USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 877 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 16 HIS : no HE2:sc= 0 K(o=-0.31,f=-1.3) USER MOD Set 1.2: A 114 MET CE :methyl -158:sc= -0.307 (180deg=-1.08) USER MOD Set 2.1: A 85 THR OG1 : rot 130:sc= 0.0033 USER MOD Set 2.2: A 123 GLN : amide:sc= -0.416 X(o=-0.41,f=0.043) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.79 K(o=-0.79,f=-0.018) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 73:sc= 1.23 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.176 K(o=-0.18,f=-3.7!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 82:sc= 2.8 USER MOD Single : A 40 TYR OH : rot -90:sc= 1.06 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.123 X(o=-0.12,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.0755 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0576 USER MOD Single : A 59 ASN : amide:sc= 0.0161 K(o=0.016,f=-3.5!) USER MOD Single : A 60 THR OG1 : rot 74:sc= 1.24 USER MOD Single : A 67 SER OG : rot 180:sc= -0.241 USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ -116:sc= 0.234 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.903! X(o=-0.9!,f=-0.72) USER MOD Single : A 82 CYS SG : rot 154:sc= 0.689 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -0.102 K(o=-0.1,f=-0.88) USER MOD Single : A 90 GLN : amide:sc= -2.22! K(o=-2.2!,f=-1.5) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 ASN : amide:sc= -0.0348 X(o=-0.035,f=0) USER MOD Single : A 100 MET CE :methyl -160:sc= -0.409 (180deg=-0.803) USER MOD Single : A 102 THR OG1 : rot -76:sc= 1.53 USER MOD Single : A 113 GLN : amide:sc= -6.74! C(o=-6.7!,f=-4.1!) USER MOD Single : A 115 GLN : amide:sc= -0.559 K(o=-0.56,f=-3.4!) USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= -0.857 K(o=-0.86,f=-1.7) USER MOD Single : A 129 THR OG1 : rot -81:sc= 0.567 USER MOD Single : A 130 LYS NZ :NH3+ 170:sc=-0.00363 (180deg=-0.104) USER MOD Single : A 134 LYS NZ :NH3+ -159:sc= -0.13 (180deg=-0.633) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 3.183 9.211 2.607 1.00 0.00 N ATOM 2 CA PRO A 1 4.078 8.488 1.733 1.00 0.00 C ATOM 3 C PRO A 1 5.497 8.970 1.978 1.00 0.00 C ATOM 4 O PRO A 1 5.722 9.802 2.814 1.00 0.00 O ATOM 5 CB PRO A 1 3.665 8.732 0.293 1.00 0.00 C ATOM 6 CG PRO A 1 2.578 9.765 0.380 1.00 0.00 C ATOM 7 CD PRO A 1 2.455 10.208 1.836 1.00 0.00 C ATOM 0 H2 PRO A 1 3.711 9.662 3.354 1.00 0.00 H new ATOM 0 H3 PRO A 1 2.530 8.566 3.051 1.00 0.00 H new ATOM 0 HA PRO A 1 4.031 7.417 1.933 1.00 0.00 H new ATOM 0 HB2 PRO A 1 4.504 9.089 -0.305 1.00 0.00 H new ATOM 0 HB3 PRO A 1 3.305 7.817 -0.177 1.00 0.00 H new ATOM 0 HG2 PRO A 1 2.812 10.617 -0.258 1.00 0.00 H new ATOM 0 HG3 PRO A 1 1.633 9.353 0.027 1.00 0.00 H new ATOM 0 HD2 PRO A 1 2.878 11.202 1.981 1.00 0.00 H new ATOM 0 HD3 PRO A 1 1.411 10.257 2.145 1.00 0.00 H new ATOM 17 N VAL A 2 6.430 8.427 1.279 1.00 0.00 N ATOM 18 CA VAL A 2 7.818 8.821 1.365 1.00 0.00 C ATOM 19 C VAL A 2 8.181 9.499 0.067 1.00 0.00 C ATOM 20 O VAL A 2 7.714 9.089 -0.994 1.00 0.00 O ATOM 21 CB VAL A 2 8.753 7.584 1.600 1.00 0.00 C ATOM 22 CG1 VAL A 2 10.230 7.979 1.616 1.00 0.00 C ATOM 23 CG2 VAL A 2 8.390 6.877 2.899 1.00 0.00 C ATOM 0 H VAL A 2 6.259 7.676 0.610 1.00 0.00 H new ATOM 0 HA VAL A 2 7.954 9.494 2.212 1.00 0.00 H new ATOM 0 HB VAL A 2 8.599 6.901 0.764 1.00 0.00 H new ATOM 0 HG11 VAL A 2 10.842 7.092 1.781 1.00 0.00 H new ATOM 0 HG12 VAL A 2 10.496 8.430 0.660 1.00 0.00 H new ATOM 0 HG13 VAL A 2 10.406 8.696 2.418 1.00 0.00 H new ATOM 0 HG21 VAL A 2 9.050 6.022 3.044 1.00 0.00 H new ATOM 0 HG22 VAL A 2 8.503 7.569 3.734 1.00 0.00 H new ATOM 0 HG23 VAL A 2 7.357 6.534 2.850 1.00 0.00 H new ATOM 33 N THR A 3 8.956 10.532 0.141 1.00 0.00 N ATOM 34 CA THR A 3 9.361 11.224 -1.031 1.00 0.00 C ATOM 35 C THR A 3 10.883 11.336 -1.044 1.00 0.00 C ATOM 36 O THR A 3 11.524 11.505 0.022 1.00 0.00 O ATOM 37 CB THR A 3 8.661 12.626 -1.136 1.00 0.00 C ATOM 38 OG1 THR A 3 8.940 13.249 -2.394 1.00 0.00 O ATOM 39 CG2 THR A 3 9.083 13.554 -0.006 1.00 0.00 C ATOM 0 H THR A 3 9.323 10.915 1.012 1.00 0.00 H new ATOM 0 HA THR A 3 9.048 10.662 -1.911 1.00 0.00 H new ATOM 0 HB THR A 3 7.589 12.448 -1.055 1.00 0.00 H new ATOM 0 HG1 THR A 3 8.491 14.119 -2.435 1.00 0.00 H new ATOM 0 HG21 THR A 3 8.577 14.513 -0.115 1.00 0.00 H new ATOM 0 HG22 THR A 3 8.813 13.108 0.951 1.00 0.00 H new ATOM 0 HG23 THR A 3 10.162 13.707 -0.044 1.00 0.00 H new ATOM 228 N HIS A 16 10.472 11.475 5.023 1.00 0.00 N ATOM 229 CA HIS A 16 9.330 10.693 5.389 1.00 0.00 C ATOM 230 C HIS A 16 8.182 11.649 5.516 1.00 0.00 C ATOM 231 O HIS A 16 8.311 12.699 6.140 1.00 0.00 O ATOM 232 CB HIS A 16 9.489 9.983 6.756 1.00 0.00 C ATOM 233 CG HIS A 16 10.624 9.010 6.887 1.00 0.00 C ATOM 234 ND1 HIS A 16 11.728 9.247 7.670 1.00 0.00 N ATOM 235 CD2 HIS A 16 10.792 7.771 6.386 1.00 0.00 C ATOM 236 CE1 HIS A 16 12.521 8.205 7.646 1.00 0.00 C ATOM 237 NE2 HIS A 16 11.983 7.291 6.874 1.00 0.00 N ATOM 0 HA HIS A 16 9.187 9.922 4.632 1.00 0.00 H new ATOM 0 HB2 HIS A 16 9.607 10.748 7.524 1.00 0.00 H new ATOM 0 HB3 HIS A 16 8.561 9.454 6.973 1.00 0.00 H new ATOM 0 HD1 HIS A 16 11.904 10.106 8.192 1.00 0.00 H new ATOM 0 HD2 HIS A 16 10.116 7.251 5.723 1.00 0.00 H new ATOM 0 HE1 HIS A 16 13.459 8.114 8.173 1.00 0.00 H new ATOM 246 N ASN A 17 7.115 11.355 4.879 1.00 0.00 N ATOM 247 CA ASN A 17 5.932 12.129 5.043 1.00 0.00 C ATOM 248 C ASN A 17 4.954 11.251 5.723 1.00 0.00 C ATOM 249 O ASN A 17 4.964 10.026 5.506 1.00 0.00 O ATOM 250 CB ASN A 17 5.358 12.604 3.699 1.00 0.00 C ATOM 251 CG ASN A 17 6.246 13.561 2.926 1.00 0.00 C ATOM 252 OD1 ASN A 17 6.208 13.582 1.701 1.00 0.00 O ATOM 253 ND2 ASN A 17 7.045 14.352 3.613 1.00 0.00 N ATOM 0 H ASN A 17 7.029 10.574 4.229 1.00 0.00 H new ATOM 0 HA ASN A 17 6.153 13.028 5.619 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.161 11.731 3.076 1.00 0.00 H new ATOM 0 HB3 ASN A 17 4.399 13.089 3.881 1.00 0.00 H new ATOM 0 HD21 ASN A 17 7.656 15.007 3.126 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.052 14.309 4.632 1.00 0.00 H new ATOM 260 N GLY A 18 4.152 11.811 6.558 1.00 0.00 N ATOM 261 CA GLY A 18 3.174 11.034 7.226 1.00 0.00 C ATOM 262 C GLY A 18 1.980 10.799 6.351 1.00 0.00 C ATOM 263 O GLY A 18 2.104 10.562 5.135 1.00 0.00 O ATOM 0 H GLY A 18 4.155 12.803 6.794 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.605 10.078 7.522 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.865 11.541 8.140 1.00 0.00 H new ATOM 267 N PHE A 19 0.848 10.909 6.927 1.00 0.00 N ATOM 268 CA PHE A 19 -0.366 10.648 6.225 1.00 0.00 C ATOM 269 C PHE A 19 -0.816 11.938 5.627 1.00 0.00 C ATOM 270 O PHE A 19 -1.138 12.877 6.362 1.00 0.00 O ATOM 271 CB PHE A 19 -1.397 10.106 7.211 1.00 0.00 C ATOM 272 CG PHE A 19 -0.801 9.049 8.106 1.00 0.00 C ATOM 273 CD1 PHE A 19 -0.212 7.909 7.568 1.00 0.00 C ATOM 274 CD2 PHE A 19 -0.768 9.231 9.479 1.00 0.00 C ATOM 275 CE1 PHE A 19 0.384 6.974 8.388 1.00 0.00 C ATOM 276 CE2 PHE A 19 -0.167 8.300 10.299 1.00 0.00 C ATOM 277 CZ PHE A 19 0.408 7.172 9.754 1.00 0.00 C ATOM 0 H PHE A 19 0.725 11.183 7.902 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.231 9.907 5.437 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.785 10.923 7.819 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.241 9.687 6.663 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.222 7.755 6.499 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.218 10.112 9.912 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.831 6.088 7.962 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.147 8.454 11.368 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.878 6.442 10.397 1.00 0.00 H new ATOM 287 N ASP A 20 -0.794 12.030 4.319 1.00 0.00 N ATOM 288 CA ASP A 20 -1.165 13.257 3.660 1.00 0.00 C ATOM 289 C ASP A 20 -2.662 13.365 3.717 1.00 0.00 C ATOM 290 O ASP A 20 -3.372 12.477 3.218 1.00 0.00 O ATOM 291 CB ASP A 20 -0.708 13.240 2.212 1.00 0.00 C ATOM 292 CG ASP A 20 -0.673 14.624 1.614 1.00 0.00 C ATOM 293 OD1 ASP A 20 -1.709 15.104 1.120 1.00 0.00 O ATOM 294 OD2 ASP A 20 0.409 15.258 1.639 1.00 0.00 O ATOM 0 H ASP A 20 -0.524 11.272 3.692 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.694 14.107 4.153 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.284 12.793 2.150 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -1.378 12.610 1.628 1.00 0.00 H new ATOM 299 N PHE A 21 -3.144 14.414 4.328 1.00 0.00 N ATOM 300 CA PHE A 21 -4.552 14.551 4.609 1.00 0.00 C ATOM 301 C PHE A 21 -5.392 14.640 3.358 1.00 0.00 C ATOM 302 O PHE A 21 -6.429 14.023 3.295 1.00 0.00 O ATOM 303 CB PHE A 21 -4.829 15.736 5.515 1.00 0.00 C ATOM 304 CG PHE A 21 -6.177 15.674 6.145 1.00 0.00 C ATOM 305 CD1 PHE A 21 -6.442 14.705 7.092 1.00 0.00 C ATOM 306 CD2 PHE A 21 -7.176 16.575 5.803 1.00 0.00 C ATOM 307 CE1 PHE A 21 -7.669 14.629 7.690 1.00 0.00 C ATOM 308 CE2 PHE A 21 -8.418 16.502 6.400 1.00 0.00 C ATOM 309 CZ PHE A 21 -8.665 15.526 7.349 1.00 0.00 C ATOM 0 H PHE A 21 -2.574 15.198 4.646 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.842 13.639 5.131 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.069 15.777 6.295 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -4.744 16.657 4.938 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.671 13.999 7.363 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -6.980 17.338 5.065 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -7.861 13.867 8.431 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -9.193 17.203 6.128 1.00 0.00 H new ATOM 0 HZ PHE A 21 -9.634 15.465 7.823 1.00 0.00 H new ATOM 319 N ALA A 22 -4.924 15.379 2.355 1.00 0.00 N ATOM 320 CA ALA A 22 -5.665 15.552 1.089 1.00 0.00 C ATOM 321 C ALA A 22 -5.957 14.191 0.441 1.00 0.00 C ATOM 322 O ALA A 22 -7.030 13.971 -0.153 1.00 0.00 O ATOM 323 CB ALA A 22 -4.875 16.434 0.133 1.00 0.00 C ATOM 0 H ALA A 22 -4.032 15.873 2.386 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.616 16.037 1.310 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.432 16.554 -0.796 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.714 17.411 0.588 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.912 15.970 -0.079 1.00 0.00 H new ATOM 329 N VAL A 23 -5.008 13.298 0.598 1.00 0.00 N ATOM 330 CA VAL A 23 -5.085 11.936 0.107 1.00 0.00 C ATOM 331 C VAL A 23 -6.133 11.144 0.916 1.00 0.00 C ATOM 332 O VAL A 23 -7.095 10.615 0.343 1.00 0.00 O ATOM 333 CB VAL A 23 -3.690 11.264 0.229 1.00 0.00 C ATOM 334 CG1 VAL A 23 -3.712 9.809 -0.199 1.00 0.00 C ATOM 335 CG2 VAL A 23 -2.667 12.031 -0.585 1.00 0.00 C ATOM 0 H VAL A 23 -4.135 13.502 1.084 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.387 11.943 -0.940 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.411 11.288 1.282 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.714 9.384 -0.095 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.409 9.255 0.430 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.029 9.741 -1.240 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.693 11.550 -0.492 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.968 12.040 -1.633 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.603 13.055 -0.217 1.00 0.00 H new ATOM 345 N ILE A 24 -5.924 11.107 2.225 1.00 0.00 N ATOM 346 CA ILE A 24 -6.819 10.393 3.173 1.00 0.00 C ATOM 347 C ILE A 24 -8.268 10.845 2.968 1.00 0.00 C ATOM 348 O ILE A 24 -9.183 10.039 2.767 1.00 0.00 O ATOM 349 CB ILE A 24 -6.424 10.693 4.659 1.00 0.00 C ATOM 350 CG1 ILE A 24 -4.970 10.286 4.972 1.00 0.00 C ATOM 351 CG2 ILE A 24 -7.386 10.023 5.643 1.00 0.00 C ATOM 352 CD1 ILE A 24 -4.666 8.801 4.823 1.00 0.00 C ATOM 0 H ILE A 24 -5.133 11.566 2.676 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.718 9.325 2.978 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.499 11.773 4.783 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.304 10.845 4.315 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.737 10.588 5.993 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -7.081 10.253 6.664 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.397 10.395 5.474 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -7.366 8.944 5.493 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.619 8.618 5.065 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.301 8.230 5.501 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.860 8.491 3.796 1.00 0.00 H new ATOM 364 N LYS A 25 -8.425 12.139 2.976 1.00 0.00 N ATOM 365 CA LYS A 25 -9.683 12.833 2.812 1.00 0.00 C ATOM 366 C LYS A 25 -10.410 12.421 1.533 1.00 0.00 C ATOM 367 O LYS A 25 -11.575 12.008 1.578 1.00 0.00 O ATOM 368 CB LYS A 25 -9.380 14.332 2.788 1.00 0.00 C ATOM 369 CG LYS A 25 -10.461 15.221 2.232 1.00 0.00 C ATOM 370 CD LYS A 25 -9.892 16.592 1.969 1.00 0.00 C ATOM 371 CE LYS A 25 -10.824 17.424 1.116 1.00 0.00 C ATOM 372 NZ LYS A 25 -10.236 18.736 0.797 1.00 0.00 N ATOM 0 H LYS A 25 -7.640 12.777 3.104 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.345 12.575 3.639 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.162 14.654 3.806 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.473 14.489 2.204 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.858 14.797 1.310 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.291 15.288 2.936 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.712 17.101 2.916 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.927 16.497 1.470 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.048 16.890 0.192 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.769 17.565 1.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.900 19.281 0.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.045 19.255 1.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.346 18.600 0.276 1.00 0.00 H new ATOM 386 N GLU A 26 -9.726 12.509 0.403 1.00 0.00 N ATOM 387 CA GLU A 26 -10.363 12.256 -0.872 1.00 0.00 C ATOM 388 C GLU A 26 -10.709 10.788 -1.049 1.00 0.00 C ATOM 389 O GLU A 26 -11.796 10.455 -1.545 1.00 0.00 O ATOM 390 CB GLU A 26 -9.503 12.737 -2.015 1.00 0.00 C ATOM 391 CG GLU A 26 -10.208 12.728 -3.347 1.00 0.00 C ATOM 392 CD GLU A 26 -9.317 13.142 -4.461 1.00 0.00 C ATOM 393 OE1 GLU A 26 -8.941 14.323 -4.519 1.00 0.00 O ATOM 394 OE2 GLU A 26 -9.001 12.306 -5.322 1.00 0.00 O ATOM 0 H GLU A 26 -8.737 12.752 0.346 1.00 0.00 H new ATOM 0 HA GLU A 26 -11.296 12.820 -0.880 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.162 13.750 -1.801 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.615 12.109 -2.079 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.592 11.727 -3.545 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.068 13.397 -3.305 1.00 0.00 H new ATOM 401 N LEU A 27 -9.821 9.913 -0.604 1.00 0.00 N ATOM 402 CA LEU A 27 -10.060 8.488 -0.744 1.00 0.00 C ATOM 403 C LEU A 27 -11.227 8.081 0.178 1.00 0.00 C ATOM 404 O LEU A 27 -12.051 7.257 -0.186 1.00 0.00 O ATOM 405 CB LEU A 27 -8.758 7.656 -0.511 1.00 0.00 C ATOM 406 CG LEU A 27 -8.793 6.178 -0.933 1.00 0.00 C ATOM 407 CD1 LEU A 27 -9.359 6.037 -2.320 1.00 0.00 C ATOM 408 CD2 LEU A 27 -7.380 5.598 -0.907 1.00 0.00 C ATOM 0 H LEU A 27 -8.942 10.160 -0.150 1.00 0.00 H new ATOM 0 HA LEU A 27 -10.353 8.263 -1.769 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.944 8.143 -1.047 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.512 7.700 0.550 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.428 5.636 -0.233 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.376 4.984 -2.601 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.374 6.434 -2.341 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -8.738 6.591 -3.024 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.411 4.551 -1.207 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.746 6.154 -1.597 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.974 5.675 0.102 1.00 0.00 H new ATOM 420 N LYS A 28 -11.329 8.749 1.333 1.00 0.00 N ATOM 421 CA LYS A 28 -12.437 8.527 2.275 1.00 0.00 C ATOM 422 C LYS A 28 -13.749 9.089 1.689 1.00 0.00 C ATOM 423 O LYS A 28 -14.862 8.546 1.910 1.00 0.00 O ATOM 424 CB LYS A 28 -12.141 9.212 3.611 1.00 0.00 C ATOM 425 CG LYS A 28 -13.142 8.881 4.703 1.00 0.00 C ATOM 426 CD LYS A 28 -12.895 9.660 5.983 1.00 0.00 C ATOM 427 CE LYS A 28 -13.078 11.156 5.791 1.00 0.00 C ATOM 428 NZ LYS A 28 -12.934 11.873 7.066 1.00 0.00 N ATOM 0 H LYS A 28 -10.656 9.451 1.640 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.544 7.455 2.439 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -11.144 8.922 3.944 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -12.126 10.291 3.460 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.149 9.092 4.343 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -13.098 7.813 4.918 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -13.578 9.309 6.757 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.883 9.462 6.337 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.343 11.527 5.076 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -14.063 11.354 5.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.063 12.893 6.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.651 11.533 7.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.985 11.701 7.456 1.00 0.00 H new ATOM 442 N THR A 29 -13.625 10.179 0.948 1.00 0.00 N ATOM 443 CA THR A 29 -14.758 10.769 0.281 1.00 0.00 C ATOM 444 C THR A 29 -15.320 9.745 -0.712 1.00 0.00 C ATOM 445 O THR A 29 -16.526 9.456 -0.727 1.00 0.00 O ATOM 446 CB THR A 29 -14.360 12.082 -0.453 1.00 0.00 C ATOM 447 OG1 THR A 29 -13.822 13.037 0.496 1.00 0.00 O ATOM 448 CG2 THR A 29 -15.560 12.702 -1.167 1.00 0.00 C ATOM 0 H THR A 29 -12.743 10.670 0.798 1.00 0.00 H new ATOM 0 HA THR A 29 -15.517 11.031 1.018 1.00 0.00 H new ATOM 0 HB THR A 29 -13.603 11.833 -1.197 1.00 0.00 H new ATOM 0 HG1 THR A 29 -12.929 12.750 0.778 1.00 0.00 H new ATOM 0 HG21 THR A 29 -15.250 13.618 -1.670 1.00 0.00 H new ATOM 0 HG22 THR A 29 -15.950 11.998 -1.902 1.00 0.00 H new ATOM 0 HG23 THR A 29 -16.337 12.933 -0.439 1.00 0.00 H new ATOM 456 N ALA A 30 -14.431 9.156 -1.515 1.00 0.00 N ATOM 457 CA ALA A 30 -14.804 8.144 -2.437 1.00 0.00 C ATOM 458 C ALA A 30 -15.343 6.906 -1.719 1.00 0.00 C ATOM 459 O ALA A 30 -16.214 6.258 -2.198 1.00 0.00 O ATOM 460 CB ALA A 30 -13.642 7.807 -3.347 1.00 0.00 C ATOM 0 H ALA A 30 -13.437 9.385 -1.525 1.00 0.00 H new ATOM 0 HA ALA A 30 -15.615 8.526 -3.057 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -13.943 7.029 -4.049 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -13.342 8.698 -3.899 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -12.803 7.451 -2.749 1.00 0.00 H new ATOM 466 N ALA A 31 -14.775 6.578 -0.603 1.00 0.00 N ATOM 467 CA ALA A 31 -15.241 5.450 0.199 1.00 0.00 C ATOM 468 C ALA A 31 -16.730 5.521 0.542 1.00 0.00 C ATOM 469 O ALA A 31 -17.422 4.501 0.508 1.00 0.00 O ATOM 470 CB ALA A 31 -14.512 5.414 1.495 1.00 0.00 C ATOM 0 H ALA A 31 -13.975 7.072 -0.207 1.00 0.00 H new ATOM 0 HA ALA A 31 -15.058 4.565 -0.410 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -14.865 4.570 2.088 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.444 5.305 1.309 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -14.692 6.341 2.040 1.00 0.00 H new ATOM 476 N SER A 32 -17.226 6.707 0.871 1.00 0.00 N ATOM 477 CA SER A 32 -18.575 6.785 1.382 1.00 0.00 C ATOM 478 C SER A 32 -19.554 6.854 0.267 1.00 0.00 C ATOM 479 O SER A 32 -20.638 6.244 0.284 1.00 0.00 O ATOM 480 CB SER A 32 -18.724 7.978 2.322 1.00 0.00 C ATOM 481 OG SER A 32 -18.259 9.186 1.712 1.00 0.00 O ATOM 0 H SER A 32 -16.730 7.595 0.795 1.00 0.00 H new ATOM 0 HA SER A 32 -18.782 5.880 1.953 1.00 0.00 H new ATOM 0 HB2 SER A 32 -19.770 8.091 2.605 1.00 0.00 H new ATOM 0 HB3 SER A 32 -18.164 7.793 3.239 1.00 0.00 H new ATOM 0 HG SER A 32 -18.369 9.932 2.338 1.00 0.00 H new ATOM 487 N GLN A 33 -19.149 7.575 -0.718 1.00 0.00 N ATOM 488 CA GLN A 33 -19.898 7.962 -1.806 1.00 0.00 C ATOM 489 C GLN A 33 -19.786 6.985 -3.010 1.00 0.00 C ATOM 490 O GLN A 33 -20.784 6.515 -3.528 1.00 0.00 O ATOM 491 CB GLN A 33 -19.331 9.323 -2.104 1.00 0.00 C ATOM 492 CG GLN A 33 -19.610 9.854 -3.408 1.00 0.00 C ATOM 493 CD GLN A 33 -21.061 10.253 -3.630 1.00 0.00 C ATOM 494 OE1 GLN A 33 -22.001 9.694 -3.049 1.00 0.00 O ATOM 495 NE2 GLN A 33 -21.246 11.217 -4.440 1.00 0.00 N ATOM 0 H GLN A 33 -18.193 7.929 -0.763 1.00 0.00 H new ATOM 0 HA GLN A 33 -20.970 7.967 -1.609 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -19.712 10.023 -1.360 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -18.249 9.279 -1.976 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -18.977 10.726 -3.574 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -19.332 9.111 -4.156 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -20.449 11.655 -4.902 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -22.191 11.551 -4.627 1.00 0.00 H new ATOM 504 N TYR A 34 -18.570 6.687 -3.420 1.00 0.00 N ATOM 505 CA TYR A 34 -18.283 5.875 -4.605 1.00 0.00 C ATOM 506 C TYR A 34 -18.227 4.370 -4.268 1.00 0.00 C ATOM 507 O TYR A 34 -18.788 3.542 -4.984 1.00 0.00 O ATOM 508 CB TYR A 34 -16.933 6.353 -5.216 1.00 0.00 C ATOM 509 CG TYR A 34 -16.990 7.653 -5.991 1.00 0.00 C ATOM 510 CD1 TYR A 34 -16.939 8.877 -5.348 1.00 0.00 C ATOM 511 CD2 TYR A 34 -17.048 7.649 -7.375 1.00 0.00 C ATOM 512 CE1 TYR A 34 -16.943 10.057 -6.053 1.00 0.00 C ATOM 513 CE2 TYR A 34 -17.064 8.828 -8.090 1.00 0.00 C ATOM 514 CZ TYR A 34 -17.008 10.027 -7.419 1.00 0.00 C ATOM 515 OH TYR A 34 -16.996 11.204 -8.121 1.00 0.00 O ATOM 0 H TYR A 34 -17.731 7.005 -2.935 1.00 0.00 H new ATOM 0 HA TYR A 34 -19.088 6.005 -5.328 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -16.208 6.463 -4.409 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -16.557 5.572 -5.878 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -16.895 8.906 -4.269 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -17.081 6.707 -7.903 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -16.895 11.002 -5.532 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -17.120 8.810 -9.168 1.00 0.00 H new ATOM 0 HH TYR A 34 -17.047 11.013 -9.081 1.00 0.00 H new ATOM 525 N GLY A 35 -17.623 4.041 -3.123 1.00 0.00 N ATOM 526 CA GLY A 35 -17.409 2.632 -2.780 1.00 0.00 C ATOM 527 C GLY A 35 -16.290 2.020 -3.605 1.00 0.00 C ATOM 528 O GLY A 35 -16.027 2.475 -4.722 1.00 0.00 O ATOM 0 H GLY A 35 -17.281 4.711 -2.434 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -17.169 2.547 -1.720 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -18.330 2.073 -2.944 1.00 0.00 H new ATOM 532 N ALA A 36 -15.674 0.951 -3.133 1.00 0.00 N ATOM 533 CA ALA A 36 -14.526 0.444 -3.850 1.00 0.00 C ATOM 534 C ALA A 36 -14.947 -0.529 -4.918 1.00 0.00 C ATOM 535 O ALA A 36 -15.168 -1.689 -4.653 1.00 0.00 O ATOM 536 CB ALA A 36 -13.447 -0.120 -2.952 1.00 0.00 C ATOM 0 H ALA A 36 -15.937 0.437 -2.292 1.00 0.00 H new ATOM 0 HA ALA A 36 -14.063 1.302 -4.338 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -12.618 -0.481 -3.561 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -13.090 0.659 -2.279 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -13.854 -0.945 -2.368 1.00 0.00 H new ATOM 542 N THR A 37 -15.022 -0.007 -6.113 1.00 0.00 N ATOM 543 CA THR A 37 -15.515 -0.644 -7.332 1.00 0.00 C ATOM 544 C THR A 37 -15.721 0.442 -8.357 1.00 0.00 C ATOM 545 O THR A 37 -15.493 0.246 -9.550 1.00 0.00 O ATOM 546 CB THR A 37 -16.793 -1.545 -7.138 1.00 0.00 C ATOM 547 OG1 THR A 37 -16.374 -2.856 -6.739 1.00 0.00 O ATOM 548 CG2 THR A 37 -17.636 -1.675 -8.403 1.00 0.00 C ATOM 0 H THR A 37 -14.719 0.951 -6.286 1.00 0.00 H new ATOM 0 HA THR A 37 -14.767 -1.360 -7.672 1.00 0.00 H new ATOM 0 HB THR A 37 -17.412 -1.064 -6.381 1.00 0.00 H new ATOM 0 HG1 THR A 37 -16.197 -2.864 -5.775 1.00 0.00 H new ATOM 0 HG21 THR A 37 -18.500 -2.308 -8.201 1.00 0.00 H new ATOM 0 HG22 THR A 37 -17.975 -0.688 -8.718 1.00 0.00 H new ATOM 0 HG23 THR A 37 -17.036 -2.122 -9.196 1.00 0.00 H new ATOM 556 N ALA A 38 -16.114 1.609 -7.873 1.00 0.00 N ATOM 557 CA ALA A 38 -16.186 2.768 -8.711 1.00 0.00 C ATOM 558 C ALA A 38 -14.763 3.112 -9.128 1.00 0.00 C ATOM 559 O ALA A 38 -13.892 3.248 -8.257 1.00 0.00 O ATOM 560 CB ALA A 38 -16.812 3.923 -7.959 1.00 0.00 C ATOM 0 H ALA A 38 -16.386 1.767 -6.903 1.00 0.00 H new ATOM 0 HA ALA A 38 -16.805 2.573 -9.587 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -16.860 4.797 -8.609 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -17.819 3.649 -7.644 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -16.208 4.156 -7.082 1.00 0.00 H new ATOM 566 N PRO A 39 -14.503 3.241 -10.446 1.00 0.00 N ATOM 567 CA PRO A 39 -13.146 3.458 -11.015 1.00 0.00 C ATOM 568 C PRO A 39 -12.338 4.537 -10.309 1.00 0.00 C ATOM 569 O PRO A 39 -11.126 4.445 -10.220 1.00 0.00 O ATOM 570 CB PRO A 39 -13.447 3.896 -12.439 1.00 0.00 C ATOM 571 CG PRO A 39 -14.690 3.167 -12.778 1.00 0.00 C ATOM 572 CD PRO A 39 -15.523 3.184 -11.527 1.00 0.00 C ATOM 0 HA PRO A 39 -12.535 2.560 -10.920 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -13.586 4.975 -12.505 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -12.634 3.637 -13.117 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -15.214 3.648 -13.604 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -14.473 2.146 -13.090 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -16.190 4.046 -11.498 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -16.148 2.294 -11.446 1.00 0.00 H new ATOM 580 N TYR A 40 -13.028 5.515 -9.771 1.00 0.00 N ATOM 581 CA TYR A 40 -12.399 6.642 -9.126 1.00 0.00 C ATOM 582 C TYR A 40 -11.537 6.210 -7.919 1.00 0.00 C ATOM 583 O TYR A 40 -10.323 6.379 -7.933 1.00 0.00 O ATOM 584 CB TYR A 40 -13.463 7.656 -8.697 1.00 0.00 C ATOM 585 CG TYR A 40 -12.883 8.942 -8.184 1.00 0.00 C ATOM 586 CD1 TYR A 40 -12.265 9.817 -9.063 1.00 0.00 C ATOM 587 CD2 TYR A 40 -12.934 9.286 -6.830 1.00 0.00 C ATOM 588 CE1 TYR A 40 -11.714 10.988 -8.630 1.00 0.00 C ATOM 589 CE2 TYR A 40 -12.375 10.480 -6.388 1.00 0.00 C ATOM 590 CZ TYR A 40 -11.762 11.322 -7.305 1.00 0.00 C ATOM 591 OH TYR A 40 -11.187 12.512 -6.889 1.00 0.00 O ATOM 0 H TYR A 40 -14.047 5.551 -9.769 1.00 0.00 H new ATOM 0 HA TYR A 40 -11.727 7.109 -9.846 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -14.113 7.871 -9.545 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -14.087 7.212 -7.922 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -12.218 9.567 -10.113 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -13.410 8.621 -6.124 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -11.239 11.653 -9.336 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -12.417 10.749 -5.343 1.00 0.00 H new ATOM 0 HH TYR A 40 -10.251 12.355 -6.644 1.00 0.00 H new ATOM 601 N THR A 41 -12.171 5.631 -6.895 1.00 0.00 N ATOM 602 CA THR A 41 -11.505 5.262 -5.663 1.00 0.00 C ATOM 603 C THR A 41 -10.314 4.319 -5.862 1.00 0.00 C ATOM 604 O THR A 41 -9.259 4.542 -5.278 1.00 0.00 O ATOM 605 CB THR A 41 -12.500 4.703 -4.611 1.00 0.00 C ATOM 606 OG1 THR A 41 -11.830 4.316 -3.419 1.00 0.00 O ATOM 607 CG2 THR A 41 -13.269 3.542 -5.147 1.00 0.00 C ATOM 0 H THR A 41 -13.166 5.408 -6.907 1.00 0.00 H new ATOM 0 HA THR A 41 -11.088 6.191 -5.273 1.00 0.00 H new ATOM 0 HB THR A 41 -13.197 5.509 -4.380 1.00 0.00 H new ATOM 0 HG1 THR A 41 -12.482 3.970 -2.775 1.00 0.00 H new ATOM 0 HG21 THR A 41 -13.956 3.177 -4.383 1.00 0.00 H new ATOM 0 HG22 THR A 41 -13.835 3.854 -6.024 1.00 0.00 H new ATOM 0 HG23 THR A 41 -12.579 2.746 -5.425 1.00 0.00 H new ATOM 615 N LEU A 42 -10.454 3.297 -6.687 1.00 0.00 N ATOM 616 CA LEU A 42 -9.337 2.396 -6.870 1.00 0.00 C ATOM 617 C LEU A 42 -8.245 2.945 -7.745 1.00 0.00 C ATOM 618 O LEU A 42 -7.109 2.518 -7.631 1.00 0.00 O ATOM 619 CB LEU A 42 -9.658 0.890 -7.091 1.00 0.00 C ATOM 620 CG LEU A 42 -10.755 0.479 -8.082 1.00 0.00 C ATOM 621 CD1 LEU A 42 -12.122 0.717 -7.495 1.00 0.00 C ATOM 622 CD2 LEU A 42 -10.599 1.178 -9.427 1.00 0.00 C ATOM 0 H LEU A 42 -11.295 3.077 -7.220 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.914 2.363 -5.866 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.735 0.405 -7.409 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.922 0.469 -6.121 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.646 -0.590 -8.267 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -12.884 0.419 -8.215 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -12.234 0.130 -6.584 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -12.238 1.775 -7.261 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -11.396 0.858 -10.098 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.656 2.257 -9.285 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.633 0.919 -9.862 1.00 0.00 H new ATOM 634 N ALA A 43 -8.581 3.926 -8.596 1.00 0.00 N ATOM 635 CA ALA A 43 -7.566 4.637 -9.369 1.00 0.00 C ATOM 636 C ALA A 43 -6.662 5.387 -8.402 1.00 0.00 C ATOM 637 O ALA A 43 -5.470 5.567 -8.631 1.00 0.00 O ATOM 638 CB ALA A 43 -8.194 5.596 -10.373 1.00 0.00 C ATOM 0 H ALA A 43 -9.538 4.238 -8.762 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.984 3.916 -9.943 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.408 6.107 -10.929 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.824 5.037 -11.065 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.800 6.331 -9.844 1.00 0.00 H new ATOM 644 N ILE A 44 -7.255 5.791 -7.311 1.00 0.00 N ATOM 645 CA ILE A 44 -6.549 6.440 -6.238 1.00 0.00 C ATOM 646 C ILE A 44 -5.743 5.392 -5.454 1.00 0.00 C ATOM 647 O ILE A 44 -4.588 5.605 -5.167 1.00 0.00 O ATOM 648 CB ILE A 44 -7.533 7.170 -5.311 1.00 0.00 C ATOM 649 CG1 ILE A 44 -8.374 8.143 -6.139 1.00 0.00 C ATOM 650 CG2 ILE A 44 -6.777 7.917 -4.207 1.00 0.00 C ATOM 651 CD1 ILE A 44 -9.560 8.709 -5.411 1.00 0.00 C ATOM 0 H ILE A 44 -8.254 5.678 -7.140 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.865 7.181 -6.652 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.189 6.442 -4.834 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.738 8.965 -6.468 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.723 7.631 -7.036 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.490 8.428 -3.560 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.197 7.206 -3.618 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.106 8.649 -4.657 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -10.101 9.388 -6.070 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.220 7.898 -5.105 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -9.220 9.252 -4.529 1.00 0.00 H new ATOM 663 N VAL A 45 -6.367 4.244 -5.138 1.00 0.00 N ATOM 664 CA VAL A 45 -5.673 3.119 -4.436 1.00 0.00 C ATOM 665 C VAL A 45 -4.390 2.684 -5.193 1.00 0.00 C ATOM 666 O VAL A 45 -3.306 2.545 -4.592 1.00 0.00 O ATOM 667 CB VAL A 45 -6.603 1.872 -4.217 1.00 0.00 C ATOM 668 CG1 VAL A 45 -5.874 0.750 -3.462 1.00 0.00 C ATOM 669 CG2 VAL A 45 -7.850 2.258 -3.455 1.00 0.00 C ATOM 0 H VAL A 45 -7.347 4.059 -5.351 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.398 3.506 -3.455 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.882 1.504 -5.205 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.548 -0.096 -3.329 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.002 0.433 -4.034 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.554 1.116 -2.487 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.478 1.378 -3.316 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.571 2.663 -2.482 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.401 3.012 -4.017 1.00 0.00 H new ATOM 679 N GLU A 46 -4.493 2.501 -6.499 1.00 0.00 N ATOM 680 CA GLU A 46 -3.316 2.150 -7.290 1.00 0.00 C ATOM 681 C GLU A 46 -2.307 3.293 -7.338 1.00 0.00 C ATOM 682 O GLU A 46 -1.104 3.057 -7.299 1.00 0.00 O ATOM 683 CB GLU A 46 -3.669 1.684 -8.703 1.00 0.00 C ATOM 684 CG GLU A 46 -4.630 2.587 -9.427 1.00 0.00 C ATOM 685 CD GLU A 46 -4.677 2.339 -10.900 1.00 0.00 C ATOM 686 OE1 GLU A 46 -5.080 1.245 -11.325 1.00 0.00 O ATOM 687 OE2 GLU A 46 -4.291 3.234 -11.672 1.00 0.00 O ATOM 0 H GLU A 46 -5.360 2.587 -7.030 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.853 1.305 -6.779 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -2.752 1.604 -9.287 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.099 0.684 -8.647 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.628 2.452 -9.011 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.348 3.625 -9.249 1.00 0.00 H new ATOM 694 N SER A 47 -2.805 4.526 -7.373 1.00 0.00 N ATOM 695 CA SER A 47 -1.962 5.675 -7.445 1.00 0.00 C ATOM 696 C SER A 47 -1.187 5.865 -6.139 1.00 0.00 C ATOM 697 O SER A 47 0.004 6.127 -6.168 1.00 0.00 O ATOM 698 CB SER A 47 -2.788 6.923 -7.789 1.00 0.00 C ATOM 699 OG SER A 47 -1.975 8.072 -7.947 1.00 0.00 O ATOM 0 H SER A 47 -3.803 4.737 -7.351 1.00 0.00 H new ATOM 0 HA SER A 47 -1.233 5.521 -8.241 1.00 0.00 H new ATOM 0 HB2 SER A 47 -3.347 6.746 -8.708 1.00 0.00 H new ATOM 0 HB3 SER A 47 -3.519 7.102 -7.001 1.00 0.00 H new ATOM 0 HG SER A 47 -2.538 8.843 -8.167 1.00 0.00 H new ATOM 705 N VAL A 48 -1.851 5.700 -4.999 1.00 0.00 N ATOM 706 CA VAL A 48 -1.192 5.857 -3.713 1.00 0.00 C ATOM 707 C VAL A 48 -0.088 4.838 -3.534 1.00 0.00 C ATOM 708 O VAL A 48 0.988 5.168 -3.058 1.00 0.00 O ATOM 709 CB VAL A 48 -2.165 5.875 -2.485 1.00 0.00 C ATOM 710 CG1 VAL A 48 -3.060 7.088 -2.531 1.00 0.00 C ATOM 711 CG2 VAL A 48 -3.010 4.624 -2.403 1.00 0.00 C ATOM 0 H VAL A 48 -2.840 5.459 -4.942 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.747 6.852 -3.735 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.541 5.916 -1.592 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.727 7.081 -1.669 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.450 7.991 -2.510 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.650 7.070 -3.447 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.667 4.685 -1.536 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.611 4.531 -3.308 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.362 3.753 -2.307 1.00 0.00 H new ATOM 721 N ALA A 49 -0.314 3.634 -4.024 1.00 0.00 N ATOM 722 CA ALA A 49 0.678 2.590 -3.916 1.00 0.00 C ATOM 723 C ALA A 49 1.720 2.671 -5.026 1.00 0.00 C ATOM 724 O ALA A 49 2.611 1.846 -5.104 1.00 0.00 O ATOM 725 CB ALA A 49 0.019 1.215 -3.857 1.00 0.00 C ATOM 0 H ALA A 49 -1.174 3.359 -4.499 1.00 0.00 H new ATOM 0 HA ALA A 49 1.212 2.743 -2.978 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.788 0.446 -3.776 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.639 1.164 -2.989 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.563 1.051 -4.764 1.00 0.00 H new ATOM 731 N ASP A 50 1.617 3.681 -5.866 1.00 0.00 N ATOM 732 CA ASP A 50 2.580 3.866 -6.951 1.00 0.00 C ATOM 733 C ASP A 50 3.681 4.784 -6.463 1.00 0.00 C ATOM 734 O ASP A 50 4.661 5.054 -7.144 1.00 0.00 O ATOM 735 CB ASP A 50 1.889 4.449 -8.185 1.00 0.00 C ATOM 736 CG ASP A 50 2.709 4.293 -9.440 1.00 0.00 C ATOM 737 OD1 ASP A 50 2.777 3.152 -9.978 1.00 0.00 O ATOM 738 OD2 ASP A 50 3.258 5.290 -9.942 1.00 0.00 O ATOM 0 H ASP A 50 0.882 4.387 -5.825 1.00 0.00 H new ATOM 0 HA ASP A 50 3.008 2.905 -7.238 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.925 3.958 -8.322 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.687 5.507 -8.017 1.00 0.00 H new ATOM 743 N ASN A 51 3.498 5.247 -5.258 1.00 0.00 N ATOM 744 CA ASN A 51 4.443 6.106 -4.588 1.00 0.00 C ATOM 745 C ASN A 51 5.244 5.253 -3.656 1.00 0.00 C ATOM 746 O ASN A 51 4.831 4.150 -3.327 1.00 0.00 O ATOM 747 CB ASN A 51 3.722 7.173 -3.746 1.00 0.00 C ATOM 748 CG ASN A 51 2.891 8.148 -4.542 1.00 0.00 C ATOM 749 OD1 ASN A 51 3.386 9.176 -5.008 1.00 0.00 O ATOM 750 ND2 ASN A 51 1.631 7.870 -4.660 1.00 0.00 N ATOM 0 H ASN A 51 2.671 5.035 -4.700 1.00 0.00 H new ATOM 0 HA ASN A 51 5.064 6.604 -5.333 1.00 0.00 H new ATOM 0 HB2 ASN A 51 3.077 6.672 -3.024 1.00 0.00 H new ATOM 0 HB3 ASN A 51 4.466 7.731 -3.177 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.011 8.513 -5.153 1.00 0.00 H new ATOM 0 HD22 ASN A 51 1.259 7.008 -4.260 1.00 0.00 H new ATOM 757 N TRP A 52 6.368 5.730 -3.224 1.00 0.00 N ATOM 758 CA TRP A 52 7.130 4.995 -2.247 1.00 0.00 C ATOM 759 C TRP A 52 6.496 5.235 -0.890 1.00 0.00 C ATOM 760 O TRP A 52 6.484 6.353 -0.402 1.00 0.00 O ATOM 761 CB TRP A 52 8.608 5.413 -2.246 1.00 0.00 C ATOM 762 CG TRP A 52 9.333 5.108 -3.534 1.00 0.00 C ATOM 763 CD1 TRP A 52 8.885 4.344 -4.579 1.00 0.00 C ATOM 764 CD2 TRP A 52 10.649 5.542 -3.895 1.00 0.00 C ATOM 765 NE1 TRP A 52 9.831 4.296 -5.568 1.00 0.00 N ATOM 766 CE2 TRP A 52 10.925 5.017 -5.175 1.00 0.00 C ATOM 767 CE3 TRP A 52 11.617 6.327 -3.265 1.00 0.00 C ATOM 768 CZ2 TRP A 52 12.125 5.251 -5.831 1.00 0.00 C ATOM 769 CZ3 TRP A 52 12.811 6.557 -3.920 1.00 0.00 C ATOM 770 CH2 TRP A 52 13.055 6.021 -5.189 1.00 0.00 C ATOM 0 H TRP A 52 6.781 6.614 -3.523 1.00 0.00 H new ATOM 0 HA TRP A 52 7.113 3.933 -2.492 1.00 0.00 H new ATOM 0 HB2 TRP A 52 8.672 6.483 -2.050 1.00 0.00 H new ATOM 0 HB3 TRP A 52 9.117 4.907 -1.426 1.00 0.00 H new ATOM 0 HD1 TRP A 52 7.925 3.851 -4.617 1.00 0.00 H new ATOM 0 HE1 TRP A 52 9.735 3.802 -6.455 1.00 0.00 H new ATOM 0 HE3 TRP A 52 11.436 6.746 -2.286 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 12.317 4.841 -6.811 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 13.569 7.161 -3.444 1.00 0.00 H new ATOM 0 HH2 TRP A 52 14.000 6.220 -5.673 1.00 0.00 H new ATOM 781 N LEU A 53 5.899 4.222 -0.327 1.00 0.00 N ATOM 782 CA LEU A 53 5.241 4.373 0.941 1.00 0.00 C ATOM 783 C LEU A 53 5.564 3.219 1.885 1.00 0.00 C ATOM 784 O LEU A 53 6.175 2.231 1.483 1.00 0.00 O ATOM 785 CB LEU A 53 3.705 4.645 0.790 1.00 0.00 C ATOM 786 CG LEU A 53 2.747 3.526 0.304 1.00 0.00 C ATOM 787 CD1 LEU A 53 1.349 4.103 0.142 1.00 0.00 C ATOM 788 CD2 LEU A 53 3.185 2.879 -1.001 1.00 0.00 C ATOM 0 H LEU A 53 5.854 3.284 -0.725 1.00 0.00 H new ATOM 0 HA LEU A 53 5.645 5.270 1.410 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.341 4.979 1.762 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.594 5.484 0.103 1.00 0.00 H new ATOM 0 HG LEU A 53 2.763 2.741 1.060 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.670 3.322 -0.200 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.003 4.492 1.100 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.371 4.910 -0.590 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.470 2.106 -1.282 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.229 3.635 -1.785 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.171 2.432 -0.873 1.00 0.00 H new ATOM 800 N THR A 54 5.194 3.366 3.125 1.00 0.00 N ATOM 801 CA THR A 54 5.546 2.409 4.148 1.00 0.00 C ATOM 802 C THR A 54 4.321 1.572 4.579 1.00 0.00 C ATOM 803 O THR A 54 3.188 1.921 4.233 1.00 0.00 O ATOM 804 CB THR A 54 6.109 3.177 5.372 1.00 0.00 C ATOM 805 OG1 THR A 54 5.160 4.169 5.811 1.00 0.00 O ATOM 806 CG2 THR A 54 7.433 3.853 5.034 1.00 0.00 C ATOM 0 H THR A 54 4.638 4.153 3.461 1.00 0.00 H new ATOM 0 HA THR A 54 6.294 1.725 3.748 1.00 0.00 H new ATOM 0 HB THR A 54 6.282 2.457 6.172 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.522 4.648 6.585 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.805 4.384 5.910 1.00 0.00 H new ATOM 0 HG22 THR A 54 8.160 3.099 4.731 1.00 0.00 H new ATOM 0 HG23 THR A 54 7.283 4.560 4.218 1.00 0.00 H new ATOM 814 N PRO A 55 4.522 0.465 5.352 1.00 0.00 N ATOM 815 CA PRO A 55 3.414 -0.342 5.871 1.00 0.00 C ATOM 816 C PRO A 55 2.572 0.459 6.857 1.00 0.00 C ATOM 817 O PRO A 55 1.388 0.183 7.053 1.00 0.00 O ATOM 818 CB PRO A 55 4.085 -1.497 6.607 1.00 0.00 C ATOM 819 CG PRO A 55 5.491 -1.505 6.138 1.00 0.00 C ATOM 820 CD PRO A 55 5.823 -0.104 5.727 1.00 0.00 C ATOM 0 HA PRO A 55 2.750 -0.671 5.071 1.00 0.00 H new ATOM 0 HB2 PRO A 55 4.033 -1.357 7.687 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.592 -2.443 6.384 1.00 0.00 H new ATOM 0 HG2 PRO A 55 6.160 -1.843 6.929 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.614 -2.192 5.301 1.00 0.00 H new ATOM 0 HD2 PRO A 55 6.284 0.454 6.542 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.524 -0.087 4.892 1.00 0.00 H new ATOM 828 N THR A 56 3.204 1.432 7.487 1.00 0.00 N ATOM 829 CA THR A 56 2.558 2.325 8.407 1.00 0.00 C ATOM 830 C THR A 56 1.518 3.141 7.630 1.00 0.00 C ATOM 831 O THR A 56 0.355 3.261 8.037 1.00 0.00 O ATOM 832 CB THR A 56 3.617 3.277 8.964 1.00 0.00 C ATOM 833 OG1 THR A 56 4.824 2.535 9.202 1.00 0.00 O ATOM 834 CG2 THR A 56 3.150 3.903 10.267 1.00 0.00 C ATOM 0 H THR A 56 4.199 1.620 7.365 1.00 0.00 H new ATOM 0 HA THR A 56 2.078 1.775 9.216 1.00 0.00 H new ATOM 0 HB THR A 56 3.792 4.074 8.241 1.00 0.00 H new ATOM 0 HG1 THR A 56 5.512 3.135 9.558 1.00 0.00 H new ATOM 0 HG21 THR A 56 3.920 4.576 10.644 1.00 0.00 H new ATOM 0 HG22 THR A 56 2.232 4.464 10.093 1.00 0.00 H new ATOM 0 HG23 THR A 56 2.963 3.119 11.001 1.00 0.00 H new ATOM 842 N ASP A 57 1.970 3.654 6.486 1.00 0.00 N ATOM 843 CA ASP A 57 1.161 4.450 5.567 1.00 0.00 C ATOM 844 C ASP A 57 0.016 3.579 5.079 1.00 0.00 C ATOM 845 O ASP A 57 -1.148 3.920 5.230 1.00 0.00 O ATOM 846 CB ASP A 57 2.043 4.845 4.389 1.00 0.00 C ATOM 847 CG ASP A 57 1.637 6.116 3.704 1.00 0.00 C ATOM 848 OD1 ASP A 57 0.695 6.117 2.934 1.00 0.00 O ATOM 849 OD2 ASP A 57 2.334 7.141 3.915 1.00 0.00 O ATOM 0 H ASP A 57 2.930 3.524 6.167 1.00 0.00 H new ATOM 0 HA ASP A 57 0.767 5.344 6.051 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.070 4.949 4.740 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.035 4.036 3.659 1.00 0.00 H new ATOM 854 N TRP A 58 0.392 2.413 4.566 1.00 0.00 N ATOM 855 CA TRP A 58 -0.522 1.374 4.096 1.00 0.00 C ATOM 856 C TRP A 58 -1.654 1.060 5.102 1.00 0.00 C ATOM 857 O TRP A 58 -2.856 1.221 4.791 1.00 0.00 O ATOM 858 CB TRP A 58 0.288 0.099 3.811 1.00 0.00 C ATOM 859 CG TRP A 58 0.724 -0.077 2.387 1.00 0.00 C ATOM 860 CD1 TRP A 58 0.749 0.860 1.400 1.00 0.00 C ATOM 861 CD2 TRP A 58 1.178 -1.295 1.791 1.00 0.00 C ATOM 862 NE1 TRP A 58 1.180 0.288 0.223 1.00 0.00 N ATOM 863 CE2 TRP A 58 1.454 -1.025 0.438 1.00 0.00 C ATOM 864 CE3 TRP A 58 1.380 -2.591 2.269 1.00 0.00 C ATOM 865 CZ2 TRP A 58 1.914 -1.998 -0.440 1.00 0.00 C ATOM 866 CZ3 TRP A 58 1.834 -3.554 1.397 1.00 0.00 C ATOM 867 CH2 TRP A 58 2.094 -3.256 0.060 1.00 0.00 C ATOM 0 H TRP A 58 1.373 2.155 4.462 1.00 0.00 H new ATOM 0 HA TRP A 58 -1.005 1.744 3.192 1.00 0.00 H new ATOM 0 HB2 TRP A 58 1.173 0.100 4.447 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -0.311 -0.765 4.100 1.00 0.00 H new ATOM 0 HD1 TRP A 58 0.472 1.897 1.521 1.00 0.00 H new ATOM 0 HE1 TRP A 58 1.278 0.774 -0.669 1.00 0.00 H new ATOM 0 HE3 TRP A 58 1.184 -2.833 3.303 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 2.121 -1.769 -1.475 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.992 -4.560 1.755 1.00 0.00 H new ATOM 0 HH2 TRP A 58 2.446 -4.039 -0.596 1.00 0.00 H new ATOM 878 N ASN A 59 -1.272 0.633 6.300 1.00 0.00 N ATOM 879 CA ASN A 59 -2.228 0.272 7.363 1.00 0.00 C ATOM 880 C ASN A 59 -3.160 1.430 7.656 1.00 0.00 C ATOM 881 O ASN A 59 -4.361 1.244 7.766 1.00 0.00 O ATOM 882 CB ASN A 59 -1.478 -0.138 8.643 1.00 0.00 C ATOM 883 CG ASN A 59 -2.389 -0.510 9.817 1.00 0.00 C ATOM 884 OD1 ASN A 59 -2.777 0.345 10.613 1.00 0.00 O ATOM 885 ND2 ASN A 59 -2.703 -1.777 9.948 1.00 0.00 N ATOM 0 H ASN A 59 -0.295 0.524 6.571 1.00 0.00 H new ATOM 0 HA ASN A 59 -2.821 -0.574 7.016 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.833 -0.987 8.416 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.829 0.683 8.948 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -3.286 -2.080 10.728 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.364 -2.459 9.270 1.00 0.00 H new ATOM 892 N THR A 60 -2.587 2.616 7.647 1.00 0.00 N ATOM 893 CA THR A 60 -3.349 3.804 7.964 1.00 0.00 C ATOM 894 C THR A 60 -4.300 4.215 6.799 1.00 0.00 C ATOM 895 O THR A 60 -5.334 4.870 7.030 1.00 0.00 O ATOM 896 CB THR A 60 -2.427 4.957 8.412 1.00 0.00 C ATOM 897 OG1 THR A 60 -1.587 4.476 9.497 1.00 0.00 O ATOM 898 CG2 THR A 60 -3.237 6.152 8.920 1.00 0.00 C ATOM 0 H THR A 60 -1.605 2.782 7.426 1.00 0.00 H new ATOM 0 HA THR A 60 -3.993 3.566 8.811 1.00 0.00 H new ATOM 0 HB THR A 60 -1.832 5.279 7.558 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.899 3.878 9.137 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.558 6.947 9.228 1.00 0.00 H new ATOM 0 HG22 THR A 60 -3.886 6.517 8.124 1.00 0.00 H new ATOM 0 HG23 THR A 60 -3.845 5.844 9.771 1.00 0.00 H new ATOM 906 N LEU A 61 -3.980 3.795 5.573 1.00 0.00 N ATOM 907 CA LEU A 61 -4.852 4.051 4.438 1.00 0.00 C ATOM 908 C LEU A 61 -6.120 3.308 4.632 1.00 0.00 C ATOM 909 O LEU A 61 -7.130 3.917 4.880 1.00 0.00 O ATOM 910 CB LEU A 61 -4.250 3.622 3.103 1.00 0.00 C ATOM 911 CG LEU A 61 -3.019 4.355 2.643 1.00 0.00 C ATOM 912 CD1 LEU A 61 -2.538 3.812 1.304 1.00 0.00 C ATOM 913 CD2 LEU A 61 -3.266 5.852 2.567 1.00 0.00 C ATOM 0 H LEU A 61 -3.129 3.280 5.347 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.008 5.129 4.397 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.009 2.561 3.165 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.016 3.731 2.335 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.233 4.188 3.380 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.647 4.356 0.990 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.300 2.753 1.405 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.322 3.938 0.557 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.358 6.354 2.232 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.073 6.052 1.862 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.544 6.225 3.553 1.00 0.00 H new ATOM 925 N VAL A 62 -6.030 1.959 4.629 1.00 0.00 N ATOM 926 CA VAL A 62 -7.234 1.071 4.731 1.00 0.00 C ATOM 927 C VAL A 62 -8.029 1.484 5.940 1.00 0.00 C ATOM 928 O VAL A 62 -9.247 1.585 5.920 1.00 0.00 O ATOM 929 CB VAL A 62 -6.847 -0.409 4.980 1.00 0.00 C ATOM 930 CG1 VAL A 62 -8.030 -1.335 4.780 1.00 0.00 C ATOM 931 CG2 VAL A 62 -5.679 -0.840 4.158 1.00 0.00 C ATOM 0 H VAL A 62 -5.147 1.454 4.558 1.00 0.00 H new ATOM 0 HA VAL A 62 -7.782 1.163 3.794 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.541 -0.477 6.024 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.721 -2.364 4.963 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -8.825 -1.065 5.475 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -8.396 -1.242 3.757 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.450 -1.884 4.371 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.918 -0.729 3.100 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.815 -0.222 4.402 1.00 0.00 H new ATOM 941 N ARG A 63 -7.263 1.788 6.938 1.00 0.00 N ATOM 942 CA ARG A 63 -7.726 2.156 8.295 1.00 0.00 C ATOM 943 C ARG A 63 -8.720 3.321 8.251 1.00 0.00 C ATOM 944 O ARG A 63 -9.813 3.259 8.824 1.00 0.00 O ATOM 945 CB ARG A 63 -6.527 2.640 9.110 1.00 0.00 C ATOM 946 CG ARG A 63 -6.689 2.671 10.618 1.00 0.00 C ATOM 947 CD ARG A 63 -6.618 1.274 11.196 1.00 0.00 C ATOM 948 NE ARG A 63 -6.527 1.299 12.656 1.00 0.00 N ATOM 949 CZ ARG A 63 -5.681 0.561 13.389 1.00 0.00 C ATOM 950 NH1 ARG A 63 -4.772 -0.206 12.797 1.00 0.00 N ATOM 951 NH2 ARG A 63 -5.712 0.653 14.713 1.00 0.00 N ATOM 0 H ARG A 63 -6.246 1.795 6.856 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.201 1.278 8.732 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.676 2.001 8.873 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.273 3.646 8.775 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.909 3.292 11.059 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.644 3.128 10.876 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.501 0.710 10.896 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.753 0.753 10.786 1.00 0.00 H new ATOM 0 HE ARG A 63 -7.157 1.927 13.155 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -4.715 -0.236 11.779 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.131 -0.765 13.360 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -6.376 1.282 15.165 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -5.072 0.095 15.278 1.00 0.00 H new ATOM 965 N ALA A 64 -8.312 4.370 7.594 1.00 0.00 N ATOM 966 CA ALA A 64 -9.048 5.607 7.593 1.00 0.00 C ATOM 967 C ALA A 64 -9.889 5.783 6.331 1.00 0.00 C ATOM 968 O ALA A 64 -11.104 6.007 6.412 1.00 0.00 O ATOM 969 CB ALA A 64 -8.066 6.754 7.744 1.00 0.00 C ATOM 0 H ALA A 64 -7.455 4.393 7.041 1.00 0.00 H new ATOM 0 HA ALA A 64 -9.747 5.593 8.429 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.608 7.700 7.745 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.522 6.646 8.683 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.361 6.741 6.913 1.00 0.00 H new ATOM 975 N VAL A 65 -9.224 5.705 5.214 1.00 0.00 N ATOM 976 CA VAL A 65 -9.845 5.985 3.920 1.00 0.00 C ATOM 977 C VAL A 65 -11.119 5.193 3.661 1.00 0.00 C ATOM 978 O VAL A 65 -12.088 5.753 3.230 1.00 0.00 O ATOM 979 CB VAL A 65 -8.871 5.904 2.709 1.00 0.00 C ATOM 980 CG1 VAL A 65 -7.634 6.746 2.960 1.00 0.00 C ATOM 981 CG2 VAL A 65 -8.506 4.479 2.331 1.00 0.00 C ATOM 0 H VAL A 65 -8.239 5.448 5.158 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.138 7.031 4.007 1.00 0.00 H new ATOM 0 HB VAL A 65 -9.402 6.314 1.850 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.966 6.676 2.102 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.926 7.786 3.109 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.121 6.382 3.850 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.825 4.491 1.480 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.022 3.991 3.177 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -9.409 3.931 2.064 1.00 0.00 H new ATOM 991 N LEU A 66 -11.147 3.918 3.984 1.00 0.00 N ATOM 992 CA LEU A 66 -12.361 3.122 3.775 1.00 0.00 C ATOM 993 C LEU A 66 -12.774 2.434 5.067 1.00 0.00 C ATOM 994 O LEU A 66 -12.044 2.475 6.062 1.00 0.00 O ATOM 995 CB LEU A 66 -12.274 2.117 2.587 1.00 0.00 C ATOM 996 CG LEU A 66 -12.620 2.651 1.156 1.00 0.00 C ATOM 997 CD1 LEU A 66 -11.630 3.666 0.615 1.00 0.00 C ATOM 998 CD2 LEU A 66 -12.758 1.520 0.196 1.00 0.00 C ATOM 0 H LEU A 66 -10.362 3.407 4.387 1.00 0.00 H new ATOM 0 HA LEU A 66 -13.139 3.827 3.483 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -11.261 1.717 2.560 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -12.941 1.282 2.804 1.00 0.00 H new ATOM 0 HG LEU A 66 -13.570 3.176 1.262 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -11.942 3.985 -0.379 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -11.595 4.530 1.279 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -10.640 3.213 0.557 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -12.998 1.910 -0.793 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -11.821 0.966 0.150 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -13.556 0.856 0.528 1.00 0.00 H new ATOM 1010 N SER A 67 -13.940 1.836 5.071 1.00 0.00 N ATOM 1011 CA SER A 67 -14.482 1.189 6.256 1.00 0.00 C ATOM 1012 C SER A 67 -15.532 0.152 5.857 1.00 0.00 C ATOM 1013 O SER A 67 -16.127 0.243 4.761 1.00 0.00 O ATOM 1014 CB SER A 67 -15.105 2.240 7.201 1.00 0.00 C ATOM 1015 OG SER A 67 -14.143 3.223 7.591 1.00 0.00 O ATOM 0 H SER A 67 -14.547 1.780 4.253 1.00 0.00 H new ATOM 0 HA SER A 67 -13.671 0.684 6.780 1.00 0.00 H new ATOM 0 HB2 SER A 67 -15.944 2.727 6.704 1.00 0.00 H new ATOM 0 HB3 SER A 67 -15.502 1.745 8.087 1.00 0.00 H new ATOM 0 HG SER A 67 -14.566 3.876 8.187 1.00 0.00 H new ATOM 1021 N GLY A 68 -15.712 -0.844 6.704 1.00 0.00 N ATOM 1022 CA GLY A 68 -16.723 -1.844 6.512 1.00 0.00 C ATOM 1023 C GLY A 68 -16.257 -2.971 5.631 1.00 0.00 C ATOM 1024 O GLY A 68 -15.815 -4.020 6.117 1.00 0.00 O ATOM 0 H GLY A 68 -15.153 -0.975 7.547 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -17.023 -2.244 7.481 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -17.607 -1.383 6.070 1.00 0.00 H new ATOM 1028 N GLY A 69 -16.331 -2.753 4.340 1.00 0.00 N ATOM 1029 CA GLY A 69 -15.949 -3.760 3.393 1.00 0.00 C ATOM 1030 C GLY A 69 -14.456 -3.822 3.211 1.00 0.00 C ATOM 1031 O GLY A 69 -13.923 -4.839 2.754 1.00 0.00 O ATOM 0 H GLY A 69 -16.655 -1.880 3.924 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -16.314 -4.731 3.728 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -16.423 -3.555 2.433 1.00 0.00 H new ATOM 1035 N ASP A 70 -13.802 -2.715 3.553 1.00 0.00 N ATOM 1036 CA ASP A 70 -12.351 -2.521 3.388 1.00 0.00 C ATOM 1037 C ASP A 70 -11.566 -3.746 3.835 1.00 0.00 C ATOM 1038 O ASP A 70 -10.895 -4.387 3.032 1.00 0.00 O ATOM 1039 CB ASP A 70 -11.848 -1.257 4.168 1.00 0.00 C ATOM 1040 CG ASP A 70 -11.876 -1.392 5.701 1.00 0.00 C ATOM 1041 OD1 ASP A 70 -12.948 -1.468 6.283 1.00 0.00 O ATOM 1042 OD2 ASP A 70 -10.808 -1.515 6.328 1.00 0.00 O ATOM 0 H ASP A 70 -14.270 -1.906 3.962 1.00 0.00 H new ATOM 0 HA ASP A 70 -12.176 -2.367 2.323 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -10.827 -1.037 3.855 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -12.461 -0.403 3.881 1.00 0.00 H new ATOM 1047 N HIS A 71 -11.749 -4.127 5.067 1.00 0.00 N ATOM 1048 CA HIS A 71 -10.957 -5.142 5.660 1.00 0.00 C ATOM 1049 C HIS A 71 -11.259 -6.480 5.028 1.00 0.00 C ATOM 1050 O HIS A 71 -10.341 -7.192 4.638 1.00 0.00 O ATOM 1051 CB HIS A 71 -11.181 -5.174 7.164 1.00 0.00 C ATOM 1052 CG HIS A 71 -10.032 -5.722 7.934 1.00 0.00 C ATOM 1053 ND1 HIS A 71 -9.158 -4.919 8.626 1.00 0.00 N ATOM 1054 CD2 HIS A 71 -9.598 -6.986 8.115 1.00 0.00 C ATOM 1055 CE1 HIS A 71 -8.243 -5.654 9.187 1.00 0.00 C ATOM 1056 NE2 HIS A 71 -8.483 -6.911 8.898 1.00 0.00 N ATOM 0 H HIS A 71 -12.459 -3.733 5.684 1.00 0.00 H new ATOM 0 HA HIS A 71 -9.905 -4.920 5.483 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -11.389 -4.162 7.512 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -12.067 -5.773 7.377 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -10.046 -7.884 7.717 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -7.424 -5.291 9.789 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -7.925 -7.706 9.209 1.00 0.00 H new ATOM 1065 N LEU A 72 -12.534 -6.775 4.857 1.00 0.00 N ATOM 1066 CA LEU A 72 -12.929 -8.045 4.309 1.00 0.00 C ATOM 1067 C LEU A 72 -12.368 -8.305 2.902 1.00 0.00 C ATOM 1068 O LEU A 72 -11.668 -9.280 2.707 1.00 0.00 O ATOM 1069 CB LEU A 72 -14.453 -8.351 4.505 1.00 0.00 C ATOM 1070 CG LEU A 72 -15.493 -7.305 4.054 1.00 0.00 C ATOM 1071 CD1 LEU A 72 -15.786 -7.383 2.570 1.00 0.00 C ATOM 1072 CD2 LEU A 72 -16.771 -7.445 4.862 1.00 0.00 C ATOM 0 H LEU A 72 -13.306 -6.151 5.091 1.00 0.00 H new ATOM 0 HA LEU A 72 -12.438 -8.809 4.912 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -14.672 -9.280 3.978 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -14.616 -8.540 5.566 1.00 0.00 H new ATOM 0 HG LEU A 72 -15.061 -6.322 4.240 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -16.524 -6.626 2.305 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -14.868 -7.208 2.008 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -16.177 -8.371 2.328 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -17.494 -6.700 4.531 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -17.186 -8.442 4.717 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -16.552 -7.294 5.919 1.00 0.00 H new ATOM 1084 N LEU A 73 -12.578 -7.426 1.950 1.00 0.00 N ATOM 1085 CA LEU A 73 -12.022 -7.704 0.635 1.00 0.00 C ATOM 1086 C LEU A 73 -10.606 -7.202 0.395 1.00 0.00 C ATOM 1087 O LEU A 73 -9.751 -8.018 0.057 1.00 0.00 O ATOM 1088 CB LEU A 73 -12.960 -7.483 -0.532 1.00 0.00 C ATOM 1089 CG LEU A 73 -13.709 -8.746 -1.063 1.00 0.00 C ATOM 1090 CD1 LEU A 73 -12.740 -9.838 -1.511 1.00 0.00 C ATOM 1091 CD2 LEU A 73 -14.689 -9.303 -0.051 1.00 0.00 C ATOM 0 H LEU A 73 -13.100 -6.555 2.044 1.00 0.00 H new ATOM 0 HA LEU A 73 -11.906 -8.787 0.675 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -13.703 -6.742 -0.238 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -12.388 -7.053 -1.354 1.00 0.00 H new ATOM 0 HG LEU A 73 -14.277 -8.413 -1.932 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -13.303 -10.698 -1.873 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -12.106 -9.456 -2.312 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -12.118 -10.140 -0.669 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -15.184 -10.180 -0.468 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -14.154 -9.585 0.856 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -15.435 -8.545 0.188 1.00 0.00 H new ATOM 1103 N TRP A 74 -10.343 -5.868 0.566 1.00 0.00 N ATOM 1104 CA TRP A 74 -8.985 -5.315 0.448 1.00 0.00 C ATOM 1105 C TRP A 74 -7.998 -6.177 1.262 1.00 0.00 C ATOM 1106 O TRP A 74 -6.949 -6.577 0.811 1.00 0.00 O ATOM 1107 CB TRP A 74 -8.876 -3.841 1.019 1.00 0.00 C ATOM 1108 CG TRP A 74 -9.429 -2.602 0.238 1.00 0.00 C ATOM 1109 CD1 TRP A 74 -10.430 -2.505 -0.697 1.00 0.00 C ATOM 1110 CD2 TRP A 74 -8.920 -1.259 0.382 1.00 0.00 C ATOM 1111 NE1 TRP A 74 -10.595 -1.172 -1.100 1.00 0.00 N ATOM 1112 CE2 TRP A 74 -9.683 -0.395 -0.426 1.00 0.00 C ATOM 1113 CE3 TRP A 74 -7.901 -0.738 1.134 1.00 0.00 C ATOM 1114 CZ2 TRP A 74 -9.447 0.996 -0.481 1.00 0.00 C ATOM 1115 CZ3 TRP A 74 -7.637 0.657 1.095 1.00 0.00 C ATOM 1116 CH2 TRP A 74 -8.428 1.509 0.293 1.00 0.00 C ATOM 0 H TRP A 74 -11.058 -5.174 0.784 1.00 0.00 H new ATOM 0 HA TRP A 74 -8.749 -5.310 -0.616 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -9.369 -3.844 1.991 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -7.818 -3.652 1.198 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -11.008 -3.338 -1.069 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -11.277 -0.835 -1.779 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -7.300 -1.386 1.755 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -10.046 1.638 -1.110 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -6.828 1.068 1.681 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -8.233 2.571 0.286 1.00 0.00 H new ATOM 1127 N LYS A 75 -8.364 -6.450 2.459 1.00 0.00 N ATOM 1128 CA LYS A 75 -7.465 -7.072 3.390 1.00 0.00 C ATOM 1129 C LYS A 75 -7.395 -8.575 3.416 1.00 0.00 C ATOM 1130 O LYS A 75 -6.306 -9.101 3.594 1.00 0.00 O ATOM 1131 CB LYS A 75 -7.471 -6.404 4.737 1.00 0.00 C ATOM 1132 CG LYS A 75 -7.228 -4.910 4.608 1.00 0.00 C ATOM 1133 CD LYS A 75 -5.839 -4.570 4.032 1.00 0.00 C ATOM 1134 CE LYS A 75 -4.762 -4.802 5.096 1.00 0.00 C ATOM 1135 NZ LYS A 75 -3.474 -4.141 4.799 1.00 0.00 N ATOM 0 H LYS A 75 -9.293 -6.253 2.833 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.490 -6.869 2.947 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.428 -6.579 5.229 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -6.702 -6.847 5.370 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.996 -4.477 3.967 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.332 -4.445 5.588 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.637 -5.188 3.157 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.817 -3.532 3.701 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.131 -4.442 6.057 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.593 -5.874 5.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.737 -4.862 4.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.567 -3.574 3.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.211 -3.521 5.592 1.00 0.00 H new ATOM 1149 N SER A 76 -8.504 -9.295 3.243 1.00 0.00 N ATOM 1150 CA SER A 76 -8.382 -10.745 3.214 1.00 0.00 C ATOM 1151 C SER A 76 -7.586 -11.133 1.967 1.00 0.00 C ATOM 1152 O SER A 76 -6.745 -12.047 2.002 1.00 0.00 O ATOM 1153 CB SER A 76 -9.744 -11.450 3.269 1.00 0.00 C ATOM 1154 OG SER A 76 -9.607 -12.860 3.384 1.00 0.00 O ATOM 0 H SER A 76 -9.446 -8.921 3.127 1.00 0.00 H new ATOM 0 HA SER A 76 -7.852 -11.078 4.107 1.00 0.00 H new ATOM 0 HB2 SER A 76 -10.315 -11.071 4.116 1.00 0.00 H new ATOM 0 HB3 SER A 76 -10.312 -11.213 2.370 1.00 0.00 H new ATOM 0 HG SER A 76 -10.495 -13.273 3.418 1.00 0.00 H new ATOM 1160 N GLU A 77 -7.783 -10.371 0.895 1.00 0.00 N ATOM 1161 CA GLU A 77 -7.018 -10.573 -0.307 1.00 0.00 C ATOM 1162 C GLU A 77 -5.592 -10.061 -0.137 1.00 0.00 C ATOM 1163 O GLU A 77 -4.701 -10.475 -0.868 1.00 0.00 O ATOM 1164 CB GLU A 77 -7.683 -9.936 -1.521 1.00 0.00 C ATOM 1165 CG GLU A 77 -8.930 -10.642 -2.005 1.00 0.00 C ATOM 1166 CD GLU A 77 -8.651 -12.057 -2.453 1.00 0.00 C ATOM 1167 OE1 GLU A 77 -8.153 -12.250 -3.585 1.00 0.00 O ATOM 1168 OE2 GLU A 77 -8.944 -12.993 -1.699 1.00 0.00 O ATOM 0 H GLU A 77 -8.465 -9.614 0.845 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.979 -11.647 -0.487 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.938 -8.904 -1.278 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.961 -9.903 -2.337 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.670 -10.656 -1.205 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.365 -10.081 -2.832 1.00 0.00 H new ATOM 1175 N PHE A 78 -5.374 -9.132 0.806 1.00 0.00 N ATOM 1176 CA PHE A 78 -4.014 -8.664 1.099 1.00 0.00 C ATOM 1177 C PHE A 78 -3.175 -9.822 1.524 1.00 0.00 C ATOM 1178 O PHE A 78 -2.111 -10.058 0.982 1.00 0.00 O ATOM 1179 CB PHE A 78 -4.012 -7.561 2.175 1.00 0.00 C ATOM 1180 CG PHE A 78 -2.641 -7.123 2.623 1.00 0.00 C ATOM 1181 CD1 PHE A 78 -1.879 -6.285 1.840 1.00 0.00 C ATOM 1182 CD2 PHE A 78 -2.123 -7.559 3.833 1.00 0.00 C ATOM 1183 CE1 PHE A 78 -0.627 -5.889 2.245 1.00 0.00 C ATOM 1184 CE2 PHE A 78 -0.872 -7.165 4.245 1.00 0.00 C ATOM 1185 CZ PHE A 78 -0.121 -6.328 3.447 1.00 0.00 C ATOM 0 H PHE A 78 -6.107 -8.698 1.368 1.00 0.00 H new ATOM 0 HA PHE A 78 -3.595 -8.226 0.193 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -4.548 -6.694 1.789 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -4.567 -7.918 3.043 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -2.270 -5.935 0.896 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -2.709 -8.216 4.459 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -0.040 -5.233 1.620 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -0.479 -7.510 5.190 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.863 -6.017 3.765 1.00 0.00 H new ATOM 1195 N PHE A 79 -3.702 -10.578 2.434 1.00 0.00 N ATOM 1196 CA PHE A 79 -3.022 -11.724 2.946 1.00 0.00 C ATOM 1197 C PHE A 79 -2.822 -12.778 1.875 1.00 0.00 C ATOM 1198 O PHE A 79 -1.750 -13.392 1.783 1.00 0.00 O ATOM 1199 CB PHE A 79 -3.768 -12.270 4.146 1.00 0.00 C ATOM 1200 CG PHE A 79 -3.684 -11.355 5.329 1.00 0.00 C ATOM 1201 CD1 PHE A 79 -2.495 -11.214 6.021 1.00 0.00 C ATOM 1202 CD2 PHE A 79 -4.776 -10.601 5.724 1.00 0.00 C ATOM 1203 CE1 PHE A 79 -2.401 -10.345 7.091 1.00 0.00 C ATOM 1204 CE2 PHE A 79 -4.690 -9.726 6.789 1.00 0.00 C ATOM 1205 CZ PHE A 79 -3.500 -9.600 7.472 1.00 0.00 C ATOM 0 H PHE A 79 -4.621 -10.416 2.845 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.026 -11.423 3.271 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -4.814 -12.424 3.882 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -3.359 -13.245 4.413 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.631 -11.789 5.722 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -5.710 -10.699 5.191 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -1.469 -10.248 7.629 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -5.550 -9.144 7.085 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.426 -8.918 8.306 1.00 0.00 H new ATOM 1215 N GLU A 80 -3.828 -12.964 1.053 1.00 0.00 N ATOM 1216 CA GLU A 80 -3.778 -13.950 0.007 1.00 0.00 C ATOM 1217 C GLU A 80 -2.797 -13.588 -1.094 1.00 0.00 C ATOM 1218 O GLU A 80 -1.785 -14.246 -1.244 1.00 0.00 O ATOM 1219 CB GLU A 80 -5.158 -14.189 -0.570 1.00 0.00 C ATOM 1220 CG GLU A 80 -6.125 -14.761 0.436 1.00 0.00 C ATOM 1221 CD GLU A 80 -5.649 -16.065 1.018 1.00 0.00 C ATOM 1222 OE1 GLU A 80 -5.644 -17.073 0.301 1.00 0.00 O ATOM 1223 OE2 GLU A 80 -5.300 -16.112 2.224 1.00 0.00 O ATOM 0 H GLU A 80 -4.700 -12.436 1.093 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.417 -14.872 0.463 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -5.554 -13.248 -0.953 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -5.079 -14.870 -1.418 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.275 -14.041 1.241 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.093 -14.912 -0.041 1.00 0.00 H new ATOM 1230 N ASN A 81 -3.050 -12.492 -1.800 1.00 0.00 N ATOM 1231 CA ASN A 81 -2.236 -12.127 -2.973 1.00 0.00 C ATOM 1232 C ASN A 81 -0.802 -11.838 -2.607 1.00 0.00 C ATOM 1233 O ASN A 81 0.119 -12.225 -3.332 1.00 0.00 O ATOM 1234 CB ASN A 81 -2.795 -10.923 -3.759 1.00 0.00 C ATOM 1235 CG ASN A 81 -4.197 -11.107 -4.298 1.00 0.00 C ATOM 1236 OD1 ASN A 81 -4.404 -11.709 -5.350 1.00 0.00 O ATOM 1237 ND2 ASN A 81 -5.153 -10.527 -3.637 1.00 0.00 N ATOM 0 H ASN A 81 -3.805 -11.839 -1.590 1.00 0.00 H new ATOM 0 HA ASN A 81 -2.280 -13.006 -3.615 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -2.783 -10.047 -3.110 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -2.126 -10.710 -4.593 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -6.110 -10.563 -3.988 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -4.947 -10.036 -2.767 1.00 0.00 H new ATOM 1244 N CYS A 82 -0.596 -11.173 -1.484 1.00 0.00 N ATOM 1245 CA CYS A 82 0.748 -10.824 -1.087 1.00 0.00 C ATOM 1246 C CYS A 82 1.545 -12.068 -0.682 1.00 0.00 C ATOM 1247 O CYS A 82 2.683 -12.242 -1.102 1.00 0.00 O ATOM 1248 CB CYS A 82 0.763 -9.767 0.007 1.00 0.00 C ATOM 1249 SG CYS A 82 -0.051 -8.205 -0.432 1.00 0.00 S ATOM 0 H CYS A 82 -1.330 -10.870 -0.844 1.00 0.00 H new ATOM 0 HA CYS A 82 1.239 -10.384 -1.955 1.00 0.00 H new ATOM 0 HB2 CYS A 82 0.279 -10.176 0.894 1.00 0.00 H new ATOM 0 HB3 CYS A 82 1.798 -9.558 0.276 1.00 0.00 H new ATOM 0 HG CYS A 82 -0.471 -7.616 0.648 1.00 0.00 H new ATOM 1255 N ARG A 83 0.938 -12.975 0.076 1.00 0.00 N ATOM 1256 CA ARG A 83 1.669 -14.177 0.435 1.00 0.00 C ATOM 1257 C ARG A 83 1.783 -15.139 -0.718 1.00 0.00 C ATOM 1258 O ARG A 83 2.720 -15.935 -0.778 1.00 0.00 O ATOM 1259 CB ARG A 83 1.207 -14.851 1.736 1.00 0.00 C ATOM 1260 CG ARG A 83 1.868 -14.258 2.976 1.00 0.00 C ATOM 1261 CD ARG A 83 1.433 -12.825 3.265 1.00 0.00 C ATOM 1262 NE ARG A 83 2.286 -12.163 4.286 1.00 0.00 N ATOM 1263 CZ ARG A 83 2.041 -12.111 5.609 1.00 0.00 C ATOM 1264 NH1 ARG A 83 1.049 -12.811 6.156 1.00 0.00 N ATOM 1265 NH2 ARG A 83 2.833 -11.385 6.384 1.00 0.00 N ATOM 0 H ARG A 83 -0.013 -12.906 0.438 1.00 0.00 H new ATOM 0 HA ARG A 83 2.677 -13.832 0.665 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.125 -14.754 1.825 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.429 -15.917 1.686 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.633 -14.882 3.838 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.950 -14.283 2.849 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.463 -12.247 2.341 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.398 -12.825 3.607 1.00 0.00 H new ATOM 0 HE ARG A 83 3.135 -11.706 3.954 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.458 -13.401 5.570 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.880 -12.757 7.161 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.617 -10.874 5.977 1.00 0.00 H new ATOM 0 HH22 ARG A 83 2.659 -11.336 7.388 1.00 0.00 H new ATOM 1279 N ASP A 84 0.851 -15.042 -1.652 1.00 0.00 N ATOM 1280 CA ASP A 84 0.878 -15.845 -2.864 1.00 0.00 C ATOM 1281 C ASP A 84 2.116 -15.512 -3.651 1.00 0.00 C ATOM 1282 O ASP A 84 2.947 -16.362 -3.897 1.00 0.00 O ATOM 1283 CB ASP A 84 -0.347 -15.591 -3.748 1.00 0.00 C ATOM 1284 CG ASP A 84 -0.456 -16.589 -4.895 1.00 0.00 C ATOM 1285 OD1 ASP A 84 0.213 -16.420 -5.925 1.00 0.00 O ATOM 1286 OD2 ASP A 84 -1.216 -17.580 -4.775 1.00 0.00 O ATOM 0 H ASP A 84 0.056 -14.406 -1.592 1.00 0.00 H new ATOM 0 HA ASP A 84 0.873 -16.894 -2.566 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -1.249 -15.644 -3.138 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -0.295 -14.581 -4.153 1.00 0.00 H new ATOM 1291 N THR A 85 2.287 -14.247 -3.962 1.00 0.00 N ATOM 1292 CA THR A 85 3.414 -13.835 -4.753 1.00 0.00 C ATOM 1293 C THR A 85 4.733 -14.015 -3.952 1.00 0.00 C ATOM 1294 O THR A 85 5.814 -14.214 -4.533 1.00 0.00 O ATOM 1295 CB THR A 85 3.231 -12.379 -5.305 1.00 0.00 C ATOM 1296 OG1 THR A 85 4.186 -12.099 -6.340 1.00 0.00 O ATOM 1297 CG2 THR A 85 3.384 -11.331 -4.214 1.00 0.00 C ATOM 0 H THR A 85 1.661 -13.493 -3.679 1.00 0.00 H new ATOM 0 HA THR A 85 3.478 -14.481 -5.629 1.00 0.00 H new ATOM 0 HB THR A 85 2.218 -12.328 -5.705 1.00 0.00 H new ATOM 0 HG1 THR A 85 3.723 -11.732 -7.122 1.00 0.00 H new ATOM 0 HG21 THR A 85 3.249 -10.338 -4.642 1.00 0.00 H new ATOM 0 HG22 THR A 85 2.634 -11.498 -3.441 1.00 0.00 H new ATOM 0 HG23 THR A 85 4.379 -11.405 -3.775 1.00 0.00 H new ATOM 1305 N ALA A 86 4.626 -14.037 -2.626 1.00 0.00 N ATOM 1306 CA ALA A 86 5.774 -14.241 -1.785 1.00 0.00 C ATOM 1307 C ALA A 86 6.248 -15.694 -1.868 1.00 0.00 C ATOM 1308 O ALA A 86 7.440 -15.941 -2.043 1.00 0.00 O ATOM 1309 CB ALA A 86 5.466 -13.858 -0.378 1.00 0.00 C ATOM 0 H ALA A 86 3.748 -13.915 -2.121 1.00 0.00 H new ATOM 0 HA ALA A 86 6.582 -13.601 -2.139 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.346 -14.019 0.244 1.00 0.00 H new ATOM 0 HB2 ALA A 86 5.183 -12.806 -0.341 1.00 0.00 H new ATOM 0 HB3 ALA A 86 4.643 -14.468 -0.007 1.00 0.00 H new ATOM 1315 N LYS A 87 5.312 -16.656 -1.775 1.00 0.00 N ATOM 1316 CA LYS A 87 5.668 -18.081 -1.885 1.00 0.00 C ATOM 1317 C LYS A 87 6.220 -18.392 -3.270 1.00 0.00 C ATOM 1318 O LYS A 87 7.107 -19.244 -3.429 1.00 0.00 O ATOM 1319 CB LYS A 87 4.507 -19.035 -1.493 1.00 0.00 C ATOM 1320 CG LYS A 87 3.205 -18.872 -2.250 1.00 0.00 C ATOM 1321 CD LYS A 87 2.149 -19.845 -1.746 1.00 0.00 C ATOM 1322 CE LYS A 87 0.830 -19.677 -2.486 1.00 0.00 C ATOM 1323 NZ LYS A 87 -0.204 -20.599 -2.003 1.00 0.00 N ATOM 0 H LYS A 87 4.319 -16.477 -1.626 1.00 0.00 H new ATOM 0 HA LYS A 87 6.455 -18.268 -1.154 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.851 -20.061 -1.625 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.302 -18.902 -0.431 1.00 0.00 H new ATOM 0 HG2 LYS A 87 2.843 -17.850 -2.140 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.377 -19.037 -3.314 1.00 0.00 H new ATOM 0 HD2 LYS A 87 2.508 -20.867 -1.869 1.00 0.00 H new ATOM 0 HD3 LYS A 87 1.990 -19.689 -0.679 1.00 0.00 H new ATOM 0 HE2 LYS A 87 0.480 -18.651 -2.371 1.00 0.00 H new ATOM 0 HE3 LYS A 87 0.991 -19.842 -3.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -1.083 -20.446 -2.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 0.116 -21.580 -2.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -0.379 -20.426 -0.993 1.00 0.00 H new ATOM 1337 N ARG A 88 5.731 -17.657 -4.260 1.00 0.00 N ATOM 1338 CA ARG A 88 6.231 -17.755 -5.624 1.00 0.00 C ATOM 1339 C ARG A 88 7.687 -17.310 -5.671 1.00 0.00 C ATOM 1340 O ARG A 88 8.518 -17.948 -6.323 1.00 0.00 O ATOM 1341 CB ARG A 88 5.373 -16.923 -6.604 1.00 0.00 C ATOM 1342 CG ARG A 88 4.067 -17.582 -7.110 1.00 0.00 C ATOM 1343 CD ARG A 88 3.323 -18.319 -6.015 1.00 0.00 C ATOM 1344 NE ARG A 88 1.893 -18.472 -6.276 1.00 0.00 N ATOM 1345 CZ ARG A 88 1.242 -19.622 -6.421 1.00 0.00 C ATOM 1346 NH1 ARG A 88 1.890 -20.729 -6.771 1.00 0.00 N ATOM 1347 NH2 ARG A 88 -0.070 -19.638 -6.286 1.00 0.00 N ATOM 0 H ARG A 88 4.979 -16.978 -4.140 1.00 0.00 H new ATOM 0 HA ARG A 88 6.164 -18.796 -5.939 1.00 0.00 H new ATOM 0 HB2 ARG A 88 5.114 -15.983 -6.117 1.00 0.00 H new ATOM 0 HB3 ARG A 88 5.987 -16.675 -7.469 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.418 -16.815 -7.532 1.00 0.00 H new ATOM 0 HG3 ARG A 88 4.304 -18.278 -7.915 1.00 0.00 H new ATOM 0 HD2 ARG A 88 3.767 -19.306 -5.887 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.456 -17.785 -5.074 1.00 0.00 H new ATOM 0 HE ARG A 88 1.343 -17.616 -6.354 1.00 0.00 H new ATOM 0 HH11 ARG A 88 2.897 -20.701 -6.931 1.00 0.00 H new ATOM 0 HH12 ARG A 88 1.380 -21.606 -6.879 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -0.571 -18.776 -6.073 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -0.583 -20.513 -6.394 1.00 0.00 H new ATOM 1361 N ASN A 89 8.001 -16.244 -4.938 1.00 0.00 N ATOM 1362 CA ASN A 89 9.365 -15.738 -4.845 1.00 0.00 C ATOM 1363 C ASN A 89 10.237 -16.673 -4.020 1.00 0.00 C ATOM 1364 O ASN A 89 11.416 -16.815 -4.302 1.00 0.00 O ATOM 1365 CB ASN A 89 9.438 -14.295 -4.250 1.00 0.00 C ATOM 1366 CG ASN A 89 8.876 -13.212 -5.155 1.00 0.00 C ATOM 1367 OD1 ASN A 89 8.859 -13.352 -6.368 1.00 0.00 O ATOM 1368 ND2 ASN A 89 8.460 -12.104 -4.581 1.00 0.00 N ATOM 0 H ASN A 89 7.321 -15.711 -4.396 1.00 0.00 H new ATOM 0 HA ASN A 89 9.741 -15.693 -5.867 1.00 0.00 H new ATOM 0 HB2 ASN A 89 8.897 -14.278 -3.304 1.00 0.00 H new ATOM 0 HB3 ASN A 89 10.479 -14.060 -4.026 1.00 0.00 H new ATOM 0 HD21 ASN A 89 8.112 -11.334 -5.152 1.00 0.00 H new ATOM 0 HD22 ASN A 89 8.486 -12.015 -3.565 1.00 0.00 H new ATOM 1375 N GLN A 90 9.651 -17.338 -3.021 1.00 0.00 N ATOM 1376 CA GLN A 90 10.423 -18.229 -2.138 1.00 0.00 C ATOM 1377 C GLN A 90 10.830 -19.501 -2.844 1.00 0.00 C ATOM 1378 O GLN A 90 11.980 -19.922 -2.730 1.00 0.00 O ATOM 1379 CB GLN A 90 9.699 -18.579 -0.814 1.00 0.00 C ATOM 1380 CG GLN A 90 9.261 -17.393 0.050 1.00 0.00 C ATOM 1381 CD GLN A 90 10.282 -16.297 0.112 1.00 0.00 C ATOM 1382 OE1 GLN A 90 11.170 -16.308 0.940 1.00 0.00 O ATOM 1383 NE2 GLN A 90 10.101 -15.312 -0.709 1.00 0.00 N ATOM 0 H GLN A 90 8.657 -17.281 -2.801 1.00 0.00 H new ATOM 0 HA GLN A 90 11.314 -17.658 -1.876 1.00 0.00 H new ATOM 0 HB2 GLN A 90 8.817 -19.174 -1.052 1.00 0.00 H new ATOM 0 HB3 GLN A 90 10.358 -19.211 -0.219 1.00 0.00 H new ATOM 0 HG2 GLN A 90 8.328 -16.990 -0.344 1.00 0.00 H new ATOM 0 HG3 GLN A 90 9.054 -17.745 1.061 1.00 0.00 H new ATOM 0 HE21 GLN A 90 9.341 -15.347 -1.388 1.00 0.00 H new ATOM 0 HE22 GLN A 90 10.719 -14.501 -0.676 1.00 0.00 H new ATOM 1392 N GLN A 91 9.915 -20.124 -3.578 1.00 0.00 N ATOM 1393 CA GLN A 91 10.260 -21.344 -4.297 1.00 0.00 C ATOM 1394 C GLN A 91 11.184 -21.056 -5.465 1.00 0.00 C ATOM 1395 O GLN A 91 11.940 -21.913 -5.882 1.00 0.00 O ATOM 1396 CB GLN A 91 9.016 -22.142 -4.725 1.00 0.00 C ATOM 1397 CG GLN A 91 8.043 -21.393 -5.615 1.00 0.00 C ATOM 1398 CD GLN A 91 6.838 -22.230 -5.962 1.00 0.00 C ATOM 1399 OE1 GLN A 91 6.830 -22.936 -6.967 1.00 0.00 O ATOM 1400 NE2 GLN A 91 5.823 -22.177 -5.130 1.00 0.00 N ATOM 0 H GLN A 91 8.950 -19.813 -3.690 1.00 0.00 H new ATOM 0 HA GLN A 91 10.807 -21.981 -3.602 1.00 0.00 H new ATOM 0 HB2 GLN A 91 9.343 -23.041 -5.247 1.00 0.00 H new ATOM 0 HB3 GLN A 91 8.487 -22.468 -3.829 1.00 0.00 H new ATOM 0 HG2 GLN A 91 7.719 -20.482 -5.112 1.00 0.00 H new ATOM 0 HG3 GLN A 91 8.549 -21.089 -6.531 1.00 0.00 H new ATOM 0 HE21 GLN A 91 5.870 -21.577 -4.306 1.00 0.00 H new ATOM 0 HE22 GLN A 91 4.988 -22.735 -5.308 1.00 0.00 H new ATOM 1409 N ALA A 92 11.137 -19.831 -5.971 1.00 0.00 N ATOM 1410 CA ALA A 92 12.053 -19.426 -7.012 1.00 0.00 C ATOM 1411 C ALA A 92 13.411 -19.086 -6.385 1.00 0.00 C ATOM 1412 O ALA A 92 14.444 -19.184 -7.030 1.00 0.00 O ATOM 1413 CB ALA A 92 11.491 -18.251 -7.801 1.00 0.00 C ATOM 0 H ALA A 92 10.478 -19.111 -5.676 1.00 0.00 H new ATOM 0 HA ALA A 92 12.189 -20.247 -7.716 1.00 0.00 H new ATOM 0 HB1 ALA A 92 12.198 -17.964 -8.579 1.00 0.00 H new ATOM 0 HB2 ALA A 92 10.545 -18.540 -8.259 1.00 0.00 H new ATOM 0 HB3 ALA A 92 11.327 -17.408 -7.130 1.00 0.00 H new ATOM 1419 N GLY A 93 13.380 -18.698 -5.121 1.00 0.00 N ATOM 1420 CA GLY A 93 14.588 -18.411 -4.382 1.00 0.00 C ATOM 1421 C GLY A 93 15.011 -16.969 -4.470 1.00 0.00 C ATOM 1422 O GLY A 93 16.169 -16.656 -4.780 1.00 0.00 O ATOM 0 H GLY A 93 12.521 -18.575 -4.585 1.00 0.00 H new ATOM 0 HA2 GLY A 93 14.437 -18.675 -3.335 1.00 0.00 H new ATOM 0 HA3 GLY A 93 15.394 -19.042 -4.757 1.00 0.00 H new ATOM 1426 N ASN A 94 14.087 -16.091 -4.193 1.00 0.00 N ATOM 1427 CA ASN A 94 14.357 -14.671 -4.188 1.00 0.00 C ATOM 1428 C ASN A 94 14.380 -14.167 -2.780 1.00 0.00 C ATOM 1429 O ASN A 94 13.814 -14.794 -1.882 1.00 0.00 O ATOM 1430 CB ASN A 94 13.331 -13.875 -5.002 1.00 0.00 C ATOM 1431 CG ASN A 94 13.495 -14.046 -6.491 1.00 0.00 C ATOM 1432 OD1 ASN A 94 14.210 -13.289 -7.136 1.00 0.00 O ATOM 1433 ND2 ASN A 94 12.843 -15.028 -7.051 1.00 0.00 N ATOM 0 H ASN A 94 13.124 -16.335 -3.964 1.00 0.00 H new ATOM 0 HA ASN A 94 15.329 -14.525 -4.658 1.00 0.00 H new ATOM 0 HB2 ASN A 94 12.327 -14.188 -4.715 1.00 0.00 H new ATOM 0 HB3 ASN A 94 13.419 -12.818 -4.752 1.00 0.00 H new ATOM 0 HD21 ASN A 94 12.920 -15.184 -8.056 1.00 0.00 H new ATOM 0 HD22 ASN A 94 12.256 -15.640 -6.484 1.00 0.00 H new ATOM 1440 N GLY A 95 15.003 -13.026 -2.586 1.00 0.00 N ATOM 1441 CA GLY A 95 15.120 -12.445 -1.267 1.00 0.00 C ATOM 1442 C GLY A 95 13.874 -11.698 -0.879 1.00 0.00 C ATOM 1443 O GLY A 95 13.720 -11.262 0.267 1.00 0.00 O ATOM 0 H GLY A 95 15.439 -12.480 -3.329 1.00 0.00 H new ATOM 0 HA2 GLY A 95 15.315 -13.232 -0.538 1.00 0.00 H new ATOM 0 HA3 GLY A 95 15.974 -11.768 -1.241 1.00 0.00 H new ATOM 1447 N TRP A 96 12.990 -11.533 -1.845 1.00 0.00 N ATOM 1448 CA TRP A 96 11.723 -10.906 -1.618 1.00 0.00 C ATOM 1449 C TRP A 96 10.853 -11.887 -0.959 1.00 0.00 C ATOM 1450 O TRP A 96 10.267 -12.761 -1.574 1.00 0.00 O ATOM 1451 CB TRP A 96 11.157 -10.340 -2.893 1.00 0.00 C ATOM 1452 CG TRP A 96 12.133 -9.390 -3.445 1.00 0.00 C ATOM 1453 CD1 TRP A 96 12.737 -8.389 -2.754 1.00 0.00 C ATOM 1454 CD2 TRP A 96 12.663 -9.355 -4.756 1.00 0.00 C ATOM 1455 NE1 TRP A 96 13.603 -7.726 -3.539 1.00 0.00 N ATOM 1456 CE2 TRP A 96 13.581 -8.292 -4.788 1.00 0.00 C ATOM 1457 CE3 TRP A 96 12.457 -10.108 -5.913 1.00 0.00 C ATOM 1458 CZ2 TRP A 96 14.285 -7.969 -5.916 1.00 0.00 C ATOM 1459 CZ3 TRP A 96 13.168 -9.776 -7.046 1.00 0.00 C ATOM 1460 CH2 TRP A 96 14.073 -8.709 -7.033 1.00 0.00 C ATOM 0 H TRP A 96 13.141 -11.834 -2.808 1.00 0.00 H new ATOM 0 HA TRP A 96 11.822 -10.043 -0.960 1.00 0.00 H new ATOM 0 HB2 TRP A 96 10.957 -11.138 -3.608 1.00 0.00 H new ATOM 0 HB3 TRP A 96 10.208 -9.841 -2.699 1.00 0.00 H new ATOM 0 HD1 TRP A 96 12.547 -8.158 -1.716 1.00 0.00 H new ATOM 0 HE1 TRP A 96 14.180 -6.935 -3.254 1.00 0.00 H new ATOM 0 HE3 TRP A 96 11.757 -10.931 -5.920 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 14.988 -7.149 -5.917 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 13.025 -10.345 -7.953 1.00 0.00 H new ATOM 0 HH2 TRP A 96 14.616 -8.469 -7.935 1.00 0.00 H new ATOM 1471 N ASP A 97 10.810 -11.715 0.291 1.00 0.00 N ATOM 1472 CA ASP A 97 10.323 -12.698 1.242 1.00 0.00 C ATOM 1473 C ASP A 97 8.893 -12.392 1.607 1.00 0.00 C ATOM 1474 O ASP A 97 8.432 -11.307 1.338 1.00 0.00 O ATOM 1475 CB ASP A 97 11.246 -12.628 2.472 1.00 0.00 C ATOM 1476 CG ASP A 97 11.008 -13.693 3.518 1.00 0.00 C ATOM 1477 OD1 ASP A 97 10.036 -13.597 4.262 1.00 0.00 O ATOM 1478 OD2 ASP A 97 11.822 -14.633 3.617 1.00 0.00 O ATOM 0 H ASP A 97 11.122 -10.851 0.735 1.00 0.00 H new ATOM 0 HA ASP A 97 10.338 -13.704 0.822 1.00 0.00 H new ATOM 0 HB2 ASP A 97 12.280 -12.698 2.134 1.00 0.00 H new ATOM 0 HB3 ASP A 97 11.128 -11.650 2.939 1.00 0.00 H new ATOM 1483 N PHE A 98 8.208 -13.326 2.244 1.00 0.00 N ATOM 1484 CA PHE A 98 6.810 -13.134 2.610 1.00 0.00 C ATOM 1485 C PHE A 98 6.706 -12.098 3.734 1.00 0.00 C ATOM 1486 O PHE A 98 5.670 -11.489 3.927 1.00 0.00 O ATOM 1487 CB PHE A 98 6.136 -14.484 2.989 1.00 0.00 C ATOM 1488 CG PHE A 98 5.922 -14.706 4.461 1.00 0.00 C ATOM 1489 CD1 PHE A 98 6.927 -15.169 5.275 1.00 0.00 C ATOM 1490 CD2 PHE A 98 4.693 -14.431 5.015 1.00 0.00 C ATOM 1491 CE1 PHE A 98 6.707 -15.349 6.627 1.00 0.00 C ATOM 1492 CE2 PHE A 98 4.459 -14.607 6.356 1.00 0.00 C ATOM 1493 CZ PHE A 98 5.465 -15.065 7.168 1.00 0.00 C ATOM 0 H PHE A 98 8.596 -14.228 2.520 1.00 0.00 H new ATOM 0 HA PHE A 98 6.266 -12.750 1.747 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.171 -14.543 2.486 1.00 0.00 H new ATOM 0 HB3 PHE A 98 6.748 -15.298 2.601 1.00 0.00 H new ATOM 0 HD1 PHE A 98 7.896 -15.394 4.855 1.00 0.00 H new ATOM 0 HD2 PHE A 98 3.896 -14.069 4.382 1.00 0.00 H new ATOM 0 HE1 PHE A 98 7.503 -15.711 7.261 1.00 0.00 H new ATOM 0 HE2 PHE A 98 3.486 -14.386 6.770 1.00 0.00 H new ATOM 0 HZ PHE A 98 5.289 -15.203 8.225 1.00 0.00 H new ATOM 1503 N ASP A 99 7.786 -11.949 4.462 1.00 0.00 N ATOM 1504 CA ASP A 99 7.935 -10.934 5.500 1.00 0.00 C ATOM 1505 C ASP A 99 8.219 -9.592 4.834 1.00 0.00 C ATOM 1506 O ASP A 99 7.477 -8.629 5.024 1.00 0.00 O ATOM 1507 CB ASP A 99 9.101 -11.365 6.407 1.00 0.00 C ATOM 1508 CG ASP A 99 9.571 -10.315 7.358 1.00 0.00 C ATOM 1509 OD1 ASP A 99 8.809 -9.864 8.198 1.00 0.00 O ATOM 1510 OD2 ASP A 99 10.716 -9.931 7.300 1.00 0.00 O ATOM 0 H ASP A 99 8.610 -12.540 4.354 1.00 0.00 H new ATOM 0 HA ASP A 99 7.031 -10.831 6.100 1.00 0.00 H new ATOM 0 HB2 ASP A 99 8.795 -12.242 6.977 1.00 0.00 H new ATOM 0 HB3 ASP A 99 9.939 -11.669 5.779 1.00 0.00 H new ATOM 1515 N MET A 100 9.275 -9.556 3.983 1.00 0.00 N ATOM 1516 CA MET A 100 9.673 -8.317 3.237 1.00 0.00 C ATOM 1517 C MET A 100 8.503 -7.798 2.406 1.00 0.00 C ATOM 1518 O MET A 100 8.250 -6.601 2.320 1.00 0.00 O ATOM 1519 CB MET A 100 10.866 -8.585 2.267 1.00 0.00 C ATOM 1520 CG MET A 100 12.167 -9.058 2.912 1.00 0.00 C ATOM 1521 SD MET A 100 13.108 -7.735 3.701 1.00 0.00 S ATOM 1522 CE MET A 100 13.651 -6.775 2.274 1.00 0.00 C ATOM 0 H MET A 100 9.869 -10.363 3.791 1.00 0.00 H new ATOM 0 HA MET A 100 9.972 -7.582 3.984 1.00 0.00 H new ATOM 0 HB2 MET A 100 10.553 -9.333 1.538 1.00 0.00 H new ATOM 0 HB3 MET A 100 11.071 -7.668 1.715 1.00 0.00 H new ATOM 0 HG2 MET A 100 11.937 -9.822 3.655 1.00 0.00 H new ATOM 0 HG3 MET A 100 12.789 -9.530 2.151 1.00 0.00 H new ATOM 0 HE1 MET A 100 14.506 -6.160 2.553 1.00 0.00 H new ATOM 0 HE2 MET A 100 13.938 -7.451 1.469 1.00 0.00 H new ATOM 0 HE3 MET A 100 12.837 -6.133 1.936 1.00 0.00 H new ATOM 1532 N LEU A 101 7.804 -8.713 1.813 1.00 0.00 N ATOM 1533 CA LEU A 101 6.705 -8.425 0.963 1.00 0.00 C ATOM 1534 C LEU A 101 5.417 -8.593 1.770 1.00 0.00 C ATOM 1535 O LEU A 101 4.895 -9.690 1.896 1.00 0.00 O ATOM 1536 CB LEU A 101 6.790 -9.366 -0.273 1.00 0.00 C ATOM 1537 CG LEU A 101 5.862 -9.149 -1.471 1.00 0.00 C ATOM 1538 CD1 LEU A 101 6.399 -9.940 -2.642 1.00 0.00 C ATOM 1539 CD2 LEU A 101 4.454 -9.612 -1.176 1.00 0.00 C ATOM 0 H LEU A 101 7.992 -9.710 1.914 1.00 0.00 H new ATOM 0 HA LEU A 101 6.720 -7.400 0.592 1.00 0.00 H new ATOM 0 HB2 LEU A 101 7.814 -9.320 -0.645 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.626 -10.383 0.083 1.00 0.00 H new ATOM 0 HG LEU A 101 5.829 -8.083 -1.694 1.00 0.00 H new ATOM 0 HD11 LEU A 101 5.750 -9.797 -3.506 1.00 0.00 H new ATOM 0 HD12 LEU A 101 7.405 -9.596 -2.883 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.430 -10.998 -2.383 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.825 -9.442 -2.049 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.463 -10.675 -0.937 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.057 -9.053 -0.329 1.00 0.00 H new ATOM 1551 N THR A 102 5.053 -7.502 2.428 1.00 0.00 N ATOM 1552 CA THR A 102 3.844 -7.256 3.261 1.00 0.00 C ATOM 1553 C THR A 102 4.256 -6.299 4.341 1.00 0.00 C ATOM 1554 O THR A 102 3.489 -5.425 4.775 1.00 0.00 O ATOM 1555 CB THR A 102 3.173 -8.480 3.963 1.00 0.00 C ATOM 1556 OG1 THR A 102 4.128 -9.384 4.540 1.00 0.00 O ATOM 1557 CG2 THR A 102 2.193 -9.198 3.064 1.00 0.00 C ATOM 0 H THR A 102 5.645 -6.672 2.401 1.00 0.00 H new ATOM 0 HA THR A 102 3.089 -6.899 2.561 1.00 0.00 H new ATOM 0 HB THR A 102 2.598 -8.066 4.791 1.00 0.00 H new ATOM 0 HG1 THR A 102 4.542 -9.919 3.831 1.00 0.00 H new ATOM 0 HG21 THR A 102 1.756 -10.040 3.601 1.00 0.00 H new ATOM 0 HG22 THR A 102 1.403 -8.510 2.764 1.00 0.00 H new ATOM 0 HG23 THR A 102 2.712 -9.563 2.178 1.00 0.00 H new ATOM 1661 N ASP A 111 11.289 -0.505 7.518 1.00 0.00 N ATOM 1662 CA ASP A 111 12.594 -0.415 6.867 1.00 0.00 C ATOM 1663 C ASP A 111 12.753 -1.214 5.602 1.00 0.00 C ATOM 1664 O ASP A 111 13.242 -0.689 4.632 1.00 0.00 O ATOM 1665 CB ASP A 111 13.727 -0.756 7.823 1.00 0.00 C ATOM 1666 CG ASP A 111 14.180 0.432 8.643 1.00 0.00 C ATOM 1667 OD1 ASP A 111 13.543 0.743 9.670 1.00 0.00 O ATOM 1668 OD2 ASP A 111 15.186 1.077 8.270 1.00 0.00 O ATOM 0 HA ASP A 111 12.649 0.632 6.568 1.00 0.00 H new ATOM 0 HB2 ASP A 111 13.403 -1.552 8.493 1.00 0.00 H new ATOM 0 HB3 ASP A 111 14.573 -1.142 7.254 1.00 0.00 H new ATOM 1673 N ALA A 112 12.305 -2.459 5.588 1.00 0.00 N ATOM 1674 CA ALA A 112 12.563 -3.374 4.464 1.00 0.00 C ATOM 1675 C ALA A 112 12.150 -2.809 3.099 1.00 0.00 C ATOM 1676 O ALA A 112 12.961 -2.702 2.181 1.00 0.00 O ATOM 1677 CB ALA A 112 11.881 -4.677 4.713 1.00 0.00 C ATOM 0 H ALA A 112 11.756 -2.871 6.343 1.00 0.00 H new ATOM 0 HA ALA A 112 13.643 -3.513 4.415 1.00 0.00 H new ATOM 0 HB1 ALA A 112 12.073 -5.353 3.880 1.00 0.00 H new ATOM 0 HB2 ALA A 112 12.263 -5.118 5.634 1.00 0.00 H new ATOM 0 HB3 ALA A 112 10.807 -4.514 4.808 1.00 0.00 H new ATOM 1683 N GLN A 113 10.898 -2.450 2.964 1.00 0.00 N ATOM 1684 CA GLN A 113 10.437 -1.859 1.702 1.00 0.00 C ATOM 1685 C GLN A 113 10.998 -0.473 1.562 1.00 0.00 C ATOM 1686 O GLN A 113 11.155 0.022 0.450 1.00 0.00 O ATOM 1687 CB GLN A 113 8.909 -1.762 1.584 1.00 0.00 C ATOM 1688 CG GLN A 113 8.153 -2.950 2.120 1.00 0.00 C ATOM 1689 CD GLN A 113 7.802 -2.795 3.586 1.00 0.00 C ATOM 1690 OE1 GLN A 113 6.846 -3.352 4.038 1.00 0.00 O ATOM 1691 NE2 GLN A 113 8.529 -1.951 4.309 1.00 0.00 N ATOM 0 H GLN A 113 10.183 -2.547 3.685 1.00 0.00 H new ATOM 0 HA GLN A 113 10.788 -2.525 0.914 1.00 0.00 H new ATOM 0 HB2 GLN A 113 8.575 -0.869 2.112 1.00 0.00 H new ATOM 0 HB3 GLN A 113 8.648 -1.628 0.534 1.00 0.00 H new ATOM 0 HG2 GLN A 113 7.239 -3.087 1.542 1.00 0.00 H new ATOM 0 HG3 GLN A 113 8.753 -3.850 1.986 1.00 0.00 H new ATOM 0 HE21 GLN A 113 9.340 -1.491 3.894 1.00 0.00 H new ATOM 0 HE22 GLN A 113 8.277 -1.763 5.279 1.00 0.00 H new ATOM 1700 N MET A 114 11.294 0.169 2.703 1.00 0.00 N ATOM 1701 CA MET A 114 11.830 1.505 2.712 1.00 0.00 C ATOM 1702 C MET A 114 13.141 1.658 1.914 1.00 0.00 C ATOM 1703 O MET A 114 13.338 2.690 1.263 1.00 0.00 O ATOM 1704 CB MET A 114 12.005 2.000 4.146 1.00 0.00 C ATOM 1705 CG MET A 114 12.807 3.268 4.298 1.00 0.00 C ATOM 1706 SD MET A 114 12.930 3.811 6.011 1.00 0.00 S ATOM 1707 CE MET A 114 11.205 3.993 6.435 1.00 0.00 C ATOM 0 H MET A 114 11.163 -0.235 3.630 1.00 0.00 H new ATOM 0 HA MET A 114 11.098 2.129 2.199 1.00 0.00 H new ATOM 0 HB2 MET A 114 11.018 2.160 4.580 1.00 0.00 H new ATOM 0 HB3 MET A 114 12.486 1.214 4.728 1.00 0.00 H new ATOM 0 HG2 MET A 114 13.809 3.110 3.898 1.00 0.00 H new ATOM 0 HG3 MET A 114 12.348 4.057 3.703 1.00 0.00 H new ATOM 0 HE1 MET A 114 11.108 4.670 7.283 1.00 0.00 H new ATOM 0 HE2 MET A 114 10.662 4.400 5.582 1.00 0.00 H new ATOM 0 HE3 MET A 114 10.791 3.020 6.699 1.00 0.00 H new ATOM 1717 N GLN A 115 14.039 0.640 1.948 1.00 0.00 N ATOM 1718 CA GLN A 115 15.306 0.754 1.185 1.00 0.00 C ATOM 1719 C GLN A 115 15.028 0.805 -0.302 1.00 0.00 C ATOM 1720 O GLN A 115 15.769 1.445 -1.059 1.00 0.00 O ATOM 1721 CB GLN A 115 16.350 -0.359 1.468 1.00 0.00 C ATOM 1722 CG GLN A 115 16.833 -0.470 2.908 1.00 0.00 C ATOM 1723 CD GLN A 115 16.078 -1.510 3.688 1.00 0.00 C ATOM 1724 OE1 GLN A 115 15.641 -2.508 3.137 1.00 0.00 O ATOM 1725 NE2 GLN A 115 15.931 -1.308 4.958 1.00 0.00 N ATOM 0 H GLN A 115 13.919 -0.229 2.469 1.00 0.00 H new ATOM 0 HA GLN A 115 15.753 1.685 1.535 1.00 0.00 H new ATOM 0 HB2 GLN A 115 15.919 -1.317 1.175 1.00 0.00 H new ATOM 0 HB3 GLN A 115 17.215 -0.189 0.827 1.00 0.00 H new ATOM 0 HG2 GLN A 115 17.895 -0.715 2.914 1.00 0.00 H new ATOM 0 HG3 GLN A 115 16.726 0.497 3.400 1.00 0.00 H new ATOM 0 HE21 GLN A 115 16.309 -0.463 5.387 1.00 0.00 H new ATOM 0 HE22 GLN A 115 15.438 -1.994 5.530 1.00 0.00 H new ATOM 1734 N TYR A 116 13.945 0.124 -0.716 1.00 0.00 N ATOM 1735 CA TYR A 116 13.474 0.091 -2.081 1.00 0.00 C ATOM 1736 C TYR A 116 14.330 -0.750 -3.028 1.00 0.00 C ATOM 1737 O TYR A 116 15.530 -0.520 -3.211 1.00 0.00 O ATOM 1738 CB TYR A 116 13.199 1.512 -2.672 1.00 0.00 C ATOM 1739 CG TYR A 116 12.899 1.504 -4.166 1.00 0.00 C ATOM 1740 CD1 TYR A 116 11.665 1.094 -4.645 1.00 0.00 C ATOM 1741 CD2 TYR A 116 13.876 1.874 -5.096 1.00 0.00 C ATOM 1742 CE1 TYR A 116 11.408 1.049 -5.999 1.00 0.00 C ATOM 1743 CE2 TYR A 116 13.622 1.837 -6.452 1.00 0.00 C ATOM 1744 CZ TYR A 116 12.388 1.420 -6.897 1.00 0.00 C ATOM 1745 OH TYR A 116 12.131 1.367 -8.243 1.00 0.00 O ATOM 0 H TYR A 116 13.369 -0.428 -0.081 1.00 0.00 H new ATOM 0 HA TYR A 116 12.516 -0.424 -2.010 1.00 0.00 H new ATOM 0 HB2 TYR A 116 12.357 1.959 -2.143 1.00 0.00 H new ATOM 0 HB3 TYR A 116 14.065 2.147 -2.487 1.00 0.00 H new ATOM 0 HD1 TYR A 116 10.893 0.805 -3.947 1.00 0.00 H new ATOM 0 HD2 TYR A 116 14.846 2.194 -4.747 1.00 0.00 H new ATOM 0 HE1 TYR A 116 10.442 0.724 -6.356 1.00 0.00 H new ATOM 0 HE2 TYR A 116 14.384 2.133 -7.158 1.00 0.00 H new ATOM 0 HH TYR A 116 12.923 1.662 -8.739 1.00 0.00 H new ATOM 1755 N ASP A 117 13.680 -1.713 -3.624 1.00 0.00 N ATOM 1756 CA ASP A 117 14.211 -2.523 -4.690 1.00 0.00 C ATOM 1757 C ASP A 117 13.045 -2.677 -5.620 1.00 0.00 C ATOM 1758 O ASP A 117 11.921 -2.870 -5.113 1.00 0.00 O ATOM 1759 CB ASP A 117 14.645 -3.920 -4.204 1.00 0.00 C ATOM 1760 CG ASP A 117 15.349 -4.701 -5.292 1.00 0.00 C ATOM 1761 OD1 ASP A 117 14.693 -5.129 -6.227 1.00 0.00 O ATOM 1762 OD2 ASP A 117 16.582 -4.898 -5.203 1.00 0.00 O ATOM 0 H ASP A 117 12.725 -1.966 -3.370 1.00 0.00 H new ATOM 0 HA ASP A 117 15.095 -2.066 -5.135 1.00 0.00 H new ATOM 0 HB2 ASP A 117 15.308 -3.816 -3.345 1.00 0.00 H new ATOM 0 HB3 ASP A 117 13.770 -4.475 -3.866 1.00 0.00 H new ATOM 1767 N PRO A 118 13.225 -2.523 -6.948 1.00 0.00 N ATOM 1768 CA PRO A 118 12.121 -2.633 -7.898 1.00 0.00 C ATOM 1769 C PRO A 118 11.313 -3.918 -7.720 1.00 0.00 C ATOM 1770 O PRO A 118 10.132 -3.837 -7.478 1.00 0.00 O ATOM 1771 CB PRO A 118 12.812 -2.615 -9.257 1.00 0.00 C ATOM 1772 CG PRO A 118 14.068 -1.860 -9.022 1.00 0.00 C ATOM 1773 CD PRO A 118 14.501 -2.205 -7.626 1.00 0.00 C ATOM 0 HA PRO A 118 11.396 -1.830 -7.765 1.00 0.00 H new ATOM 0 HB2 PRO A 118 13.016 -3.625 -9.613 1.00 0.00 H new ATOM 0 HB3 PRO A 118 12.192 -2.131 -10.012 1.00 0.00 H new ATOM 0 HG2 PRO A 118 14.832 -2.138 -9.748 1.00 0.00 H new ATOM 0 HG3 PRO A 118 13.904 -0.787 -9.126 1.00 0.00 H new ATOM 0 HD2 PRO A 118 15.186 -3.053 -7.614 1.00 0.00 H new ATOM 0 HD3 PRO A 118 15.016 -1.373 -7.146 1.00 0.00 H new ATOM 1781 N GLY A 119 11.964 -5.085 -7.830 1.00 0.00 N ATOM 1782 CA GLY A 119 11.313 -6.386 -7.558 1.00 0.00 C ATOM 1783 C GLY A 119 10.403 -6.440 -6.320 1.00 0.00 C ATOM 1784 O GLY A 119 9.258 -6.879 -6.417 1.00 0.00 O ATOM 0 H GLY A 119 12.943 -5.160 -8.106 1.00 0.00 H new ATOM 0 HA2 GLY A 119 10.722 -6.663 -8.431 1.00 0.00 H new ATOM 0 HA3 GLY A 119 12.090 -7.142 -7.446 1.00 0.00 H new ATOM 1788 N LEU A 120 10.879 -5.949 -5.190 1.00 0.00 N ATOM 1789 CA LEU A 120 10.097 -5.999 -3.949 1.00 0.00 C ATOM 1790 C LEU A 120 8.905 -5.042 -4.070 1.00 0.00 C ATOM 1791 O LEU A 120 7.752 -5.442 -3.880 1.00 0.00 O ATOM 1792 CB LEU A 120 10.976 -5.562 -2.771 1.00 0.00 C ATOM 1793 CG LEU A 120 10.314 -5.558 -1.391 1.00 0.00 C ATOM 1794 CD1 LEU A 120 9.790 -6.947 -1.026 1.00 0.00 C ATOM 1795 CD2 LEU A 120 11.295 -5.062 -0.345 1.00 0.00 C ATOM 0 H LEU A 120 11.796 -5.512 -5.097 1.00 0.00 H new ATOM 0 HA LEU A 120 9.743 -7.016 -3.781 1.00 0.00 H new ATOM 0 HB2 LEU A 120 11.845 -6.219 -2.731 1.00 0.00 H new ATOM 0 HB3 LEU A 120 11.346 -4.557 -2.975 1.00 0.00 H new ATOM 0 HG LEU A 120 9.461 -4.881 -1.422 1.00 0.00 H new ATOM 0 HD11 LEU A 120 9.325 -6.913 -0.041 1.00 0.00 H new ATOM 0 HD12 LEU A 120 9.053 -7.263 -1.764 1.00 0.00 H new ATOM 0 HD13 LEU A 120 10.618 -7.656 -1.013 1.00 0.00 H new ATOM 0 HD21 LEU A 120 10.815 -5.063 0.634 1.00 0.00 H new ATOM 0 HD22 LEU A 120 12.165 -5.718 -0.323 1.00 0.00 H new ATOM 0 HD23 LEU A 120 11.610 -4.049 -0.594 1.00 0.00 H new ATOM 1807 N PHE A 121 9.205 -3.790 -4.446 1.00 0.00 N ATOM 1808 CA PHE A 121 8.204 -2.729 -4.585 1.00 0.00 C ATOM 1809 C PHE A 121 7.110 -3.093 -5.604 1.00 0.00 C ATOM 1810 O PHE A 121 5.925 -2.856 -5.371 1.00 0.00 O ATOM 1811 CB PHE A 121 8.882 -1.403 -4.974 1.00 0.00 C ATOM 1812 CG PHE A 121 7.932 -0.237 -5.124 1.00 0.00 C ATOM 1813 CD1 PHE A 121 7.428 0.418 -4.007 1.00 0.00 C ATOM 1814 CD2 PHE A 121 7.543 0.199 -6.382 1.00 0.00 C ATOM 1815 CE1 PHE A 121 6.556 1.483 -4.147 1.00 0.00 C ATOM 1816 CE2 PHE A 121 6.673 1.262 -6.526 1.00 0.00 C ATOM 1817 CZ PHE A 121 6.178 1.905 -5.410 1.00 0.00 C ATOM 0 H PHE A 121 10.154 -3.486 -4.663 1.00 0.00 H new ATOM 0 HA PHE A 121 7.717 -2.612 -3.617 1.00 0.00 H new ATOM 0 HB2 PHE A 121 9.627 -1.154 -4.218 1.00 0.00 H new ATOM 0 HB3 PHE A 121 9.416 -1.544 -5.914 1.00 0.00 H new ATOM 0 HD1 PHE A 121 7.720 0.092 -3.019 1.00 0.00 H new ATOM 0 HD2 PHE A 121 7.925 -0.299 -7.261 1.00 0.00 H new ATOM 0 HE1 PHE A 121 6.171 1.985 -3.272 1.00 0.00 H new ATOM 0 HE2 PHE A 121 6.380 1.590 -7.512 1.00 0.00 H new ATOM 0 HZ PHE A 121 5.497 2.736 -5.522 1.00 0.00 H new ATOM 1827 N ALA A 122 7.514 -3.683 -6.699 1.00 0.00 N ATOM 1828 CA ALA A 122 6.608 -4.053 -7.768 1.00 0.00 C ATOM 1829 C ALA A 122 5.640 -5.103 -7.307 1.00 0.00 C ATOM 1830 O ALA A 122 4.436 -5.003 -7.562 1.00 0.00 O ATOM 1831 CB ALA A 122 7.381 -4.561 -8.977 1.00 0.00 C ATOM 0 H ALA A 122 8.488 -3.924 -6.880 1.00 0.00 H new ATOM 0 HA ALA A 122 6.049 -3.162 -8.055 1.00 0.00 H new ATOM 0 HB1 ALA A 122 6.682 -4.833 -9.768 1.00 0.00 H new ATOM 0 HB2 ALA A 122 8.049 -3.778 -9.337 1.00 0.00 H new ATOM 0 HB3 ALA A 122 7.966 -5.436 -8.693 1.00 0.00 H new ATOM 1837 N GLN A 123 6.141 -6.095 -6.580 1.00 0.00 N ATOM 1838 CA GLN A 123 5.288 -7.167 -6.161 1.00 0.00 C ATOM 1839 C GLN A 123 4.360 -6.703 -5.057 1.00 0.00 C ATOM 1840 O GLN A 123 3.185 -7.047 -5.063 1.00 0.00 O ATOM 1841 CB GLN A 123 6.085 -8.408 -5.733 1.00 0.00 C ATOM 1842 CG GLN A 123 7.062 -8.915 -6.789 1.00 0.00 C ATOM 1843 CD GLN A 123 6.410 -9.260 -8.117 1.00 0.00 C ATOM 1844 OE1 GLN A 123 7.024 -9.083 -9.171 1.00 0.00 O ATOM 1845 NE2 GLN A 123 5.215 -9.829 -8.085 1.00 0.00 N ATOM 0 H GLN A 123 7.113 -6.168 -6.281 1.00 0.00 H new ATOM 0 HA GLN A 123 4.685 -7.463 -7.020 1.00 0.00 H new ATOM 0 HB2 GLN A 123 6.638 -8.175 -4.823 1.00 0.00 H new ATOM 0 HB3 GLN A 123 5.387 -9.208 -5.486 1.00 0.00 H new ATOM 0 HG2 GLN A 123 7.826 -8.156 -6.957 1.00 0.00 H new ATOM 0 HG3 GLN A 123 7.570 -9.799 -6.405 1.00 0.00 H new ATOM 0 HE21 GLN A 123 4.736 -9.959 -7.194 1.00 0.00 H new ATOM 0 HE22 GLN A 123 4.773 -10.137 -8.951 1.00 0.00 H new ATOM 1854 N ILE A 124 4.873 -5.880 -4.136 1.00 0.00 N ATOM 1855 CA ILE A 124 4.046 -5.381 -3.050 1.00 0.00 C ATOM 1856 C ILE A 124 2.941 -4.457 -3.566 1.00 0.00 C ATOM 1857 O ILE A 124 1.823 -4.535 -3.100 1.00 0.00 O ATOM 1858 CB ILE A 124 4.845 -4.694 -1.891 1.00 0.00 C ATOM 1859 CG1 ILE A 124 5.583 -3.437 -2.355 1.00 0.00 C ATOM 1860 CG2 ILE A 124 5.795 -5.669 -1.243 1.00 0.00 C ATOM 1861 CD1 ILE A 124 6.336 -2.708 -1.257 1.00 0.00 C ATOM 0 H ILE A 124 5.840 -5.554 -4.126 1.00 0.00 H new ATOM 0 HA ILE A 124 3.592 -6.270 -2.612 1.00 0.00 H new ATOM 0 HB ILE A 124 4.115 -4.375 -1.147 1.00 0.00 H new ATOM 0 HG12 ILE A 124 6.287 -3.713 -3.140 1.00 0.00 H new ATOM 0 HG13 ILE A 124 4.862 -2.752 -2.801 1.00 0.00 H new ATOM 0 HG21 ILE A 124 6.339 -5.169 -0.441 1.00 0.00 H new ATOM 0 HG22 ILE A 124 5.232 -6.507 -0.832 1.00 0.00 H new ATOM 0 HG23 ILE A 124 6.502 -6.037 -1.986 1.00 0.00 H new ATOM 0 HD11 ILE A 124 6.829 -1.830 -1.675 1.00 0.00 H new ATOM 0 HD12 ILE A 124 5.637 -2.396 -0.481 1.00 0.00 H new ATOM 0 HD13 ILE A 124 7.084 -3.373 -0.825 1.00 0.00 H new ATOM 1873 N GLN A 125 3.246 -3.628 -4.559 1.00 0.00 N ATOM 1874 CA GLN A 125 2.256 -2.705 -5.117 1.00 0.00 C ATOM 1875 C GLN A 125 1.144 -3.477 -5.823 1.00 0.00 C ATOM 1876 O GLN A 125 -0.067 -3.214 -5.613 1.00 0.00 O ATOM 1877 CB GLN A 125 2.888 -1.760 -6.125 1.00 0.00 C ATOM 1878 CG GLN A 125 1.886 -0.767 -6.677 1.00 0.00 C ATOM 1879 CD GLN A 125 2.353 -0.073 -7.927 1.00 0.00 C ATOM 1880 OE1 GLN A 125 3.125 -0.621 -8.717 1.00 0.00 O ATOM 1881 NE2 GLN A 125 1.864 1.112 -8.136 1.00 0.00 N ATOM 0 H GLN A 125 4.167 -3.574 -4.995 1.00 0.00 H new ATOM 0 HA GLN A 125 1.849 -2.130 -4.285 1.00 0.00 H new ATOM 0 HB2 GLN A 125 3.709 -1.222 -5.652 1.00 0.00 H new ATOM 0 HB3 GLN A 125 3.316 -2.337 -6.945 1.00 0.00 H new ATOM 0 HG2 GLN A 125 0.951 -1.286 -6.887 1.00 0.00 H new ATOM 0 HG3 GLN A 125 1.671 -0.018 -5.914 1.00 0.00 H new ATOM 0 HE21 GLN A 125 1.228 1.529 -7.456 1.00 0.00 H new ATOM 0 HE22 GLN A 125 2.116 1.626 -8.980 1.00 0.00 H new ATOM 1890 N ALA A 126 1.555 -4.414 -6.664 1.00 0.00 N ATOM 1891 CA ALA A 126 0.640 -5.233 -7.428 1.00 0.00 C ATOM 1892 C ALA A 126 -0.254 -6.035 -6.505 1.00 0.00 C ATOM 1893 O ALA A 126 -1.473 -6.012 -6.634 1.00 0.00 O ATOM 1894 CB ALA A 126 1.414 -6.162 -8.347 1.00 0.00 C ATOM 0 H ALA A 126 2.539 -4.625 -6.833 1.00 0.00 H new ATOM 0 HA ALA A 126 0.012 -4.579 -8.034 1.00 0.00 H new ATOM 0 HB1 ALA A 126 0.716 -6.774 -8.918 1.00 0.00 H new ATOM 0 HB2 ALA A 126 2.023 -5.572 -9.032 1.00 0.00 H new ATOM 0 HB3 ALA A 126 2.060 -6.808 -7.752 1.00 0.00 H new ATOM 1900 N ALA A 127 0.349 -6.683 -5.527 1.00 0.00 N ATOM 1901 CA ALA A 127 -0.390 -7.515 -4.607 1.00 0.00 C ATOM 1902 C ALA A 127 -1.291 -6.678 -3.699 1.00 0.00 C ATOM 1903 O ALA A 127 -2.400 -7.119 -3.338 1.00 0.00 O ATOM 1904 CB ALA A 127 0.552 -8.385 -3.801 1.00 0.00 C ATOM 0 H ALA A 127 1.353 -6.647 -5.352 1.00 0.00 H new ATOM 0 HA ALA A 127 -1.039 -8.169 -5.189 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -0.024 -9.005 -3.113 1.00 0.00 H new ATOM 0 HB2 ALA A 127 1.123 -9.024 -4.474 1.00 0.00 H new ATOM 0 HB3 ALA A 127 1.236 -7.753 -3.234 1.00 0.00 H new ATOM 1910 N ALA A 128 -0.832 -5.467 -3.343 1.00 0.00 N ATOM 1911 CA ALA A 128 -1.605 -4.577 -2.520 1.00 0.00 C ATOM 1912 C ALA A 128 -2.866 -4.192 -3.216 1.00 0.00 C ATOM 1913 O ALA A 128 -3.878 -4.487 -2.753 1.00 0.00 O ATOM 1914 CB ALA A 128 -0.826 -3.335 -2.146 1.00 0.00 C ATOM 0 H ALA A 128 0.077 -5.098 -3.623 1.00 0.00 H new ATOM 0 HA ALA A 128 -1.845 -5.111 -1.601 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -1.447 -2.690 -1.524 1.00 0.00 H new ATOM 0 HB2 ALA A 128 0.069 -3.620 -1.593 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -0.539 -2.800 -3.051 1.00 0.00 H new ATOM 1920 N THR A 129 -2.769 -3.555 -4.338 1.00 0.00 N ATOM 1921 CA THR A 129 -3.981 -3.125 -5.078 1.00 0.00 C ATOM 1922 C THR A 129 -4.982 -4.309 -5.346 1.00 0.00 C ATOM 1923 O THR A 129 -6.267 -4.191 -5.158 1.00 0.00 O ATOM 1924 CB THR A 129 -3.555 -2.460 -6.399 1.00 0.00 C ATOM 1925 OG1 THR A 129 -2.599 -3.307 -7.083 1.00 0.00 O ATOM 1926 CG2 THR A 129 -2.915 -1.113 -6.128 1.00 0.00 C ATOM 0 H THR A 129 -1.886 -3.308 -4.785 1.00 0.00 H new ATOM 0 HA THR A 129 -4.518 -2.409 -4.456 1.00 0.00 H new ATOM 0 HB THR A 129 -4.440 -2.319 -7.020 1.00 0.00 H new ATOM 0 HG1 THR A 129 -1.709 -3.177 -6.693 1.00 0.00 H new ATOM 0 HG21 THR A 129 -2.619 -0.655 -7.071 1.00 0.00 H new ATOM 0 HG22 THR A 129 -3.630 -0.466 -5.619 1.00 0.00 H new ATOM 0 HG23 THR A 129 -2.036 -1.248 -5.498 1.00 0.00 H new ATOM 1934 N LYS A 130 -4.372 -5.480 -5.584 1.00 0.00 N ATOM 1935 CA LYS A 130 -5.061 -6.694 -5.991 1.00 0.00 C ATOM 1936 C LYS A 130 -5.865 -7.200 -4.820 1.00 0.00 C ATOM 1937 O LYS A 130 -6.763 -8.006 -4.956 1.00 0.00 O ATOM 1938 CB LYS A 130 -4.034 -7.725 -6.468 1.00 0.00 C ATOM 1939 CG LYS A 130 -4.588 -8.907 -7.242 1.00 0.00 C ATOM 1940 CD LYS A 130 -3.444 -9.781 -7.742 1.00 0.00 C ATOM 1941 CE LYS A 130 -3.940 -10.961 -8.555 1.00 0.00 C ATOM 1942 NZ LYS A 130 -4.593 -10.540 -9.813 1.00 0.00 N ATOM 0 H LYS A 130 -3.363 -5.602 -5.494 1.00 0.00 H new ATOM 0 HA LYS A 130 -5.741 -6.500 -6.820 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -3.302 -7.216 -7.095 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -3.499 -8.105 -5.598 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -5.252 -9.491 -6.605 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -5.183 -8.555 -8.084 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -2.769 -9.180 -8.351 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -2.868 -10.144 -6.891 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -3.102 -11.619 -8.786 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -4.645 -11.540 -7.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -4.763 -11.373 -10.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -5.500 -10.079 -9.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -3.976 -9.871 -10.317 1.00 0.00 H new ATOM 1956 N ALA A 131 -5.441 -6.779 -3.683 1.00 0.00 N ATOM 1957 CA ALA A 131 -6.121 -6.895 -2.446 1.00 0.00 C ATOM 1958 C ALA A 131 -7.094 -5.710 -2.258 1.00 0.00 C ATOM 1959 O ALA A 131 -8.310 -5.884 -2.304 1.00 0.00 O ATOM 1960 CB ALA A 131 -5.058 -6.906 -1.405 1.00 0.00 C ATOM 0 H ALA A 131 -4.541 -6.309 -3.588 1.00 0.00 H new ATOM 0 HA ALA A 131 -6.728 -7.799 -2.390 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -5.515 -6.994 -0.419 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -4.393 -7.753 -1.573 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -4.487 -5.979 -1.459 1.00 0.00 H new ATOM 1966 N TRP A 132 -6.527 -4.504 -2.194 1.00 0.00 N ATOM 1967 CA TRP A 132 -7.171 -3.236 -1.772 1.00 0.00 C ATOM 1968 C TRP A 132 -8.189 -2.657 -2.772 1.00 0.00 C ATOM 1969 O TRP A 132 -8.343 -1.453 -2.892 1.00 0.00 O ATOM 1970 CB TRP A 132 -6.135 -2.135 -1.429 1.00 0.00 C ATOM 1971 CG TRP A 132 -5.147 -2.503 -0.369 1.00 0.00 C ATOM 1972 CD1 TRP A 132 -4.733 -3.732 -0.107 1.00 0.00 C ATOM 1973 CD2 TRP A 132 -4.439 -1.650 0.557 1.00 0.00 C ATOM 1974 NE1 TRP A 132 -3.764 -3.745 0.781 1.00 0.00 N ATOM 1975 CE2 TRP A 132 -3.559 -2.491 1.243 1.00 0.00 C ATOM 1976 CE3 TRP A 132 -4.418 -0.273 0.870 1.00 0.00 C ATOM 1977 CZ2 TRP A 132 -2.682 -2.026 2.186 1.00 0.00 C ATOM 1978 CZ3 TRP A 132 -3.549 0.156 1.813 1.00 0.00 C ATOM 1979 CH2 TRP A 132 -2.691 -0.713 2.446 1.00 0.00 C ATOM 0 H TRP A 132 -5.549 -4.367 -2.448 1.00 0.00 H new ATOM 0 HA TRP A 132 -7.724 -3.526 -0.879 1.00 0.00 H new ATOM 0 HB2 TRP A 132 -5.591 -1.874 -2.337 1.00 0.00 H new ATOM 0 HB3 TRP A 132 -6.670 -1.241 -1.110 1.00 0.00 H new ATOM 0 HD1 TRP A 132 -5.142 -4.619 -0.568 1.00 0.00 H new ATOM 0 HE1 TRP A 132 -3.247 -4.573 1.076 1.00 0.00 H new ATOM 0 HE3 TRP A 132 -5.079 0.419 0.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 -2.008 -2.694 2.701 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 -3.528 1.204 2.075 1.00 0.00 H new ATOM 0 HH2 TRP A 132 -2.000 -0.322 3.179 1.00 0.00 H new ATOM 1990 N ARG A 133 -8.787 -3.472 -3.530 1.00 0.00 N ATOM 1991 CA ARG A 133 -9.938 -3.031 -4.340 1.00 0.00 C ATOM 1992 C ARG A 133 -11.372 -3.679 -4.064 1.00 0.00 C ATOM 1993 O ARG A 133 -12.365 -2.973 -4.065 1.00 0.00 O ATOM 1994 CB ARG A 133 -9.577 -2.985 -5.845 1.00 0.00 C ATOM 1995 CG ARG A 133 -10.746 -2.692 -6.804 1.00 0.00 C ATOM 1996 CD ARG A 133 -11.600 -3.923 -7.056 1.00 0.00 C ATOM 1997 NE ARG A 133 -12.982 -3.599 -7.454 1.00 0.00 N ATOM 1998 CZ ARG A 133 -13.551 -3.936 -8.633 1.00 0.00 C ATOM 1999 NH1 ARG A 133 -12.814 -4.435 -9.623 1.00 0.00 N ATOM 2000 NH2 ARG A 133 -14.850 -3.775 -8.803 1.00 0.00 N ATOM 0 H ARG A 133 -8.535 -4.454 -3.638 1.00 0.00 H new ATOM 0 HA ARG A 133 -10.111 -2.022 -3.966 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -8.811 -2.224 -5.993 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -9.134 -3.941 -6.123 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -11.367 -1.900 -6.386 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -10.353 -2.323 -7.752 1.00 0.00 H new ATOM 0 HD2 ARG A 133 -11.136 -4.526 -7.837 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -11.622 -4.533 -6.153 1.00 0.00 H new ATOM 0 HE ARG A 133 -13.554 -3.080 -6.788 1.00 0.00 H new ATOM 0 HH11 ARG A 133 -11.811 -4.566 -9.496 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -13.253 -4.686 -10.509 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -15.420 -3.398 -8.046 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -15.283 -4.028 -9.691 1.00 0.00 H new ATOM 2014 N LYS A 134 -11.431 -4.995 -3.826 1.00 0.00 N ATOM 2015 CA LYS A 134 -12.656 -5.874 -4.123 1.00 0.00 C ATOM 2016 C LYS A 134 -13.986 -5.669 -3.338 1.00 0.00 C ATOM 2017 O LYS A 134 -14.698 -6.644 -3.097 1.00 0.00 O ATOM 2018 CB LYS A 134 -12.308 -7.376 -4.095 1.00 0.00 C ATOM 2019 CG LYS A 134 -11.304 -7.903 -5.123 1.00 0.00 C ATOM 2020 CD LYS A 134 -9.859 -7.760 -4.679 1.00 0.00 C ATOM 2021 CE LYS A 134 -9.226 -6.477 -5.156 1.00 0.00 C ATOM 2022 NZ LYS A 134 -8.943 -6.487 -6.612 1.00 0.00 N ATOM 0 H LYS A 134 -10.652 -5.516 -3.423 1.00 0.00 H new ATOM 0 HA LYS A 134 -12.891 -5.498 -5.119 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -11.923 -7.611 -3.103 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -13.235 -7.935 -4.218 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -11.514 -8.954 -5.320 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -11.443 -7.369 -6.063 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -9.812 -7.800 -3.591 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -9.283 -8.606 -5.054 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -9.887 -5.642 -4.924 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -8.297 -6.310 -4.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -8.215 -5.777 -6.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -8.603 -7.429 -6.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -9.813 -6.262 -7.136 1.00 0.00 H new ATOM 2036 N LEU A 135 -14.368 -4.477 -3.046 1.00 0.00 N ATOM 2037 CA LEU A 135 -15.613 -4.234 -2.273 1.00 0.00 C ATOM 2038 C LEU A 135 -16.818 -4.076 -3.186 1.00 0.00 C ATOM 2039 O LEU A 135 -16.673 -4.012 -4.396 1.00 0.00 O ATOM 2040 CB LEU A 135 -15.481 -2.952 -1.452 1.00 0.00 C ATOM 2041 CG LEU A 135 -14.689 -2.994 -0.141 1.00 0.00 C ATOM 2042 CD1 LEU A 135 -13.425 -3.797 -0.281 1.00 0.00 C ATOM 2043 CD2 LEU A 135 -14.318 -1.596 0.218 1.00 0.00 C ATOM 0 H LEU A 135 -13.863 -3.632 -3.313 1.00 0.00 H new ATOM 0 HA LEU A 135 -15.759 -5.099 -1.625 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -15.023 -2.197 -2.091 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -16.487 -2.604 -1.219 1.00 0.00 H new ATOM 0 HG LEU A 135 -15.308 -3.461 0.625 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -12.891 -3.803 0.669 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -13.673 -4.820 -0.565 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -12.793 -3.351 -1.049 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -13.752 -1.598 1.150 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -13.708 -1.166 -0.576 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -15.222 -1.000 0.344 1.00 0.00 H new ATOM 2055 N PRO A 136 -18.034 -4.093 -2.633 1.00 0.00 N ATOM 2056 CA PRO A 136 -19.215 -3.694 -3.384 1.00 0.00 C ATOM 2057 C PRO A 136 -19.219 -2.165 -3.582 1.00 0.00 C ATOM 2058 O PRO A 136 -18.564 -1.424 -2.820 1.00 0.00 O ATOM 2059 CB PRO A 136 -20.386 -4.110 -2.479 1.00 0.00 C ATOM 2060 CG PRO A 136 -19.810 -4.235 -1.115 1.00 0.00 C ATOM 2061 CD PRO A 136 -18.369 -4.599 -1.283 1.00 0.00 C ATOM 0 HA PRO A 136 -19.263 -4.147 -4.374 1.00 0.00 H new ATOM 0 HB2 PRO A 136 -21.183 -3.366 -2.502 1.00 0.00 H new ATOM 0 HB3 PRO A 136 -20.821 -5.053 -2.809 1.00 0.00 H new ATOM 0 HG2 PRO A 136 -19.910 -3.299 -0.566 1.00 0.00 H new ATOM 0 HG3 PRO A 136 -20.337 -4.998 -0.542 1.00 0.00 H new ATOM 0 HD2 PRO A 136 -17.747 -4.137 -0.516 1.00 0.00 H new ATOM 0 HD3 PRO A 136 -18.217 -5.676 -1.210 1.00 0.00 H new