00 0.00 H new ATOM 0 HE2 PHE A 105 1.734 -3.541 6.134 1.00 0.00 H new ATOM 0 HZ PHE A 105 1.574 -3.326 8.594 1.00 0.00 H new ATOM 1692 N SER A 106 -3.444 -8.588 7.397 1.00 0.00 N ATOM 1693 CA SER A 106 -4.020 -9.159 8.664 1.00 0.00 C ATOM 1694 C SER A 106 -3.629 -10.637 8.818 1.00 0.00 C ATOM 1695 O SER A 106 -3.484 -11.120 9.926 1.00 0.00 O ATOM 1696 CB SER A 106 -5.545 -9.018 8.565 1.00 0.00 C ATOM 1697 OG SER A 106 -5.877 -7.654 8.337 1.00 0.00 O ATOM 0 H SER A 106 -4.122 -8.353 6.672 1.00 0.00 H new ATOM 0 HA SER A 106 -3.635 -8.629 9.535 1.00 0.00 H new ATOM 0 HB2 SER A 106 -5.927 -9.638 7.754 1.00 0.00 H new ATOM 0 HB3 SER A 106 -6.015 -9.370 9.483 1.00 0.00 H new ATOM 0 HG SER A 106 -6.850 -7.561 8.272 1.00 0.00 H new ATOM 1703 N THR A 107 -3.453 -11.368 7.730 1.00 0.00 N ATOM 1704 CA THR A 107 -3.068 -12.813 7.875 1.00 0.00 C ATOM 1705 C THR A 107 -1.584 -12.929 8.223 1.00 0.00 C ATOM 1706 O THR A 107 -1.215 -13.752 9.043 1.00 0.00 O ATOM 1707 CB THR A 107 -3.370 -13.498 6.533 1.00 0.00 C ATOM 1708 OG1 THR A 107 -4.292 -12.706 5.796 1.00 0.00 O ATOM 1709 CG2 THR A 107 -3.974 -14.880 6.789 1.00 0.00 C ATOM 0 H THR A 107 -3.557 -11.033 6.772 1.00 0.00 H new ATOM 0 HA THR A 107 -3.629 -13.290 8.679 1.00 0.00 H new ATOM 0 HB THR A 107 -2.447 -13.607 5.964 1.00 0.00 H new ATOM 0 HG1 THR A 107 -4.484 -13.141 4.939 1.00 0.00 H new ATOM 0 HG21 THR A 107 -4.188 -15.366 5.837 1.00 0.00 H new ATOM 0 HG22 THR A 107 -3.267 -15.487 7.355 1.00 0.00 H new ATOM 0 HG23 THR A 107 -4.898 -14.774 7.358 1.00 0.00 H new ATOM 1717 N MET A 108 -0.728 -12.104 7.652 1.00 0.00 N ATOM 1718 CA MET A 108 0.718 -12.203 8.036 1.00 0.00 C ATOM 1719 C MET A 108 0.919 -11.494 9.375 1.00 0.00 C ATOM 1720 O MET A 108 1.711 -11.929 10.189 1.00 0.00 O ATOM 1721 CB MET A 108 1.542 -11.519 6.947 1.00 0.00 C ATOM 1722 CG MET A 108 3.031 -11.808 7.198 1.00 0.00 C ATOM 1723 SD MET A 108 3.578 -13.173 6.139 1.00 0.00 S ATOM 1724 CE MET A 108 5.339 -12.756 6.124 1.00 0.00 C ATOM 0 H MET A 108 -0.960 -11.391 6.961 1.00 0.00 H new ATOM 0 HA MET A 108 1.030 -13.243 8.135 1.00 0.00 H new ATOM 0 HB2 MET A 108 1.247 -11.886 5.964 1.00 0.00 H new ATOM 0 HB3 MET A 108 1.360 -10.444 6.954 1.00 0.00 H new ATOM 0 HG2 MET A 108 3.624 -10.916 6.993 1.00 0.00 H new ATOM 0 HG3 MET A 108 3.190 -12.062 8.246 1.00 0.00 H new ATOM 0 HE1 MET A 108 5.911 -13.606 5.753 1.00 0.00 H new ATOM 0 HE2 MET A 108 5.504 -11.896 5.475 1.00 0.00 H new ATOM 0 HE3 MET A 108 5.664 -12.514 7.136 1.00 0.00 H new ATOM 1734 N MET A 109 0.192 -10.413 9.635 1.00 0.00 N ATOM 1735 CA MET A 109 0.356 -9.719 10.956 1.00 0.00 C ATOM 1736 C MET A 109 0.094 -10.733 12.083 1.00 0.00 C ATOM 1737 O MET A 109 0.795 -10.753 13.067 1.00 0.00 O ATOM 1738 CB MET A 109 -0.684 -8.583 11.001 1.00 0.00 C ATOM 1739 CG MET A 109 -0.590 -7.846 12.341 1.00 0.00 C ATOM 1740 SD MET A 109 -1.750 -6.457 12.348 1.00 0.00 S ATOM 1741 CE MET A 109 -2.904 -7.132 13.568 1.00 0.00 C ATOM 0 H MET A 109 -0.490 -9.996 9.001 1.00 0.00 H new ATOM 0 HA MET A 109 1.361 -9.315 11.080 1.00 0.00 H new ATOM 0 HB2 MET A 109 -0.512 -7.887 10.180 1.00 0.00 H new ATOM 0 HB3 MET A 109 -1.687 -8.990 10.869 1.00 0.00 H new ATOM 0 HG2 MET A 109 -0.818 -8.528 13.160 1.00 0.00 H new ATOM 0 HG3 MET A 109 0.426 -7.486 12.500 1.00 0.00 H new ATOM 0 HE1 MET A 109 -3.717 -6.425 13.730 1.00 0.00 H new ATOM 0 HE2 MET A 109 -3.311 -8.075 13.202 1.00 0.00 H new ATOM 0 HE3 MET A 109 -2.380 -7.304 14.508 1.00 0.00 H new ATOM 1751 N SER A 110 -0.886 -11.610 11.938 1.00 0.00 N ATOM 1752 CA SER A 110 -1.112 -12.628 13.031 1.00 0.00 C ATOM 1753 C SER A 110 0.153 -13.487 13.211 1.00 0.00 C ATOM 1754 O SER A 110 0.465 -13.900 14.313 1.00 0.00 O ATOM 1755 CB SER A 110 -2.298 -13.501 12.595 1.00 0.00 C ATOM 1756 OG SER A 110 -3.497 -12.742 12.682 1.00 0.00 O ATOM 0 H SER A 110 -1.519 -11.666 11.140 1.00 0.00 H new ATOM 0 HA SER A 110 -1.325 -12.144 13.984 1.00 0.00 H new ATOM 0 HB2 SER A 110 -2.150 -13.852 11.574 1.00 0.00 H new ATOM 0 HB3 SER A 110 -2.367 -14.385 13.229 1.00 0.00 H new ATOM 0 HG SER A 110 -3.605 -12.207 11.868 1.00 0.00 H new ATOM 1762 N VAL A 111 0.900 -13.743 12.151 1.00 0.00 N ATOM 1763 CA VAL A 111 2.155 -14.559 12.307 1.00 0.00 C ATOM 1764 C VAL A 111 3.298 -13.713 12.921 1.00 0.00 C ATOM 1765 O VAL A 111 4.329 -14.255 13.274 1.00 0.00 O ATOM 1766 CB VAL A 111 2.545 -15.042 10.899 1.00 0.00 C ATOM 1767 CG1 VAL A 111 3.795 -15.922 10.982 1.00 0.00 C ATOM 1768 CG2 VAL A 111 1.394 -15.857 10.299 1.00 0.00 C ATOM 0 H VAL A 111 0.698 -13.428 11.202 1.00 0.00 H new ATOM 0 HA VAL A 111 1.984 -15.398 12.981 1.00 0.00 H new ATOM 0 HB VAL A 111 2.750 -14.177 10.268 1.00 0.00 H new ATOM 0 HG11 VAL A 111 4.068 -16.262 9.983 1.00 0.00 H new ATOM 0 HG12 VAL A 111 4.618 -15.347 11.407 1.00 0.00 H new ATOM 0 HG13 VAL A 111 3.591 -16.785 11.616 1.00 0.00 H new ATOM 0 HG21 VAL A 111 1.671 -16.199 9.302 1.00 0.00 H new ATOM 0 HG22 VAL A 111 1.189 -16.719 10.934 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.502 -15.234 10.234 1.00 0.00 H new ATOM 1778 N HIS A 112 3.139 -12.404 13.072 1.00 0.00 N ATOM 1779 CA HIS A 112 4.230 -11.589 13.680 1.00 0.00 C ATOM 1780 C HIS A 112 4.073 -11.565 15.226 1.00 0.00 C ATOM 1781 O HIS A 112 5.039 -11.367 15.939 1.00 0.00 O ATOM 1782 CB HIS A 112 4.103 -10.186 13.018 1.00 0.00 C ATOM 1783 CG HIS A 112 3.504 -9.161 13.949 1.00 0.00 C ATOM 1784 ND1 HIS A 112 2.206 -9.229 14.414 1.00 0.00 N ATOM 1785 CD2 HIS A 112 4.043 -8.056 14.515 1.00 0.00 C ATOM 1786 CE1 HIS A 112 2.012 -8.186 15.232 1.00 0.00 C ATOM 1787 NE2 HIS A 112 3.107 -7.432 15.333 1.00 0.00 N ATOM 0 H HIS A 112 2.306 -11.882 12.800 1.00 0.00 H new ATOM 0 HA HIS A 112 5.227 -11.993 13.504 1.00 0.00 H new ATOM 0 HB2 HIS A 112 5.088 -9.849 12.697 1.00 0.00 H new ATOM 0 HB3 HIS A 112 3.486 -10.264 12.123 1.00 0.00 H new ATOM 0 HD1 HIS A 112 1.519 -9.944 14.177 1.00 0.00 H new ATOM 0 HD2 HIS A 112 5.053 -7.709 14.355 1.00 0.00 H new ATOM 0 HE1 HIS A 112 1.084 -7.981 15.746 1.00 0.00 H new ATOM 1795 N ARG A 113 2.868 -11.761 15.747 1.00 0.00 N ATOM 1796 CA ARG A 113 2.693 -11.740 17.239 1.00 0.00 C ATOM 1797 C ARG A 113 2.770 -13.165 17.825 1.00 0.00 C ATOM 1798 O ARG A 113 3.188 -13.344 18.952 1.00 0.00 O ATOM 1799 CB ARG A 113 1.302 -11.133 17.490 1.00 0.00 C ATOM 1800 CG ARG A 113 1.396 -10.052 18.572 1.00 0.00 C ATOM 1801 CD ARG A 113 0.146 -9.170 18.524 1.00 0.00 C ATOM 1802 NE ARG A 113 -0.768 -9.744 19.549 1.00 0.00 N ATOM 1803 CZ ARG A 113 -1.127 -9.026 20.577 1.00 0.00 C ATOM 1804 NH1 ARG A 113 -1.718 -7.877 20.398 1.00 0.00 N ATOM 1805 NH2 ARG A 113 -0.894 -9.458 21.787 1.00 0.00 N ATOM 0 H ARG A 113 2.018 -11.931 15.209 1.00 0.00 H new ATOM 0 HA ARG A 113 3.481 -11.160 17.720 1.00 0.00 H new ATOM 0 HB2 ARG A 113 0.910 -10.704 16.568 1.00 0.00 H new ATOM 0 HB3 ARG A 113 0.606 -11.912 17.801 1.00 0.00 H new ATOM 0 HG2 ARG A 113 1.490 -10.514 19.555 1.00 0.00 H new ATOM 0 HG3 ARG A 113 2.288 -9.445 18.418 1.00 0.00 H new ATOM 0 HD2 ARG A 113 0.387 -8.131 18.747 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -0.311 -9.186 17.534 1.00 0.00 H new ATOM 0 HE ARG A 113 -1.113 -10.698 19.448 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -1.900 -7.539 19.453 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -1.998 -7.317 21.203 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -0.432 -10.356 21.928 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -1.174 -8.897 22.592 1.00 0.00 H new ATOM 1819 N GLY A 114 2.367 -14.183 17.081 1.00 0.00 N ATOM 1820 CA GLY A 114 2.420 -15.581 17.619 1.00 0.00 C ATOM 1821 C GLY A 114 3.834 -15.909 18.129 1.00 0.00 C ATOM 1822 O GLY A 114 4.061 -15.970 19.323 1.00 0.00 O ATOM 0 H GLY A 114 2.007 -14.100 16.130 1.00 0.00 H new ATOM 0 HA2 GLY A 114 1.700 -15.693 18.429 1.00 0.00 H new ATOM 0 HA3 GLY A 114 2.135 -16.288 16.840 1.00 0.00 H new ATOM 2000 N GLU B 7 8.598 -8.388 -7.129 1.00 0.00 N ATOM 2001 CA GLU B 7 8.445 -8.012 -5.685 1.00 0.00 C ATOM 2002 C GLU B 7 9.255 -6.744 -5.393 1.00 0.00 C ATOM 2003 O GLU B 7 10.038 -6.702 -4.462 1.00 0.00 O ATOM 2004 CB GLU B 7 8.974 -9.202 -4.873 1.00 0.00 C ATOM 2005 CG GLU B 7 8.080 -9.431 -3.653 1.00 0.00 C ATOM 2006 CD GLU B 7 8.357 -10.816 -3.067 1.00 0.00 C ATOM 2007 OE1 GLU B 7 9.517 -11.118 -2.835 1.00 0.00 O ATOM 2008 OE2 GLU B 7 7.407 -11.551 -2.859 1.00 0.00 O ATOM 0 HA GLU B 7 7.407 -7.801 -5.426 1.00 0.00 H new ATOM 0 HB2 GLU B 7 8.995 -10.098 -5.494 1.00 0.00 H new ATOM 0 HB3 GLU B 7 9.999 -9.011 -4.554 1.00 0.00 H new ATOM 0 HG2 GLU B 7 8.268 -8.663 -2.902 1.00 0.00 H new ATOM 0 HG3 GLU B 7 7.031 -9.349 -3.938 1.00 0.00 H new ATOM 2015 N VAL B 8 9.071 -5.701 -6.182 1.00 0.00 N ATOM 2016 CA VAL B 8 9.841 -4.427 -5.929 1.00 0.00 C ATOM 2017 C VAL B 8 9.553 -3.930 -4.501 1.00 0.00 C ATOM 2018 O VAL B 8 10.447 -3.475 -3.811 1.00 0.00 O ATOM 2019 CB VAL B 8 9.358 -3.399 -6.970 1.00 0.00 C ATOM 2020 CG1 VAL B 8 10.063 -2.058 -6.742 1.00 0.00 C ATOM 2021 CG2 VAL B 8 9.683 -3.910 -8.380 1.00 0.00 C ATOM 0 H VAL B 8 8.433 -5.675 -6.977 1.00 0.00 H new ATOM 0 HA VAL B 8 10.916 -4.583 -6.019 1.00 0.00 H new ATOM 0 HB VAL B 8 8.282 -3.263 -6.867 1.00 0.00 H new ATOM 0 HG11 VAL B 8 9.718 -1.335 -7.481 1.00 0.00 H new ATOM 0 HG12 VAL B 8 9.834 -1.692 -5.741 1.00 0.00 H new ATOM 0 HG13 VAL B 8 11.140 -2.192 -6.841 1.00 0.00 H new ATOM 0 HG21 VAL B 8 9.342 -3.184 -9.118 1.00 0.00 H new ATOM 0 HG22 VAL B 8 10.760 -4.048 -8.478 1.00 0.00 H new ATOM 0 HG23 VAL B 8 9.178 -4.862 -8.547 1.00 0.00 H new ATOM 2031 N SER B 9 8.319 -4.030 -4.041 1.00 0.00 N ATOM 2032 CA SER B 9 8.009 -3.573 -2.639 1.00 0.00 C ATOM 2033 C SER B 9 8.889 -4.338 -1.633 1.00 0.00 C ATOM 2034 O SER B 9 9.301 -3.787 -0.629 1.00 0.00 O ATOM 2035 CB SER B 9 6.526 -3.884 -2.386 1.00 0.00 C ATOM 2036 OG SER B 9 6.315 -5.285 -2.497 1.00 0.00 O ATOM 0 H SER B 9 7.527 -4.401 -4.565 1.00 0.00 H new ATOM 0 HA SER B 9 8.209 -2.508 -2.520 1.00 0.00 H new ATOM 0 HB2 SER B 9 6.234 -3.538 -1.395 1.00 0.00 H new ATOM 0 HB3 SER B 9 5.903 -3.353 -3.105 1.00 0.00 H new ATOM 0 HG SER B 9 5.568 -5.456 -3.107 1.00 0.00 H new ATOM 2042 N SER B 10 9.191 -5.600 -1.894 1.00 0.00 N ATOM 2043 CA SER B 10 10.060 -6.366 -0.932 1.00 0.00 C ATOM 2044 C SER B 10 11.467 -5.758 -0.913 1.00 0.00 C ATOM 2045 O SER B 10 11.966 -5.383 0.133 1.00 0.00 O ATOM 2046 CB SER B 10 10.116 -7.812 -1.441 1.00 0.00 C ATOM 2047 OG SER B 10 11.224 -8.478 -0.848 1.00 0.00 O ATOM 0 H SER B 10 8.879 -6.120 -2.714 1.00 0.00 H new ATOM 0 HA SER B 10 9.661 -6.327 0.082 1.00 0.00 H new ATOM 0 HB2 SER B 10 9.190 -8.332 -1.195 1.00 0.00 H new ATOM 0 HB3 SER B 10 10.209 -7.824 -2.527 1.00 0.00 H new ATOM 0 HG SER B 10 11.261 -9.403 -1.171 1.00 0.00 H new ATOM 2053 N ILE B 11 12.112 -5.641 -2.058 1.00 0.00 N ATOM 2054 CA ILE B 11 13.493 -5.034 -2.068 1.00 0.00 C ATOM 2055 C ILE B 11 13.429 -3.586 -1.546 1.00 0.00 C ATOM 2056 O ILE B 11 14.345 -3.126 -0.890 1.00 0.00 O ATOM 2057 CB ILE B 11 14.015 -5.077 -3.523 1.00 0.00 C ATOM 2058 CG1 ILE B 11 13.129 -4.221 -4.438 1.00 0.00 C ATOM 2059 CG2 ILE B 11 14.023 -6.527 -4.029 1.00 0.00 C ATOM 2060 CD1 ILE B 11 13.791 -4.092 -5.811 1.00 0.00 C ATOM 0 H ILE B 11 11.753 -5.932 -2.967 1.00 0.00 H new ATOM 0 HA ILE B 11 14.169 -5.590 -1.418 1.00 0.00 H new ATOM 0 HB ILE B 11 15.029 -4.677 -3.540 1.00 0.00 H new ATOM 0 HG12 ILE B 11 12.144 -4.677 -4.538 1.00 0.00 H new ATOM 0 HG13 ILE B 11 12.981 -3.234 -3.999 1.00 0.00 H new ATOM 0 HG21 ILE B 11 14.391 -6.552 -5.055 1.00 0.00 H new ATOM 0 HG22 ILE B 11 14.673 -7.130 -3.395 1.00 0.00 H new ATOM 0 HG23 ILE B 11 13.010 -6.929 -3.997 1.00 0.00 H new ATOM 0 HD11 ILE B 11 13.163 -3.484 -6.462 1.00 0.00 H new ATOM 0 HD12 ILE B 11 14.766 -3.618 -5.702 1.00 0.00 H new ATOM 0 HD13 ILE B 11 13.916 -5.082 -6.249 1.00 0.00 H new ATOM 2072 N LEU B 12 12.353 -2.864 -1.815 1.00 0.00 N ATOM 2073 CA LEU B 12 12.260 -1.451 -1.301 1.00 0.00 C ATOM 2074 C LEU B 12 12.258 -1.451 0.237 1.00 0.00 C ATOM 2075 O LEU B 12 12.811 -0.559 0.854 1.00 0.00 O ATOM 2076 CB LEU B 12 10.940 -0.869 -1.831 1.00 0.00 C ATOM 2077 CG LEU B 12 11.079 0.645 -1.994 1.00 0.00 C ATOM 2078 CD1 LEU B 12 11.638 0.961 -3.383 1.00 0.00 C ATOM 2079 CD2 LEU B 12 9.704 1.301 -1.839 1.00 0.00 C ATOM 0 H LEU B 12 11.552 -3.186 -2.357 1.00 0.00 H new ATOM 0 HA LEU B 12 13.110 -0.856 -1.635 1.00 0.00 H new ATOM 0 HB2 LEU B 12 10.686 -1.327 -2.787 1.00 0.00 H new ATOM 0 HB3 LEU B 12 10.127 -1.098 -1.142 1.00 0.00 H new ATOM 0 HG LEU B 12 11.757 1.031 -1.233 1.00 0.00 H new ATOM 0 HD11 LEU B 12 11.737 2.040 -3.499 1.00 0.00 H new ATOM 0 HD12 LEU B 12 12.616 0.493 -3.497 1.00 0.00 H new ATOM 0 HD13 LEU B 12 10.960 0.575 -4.144 1.00 0.00 H new ATOM 0 HD21 LEU B 12 9.801 2.381 -1.955 1.00 0.00 H new ATOM 0 HD22 LEU B 12 9.028 0.913 -2.601 1.00 0.00 H new ATOM 0 HD23 LEU B 12 9.303 1.077 -0.851 1.00 0.00 H new ATOM 2091 N GLU B 13 11.645 -2.440 0.871 1.00 0.00 N ATOM 2092 CA GLU B 13 11.633 -2.462 2.380 1.00 0.00 C ATOM 2093 C GLU B 13 13.071 -2.442 2.922 1.00 0.00 C ATOM 2094 O GLU B 13 13.353 -1.784 3.908 1.00 0.00 O ATOM 2095 CB GLU B 13 10.929 -3.764 2.799 1.00 0.00 C ATOM 2096 CG GLU B 13 10.666 -3.745 4.310 1.00 0.00 C ATOM 2097 CD GLU B 13 11.719 -4.592 5.031 1.00 0.00 C ATOM 2098 OE1 GLU B 13 12.844 -4.631 4.561 1.00 0.00 O ATOM 2099 OE2 GLU B 13 11.382 -5.187 6.041 1.00 0.00 O ATOM 0 H GLU B 13 11.163 -3.216 0.418 1.00 0.00 H new ATOM 0 HA GLU B 13 11.115 -1.590 2.779 1.00 0.00 H new ATOM 0 HB2 GLU B 13 9.989 -3.871 2.258 1.00 0.00 H new ATOM 0 HB3 GLU B 13 11.547 -4.623 2.538 1.00 0.00 H new ATOM 0 HG2 GLU B 13 10.695 -2.720 4.680 1.00 0.00 H new ATOM 0 HG3 GLU B 13 9.669 -4.132 4.520 1.00 0.00 H new ATOM 2106 N GLU B 14 13.988 -3.150 2.289 1.00 0.00 N ATOM 2107 CA GLU B 14 15.409 -3.145 2.794 1.00 0.00 C ATOM 2108 C GLU B 14 15.974 -1.716 2.742 1.00 0.00 C ATOM 2109 O GLU B 14 16.659 -1.287 3.653 1.00 0.00 O ATOM 2110 CB GLU B 14 16.214 -4.066 1.865 1.00 0.00 C ATOM 2111 CG GLU B 14 16.117 -5.508 2.367 1.00 0.00 C ATOM 2112 CD GLU B 14 16.249 -6.472 1.186 1.00 0.00 C ATOM 2113 OE1 GLU B 14 17.140 -6.268 0.379 1.00 0.00 O ATOM 2114 OE2 GLU B 14 15.456 -7.395 1.109 1.00 0.00 O ATOM 0 H GLU B 14 13.819 -3.721 1.461 1.00 0.00 H new ATOM 0 HA GLU B 14 15.463 -3.491 3.826 1.00 0.00 H new ATOM 0 HB2 GLU B 14 15.831 -3.998 0.847 1.00 0.00 H new ATOM 0 HB3 GLU B 14 17.257 -3.749 1.836 1.00 0.00 H new ATOM 0 HG2 GLU B 14 16.902 -5.703 3.098 1.00 0.00 H new ATOM 0 HG3 GLU B 14 15.164 -5.665 2.873 1.00 0.00 H new