USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 528 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 38 GLN : amide:sc= -0.677 K(o=-3.5,f=-7.4!) USER MOD Set 1.2: A 77 MET CE :methyl 169:sc= -2.8 (180deg=-2.69) USER MOD Single : A 17 THR OG1 : rot 23:sc= 0.136 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN :FLIP amide:sc= -1.3! C(o=-2!,f=-1.3!) USER MOD Single : A 45 THR OG1 : rot -175:sc= 0.0663 USER MOD Single : A 46 HIS : no HD1:sc= -0.759 K(o=-0.76,f=-2.3!) USER MOD Single : A 47 MET CE :methyl 159:sc= -0.116 (180deg=-0.639) USER MOD Single : A 59 TYR OH : rot 180:sc= -0.513 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl -136:sc= 0 (180deg=-0.759) USER MOD Single : A 81 LYS NZ :NH3+ 162:sc= -0.0268 (180deg=-0.275) USER MOD Single : A 83 TYR OH : rot 30:sc= -0.379 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN :FLIP amide:sc= -0.882 F(o=-1.5,f=-0.88) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 202 N THR A 17 3.330 4.375 1.507 1.00 0.00 N ATOM 203 CA THR A 17 3.976 3.188 2.052 1.00 0.00 C ATOM 204 C THR A 17 3.046 2.444 3.004 1.00 0.00 C ATOM 205 O THR A 17 2.147 3.037 3.599 1.00 0.00 O ATOM 206 CB THR A 17 5.274 3.548 2.799 1.00 0.00 C ATOM 207 OG1 THR A 17 6.117 4.345 1.959 1.00 0.00 O ATOM 208 CG2 THR A 17 6.019 2.292 3.227 1.00 0.00 C ATOM 0 HA THR A 17 4.218 2.544 1.207 1.00 0.00 H new ATOM 0 HB THR A 17 5.008 4.115 3.691 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.574 4.781 1.270 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.932 2.572 3.752 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.386 1.701 3.889 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.273 1.702 2.346 1.00 0.00 H new ATOM 216 N VAL A 18 3.269 1.141 3.144 1.00 0.00 N ATOM 217 CA VAL A 18 2.452 0.316 4.025 1.00 0.00 C ATOM 218 C VAL A 18 3.291 -0.293 5.143 1.00 0.00 C ATOM 219 O VAL A 18 4.470 -0.593 4.955 1.00 0.00 O ATOM 220 CB VAL A 18 1.754 -0.816 3.247 1.00 0.00 C ATOM 221 CG1 VAL A 18 1.254 -0.311 1.903 1.00 0.00 C ATOM 222 CG2 VAL A 18 2.697 -1.996 3.065 1.00 0.00 C ATOM 0 H VAL A 18 4.009 0.634 2.658 1.00 0.00 H new ATOM 0 HA VAL A 18 1.695 0.970 4.458 1.00 0.00 H new ATOM 0 HB VAL A 18 0.893 -1.153 3.824 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.764 -1.125 1.368 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.543 0.500 2.061 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.096 0.054 1.315 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.188 -2.787 2.514 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.578 -1.675 2.509 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.001 -2.373 4.042 1.00 0.00 H new ATOM 232 N TYR A 19 2.676 -0.472 6.306 1.00 0.00 N ATOM 233 CA TYR A 19 3.367 -1.043 7.456 1.00 0.00 C ATOM 234 C TYR A 19 3.053 -2.529 7.597 1.00 0.00 C ATOM 235 O TYR A 19 1.980 -2.908 8.065 1.00 0.00 O ATOM 236 CB TYR A 19 2.970 -0.303 8.735 1.00 0.00 C ATOM 237 CG TYR A 19 3.780 -0.709 9.946 1.00 0.00 C ATOM 238 CD1 TYR A 19 3.702 -1.999 10.458 1.00 0.00 C ATOM 239 CD2 TYR A 19 4.622 0.197 10.578 1.00 0.00 C ATOM 240 CE1 TYR A 19 4.440 -2.374 11.564 1.00 0.00 C ATOM 241 CE2 TYR A 19 5.365 -0.170 11.684 1.00 0.00 C ATOM 242 CZ TYR A 19 5.270 -1.456 12.173 1.00 0.00 C ATOM 243 OH TYR A 19 6.007 -1.825 13.275 1.00 0.00 O ATOM 0 H TYR A 19 1.700 -0.230 6.478 1.00 0.00 H new ATOM 0 HA TYR A 19 4.439 -0.930 7.297 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.084 0.769 8.575 1.00 0.00 H new ATOM 0 HB3 TYR A 19 1.914 -0.484 8.937 1.00 0.00 H new ATOM 0 HD1 TYR A 19 3.053 -2.720 9.983 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.697 1.205 10.199 1.00 0.00 H new ATOM 0 HE1 TYR A 19 4.367 -3.380 11.950 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.016 0.546 12.163 1.00 0.00 H new ATOM 0 HH TYR A 19 6.540 -1.062 13.582 1.00 0.00 H new ATOM 253 N VAL A 20 4.000 -3.368 7.189 1.00 0.00 N ATOM 254 CA VAL A 20 3.828 -4.814 7.270 1.00 0.00 C ATOM 255 C VAL A 20 4.338 -5.354 8.601 1.00 0.00 C ATOM 256 O VAL A 20 5.520 -5.232 8.921 1.00 0.00 O ATOM 257 CB VAL A 20 4.563 -5.532 6.122 1.00 0.00 C ATOM 258 CG1 VAL A 20 4.290 -7.027 6.167 1.00 0.00 C ATOM 259 CG2 VAL A 20 4.152 -4.946 4.779 1.00 0.00 C ATOM 0 H VAL A 20 4.894 -3.071 6.799 1.00 0.00 H new ATOM 0 HA VAL A 20 2.759 -5.011 7.187 1.00 0.00 H new ATOM 0 HB VAL A 20 5.635 -5.379 6.247 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.817 -7.518 5.349 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.638 -7.432 7.117 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.219 -7.204 6.067 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.680 -5.464 3.979 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.077 -5.068 4.643 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.403 -3.886 4.752 1.00 0.00 H new ATOM 269 N GLY A 21 3.437 -5.952 9.375 1.00 0.00 N ATOM 270 CA GLY A 21 3.815 -6.503 10.663 1.00 0.00 C ATOM 271 C GLY A 21 3.234 -7.883 10.897 1.00 0.00 C ATOM 272 O GLY A 21 2.019 -8.070 10.845 1.00 0.00 O ATOM 0 H GLY A 21 2.453 -6.064 9.133 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.902 -6.554 10.728 1.00 0.00 H new ATOM 0 HA3 GLY A 21 3.480 -5.832 11.454 1.00 0.00 H new ATOM 276 N GLY A 22 4.104 -8.855 11.154 1.00 0.00 N ATOM 277 CA GLY A 22 3.651 -10.213 11.390 1.00 0.00 C ATOM 278 C GLY A 22 3.949 -11.135 10.224 1.00 0.00 C ATOM 279 O GLY A 22 3.074 -11.870 9.766 1.00 0.00 O ATOM 0 H GLY A 22 5.115 -8.726 11.203 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.131 -10.602 12.288 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.578 -10.207 11.579 1.00 0.00 H new ATOM 283 N LEU A 23 5.186 -11.096 9.742 1.00 0.00 N ATOM 284 CA LEU A 23 5.597 -11.933 8.620 1.00 0.00 C ATOM 285 C LEU A 23 6.350 -13.166 9.109 1.00 0.00 C ATOM 286 O LEU A 23 6.736 -13.249 10.275 1.00 0.00 O ATOM 287 CB LEU A 23 6.476 -11.133 7.657 1.00 0.00 C ATOM 288 CG LEU A 23 5.845 -9.875 7.060 1.00 0.00 C ATOM 289 CD1 LEU A 23 6.905 -9.008 6.399 1.00 0.00 C ATOM 290 CD2 LEU A 23 4.757 -10.245 6.063 1.00 0.00 C ATOM 0 H LEU A 23 5.922 -10.494 10.110 1.00 0.00 H new ATOM 0 HA LEU A 23 4.700 -12.262 8.095 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.386 -10.844 8.182 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.774 -11.789 6.839 1.00 0.00 H new ATOM 0 HG LEU A 23 5.389 -9.302 7.868 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.437 -8.117 5.980 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.648 -8.713 7.140 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.391 -9.571 5.603 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.319 -9.337 5.648 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.188 -10.840 5.258 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.983 -10.823 6.567 1.00 0.00 H new ATOM 302 N ASP A 24 6.556 -14.122 8.209 1.00 0.00 N ATOM 303 CA ASP A 24 7.266 -15.350 8.547 1.00 0.00 C ATOM 304 C ASP A 24 8.640 -15.383 7.885 1.00 0.00 C ATOM 305 O ASP A 24 8.851 -14.767 6.841 1.00 0.00 O ATOM 306 CB ASP A 24 6.450 -16.570 8.119 1.00 0.00 C ATOM 307 CG ASP A 24 7.102 -17.876 8.528 1.00 0.00 C ATOM 308 OD1 ASP A 24 7.983 -18.358 7.785 1.00 0.00 O ATOM 309 OD2 ASP A 24 6.732 -18.417 9.592 1.00 0.00 O ATOM 0 H ASP A 24 6.241 -14.070 7.240 1.00 0.00 H new ATOM 0 HA ASP A 24 7.403 -15.376 9.628 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.455 -16.511 8.560 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.321 -16.555 7.037 1.00 0.00 H new ATOM 314 N GLU A 25 9.571 -16.105 8.501 1.00 0.00 N ATOM 315 CA GLU A 25 10.925 -16.217 7.972 1.00 0.00 C ATOM 316 C GLU A 25 10.905 -16.371 6.454 1.00 0.00 C ATOM 317 O GLU A 25 11.688 -15.740 5.743 1.00 0.00 O ATOM 318 CB GLU A 25 11.648 -17.406 8.606 1.00 0.00 C ATOM 319 CG GLU A 25 10.999 -18.746 8.303 1.00 0.00 C ATOM 320 CD GLU A 25 11.725 -19.907 8.954 1.00 0.00 C ATOM 321 OE1 GLU A 25 11.605 -20.067 10.186 1.00 0.00 O ATOM 322 OE2 GLU A 25 12.414 -20.656 8.230 1.00 0.00 O ATOM 0 H GLU A 25 9.412 -16.621 9.367 1.00 0.00 H new ATOM 0 HA GLU A 25 11.461 -15.301 8.220 1.00 0.00 H new ATOM 0 HB2 GLU A 25 12.679 -17.423 8.253 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.683 -17.265 9.686 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.965 -18.730 8.647 1.00 0.00 H new ATOM 0 HG3 GLU A 25 10.974 -18.897 7.224 1.00 0.00 H new ATOM 329 N LYS A 26 10.003 -17.214 5.963 1.00 0.00 N ATOM 330 CA LYS A 26 9.878 -17.453 4.530 1.00 0.00 C ATOM 331 C LYS A 26 9.845 -16.136 3.760 1.00 0.00 C ATOM 332 O LYS A 26 10.640 -15.920 2.846 1.00 0.00 O ATOM 333 CB LYS A 26 8.612 -18.261 4.234 1.00 0.00 C ATOM 334 CG LYS A 26 8.756 -19.744 4.527 1.00 0.00 C ATOM 335 CD LYS A 26 7.401 -20.424 4.636 1.00 0.00 C ATOM 336 CE LYS A 26 6.910 -20.910 3.281 1.00 0.00 C ATOM 337 NZ LYS A 26 5.766 -21.854 3.412 1.00 0.00 N ATOM 0 H LYS A 26 9.347 -17.744 6.537 1.00 0.00 H new ATOM 0 HA LYS A 26 10.749 -18.023 4.205 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.789 -17.860 4.825 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.344 -18.130 3.185 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.339 -20.217 3.737 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.309 -19.880 5.457 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.470 -21.268 5.323 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.676 -19.728 5.058 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.608 -20.055 2.676 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.728 -21.401 2.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.460 -22.162 2.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.061 -22.682 3.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.976 -21.378 3.893 1.00 0.00 H new ATOM 351 N VAL A 27 8.920 -15.259 4.137 1.00 0.00 N ATOM 352 CA VAL A 27 8.785 -13.963 3.484 1.00 0.00 C ATOM 353 C VAL A 27 10.148 -13.382 3.127 1.00 0.00 C ATOM 354 O VAL A 27 11.142 -13.645 3.803 1.00 0.00 O ATOM 355 CB VAL A 27 8.030 -12.960 4.377 1.00 0.00 C ATOM 356 CG1 VAL A 27 8.077 -11.565 3.772 1.00 0.00 C ATOM 357 CG2 VAL A 27 6.593 -13.411 4.587 1.00 0.00 C ATOM 0 H VAL A 27 8.253 -15.423 4.891 1.00 0.00 H new ATOM 0 HA VAL A 27 8.213 -14.128 2.571 1.00 0.00 H new ATOM 0 HB VAL A 27 8.521 -12.925 5.349 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.538 -10.870 4.417 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.114 -11.244 3.679 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.612 -11.580 2.786 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.074 -12.691 5.220 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.088 -13.477 3.623 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.585 -14.389 5.068 1.00 0.00 H new ATOM 367 N SER A 28 10.188 -12.591 2.059 1.00 0.00 N ATOM 368 CA SER A 28 11.431 -11.976 1.609 1.00 0.00 C ATOM 369 C SER A 28 11.174 -10.580 1.049 1.00 0.00 C ATOM 370 O SER A 28 10.030 -10.136 0.962 1.00 0.00 O ATOM 371 CB SER A 28 12.102 -12.849 0.547 1.00 0.00 C ATOM 372 OG SER A 28 13.511 -12.837 0.693 1.00 0.00 O ATOM 0 H SER A 28 9.374 -12.361 1.489 1.00 0.00 H new ATOM 0 HA SER A 28 12.096 -11.887 2.468 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.734 -13.872 0.627 1.00 0.00 H new ATOM 0 HB3 SER A 28 11.833 -12.490 -0.446 1.00 0.00 H new ATOM 0 HG SER A 28 13.916 -13.404 0.004 1.00 0.00 H new ATOM 378 N GLU A 29 12.248 -9.894 0.671 1.00 0.00 N ATOM 379 CA GLU A 29 12.139 -8.548 0.120 1.00 0.00 C ATOM 380 C GLU A 29 11.473 -8.575 -1.253 1.00 0.00 C ATOM 381 O GLU A 29 10.463 -7.914 -1.494 1.00 0.00 O ATOM 382 CB GLU A 29 13.523 -7.903 0.015 1.00 0.00 C ATOM 383 CG GLU A 29 13.900 -7.072 1.230 1.00 0.00 C ATOM 384 CD GLU A 29 15.392 -7.081 1.503 1.00 0.00 C ATOM 385 OE1 GLU A 29 16.172 -7.114 0.528 1.00 0.00 O ATOM 386 OE2 GLU A 29 15.779 -7.054 2.689 1.00 0.00 O ATOM 0 H GLU A 29 13.203 -10.248 0.736 1.00 0.00 H new ATOM 0 HA GLU A 29 11.520 -7.956 0.794 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.269 -8.685 -0.126 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.553 -7.270 -0.872 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.568 -6.045 1.080 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.372 -7.453 2.104 1.00 0.00 H new ATOM 393 N PRO A 30 12.052 -9.357 -2.176 1.00 0.00 N ATOM 394 CA PRO A 30 11.533 -9.489 -3.540 1.00 0.00 C ATOM 395 C PRO A 30 10.210 -10.247 -3.586 1.00 0.00 C ATOM 396 O PRO A 30 9.678 -10.524 -4.662 1.00 0.00 O ATOM 397 CB PRO A 30 12.627 -10.280 -4.262 1.00 0.00 C ATOM 398 CG PRO A 30 13.316 -11.043 -3.184 1.00 0.00 C ATOM 399 CD PRO A 30 13.259 -10.173 -1.959 1.00 0.00 C ATOM 0 HA PRO A 30 11.321 -8.519 -3.991 1.00 0.00 H new ATOM 0 HB2 PRO A 30 12.203 -10.948 -5.011 1.00 0.00 H new ATOM 0 HB3 PRO A 30 13.318 -9.616 -4.781 1.00 0.00 H new ATOM 0 HG2 PRO A 30 12.823 -11.999 -3.007 1.00 0.00 H new ATOM 0 HG3 PRO A 30 14.348 -11.262 -3.459 1.00 0.00 H new ATOM 0 HD2 PRO A 30 13.184 -10.766 -1.048 1.00 0.00 H new ATOM 0 HD3 PRO A 30 14.151 -9.554 -1.864 1.00 0.00 H new ATOM 407 N LEU A 31 9.683 -10.579 -2.413 1.00 0.00 N ATOM 408 CA LEU A 31 8.421 -11.305 -2.319 1.00 0.00 C ATOM 409 C LEU A 31 7.246 -10.340 -2.196 1.00 0.00 C ATOM 410 O LEU A 31 6.269 -10.437 -2.940 1.00 0.00 O ATOM 411 CB LEU A 31 8.444 -12.253 -1.119 1.00 0.00 C ATOM 412 CG LEU A 31 7.189 -13.102 -0.911 1.00 0.00 C ATOM 413 CD1 LEU A 31 7.006 -14.076 -2.065 1.00 0.00 C ATOM 414 CD2 LEU A 31 7.264 -13.849 0.413 1.00 0.00 C ATOM 0 H LEU A 31 10.110 -10.357 -1.514 1.00 0.00 H new ATOM 0 HA LEU A 31 8.296 -11.887 -3.232 1.00 0.00 H new ATOM 0 HB2 LEU A 31 9.298 -12.922 -1.226 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.613 -11.663 -0.218 1.00 0.00 H new ATOM 0 HG LEU A 31 6.325 -12.438 -0.882 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.108 -14.672 -1.900 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.906 -13.521 -2.998 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.872 -14.735 -2.126 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.363 -14.448 0.544 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.137 -14.502 0.413 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.346 -13.133 1.231 1.00 0.00 H new ATOM 426 N LEU A 32 7.348 -9.408 -1.254 1.00 0.00 N ATOM 427 CA LEU A 32 6.294 -8.423 -1.035 1.00 0.00 C ATOM 428 C LEU A 32 6.003 -7.644 -2.314 1.00 0.00 C ATOM 429 O LEU A 32 4.847 -7.377 -2.640 1.00 0.00 O ATOM 430 CB LEU A 32 6.695 -7.459 0.083 1.00 0.00 C ATOM 431 CG LEU A 32 7.304 -8.097 1.332 1.00 0.00 C ATOM 432 CD1 LEU A 32 7.737 -7.026 2.321 1.00 0.00 C ATOM 433 CD2 LEU A 32 6.313 -9.053 1.980 1.00 0.00 C ATOM 0 H LEU A 32 8.149 -9.314 -0.630 1.00 0.00 H new ATOM 0 HA LEU A 32 5.389 -8.954 -0.741 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.411 -6.743 -0.321 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.813 -6.893 0.382 1.00 0.00 H new ATOM 0 HG LEU A 32 8.185 -8.665 1.033 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.168 -7.499 3.204 1.00 0.00 H new ATOM 0 HD12 LEU A 32 8.481 -6.380 1.855 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.872 -6.430 2.614 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.764 -9.498 2.867 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.414 -8.507 2.265 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.051 -9.840 1.273 1.00 0.00 H new ATOM 445 N TRP A 33 7.059 -7.284 -3.034 1.00 0.00 N ATOM 446 CA TRP A 33 6.917 -6.537 -4.279 1.00 0.00 C ATOM 447 C TRP A 33 5.792 -7.112 -5.133 1.00 0.00 C ATOM 448 O TRP A 33 4.734 -6.499 -5.275 1.00 0.00 O ATOM 449 CB TRP A 33 8.230 -6.557 -5.063 1.00 0.00 C ATOM 450 CG TRP A 33 8.410 -5.362 -5.950 1.00 0.00 C ATOM 451 CD1 TRP A 33 7.502 -4.852 -6.833 1.00 0.00 C ATOM 452 CD2 TRP A 33 9.572 -4.529 -6.040 1.00 0.00 C ATOM 453 NE1 TRP A 33 8.029 -3.753 -7.467 1.00 0.00 N ATOM 454 CE2 TRP A 33 9.297 -3.533 -6.997 1.00 0.00 C ATOM 455 CE3 TRP A 33 10.816 -4.527 -5.403 1.00 0.00 C ATOM 456 CZ2 TRP A 33 10.221 -2.548 -7.332 1.00 0.00 C ATOM 457 CZ3 TRP A 33 11.732 -3.548 -5.737 1.00 0.00 C ATOM 458 CH2 TRP A 33 11.432 -2.569 -6.694 1.00 0.00 C ATOM 0 H TRP A 33 8.023 -7.497 -2.778 1.00 0.00 H new ATOM 0 HA TRP A 33 6.668 -5.506 -4.028 1.00 0.00 H new ATOM 0 HB2 TRP A 33 9.063 -6.609 -4.362 1.00 0.00 H new ATOM 0 HB3 TRP A 33 8.268 -7.461 -5.671 1.00 0.00 H new ATOM 0 HD1 TRP A 33 6.515 -5.253 -7.007 1.00 0.00 H new ATOM 0 HE1 TRP A 33 7.553 -3.192 -8.173 1.00 0.00 H new ATOM 0 HE3 TRP A 33 11.057 -5.277 -4.664 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 9.991 -1.793 -8.070 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 12.697 -3.537 -5.252 1.00 0.00 H new ATOM 0 HH2 TRP A 33 12.170 -1.817 -6.933 1.00 0.00 H new ATOM 469 N GLU A 34 6.027 -8.292 -5.698 1.00 0.00 N ATOM 470 CA GLU A 34 5.032 -8.947 -6.539 1.00 0.00 C ATOM 471 C GLU A 34 3.747 -9.208 -5.758 1.00 0.00 C ATOM 472 O GLU A 34 2.649 -8.917 -6.233 1.00 0.00 O ATOM 473 CB GLU A 34 5.584 -10.264 -7.088 1.00 0.00 C ATOM 474 CG GLU A 34 4.561 -11.077 -7.864 1.00 0.00 C ATOM 475 CD GLU A 34 5.202 -12.026 -8.857 1.00 0.00 C ATOM 476 OE1 GLU A 34 6.025 -11.564 -9.674 1.00 0.00 O ATOM 477 OE2 GLU A 34 4.880 -13.232 -8.817 1.00 0.00 O ATOM 0 H GLU A 34 6.897 -8.813 -5.589 1.00 0.00 H new ATOM 0 HA GLU A 34 4.802 -8.282 -7.372 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.433 -10.050 -7.737 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.960 -10.864 -6.259 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.950 -11.647 -7.165 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.891 -10.400 -8.394 1.00 0.00 H new ATOM 484 N LEU A 35 3.893 -9.758 -4.558 1.00 0.00 N ATOM 485 CA LEU A 35 2.745 -10.059 -3.710 1.00 0.00 C ATOM 486 C LEU A 35 1.865 -8.827 -3.527 1.00 0.00 C ATOM 487 O LEU A 35 0.654 -8.939 -3.336 1.00 0.00 O ATOM 488 CB LEU A 35 3.213 -10.573 -2.347 1.00 0.00 C ATOM 489 CG LEU A 35 2.160 -10.589 -1.238 1.00 0.00 C ATOM 490 CD1 LEU A 35 1.035 -11.551 -1.584 1.00 0.00 C ATOM 491 CD2 LEU A 35 2.794 -10.963 0.094 1.00 0.00 C ATOM 0 H LEU A 35 4.795 -10.005 -4.150 1.00 0.00 H new ATOM 0 HA LEU A 35 2.156 -10.834 -4.201 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.593 -11.587 -2.474 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.050 -9.958 -2.017 1.00 0.00 H new ATOM 0 HG LEU A 35 1.739 -9.588 -1.149 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.295 -11.549 -0.783 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.563 -11.239 -2.515 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.439 -12.556 -1.702 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.030 -10.969 0.872 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.243 -11.953 0.018 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.564 -10.234 0.348 1.00 0.00 H new ATOM 503 N PHE A 36 2.481 -7.651 -3.588 1.00 0.00 N ATOM 504 CA PHE A 36 1.754 -6.397 -3.431 1.00 0.00 C ATOM 505 C PHE A 36 1.358 -5.824 -4.788 1.00 0.00 C ATOM 506 O PHE A 36 0.332 -5.154 -4.917 1.00 0.00 O ATOM 507 CB PHE A 36 2.605 -5.383 -2.664 1.00 0.00 C ATOM 508 CG PHE A 36 2.442 -5.467 -1.174 1.00 0.00 C ATOM 509 CD1 PHE A 36 2.899 -6.572 -0.475 1.00 0.00 C ATOM 510 CD2 PHE A 36 1.831 -4.441 -0.471 1.00 0.00 C ATOM 511 CE1 PHE A 36 2.749 -6.653 0.897 1.00 0.00 C ATOM 512 CE2 PHE A 36 1.679 -4.515 0.900 1.00 0.00 C ATOM 513 CZ PHE A 36 2.139 -5.622 1.585 1.00 0.00 C ATOM 0 H PHE A 36 3.483 -7.540 -3.745 1.00 0.00 H new ATOM 0 HA PHE A 36 0.845 -6.601 -2.864 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.654 -5.537 -2.916 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.343 -4.378 -2.994 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.378 -7.380 -1.008 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.469 -3.573 -1.002 1.00 0.00 H new ATOM 0 HE1 PHE A 36 3.108 -7.521 1.430 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.201 -3.708 1.435 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.022 -5.682 2.657 1.00 0.00 H new ATOM 523 N LEU A 37 2.178 -6.091 -5.798 1.00 0.00 N ATOM 524 CA LEU A 37 1.915 -5.602 -7.147 1.00 0.00 C ATOM 525 C LEU A 37 0.433 -5.718 -7.489 1.00 0.00 C ATOM 526 O LEU A 37 -0.073 -4.995 -8.347 1.00 0.00 O ATOM 527 CB LEU A 37 2.748 -6.383 -8.166 1.00 0.00 C ATOM 528 CG LEU A 37 4.196 -5.926 -8.341 1.00 0.00 C ATOM 529 CD1 LEU A 37 4.952 -6.884 -9.248 1.00 0.00 C ATOM 530 CD2 LEU A 37 4.244 -4.511 -8.898 1.00 0.00 C ATOM 0 H LEU A 37 3.031 -6.643 -5.709 1.00 0.00 H new ATOM 0 HA LEU A 37 2.197 -4.550 -7.187 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.752 -7.433 -7.873 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.250 -6.324 -9.134 1.00 0.00 H new ATOM 0 HG LEU A 37 4.678 -5.927 -7.364 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.981 -6.543 -9.361 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.947 -7.882 -8.809 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.471 -6.916 -10.226 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.282 -4.202 -9.016 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.745 -4.484 -9.867 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.739 -3.832 -8.211 1.00 0.00 H new ATOM 542 N GLN A 38 -0.256 -6.630 -6.811 1.00 0.00 N ATOM 543 CA GLN A 38 -1.680 -6.839 -7.043 1.00 0.00 C ATOM 544 C GLN A 38 -2.475 -5.579 -6.715 1.00 0.00 C ATOM 545 O GLN A 38 -3.323 -5.147 -7.496 1.00 0.00 O ATOM 546 CB GLN A 38 -2.189 -8.010 -6.201 1.00 0.00 C ATOM 547 CG GLN A 38 -1.800 -7.921 -4.735 1.00 0.00 C ATOM 548 CD GLN A 38 -2.296 -9.103 -3.926 1.00 0.00 C ATOM 549 OE1 GLN A 38 -3.176 -8.963 -3.076 1.00 0.00 O ATOM 550 NE2 GLN A 38 -1.733 -10.277 -4.186 1.00 0.00 N ATOM 0 H GLN A 38 0.149 -7.236 -6.097 1.00 0.00 H new ATOM 0 HA GLN A 38 -1.820 -7.072 -8.099 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.275 -8.056 -6.278 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.800 -8.940 -6.615 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -0.715 -7.860 -4.654 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.203 -7.001 -4.311 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.007 -10.348 -4.899 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.027 -11.108 -3.673 1.00 0.00 H new ATOM 559 N ALA A 39 -2.196 -4.994 -5.554 1.00 0.00 N ATOM 560 CA ALA A 39 -2.883 -3.783 -5.124 1.00 0.00 C ATOM 561 C ALA A 39 -2.496 -2.593 -5.995 1.00 0.00 C ATOM 562 O ALA A 39 -3.341 -1.775 -6.356 1.00 0.00 O ATOM 563 CB ALA A 39 -2.576 -3.493 -3.663 1.00 0.00 C ATOM 0 H ALA A 39 -1.499 -5.340 -4.895 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.955 -3.945 -5.233 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.096 -2.586 -3.355 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.910 -4.329 -3.048 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.502 -3.356 -3.537 1.00 0.00 H new ATOM 569 N GLY A 40 -1.212 -2.502 -6.329 1.00 0.00 N ATOM 570 CA GLY A 40 -0.735 -1.408 -7.154 1.00 0.00 C ATOM 571 C GLY A 40 0.698 -1.604 -7.606 1.00 0.00 C ATOM 572 O GLY A 40 1.363 -2.571 -7.232 1.00 0.00 O ATOM 0 H GLY A 40 -0.494 -3.167 -6.043 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.378 -1.310 -8.029 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.812 -0.475 -6.595 1.00 0.00 H new ATOM 576 N PRO A 41 1.196 -0.671 -8.431 1.00 0.00 N ATOM 577 CA PRO A 41 2.564 -0.725 -8.953 1.00 0.00 C ATOM 578 C PRO A 41 3.608 -0.465 -7.872 1.00 0.00 C ATOM 579 O PRO A 41 4.043 0.670 -7.675 1.00 0.00 O ATOM 580 CB PRO A 41 2.589 0.392 -9.999 1.00 0.00 C ATOM 581 CG PRO A 41 1.531 1.345 -9.561 1.00 0.00 C ATOM 582 CD PRO A 41 0.460 0.508 -8.918 1.00 0.00 C ATOM 0 HA PRO A 41 2.808 -1.709 -9.354 1.00 0.00 H new ATOM 0 HB2 PRO A 41 3.565 0.875 -10.039 1.00 0.00 H new ATOM 0 HB3 PRO A 41 2.384 0.004 -10.997 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.931 2.075 -8.857 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.134 1.903 -10.409 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.031 1.040 -8.103 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -0.316 0.231 -9.631 1.00 0.00 H new ATOM 590 N VAL A 42 4.006 -1.524 -7.174 1.00 0.00 N ATOM 591 CA VAL A 42 5.000 -1.410 -6.113 1.00 0.00 C ATOM 592 C VAL A 42 6.290 -0.786 -6.633 1.00 0.00 C ATOM 593 O VAL A 42 6.854 -1.239 -7.629 1.00 0.00 O ATOM 594 CB VAL A 42 5.320 -2.784 -5.495 1.00 0.00 C ATOM 595 CG1 VAL A 42 6.392 -2.651 -4.424 1.00 0.00 C ATOM 596 CG2 VAL A 42 4.060 -3.417 -4.924 1.00 0.00 C ATOM 0 H VAL A 42 3.656 -2.470 -7.324 1.00 0.00 H new ATOM 0 HA VAL A 42 4.572 -0.765 -5.346 1.00 0.00 H new ATOM 0 HB VAL A 42 5.703 -3.436 -6.280 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.605 -3.632 -3.999 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.300 -2.243 -4.867 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.040 -1.983 -3.638 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.304 -4.387 -4.491 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.645 -2.769 -4.152 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.326 -3.549 -5.719 1.00 0.00 H new ATOM 606 N VAL A 43 6.753 0.257 -5.952 1.00 0.00 N ATOM 607 CA VAL A 43 7.978 0.944 -6.344 1.00 0.00 C ATOM 608 C VAL A 43 9.210 0.205 -5.832 1.00 0.00 C ATOM 609 O VAL A 43 10.117 -0.115 -6.598 1.00 0.00 O ATOM 610 CB VAL A 43 8.004 2.390 -5.817 1.00 0.00 C ATOM 611 CG1 VAL A 43 9.043 3.213 -6.565 1.00 0.00 C ATOM 612 CG2 VAL A 43 6.626 3.024 -5.933 1.00 0.00 C ATOM 0 H VAL A 43 6.298 0.645 -5.126 1.00 0.00 H new ATOM 0 HA VAL A 43 7.996 0.963 -7.434 1.00 0.00 H new ATOM 0 HB VAL A 43 8.282 2.369 -4.763 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.047 4.232 -6.179 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.028 2.768 -6.426 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.799 3.229 -7.627 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.663 4.046 -5.556 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.317 3.034 -6.978 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.910 2.447 -5.348 1.00 0.00 H new ATOM 622 N ASN A 44 9.233 -0.063 -4.530 1.00 0.00 N ATOM 623 CA ASN A 44 10.354 -0.764 -3.915 1.00 0.00 C ATOM 624 C ASN A 44 9.936 -1.403 -2.594 1.00 0.00 C ATOM 625 O ASN A 44 8.894 -1.067 -2.030 1.00 0.00 O ATOM 626 CB ASN A 44 11.519 0.200 -3.681 1.00 0.00 C ATOM 627 CG ASN A 44 12.496 -0.315 -2.641 1.00 0.00 C ATOM 628 OD1 ASN A 44 12.215 -0.030 -1.375 1.00 0.00 O flip ATOM 629 ND2 ASN A 44 13.490 -0.960 -2.972 1.00 0.00 N flip ATOM 0 H ASN A 44 8.489 0.194 -3.882 1.00 0.00 H new ATOM 0 HA ASN A 44 10.675 -1.553 -4.595 1.00 0.00 H new ATOM 0 HB2 ASN A 44 12.046 0.364 -4.621 1.00 0.00 H new ATOM 0 HB3 ASN A 44 11.129 1.166 -3.362 1.00 0.00 H new ATOM 0 HD21 ASN A 44 13.666 -1.156 -3.957 1.00 0.00 H new ATOM 0 HD22 ASN A 44 14.138 -1.299 -2.261 1.00 0.00 H new ATOM 636 N THR A 45 10.757 -2.327 -2.104 1.00 0.00 N ATOM 637 CA THR A 45 10.473 -3.015 -0.851 1.00 0.00 C ATOM 638 C THR A 45 11.529 -2.696 0.202 1.00 0.00 C ATOM 639 O THR A 45 12.722 -2.640 -0.098 1.00 0.00 O ATOM 640 CB THR A 45 10.407 -4.541 -1.049 1.00 0.00 C ATOM 641 OG1 THR A 45 11.623 -5.011 -1.640 1.00 0.00 O ATOM 642 CG2 THR A 45 9.228 -4.920 -1.933 1.00 0.00 C ATOM 0 H THR A 45 11.624 -2.616 -2.556 1.00 0.00 H new ATOM 0 HA THR A 45 9.501 -2.659 -0.508 1.00 0.00 H new ATOM 0 HB THR A 45 10.274 -5.007 -0.073 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.545 -5.969 -1.830 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.201 -6.002 -2.059 1.00 0.00 H new ATOM 0 HG22 THR A 45 8.301 -4.586 -1.467 1.00 0.00 H new ATOM 0 HG23 THR A 45 9.336 -4.444 -2.907 1.00 0.00 H new ATOM 650 N HIS A 46 11.083 -2.488 1.437 1.00 0.00 N ATOM 651 CA HIS A 46 11.990 -2.176 2.535 1.00 0.00 C ATOM 652 C HIS A 46 11.735 -3.093 3.728 1.00 0.00 C ATOM 653 O HIS A 46 10.667 -3.051 4.338 1.00 0.00 O ATOM 654 CB HIS A 46 11.831 -0.715 2.957 1.00 0.00 C ATOM 655 CG HIS A 46 12.924 -0.230 3.859 1.00 0.00 C ATOM 656 ND1 HIS A 46 13.402 -0.964 4.924 1.00 0.00 N ATOM 657 CD2 HIS A 46 13.633 0.923 3.850 1.00 0.00 C ATOM 658 CE1 HIS A 46 14.358 -0.283 5.531 1.00 0.00 C ATOM 659 NE2 HIS A 46 14.517 0.866 4.899 1.00 0.00 N ATOM 0 H HIS A 46 10.099 -2.530 1.702 1.00 0.00 H new ATOM 0 HA HIS A 46 13.010 -2.337 2.187 1.00 0.00 H new ATOM 0 HB2 HIS A 46 11.802 -0.089 2.065 1.00 0.00 H new ATOM 0 HB3 HIS A 46 10.873 -0.594 3.463 1.00 0.00 H new ATOM 0 HD2 HIS A 46 13.524 1.737 3.148 1.00 0.00 H new ATOM 0 HE1 HIS A 46 14.915 -0.610 6.397 1.00 0.00 H new ATOM 0 HE2 HIS A 46 15.187 1.593 5.150 1.00 0.00 H new ATOM 667 N MET A 47 12.723 -3.921 4.053 1.00 0.00 N ATOM 668 CA MET A 47 12.605 -4.848 5.173 1.00 0.00 C ATOM 669 C MET A 47 13.807 -4.731 6.105 1.00 0.00 C ATOM 670 O MET A 47 14.892 -5.242 5.824 1.00 0.00 O ATOM 671 CB MET A 47 12.478 -6.284 4.663 1.00 0.00 C ATOM 672 CG MET A 47 11.099 -6.615 4.116 1.00 0.00 C ATOM 673 SD MET A 47 10.952 -8.336 3.598 1.00 0.00 S ATOM 674 CE MET A 47 11.125 -9.179 5.170 1.00 0.00 C ATOM 0 H MET A 47 13.613 -3.969 3.557 1.00 0.00 H new ATOM 0 HA MET A 47 11.707 -4.589 5.734 1.00 0.00 H new ATOM 0 HB2 MET A 47 13.219 -6.450 3.881 1.00 0.00 H new ATOM 0 HB3 MET A 47 12.712 -6.972 5.476 1.00 0.00 H new ATOM 0 HG2 MET A 47 10.350 -6.404 4.879 1.00 0.00 H new ATOM 0 HG3 MET A 47 10.883 -5.965 3.268 1.00 0.00 H new ATOM 0 HE1 MET A 47 10.698 -10.179 5.095 1.00 0.00 H new ATOM 0 HE2 MET A 47 12.181 -9.254 5.429 1.00 0.00 H new ATOM 0 HE3 MET A 47 10.601 -8.618 5.944 1.00 0.00 H new ATOM 684 N PRO A 48 13.613 -4.042 7.239 1.00 0.00 N ATOM 685 CA PRO A 48 14.671 -3.843 8.235 1.00 0.00 C ATOM 686 C PRO A 48 15.032 -5.133 8.964 1.00 0.00 C ATOM 687 O PRO A 48 14.175 -5.984 9.203 1.00 0.00 O ATOM 688 CB PRO A 48 14.057 -2.833 9.207 1.00 0.00 C ATOM 689 CG PRO A 48 12.585 -3.024 9.073 1.00 0.00 C ATOM 690 CD PRO A 48 12.347 -3.406 7.638 1.00 0.00 C ATOM 0 HA PRO A 48 15.602 -3.505 7.779 1.00 0.00 H new ATOM 0 HB2 PRO A 48 14.388 -3.016 10.229 1.00 0.00 H new ATOM 0 HB3 PRO A 48 14.348 -1.813 8.955 1.00 0.00 H new ATOM 0 HG2 PRO A 48 12.229 -3.802 9.748 1.00 0.00 H new ATOM 0 HG3 PRO A 48 12.048 -2.110 9.328 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.505 -4.091 7.539 1.00 0.00 H new ATOM 0 HD3 PRO A 48 12.124 -2.535 7.022 1.00 0.00 H new ATOM 851 N TYR A 59 8.865 -8.118 9.903 1.00 0.00 N ATOM 852 CA TYR A 59 8.100 -6.938 9.519 1.00 0.00 C ATOM 853 C TYR A 59 8.847 -6.123 8.468 1.00 0.00 C ATOM 854 O TYR A 59 10.077 -6.088 8.451 1.00 0.00 O ATOM 855 CB TYR A 59 7.813 -6.069 10.745 1.00 0.00 C ATOM 856 CG TYR A 59 8.857 -5.003 10.989 1.00 0.00 C ATOM 857 CD1 TYR A 59 10.063 -5.311 11.606 1.00 0.00 C ATOM 858 CD2 TYR A 59 8.637 -3.687 10.601 1.00 0.00 C ATOM 859 CE1 TYR A 59 11.018 -4.339 11.832 1.00 0.00 C ATOM 860 CE2 TYR A 59 9.587 -2.709 10.822 1.00 0.00 C ATOM 861 CZ TYR A 59 10.776 -3.040 11.438 1.00 0.00 C ATOM 862 OH TYR A 59 11.727 -2.070 11.659 1.00 0.00 O ATOM 0 HA TYR A 59 7.156 -7.272 9.090 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.841 -5.592 10.622 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.746 -6.708 11.625 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.257 -6.328 11.914 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.707 -3.424 10.118 1.00 0.00 H new ATOM 0 HE1 TYR A 59 11.949 -4.595 12.315 1.00 0.00 H new ATOM 0 HE2 TYR A 59 9.400 -1.691 10.514 1.00 0.00 H new ATOM 0 HH TYR A 59 11.401 -1.210 11.321 1.00 0.00 H new ATOM 872 N GLY A 60 8.093 -5.466 7.591 1.00 0.00 N ATOM 873 CA GLY A 60 8.699 -4.659 6.549 1.00 0.00 C ATOM 874 C GLY A 60 7.788 -3.545 6.074 1.00 0.00 C ATOM 875 O GLY A 60 6.904 -3.101 6.807 1.00 0.00 O ATOM 0 H GLY A 60 7.073 -5.479 7.584 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.629 -4.230 6.921 1.00 0.00 H new ATOM 0 HA3 GLY A 60 8.958 -5.297 5.704 1.00 0.00 H new ATOM 879 N PHE A 61 8.003 -3.091 4.843 1.00 0.00 N ATOM 880 CA PHE A 61 7.195 -2.020 4.272 1.00 0.00 C ATOM 881 C PHE A 61 7.170 -2.111 2.749 1.00 0.00 C ATOM 882 O PHE A 61 8.070 -2.685 2.135 1.00 0.00 O ATOM 883 CB PHE A 61 7.739 -0.656 4.704 1.00 0.00 C ATOM 884 CG PHE A 61 7.882 -0.512 6.192 1.00 0.00 C ATOM 885 CD1 PHE A 61 9.025 -0.955 6.837 1.00 0.00 C ATOM 886 CD2 PHE A 61 6.873 0.066 6.945 1.00 0.00 C ATOM 887 CE1 PHE A 61 9.160 -0.824 8.207 1.00 0.00 C ATOM 888 CE2 PHE A 61 7.002 0.200 8.315 1.00 0.00 C ATOM 889 CZ PHE A 61 8.147 -0.246 8.946 1.00 0.00 C ATOM 0 H PHE A 61 8.730 -3.448 4.223 1.00 0.00 H new ATOM 0 HA PHE A 61 6.176 -2.131 4.642 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.711 -0.497 4.236 1.00 0.00 H new ATOM 0 HB3 PHE A 61 7.075 0.125 4.333 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.820 -1.408 6.263 1.00 0.00 H new ATOM 0 HD2 PHE A 61 5.976 0.416 6.456 1.00 0.00 H new ATOM 0 HE1 PHE A 61 10.056 -1.173 8.698 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.209 0.653 8.891 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.250 -0.143 10.016 1.00 0.00 H new ATOM 899 N VAL A 62 6.132 -1.541 2.145 1.00 0.00 N ATOM 900 CA VAL A 62 5.989 -1.556 0.694 1.00 0.00 C ATOM 901 C VAL A 62 5.585 -0.184 0.167 1.00 0.00 C ATOM 902 O VAL A 62 4.423 0.210 0.261 1.00 0.00 O ATOM 903 CB VAL A 62 4.944 -2.595 0.244 1.00 0.00 C ATOM 904 CG1 VAL A 62 4.807 -2.593 -1.271 1.00 0.00 C ATOM 905 CG2 VAL A 62 5.318 -3.980 0.752 1.00 0.00 C ATOM 0 H VAL A 62 5.378 -1.063 2.638 1.00 0.00 H new ATOM 0 HA VAL A 62 6.961 -1.828 0.283 1.00 0.00 H new ATOM 0 HB VAL A 62 3.979 -2.324 0.672 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.065 -3.333 -1.570 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.490 -1.605 -1.606 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.768 -2.839 -1.724 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.569 -4.702 0.425 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.293 -4.263 0.354 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.360 -3.969 1.841 1.00 0.00 H new ATOM 915 N GLU A 63 6.552 0.539 -0.389 1.00 0.00 N ATOM 916 CA GLU A 63 6.296 1.868 -0.931 1.00 0.00 C ATOM 917 C GLU A 63 5.686 1.778 -2.327 1.00 0.00 C ATOM 918 O GLU A 63 6.343 1.351 -3.277 1.00 0.00 O ATOM 919 CB GLU A 63 7.591 2.681 -0.980 1.00 0.00 C ATOM 920 CG GLU A 63 7.446 4.016 -1.691 1.00 0.00 C ATOM 921 CD GLU A 63 8.779 4.694 -1.938 1.00 0.00 C ATOM 922 OE1 GLU A 63 9.676 4.568 -1.078 1.00 0.00 O ATOM 923 OE2 GLU A 63 8.926 5.351 -2.990 1.00 0.00 O ATOM 0 H GLU A 63 7.519 0.227 -0.476 1.00 0.00 H new ATOM 0 HA GLU A 63 5.585 2.370 -0.274 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.938 2.857 0.038 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.360 2.094 -1.482 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.939 3.863 -2.644 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.813 4.674 -1.095 1.00 0.00 H new ATOM 930 N PHE A 64 4.426 2.183 -2.443 1.00 0.00 N ATOM 931 CA PHE A 64 3.726 2.147 -3.721 1.00 0.00 C ATOM 932 C PHE A 64 4.025 3.399 -4.541 1.00 0.00 C ATOM 933 O PHE A 64 4.568 4.377 -4.025 1.00 0.00 O ATOM 934 CB PHE A 64 2.218 2.018 -3.498 1.00 0.00 C ATOM 935 CG PHE A 64 1.763 0.604 -3.275 1.00 0.00 C ATOM 936 CD1 PHE A 64 1.422 -0.205 -4.347 1.00 0.00 C ATOM 937 CD2 PHE A 64 1.676 0.084 -1.994 1.00 0.00 C ATOM 938 CE1 PHE A 64 1.004 -1.507 -4.147 1.00 0.00 C ATOM 939 CE2 PHE A 64 1.258 -1.217 -1.787 1.00 0.00 C ATOM 940 CZ PHE A 64 0.921 -2.013 -2.864 1.00 0.00 C ATOM 0 H PHE A 64 3.869 2.540 -1.667 1.00 0.00 H new ATOM 0 HA PHE A 64 4.080 1.278 -4.275 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.933 2.623 -2.637 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.695 2.427 -4.362 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.484 0.187 -5.352 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.938 0.702 -1.148 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.743 -2.127 -4.992 1.00 0.00 H new ATOM 0 HE2 PHE A 64 1.195 -1.611 -0.783 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.593 -3.029 -2.704 1.00 0.00 H new ATOM 950 N LEU A 65 3.667 3.361 -5.819 1.00 0.00 N ATOM 951 CA LEU A 65 3.897 4.492 -6.712 1.00 0.00 C ATOM 952 C LEU A 65 2.969 5.653 -6.370 1.00 0.00 C ATOM 953 O LEU A 65 3.406 6.798 -6.258 1.00 0.00 O ATOM 954 CB LEU A 65 3.689 4.069 -8.167 1.00 0.00 C ATOM 955 CG LEU A 65 4.080 5.098 -9.228 1.00 0.00 C ATOM 956 CD1 LEU A 65 5.592 5.179 -9.362 1.00 0.00 C ATOM 957 CD2 LEU A 65 3.441 4.754 -10.566 1.00 0.00 C ATOM 0 H LEU A 65 3.216 2.560 -6.261 1.00 0.00 H new ATOM 0 HA LEU A 65 4.927 4.824 -6.581 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.261 3.158 -8.345 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.637 3.817 -8.304 1.00 0.00 H new ATOM 0 HG LEU A 65 3.712 6.074 -8.913 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.851 5.916 -10.122 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.027 5.474 -8.407 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.984 4.205 -9.654 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.730 5.497 -11.309 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.778 3.769 -10.888 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.356 4.750 -10.461 1.00 0.00 H new ATOM 969 N SER A 66 1.686 5.349 -6.204 1.00 0.00 N ATOM 970 CA SER A 66 0.695 6.367 -5.877 1.00 0.00 C ATOM 971 C SER A 66 0.098 6.119 -4.495 1.00 0.00 C ATOM 972 O SER A 66 -0.128 4.976 -4.101 1.00 0.00 O ATOM 973 CB SER A 66 -0.416 6.385 -6.929 1.00 0.00 C ATOM 974 OG SER A 66 0.122 6.464 -8.237 1.00 0.00 O ATOM 0 H SER A 66 1.308 4.405 -6.291 1.00 0.00 H new ATOM 0 HA SER A 66 1.194 7.336 -5.870 1.00 0.00 H new ATOM 0 HB2 SER A 66 -1.024 5.485 -6.836 1.00 0.00 H new ATOM 0 HB3 SER A 66 -1.075 7.235 -6.752 1.00 0.00 H new ATOM 0 HG SER A 66 -0.608 6.472 -8.891 1.00 0.00 H new ATOM 980 N GLU A 67 -0.154 7.201 -3.763 1.00 0.00 N ATOM 981 CA GLU A 67 -0.724 7.101 -2.425 1.00 0.00 C ATOM 982 C GLU A 67 -1.961 6.208 -2.425 1.00 0.00 C ATOM 983 O GLU A 67 -2.151 5.393 -1.523 1.00 0.00 O ATOM 984 CB GLU A 67 -1.085 8.490 -1.895 1.00 0.00 C ATOM 985 CG GLU A 67 -1.541 8.490 -0.446 1.00 0.00 C ATOM 986 CD GLU A 67 -3.035 8.266 -0.305 1.00 0.00 C ATOM 987 OE1 GLU A 67 -3.806 8.945 -1.014 1.00 0.00 O ATOM 988 OE2 GLU A 67 -3.431 7.410 0.515 1.00 0.00 O ATOM 0 H GLU A 67 0.028 8.155 -4.074 1.00 0.00 H new ATOM 0 HA GLU A 67 0.025 6.654 -1.772 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.218 9.144 -1.994 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.875 8.912 -2.516 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.007 7.711 0.099 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.275 9.441 0.015 1.00 0.00 H new ATOM 995 N GLU A 68 -2.799 6.368 -3.445 1.00 0.00 N ATOM 996 CA GLU A 68 -4.019 5.577 -3.562 1.00 0.00 C ATOM 997 C GLU A 68 -3.701 4.085 -3.571 1.00 0.00 C ATOM 998 O GLU A 68 -4.425 3.281 -2.983 1.00 0.00 O ATOM 999 CB GLU A 68 -4.778 5.956 -4.835 1.00 0.00 C ATOM 1000 CG GLU A 68 -3.946 5.833 -6.100 1.00 0.00 C ATOM 1001 CD GLU A 68 -4.795 5.786 -7.355 1.00 0.00 C ATOM 1002 OE1 GLU A 68 -5.085 6.863 -7.916 1.00 0.00 O ATOM 1003 OE2 GLU A 68 -5.169 4.671 -7.776 1.00 0.00 O ATOM 0 H GLU A 68 -2.656 7.037 -4.201 1.00 0.00 H new ATOM 0 HA GLU A 68 -4.646 5.792 -2.696 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.658 5.320 -4.926 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.135 6.982 -4.743 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.259 6.677 -6.162 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.337 4.930 -6.044 1.00 0.00 H new ATOM 1010 N ASP A 69 -2.613 3.722 -4.243 1.00 0.00 N ATOM 1011 CA ASP A 69 -2.198 2.327 -4.329 1.00 0.00 C ATOM 1012 C ASP A 69 -1.955 1.745 -2.940 1.00 0.00 C ATOM 1013 O ASP A 69 -2.269 0.584 -2.679 1.00 0.00 O ATOM 1014 CB ASP A 69 -0.931 2.201 -5.177 1.00 0.00 C ATOM 1015 CG ASP A 69 -1.183 2.500 -6.642 1.00 0.00 C ATOM 1016 OD1 ASP A 69 -2.214 2.037 -7.173 1.00 0.00 O ATOM 1017 OD2 ASP A 69 -0.348 3.196 -7.258 1.00 0.00 O ATOM 0 H ASP A 69 -2.003 4.375 -4.736 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.001 1.764 -4.804 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.172 2.884 -4.795 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.530 1.192 -5.079 1.00 0.00 H new ATOM 1022 N ALA A 70 -1.393 2.560 -2.053 1.00 0.00 N ATOM 1023 CA ALA A 70 -1.109 2.126 -0.691 1.00 0.00 C ATOM 1024 C ALA A 70 -2.388 1.732 0.038 1.00 0.00 C ATOM 1025 O ALA A 70 -2.524 0.601 0.507 1.00 0.00 O ATOM 1026 CB ALA A 70 -0.382 3.224 0.072 1.00 0.00 C ATOM 0 H ALA A 70 -1.126 3.524 -2.253 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.466 1.247 -0.743 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.176 2.886 1.088 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.557 3.456 -0.431 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.005 4.117 0.106 1.00 0.00 H new ATOM 1032 N ASP A 71 -3.324 2.670 0.130 1.00 0.00 N ATOM 1033 CA ASP A 71 -4.594 2.419 0.802 1.00 0.00 C ATOM 1034 C ASP A 71 -5.264 1.165 0.250 1.00 0.00 C ATOM 1035 O ASP A 71 -5.825 0.366 1.000 1.00 0.00 O ATOM 1036 CB ASP A 71 -5.526 3.622 0.642 1.00 0.00 C ATOM 1037 CG ASP A 71 -6.809 3.470 1.436 1.00 0.00 C ATOM 1038 OD1 ASP A 71 -6.752 2.917 2.554 1.00 0.00 O ATOM 1039 OD2 ASP A 71 -7.869 3.903 0.939 1.00 0.00 O ATOM 0 H ASP A 71 -3.228 3.611 -0.252 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.391 2.264 1.862 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.008 4.525 0.964 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -5.768 3.753 -0.413 1.00 0.00 H new ATOM 1044 N TYR A 72 -5.201 0.998 -1.067 1.00 0.00 N ATOM 1045 CA TYR A 72 -5.804 -0.157 -1.721 1.00 0.00 C ATOM 1046 C TYR A 72 -5.168 -1.454 -1.230 1.00 0.00 C ATOM 1047 O TYR A 72 -5.847 -2.467 -1.061 1.00 0.00 O ATOM 1048 CB TYR A 72 -5.656 -0.046 -3.239 1.00 0.00 C ATOM 1049 CG TYR A 72 -6.533 -1.009 -4.005 1.00 0.00 C ATOM 1050 CD1 TYR A 72 -6.162 -2.339 -4.167 1.00 0.00 C ATOM 1051 CD2 TYR A 72 -7.732 -0.591 -4.569 1.00 0.00 C ATOM 1052 CE1 TYR A 72 -6.960 -3.223 -4.868 1.00 0.00 C ATOM 1053 CE2 TYR A 72 -8.537 -1.468 -5.269 1.00 0.00 C ATOM 1054 CZ TYR A 72 -8.147 -2.783 -5.416 1.00 0.00 C ATOM 1055 OH TYR A 72 -8.945 -3.660 -6.114 1.00 0.00 O ATOM 0 H TYR A 72 -4.738 1.648 -1.702 1.00 0.00 H new ATOM 0 HA TYR A 72 -6.864 -0.174 -1.467 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -5.895 0.972 -3.545 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -4.615 -0.223 -3.508 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -5.234 -2.687 -3.738 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -8.040 0.438 -4.458 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -6.656 -4.253 -4.986 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -9.467 -1.126 -5.699 1.00 0.00 H new ATOM 0 HH TYR A 72 -9.744 -3.192 -6.433 1.00 0.00 H new ATOM 1065 N ALA A 73 -3.859 -1.414 -1.003 1.00 0.00 N ATOM 1066 CA ALA A 73 -3.130 -2.584 -0.529 1.00 0.00 C ATOM 1067 C ALA A 73 -3.373 -2.817 0.959 1.00 0.00 C ATOM 1068 O ALA A 73 -3.285 -3.946 1.442 1.00 0.00 O ATOM 1069 CB ALA A 73 -1.642 -2.426 -0.804 1.00 0.00 C ATOM 0 H ALA A 73 -3.282 -0.584 -1.140 1.00 0.00 H new ATOM 0 HA ALA A 73 -3.498 -3.455 -1.071 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.110 -3.307 -0.445 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.480 -2.316 -1.876 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.269 -1.541 -0.288 1.00 0.00 H new ATOM 1075 N ILE A 74 -3.677 -1.743 1.679 1.00 0.00 N ATOM 1076 CA ILE A 74 -3.932 -1.832 3.111 1.00 0.00 C ATOM 1077 C ILE A 74 -5.318 -2.404 3.388 1.00 0.00 C ATOM 1078 O ILE A 74 -5.621 -2.814 4.509 1.00 0.00 O ATOM 1079 CB ILE A 74 -3.813 -0.455 3.791 1.00 0.00 C ATOM 1080 CG1 ILE A 74 -2.394 0.096 3.630 1.00 0.00 C ATOM 1081 CG2 ILE A 74 -4.184 -0.556 5.263 1.00 0.00 C ATOM 1082 CD1 ILE A 74 -2.303 1.594 3.821 1.00 0.00 C ATOM 0 H ILE A 74 -3.753 -0.801 1.294 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.176 -2.499 3.525 1.00 0.00 H new ATOM 0 HB ILE A 74 -4.507 0.233 3.309 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -1.738 -0.395 4.350 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -2.024 -0.159 2.637 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.095 0.425 5.729 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.211 -0.910 5.356 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.513 -1.256 5.760 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.269 1.915 3.693 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -2.932 2.094 3.084 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -2.642 1.854 4.824 1.00 0.00 H new ATOM 1094 N LYS A 75 -6.158 -2.430 2.359 1.00 0.00 N ATOM 1095 CA LYS A 75 -7.512 -2.955 2.488 1.00 0.00 C ATOM 1096 C LYS A 75 -7.557 -4.437 2.130 1.00 0.00 C ATOM 1097 O LYS A 75 -8.373 -5.190 2.664 1.00 0.00 O ATOM 1098 CB LYS A 75 -8.473 -2.173 1.590 1.00 0.00 C ATOM 1099 CG LYS A 75 -8.646 -2.781 0.209 1.00 0.00 C ATOM 1100 CD LYS A 75 -9.124 -1.750 -0.799 1.00 0.00 C ATOM 1101 CE LYS A 75 -10.641 -1.632 -0.799 1.00 0.00 C ATOM 1102 NZ LYS A 75 -11.101 -0.395 -1.488 1.00 0.00 N ATOM 0 H LYS A 75 -5.924 -2.093 1.425 1.00 0.00 H new ATOM 0 HA LYS A 75 -7.822 -2.840 3.527 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.446 -2.116 2.077 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.108 -1.151 1.485 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.699 -3.205 -0.124 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.362 -3.601 0.259 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.683 -0.781 -0.567 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.779 -2.027 -1.795 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.073 -2.504 -1.291 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.005 -1.632 0.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -12.140 -0.352 -1.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.710 0.438 -1.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.775 -0.406 -2.476 1.00 0.00 H new ATOM 1116 N ILE A 76 -6.677 -4.850 1.224 1.00 0.00 N ATOM 1117 CA ILE A 76 -6.616 -6.242 0.798 1.00 0.00 C ATOM 1118 C ILE A 76 -5.517 -6.997 1.539 1.00 0.00 C ATOM 1119 O ILE A 76 -5.711 -8.134 1.966 1.00 0.00 O ATOM 1120 CB ILE A 76 -6.369 -6.356 -0.718 1.00 0.00 C ATOM 1121 CG1 ILE A 76 -5.090 -5.610 -1.106 1.00 0.00 C ATOM 1122 CG2 ILE A 76 -7.561 -5.813 -1.491 1.00 0.00 C ATOM 1123 CD1 ILE A 76 -4.738 -5.738 -2.572 1.00 0.00 C ATOM 0 H ILE A 76 -5.997 -4.240 0.771 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.582 -6.687 1.035 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.245 -7.408 -0.973 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -5.205 -4.555 -0.859 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -4.262 -5.989 -0.507 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.371 -5.900 -2.561 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -8.453 -6.384 -1.233 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.714 -4.765 -1.234 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.821 -5.185 -2.776 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.591 -6.789 -2.820 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -5.548 -5.332 -3.178 1.00 0.00 H new ATOM 1135 N MET A 77 -4.363 -6.354 1.689 1.00 0.00 N ATOM 1136 CA MET A 77 -3.234 -6.963 2.381 1.00 0.00 C ATOM 1137 C MET A 77 -3.367 -6.795 3.891 1.00 0.00 C ATOM 1138 O MET A 77 -2.386 -6.904 4.626 1.00 0.00 O ATOM 1139 CB MET A 77 -1.920 -6.345 1.901 1.00 0.00 C ATOM 1140 CG MET A 77 -1.807 -6.255 0.388 1.00 0.00 C ATOM 1141 SD MET A 77 -2.365 -7.756 -0.440 1.00 0.00 S ATOM 1142 CE MET A 77 -0.812 -8.401 -1.056 1.00 0.00 C ATOM 0 H MET A 77 -4.186 -5.412 1.341 1.00 0.00 H new ATOM 0 HA MET A 77 -3.231 -8.028 2.151 1.00 0.00 H new ATOM 0 HB2 MET A 77 -1.822 -5.345 2.324 1.00 0.00 H new ATOM 0 HB3 MET A 77 -1.089 -6.936 2.285 1.00 0.00 H new ATOM 0 HG2 MET A 77 -2.395 -5.409 0.033 1.00 0.00 H new ATOM 0 HG3 MET A 77 -0.770 -6.059 0.116 1.00 0.00 H new ATOM 0 HE1 MET A 77 -0.959 -9.418 -1.420 1.00 0.00 H new ATOM 0 HE2 MET A 77 -0.455 -7.772 -1.871 1.00 0.00 H new ATOM 0 HE3 MET A 77 -0.076 -8.406 -0.252 1.00 0.00 H new ATOM 1152 N ASP A 78 -4.586 -6.528 4.347 1.00 0.00 N ATOM 1153 CA ASP A 78 -4.847 -6.345 5.770 1.00 0.00 C ATOM 1154 C ASP A 78 -5.453 -7.607 6.378 1.00 0.00 C ATOM 1155 O ASP A 78 -6.445 -8.134 5.876 1.00 0.00 O ATOM 1156 CB ASP A 78 -5.785 -5.157 5.990 1.00 0.00 C ATOM 1157 CG ASP A 78 -6.653 -5.325 7.221 1.00 0.00 C ATOM 1158 OD1 ASP A 78 -7.461 -6.277 7.253 1.00 0.00 O ATOM 1159 OD2 ASP A 78 -6.524 -4.504 8.153 1.00 0.00 O ATOM 0 H ASP A 78 -5.409 -6.433 3.752 1.00 0.00 H new ATOM 0 HA ASP A 78 -3.897 -6.144 6.265 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -5.195 -4.245 6.086 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -6.422 -5.034 5.114 1.00 0.00 H new ATOM 1164 N MET A 79 -4.848 -8.085 7.461 1.00 0.00 N ATOM 1165 CA MET A 79 -5.329 -9.284 8.136 1.00 0.00 C ATOM 1166 C MET A 79 -5.244 -10.498 7.216 1.00 0.00 C ATOM 1167 O MET A 79 -6.075 -11.403 7.290 1.00 0.00 O ATOM 1168 CB MET A 79 -6.771 -9.087 8.608 1.00 0.00 C ATOM 1169 CG MET A 79 -6.905 -8.103 9.758 1.00 0.00 C ATOM 1170 SD MET A 79 -8.300 -8.480 10.837 1.00 0.00 S ATOM 1171 CE MET A 79 -7.619 -9.815 11.817 1.00 0.00 C ATOM 0 H MET A 79 -4.025 -7.661 7.889 1.00 0.00 H new ATOM 0 HA MET A 79 -4.692 -9.462 9.003 1.00 0.00 H new ATOM 0 HB2 MET A 79 -7.374 -8.738 7.770 1.00 0.00 H new ATOM 0 HB3 MET A 79 -7.179 -10.050 8.915 1.00 0.00 H new ATOM 0 HG2 MET A 79 -5.986 -8.108 10.344 1.00 0.00 H new ATOM 0 HG3 MET A 79 -7.022 -7.096 9.358 1.00 0.00 H new ATOM 0 HE1 MET A 79 -8.358 -10.611 11.912 1.00 0.00 H new ATOM 0 HE2 MET A 79 -6.726 -10.205 11.329 1.00 0.00 H new ATOM 0 HE3 MET A 79 -7.358 -9.443 12.808 1.00 0.00 H new ATOM 1181 N ILE A 80 -4.235 -10.509 6.351 1.00 0.00 N ATOM 1182 CA ILE A 80 -4.043 -11.612 5.418 1.00 0.00 C ATOM 1183 C ILE A 80 -3.388 -12.806 6.105 1.00 0.00 C ATOM 1184 O ILE A 80 -2.731 -12.660 7.136 1.00 0.00 O ATOM 1185 CB ILE A 80 -3.179 -11.188 4.216 1.00 0.00 C ATOM 1186 CG1 ILE A 80 -4.021 -10.410 3.203 1.00 0.00 C ATOM 1187 CG2 ILE A 80 -2.546 -12.407 3.562 1.00 0.00 C ATOM 1188 CD1 ILE A 80 -3.419 -10.376 1.816 1.00 0.00 C ATOM 0 H ILE A 80 -3.539 -9.767 6.277 1.00 0.00 H new ATOM 0 HA ILE A 80 -5.032 -11.899 5.061 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.381 -10.536 4.573 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -5.014 -10.857 3.149 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.151 -9.388 3.559 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -1.938 -12.091 2.714 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.917 -12.923 4.287 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -3.329 -13.082 3.216 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.069 -9.808 1.151 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.438 -9.902 1.857 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.315 -11.394 1.440 1.00 0.00 H new ATOM 1200 N LYS A 81 -3.569 -13.988 5.525 1.00 0.00 N ATOM 1201 CA LYS A 81 -2.993 -15.208 6.078 1.00 0.00 C ATOM 1202 C LYS A 81 -1.883 -15.742 5.179 1.00 0.00 C ATOM 1203 O LYS A 81 -2.132 -16.546 4.279 1.00 0.00 O ATOM 1204 CB LYS A 81 -4.078 -16.273 6.256 1.00 0.00 C ATOM 1205 CG LYS A 81 -4.760 -16.226 7.612 1.00 0.00 C ATOM 1206 CD LYS A 81 -5.293 -17.591 8.015 1.00 0.00 C ATOM 1207 CE LYS A 81 -6.121 -17.512 9.289 1.00 0.00 C ATOM 1208 NZ LYS A 81 -7.350 -16.692 9.101 1.00 0.00 N ATOM 0 H LYS A 81 -4.110 -14.127 4.672 1.00 0.00 H new ATOM 0 HA LYS A 81 -2.564 -14.969 7.051 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -4.829 -16.148 5.476 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -3.634 -17.259 6.116 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.054 -15.874 8.364 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -5.580 -15.508 7.584 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.903 -17.997 7.208 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -4.460 -18.279 8.163 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -6.400 -18.518 9.604 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -5.517 -17.083 10.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -8.027 -16.902 9.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -7.101 -15.683 9.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -7.781 -16.918 8.182 1.00 0.00 H new ATOM 1222 N LEU A 82 -0.658 -15.293 5.428 1.00 0.00 N ATOM 1223 CA LEU A 82 0.491 -15.727 4.641 1.00 0.00 C ATOM 1224 C LEU A 82 1.311 -16.764 5.402 1.00 0.00 C ATOM 1225 O LEU A 82 1.442 -16.692 6.624 1.00 0.00 O ATOM 1226 CB LEU A 82 1.370 -14.529 4.281 1.00 0.00 C ATOM 1227 CG LEU A 82 2.528 -14.809 3.323 1.00 0.00 C ATOM 1228 CD1 LEU A 82 2.007 -15.062 1.917 1.00 0.00 C ATOM 1229 CD2 LEU A 82 3.517 -13.652 3.327 1.00 0.00 C ATOM 0 H LEU A 82 -0.435 -14.628 6.169 1.00 0.00 H new ATOM 0 HA LEU A 82 0.120 -16.185 3.724 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.737 -13.760 3.839 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.779 -14.114 5.202 1.00 0.00 H new ATOM 0 HG LEU A 82 3.047 -15.705 3.664 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.845 -15.259 1.249 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.339 -15.923 1.926 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.463 -14.185 1.567 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.334 -13.870 2.639 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.011 -12.740 3.012 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.915 -13.517 4.333 1.00 0.00 H new ATOM 1241 N TYR A 83 1.861 -17.727 4.671 1.00 0.00 N ATOM 1242 CA TYR A 83 2.669 -18.779 5.277 1.00 0.00 C ATOM 1243 C TYR A 83 2.318 -18.955 6.751 1.00 0.00 C ATOM 1244 O TYR A 83 3.186 -18.886 7.620 1.00 0.00 O ATOM 1245 CB TYR A 83 4.157 -18.458 5.130 1.00 0.00 C ATOM 1246 CG TYR A 83 4.537 -17.965 3.752 1.00 0.00 C ATOM 1247 CD1 TYR A 83 4.134 -18.649 2.612 1.00 0.00 C ATOM 1248 CD2 TYR A 83 5.297 -16.813 3.590 1.00 0.00 C ATOM 1249 CE1 TYR A 83 4.480 -18.203 1.351 1.00 0.00 C ATOM 1250 CE2 TYR A 83 5.646 -16.358 2.333 1.00 0.00 C ATOM 1251 CZ TYR A 83 5.236 -17.057 1.217 1.00 0.00 C ATOM 1252 OH TYR A 83 5.581 -16.608 -0.037 1.00 0.00 O ATOM 0 H TYR A 83 1.762 -17.801 3.658 1.00 0.00 H new ATOM 0 HA TYR A 83 2.453 -19.712 4.757 1.00 0.00 H new ATOM 0 HB2 TYR A 83 4.431 -17.702 5.866 1.00 0.00 H new ATOM 0 HB3 TYR A 83 4.737 -19.352 5.360 1.00 0.00 H new ATOM 0 HD1 TYR A 83 3.540 -19.545 2.713 1.00 0.00 H new ATOM 0 HD2 TYR A 83 5.620 -16.264 4.462 1.00 0.00 H new ATOM 0 HE1 TYR A 83 4.160 -18.748 0.475 1.00 0.00 H new ATOM 0 HE2 TYR A 83 6.236 -15.460 2.225 1.00 0.00 H new ATOM 0 HH TYR A 83 4.887 -16.866 -0.679 1.00 0.00 H new ATOM 1262 N GLY A 84 1.037 -19.183 7.025 1.00 0.00 N ATOM 1263 CA GLY A 84 0.592 -19.366 8.394 1.00 0.00 C ATOM 1264 C GLY A 84 1.018 -18.227 9.299 1.00 0.00 C ATOM 1265 O GLY A 84 1.791 -18.424 10.237 1.00 0.00 O ATOM 0 H GLY A 84 0.300 -19.244 6.323 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -0.494 -19.453 8.411 1.00 0.00 H new ATOM 0 HA3 GLY A 84 0.993 -20.303 8.781 1.00 0.00 H new ATOM 1269 N LYS A 85 0.515 -17.030 9.017 1.00 0.00 N ATOM 1270 CA LYS A 85 0.848 -15.853 9.811 1.00 0.00 C ATOM 1271 C LYS A 85 -0.051 -14.677 9.443 1.00 0.00 C ATOM 1272 O LYS A 85 0.073 -14.082 8.373 1.00 0.00 O ATOM 1273 CB LYS A 85 2.315 -15.472 9.606 1.00 0.00 C ATOM 1274 CG LYS A 85 3.264 -16.162 10.571 1.00 0.00 C ATOM 1275 CD LYS A 85 4.503 -15.322 10.831 1.00 0.00 C ATOM 1276 CE LYS A 85 4.266 -14.307 11.939 1.00 0.00 C ATOM 1277 NZ LYS A 85 4.544 -14.879 13.285 1.00 0.00 N ATOM 0 H LYS A 85 -0.125 -16.849 8.244 1.00 0.00 H new ATOM 0 HA LYS A 85 0.687 -16.096 10.861 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.606 -15.718 8.585 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.420 -14.393 9.716 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.750 -16.355 11.513 1.00 0.00 H new ATOM 0 HG3 LYS A 85 3.558 -17.130 10.164 1.00 0.00 H new ATOM 0 HD2 LYS A 85 5.334 -15.972 11.104 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.791 -14.803 9.916 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.902 -13.437 11.776 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.234 -13.960 11.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.371 -14.156 14.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.920 -15.694 13.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 5.536 -15.187 13.333 1.00 0.00 H new ATOM 1291 N PRO A 86 -0.976 -14.331 10.351 1.00 0.00 N ATOM 1292 CA PRO A 86 -1.911 -13.221 10.144 1.00 0.00 C ATOM 1293 C PRO A 86 -1.218 -11.863 10.188 1.00 0.00 C ATOM 1294 O PRO A 86 -1.196 -11.201 11.226 1.00 0.00 O ATOM 1295 CB PRO A 86 -2.890 -13.360 11.313 1.00 0.00 C ATOM 1296 CG PRO A 86 -2.118 -14.069 12.371 1.00 0.00 C ATOM 1297 CD PRO A 86 -1.179 -14.996 11.649 1.00 0.00 C ATOM 0 HA PRO A 86 -2.386 -13.266 9.164 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -3.234 -12.385 11.660 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.775 -13.926 11.023 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -1.568 -13.362 12.992 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.783 -14.625 13.033 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.240 -15.118 12.189 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -1.609 -15.990 11.528 1.00 0.00 H new ATOM 1305 N ILE A 87 -0.655 -11.455 9.057 1.00 0.00 N ATOM 1306 CA ILE A 87 0.037 -10.175 8.967 1.00 0.00 C ATOM 1307 C ILE A 87 -0.904 -9.018 9.283 1.00 0.00 C ATOM 1308 O ILE A 87 -2.124 -9.184 9.303 1.00 0.00 O ATOM 1309 CB ILE A 87 0.644 -9.960 7.568 1.00 0.00 C ATOM 1310 CG1 ILE A 87 -0.463 -9.869 6.516 1.00 0.00 C ATOM 1311 CG2 ILE A 87 1.611 -11.086 7.231 1.00 0.00 C ATOM 1312 CD1 ILE A 87 -0.004 -9.269 5.205 1.00 0.00 C ATOM 0 H ILE A 87 -0.664 -11.992 8.190 1.00 0.00 H new ATOM 0 HA ILE A 87 0.840 -10.199 9.703 1.00 0.00 H new ATOM 0 HB ILE A 87 1.197 -9.021 7.569 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.859 -10.867 6.330 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.282 -9.270 6.913 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.032 -10.920 6.239 1.00 0.00 H new ATOM 0 HG22 ILE A 87 2.415 -11.108 7.967 1.00 0.00 H new ATOM 0 HG23 ILE A 87 1.080 -12.038 7.245 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.841 -9.236 4.507 1.00 0.00 H new ATOM 0 HD12 ILE A 87 0.365 -8.258 5.377 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.795 -9.880 4.785 1.00 0.00 H new ATOM 1324 N ARG A 88 -0.330 -7.845 9.529 1.00 0.00 N ATOM 1325 CA ARG A 88 -1.118 -6.659 9.844 1.00 0.00 C ATOM 1326 C ARG A 88 -0.610 -5.448 9.068 1.00 0.00 C ATOM 1327 O ARG A 88 0.461 -4.915 9.358 1.00 0.00 O ATOM 1328 CB ARG A 88 -1.069 -6.373 11.346 1.00 0.00 C ATOM 1329 CG ARG A 88 -1.783 -7.417 12.189 1.00 0.00 C ATOM 1330 CD ARG A 88 -3.293 -7.323 12.030 1.00 0.00 C ATOM 1331 NE ARG A 88 -3.849 -6.182 12.751 1.00 0.00 N ATOM 1332 CZ ARG A 88 -5.109 -6.119 13.167 1.00 0.00 C ATOM 1333 NH1 ARG A 88 -5.938 -7.127 12.935 1.00 0.00 N ATOM 1334 NH2 ARG A 88 -5.542 -5.046 13.818 1.00 0.00 N ATOM 0 H ARG A 88 0.678 -7.690 9.516 1.00 0.00 H new ATOM 0 HA ARG A 88 -2.150 -6.850 9.551 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -0.028 -6.314 11.662 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -1.516 -5.397 11.536 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -1.447 -8.412 11.899 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -1.517 -7.283 13.238 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -3.542 -7.239 10.972 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -3.754 -8.241 12.394 1.00 0.00 H new ATOM 0 HE ARG A 88 -3.237 -5.390 12.946 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -5.609 -7.953 12.436 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -6.905 -7.076 13.255 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -4.907 -4.269 13.999 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -6.510 -4.999 14.137 1.00 0.00 H new ATOM 1348 N VAL A 89 -1.387 -5.018 8.078 1.00 0.00 N ATOM 1349 CA VAL A 89 -1.018 -3.869 7.260 1.00 0.00 C ATOM 1350 C VAL A 89 -1.806 -2.628 7.666 1.00 0.00 C ATOM 1351 O VAL A 89 -3.002 -2.703 7.942 1.00 0.00 O ATOM 1352 CB VAL A 89 -1.254 -4.146 5.764 1.00 0.00 C ATOM 1353 CG1 VAL A 89 -0.928 -2.914 4.934 1.00 0.00 C ATOM 1354 CG2 VAL A 89 -0.430 -5.340 5.307 1.00 0.00 C ATOM 0 H VAL A 89 -2.276 -5.449 7.824 1.00 0.00 H new ATOM 0 HA VAL A 89 0.045 -3.691 7.426 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.308 -4.384 5.619 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.101 -3.129 3.880 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.566 -2.087 5.245 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.117 -2.642 5.082 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.609 -5.521 4.247 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.628 -5.134 5.466 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.718 -6.222 5.880 1.00 0.00 H new ATOM 1364 N ASN A 90 -1.125 -1.487 7.701 1.00 0.00 N ATOM 1365 CA ASN A 90 -1.762 -0.229 8.074 1.00 0.00 C ATOM 1366 C ASN A 90 -0.975 0.960 7.531 1.00 0.00 C ATOM 1367 O ASN A 90 0.205 0.840 7.201 1.00 0.00 O ATOM 1368 CB ASN A 90 -1.880 -0.125 9.596 1.00 0.00 C ATOM 1369 CG ASN A 90 -2.311 1.257 10.049 1.00 0.00 C ATOM 1370 OD1 ASN A 90 -3.530 1.644 9.689 1.00 0.00 O flip ATOM 1371 ND2 ASN A 90 -1.558 1.968 10.714 1.00 0.00 N flip ATOM 0 H ASN A 90 -0.133 -1.408 7.476 1.00 0.00 H new ATOM 0 HA ASN A 90 -2.760 -0.212 7.637 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -2.599 -0.862 9.953 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -0.920 -0.370 10.050 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -0.630 1.630 10.968 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -1.862 2.895 11.011 1.00 0.00 H new ATOM 1378 N LYS A 91 -1.637 2.109 7.441 1.00 0.00 N ATOM 1379 CA LYS A 91 -1.002 3.322 6.940 1.00 0.00 C ATOM 1380 C LYS A 91 0.319 3.580 7.659 1.00 0.00 C ATOM 1381 O LYS A 91 0.350 3.751 8.877 1.00 0.00 O ATOM 1382 CB LYS A 91 -1.935 4.522 7.118 1.00 0.00 C ATOM 1383 CG LYS A 91 -2.949 4.675 5.998 1.00 0.00 C ATOM 1384 CD LYS A 91 -2.331 5.323 4.770 1.00 0.00 C ATOM 1385 CE LYS A 91 -2.127 6.817 4.971 1.00 0.00 C ATOM 1386 NZ LYS A 91 -1.341 7.424 3.862 1.00 0.00 N ATOM 0 H LYS A 91 -2.614 2.225 7.709 1.00 0.00 H new ATOM 0 HA LYS A 91 -0.797 3.184 5.878 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -2.465 4.422 8.065 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -1.336 5.431 7.182 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.349 3.696 5.732 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.788 5.278 6.345 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -1.374 4.850 4.551 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.974 5.156 3.906 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -3.097 7.310 5.041 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.613 6.989 5.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -1.224 8.443 4.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -0.406 6.972 3.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -1.843 7.282 2.962 1.00 0.00 H new ATOM 1400 N ALA A 92 1.407 3.610 6.895 1.00 0.00 N ATOM 1401 CA ALA A 92 2.729 3.851 7.459 1.00 0.00 C ATOM 1402 C ALA A 92 2.717 5.060 8.388 1.00 0.00 C ATOM 1403 O ALA A 92 3.271 5.016 9.487 1.00 0.00 O ATOM 1404 CB ALA A 92 3.749 4.048 6.347 1.00 0.00 C ATOM 0 H ALA A 92 1.398 3.470 5.885 1.00 0.00 H new ATOM 0 HA ALA A 92 3.012 2.977 8.046 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.732 4.227 6.783 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.785 3.154 5.724 1.00 0.00 H new ATOM 0 HB3 ALA A 92 3.461 4.904 5.737 1.00 0.00 H new