USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=25 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 113 GLN :FLIP amide:sc= -1.51! C(o=-5.5!,f=-2.6!) USER MOD Set 1.2: A 116 TYR OH : rot 69:sc= -1.12 USER MOD Set 2.1: A 89 ASN : amide:sc= 1.59 K(o=3.2,f=-1.3!) USER MOD Set 2.2: A 94 ASN : amide:sc= 0.606 K(o=3.2,f=1.5) USER MOD Set 2.3: A 123 GLN : amide:sc= 1.05 K(o=3.2,f=-1.3) USER MOD Set 3.1: A 82 CYS SG : rot -84:sc= -4.32! USER MOD Set 3.2: A 102 THR OG1 : rot 178:sc= 1.36 USER MOD Set 4.1: A 59 ASN : amide:sc= 0.975 K(o=3.4,f=-8.3!) USER MOD Set 4.2: A 75 LYS NZ :NH3+ 158:sc= 2.45 (180deg=-0.244) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HE2:sc= -0.0403 K(o=-0.04,f=-1.2) USER MOD Single : A 17 ASN : amide:sc= 0.684 K(o=0.68,f=-5.1!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 160:sc= -0.0978 (180deg=-0.58) USER MOD Single : A 29 THR OG1 : rot 88:sc= 1.26 USER MOD Single : A 32 SER OG : rot 73:sc= 1.16 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 103:sc= 2.18 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -149:sc= 0.0015 USER MOD Single : A 47 SER OG : rot 93:sc= 1.29 USER MOD Single : A 51 ASN : amide:sc= 0.347 X(o=0.35,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0601 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 73:sc= 0.13 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 107:sc= 0.178 USER MOD Single : A 81 ASN : amide:sc= 0.546 K(o=0.55,f=-1.5) USER MOD Single : A 85 THR OG1 : rot 100:sc= 1.26 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 0.949 K(o=0.95,f=-0.078) USER MOD Single : A 91 GLN : amide:sc= -0.297 K(o=-0.3,f=-4.2!) USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 114 MET CE :methyl -161:sc= -0.155 (180deg=-0.635) USER MOD Single : A 115 GLN : amide:sc= 0.75 K(o=0.75,f=-0.31) USER MOD Single : A 125 GLN :FLIP amide:sc= -0.289 F(o=-0.92!,f=-0.29) USER MOD Single : A 129 THR OG1 : rot 110:sc= -0.395 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 LYS NZ :NH3+ -101:sc= 1.25 (180deg=-0.113) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 4.011 11.699 0.933 1.00 0.00 N ATOM 2 CA PRO A 1 4.327 10.535 1.728 1.00 0.00 C ATOM 3 C PRO A 1 5.841 10.382 1.904 1.00 0.00 C ATOM 4 O PRO A 1 6.367 10.602 2.988 1.00 0.00 O ATOM 5 CB PRO A 1 3.717 9.319 1.066 1.00 0.00 C ATOM 6 CG PRO A 1 2.770 9.889 0.049 1.00 0.00 C ATOM 7 CD PRO A 1 2.790 11.409 0.192 1.00 0.00 C ATOM 0 H2 PRO A 1 4.776 11.914 0.293 1.00 0.00 H new ATOM 0 H3 PRO A 1 3.882 12.516 1.530 1.00 0.00 H new ATOM 0 HA PRO A 1 3.907 10.647 2.728 1.00 0.00 H new ATOM 0 HB2 PRO A 1 4.479 8.697 0.596 1.00 0.00 H new ATOM 0 HB3 PRO A 1 3.195 8.692 1.789 1.00 0.00 H new ATOM 0 HG2 PRO A 1 3.069 9.596 -0.957 1.00 0.00 H new ATOM 0 HG3 PRO A 1 1.763 9.504 0.207 1.00 0.00 H new ATOM 0 HD2 PRO A 1 2.794 11.898 -0.782 1.00 0.00 H new ATOM 0 HD3 PRO A 1 1.909 11.767 0.725 1.00 0.00 H new ATOM 17 N VAL A 2 6.531 9.973 0.863 1.00 0.00 N ATOM 18 CA VAL A 2 7.988 9.910 0.888 1.00 0.00 C ATOM 19 C VAL A 2 8.537 10.588 -0.354 1.00 0.00 C ATOM 20 O VAL A 2 8.113 10.273 -1.461 1.00 0.00 O ATOM 21 CB VAL A 2 8.548 8.445 0.958 1.00 0.00 C ATOM 22 CG1 VAL A 2 10.077 8.453 0.963 1.00 0.00 C ATOM 23 CG2 VAL A 2 8.032 7.703 2.197 1.00 0.00 C ATOM 0 H VAL A 2 6.111 9.676 -0.018 1.00 0.00 H new ATOM 0 HA VAL A 2 8.310 10.419 1.796 1.00 0.00 H new ATOM 0 HB VAL A 2 8.193 7.919 0.071 1.00 0.00 H new ATOM 0 HG11 VAL A 2 10.446 7.429 1.012 1.00 0.00 H new ATOM 0 HG12 VAL A 2 10.441 8.927 0.052 1.00 0.00 H new ATOM 0 HG13 VAL A 2 10.435 9.009 1.829 1.00 0.00 H new ATOM 0 HG21 VAL A 2 8.440 6.692 2.212 1.00 0.00 H new ATOM 0 HG22 VAL A 2 8.345 8.234 3.096 1.00 0.00 H new ATOM 0 HG23 VAL A 2 6.944 7.654 2.165 1.00 0.00 H new ATOM 33 N THR A 3 9.426 11.524 -0.173 1.00 0.00 N ATOM 34 CA THR A 3 10.042 12.185 -1.296 1.00 0.00 C ATOM 35 C THR A 3 11.551 11.911 -1.257 1.00 0.00 C ATOM 36 O THR A 3 12.113 11.680 -0.157 1.00 0.00 O ATOM 37 CB THR A 3 9.723 13.711 -1.307 1.00 0.00 C ATOM 38 OG1 THR A 3 10.320 14.362 -2.444 1.00 0.00 O ATOM 39 CG2 THR A 3 10.170 14.382 -0.018 1.00 0.00 C ATOM 0 H THR A 3 9.742 11.849 0.741 1.00 0.00 H new ATOM 0 HA THR A 3 9.633 11.787 -2.225 1.00 0.00 H new ATOM 0 HB THR A 3 8.640 13.812 -1.384 1.00 0.00 H new ATOM 0 HG1 THR A 3 10.102 15.317 -2.426 1.00 0.00 H new ATOM 0 HG21 THR A 3 9.932 15.445 -0.060 1.00 0.00 H new ATOM 0 HG22 THR A 3 9.653 13.927 0.827 1.00 0.00 H new ATOM 0 HG23 THR A 3 11.246 14.255 0.104 1.00 0.00 H new ATOM 228 N HIS A 16 10.949 10.833 4.904 1.00 0.00 N ATOM 229 CA HIS A 16 9.615 10.401 5.048 1.00 0.00 C ATOM 230 C HIS A 16 8.900 11.649 5.437 1.00 0.00 C ATOM 231 O HIS A 16 9.353 12.357 6.333 1.00 0.00 O ATOM 232 CB HIS A 16 9.521 9.340 6.180 1.00 0.00 C ATOM 233 CG HIS A 16 8.132 8.852 6.505 1.00 0.00 C ATOM 234 ND1 HIS A 16 7.374 9.380 7.516 1.00 0.00 N ATOM 235 CD2 HIS A 16 7.382 7.862 5.962 1.00 0.00 C ATOM 236 CE1 HIS A 16 6.224 8.747 7.583 1.00 0.00 C ATOM 237 NE2 HIS A 16 6.202 7.822 6.653 1.00 0.00 N ATOM 0 HA HIS A 16 9.205 9.935 4.152 1.00 0.00 H new ATOM 0 HB2 HIS A 16 10.131 8.482 5.900 1.00 0.00 H new ATOM 0 HB3 HIS A 16 9.959 9.761 7.085 1.00 0.00 H new ATOM 0 HD1 HIS A 16 7.659 10.148 8.124 1.00 0.00 H new ATOM 0 HD2 HIS A 16 7.664 7.224 5.138 1.00 0.00 H new ATOM 0 HE1 HIS A 16 5.430 8.954 8.286 1.00 0.00 H new ATOM 246 N ASN A 17 7.825 11.929 4.844 1.00 0.00 N ATOM 247 CA ASN A 17 7.186 13.163 5.075 1.00 0.00 C ATOM 248 C ASN A 17 5.738 12.920 5.410 1.00 0.00 C ATOM 249 O ASN A 17 5.348 11.766 5.683 1.00 0.00 O ATOM 250 CB ASN A 17 7.345 13.984 3.791 1.00 0.00 C ATOM 251 CG ASN A 17 7.397 15.477 3.993 1.00 0.00 C ATOM 252 OD1 ASN A 17 6.773 16.033 4.899 1.00 0.00 O ATOM 253 ND2 ASN A 17 8.161 16.126 3.168 1.00 0.00 N ATOM 0 H ASN A 17 7.352 11.315 4.180 1.00 0.00 H new ATOM 0 HA ASN A 17 7.622 13.704 5.915 1.00 0.00 H new ATOM 0 HB2 ASN A 17 8.258 13.669 3.286 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.515 13.751 3.123 1.00 0.00 H new ATOM 0 HD21 ASN A 17 8.263 17.137 3.255 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.659 15.625 2.432 1.00 0.00 H new ATOM 260 N GLY A 18 4.960 13.960 5.430 1.00 0.00 N ATOM 261 CA GLY A 18 3.574 13.838 5.721 1.00 0.00 C ATOM 262 C GLY A 18 2.828 13.237 4.560 1.00 0.00 C ATOM 263 O GLY A 18 3.273 13.318 3.402 1.00 0.00 O ATOM 0 H GLY A 18 5.273 14.913 5.245 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.438 13.216 6.606 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.160 14.819 5.955 1.00 0.00 H new ATOM 267 N PHE A 19 1.750 12.626 4.849 1.00 0.00 N ATOM 268 CA PHE A 19 0.916 12.018 3.856 1.00 0.00 C ATOM 269 C PHE A 19 -0.154 13.008 3.503 1.00 0.00 C ATOM 270 O PHE A 19 -0.539 13.808 4.359 1.00 0.00 O ATOM 271 CB PHE A 19 0.333 10.739 4.426 1.00 0.00 C ATOM 272 CG PHE A 19 1.375 9.695 4.712 1.00 0.00 C ATOM 273 CD1 PHE A 19 1.742 8.797 3.743 1.00 0.00 C ATOM 274 CD2 PHE A 19 1.983 9.617 5.949 1.00 0.00 C ATOM 275 CE1 PHE A 19 2.695 7.831 3.991 1.00 0.00 C ATOM 276 CE2 PHE A 19 2.934 8.660 6.208 1.00 0.00 C ATOM 277 CZ PHE A 19 3.293 7.763 5.224 1.00 0.00 C ATOM 0 H PHE A 19 1.401 12.523 5.802 1.00 0.00 H new ATOM 0 HA PHE A 19 1.473 11.757 2.956 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.204 10.970 5.346 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -0.396 10.334 3.724 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.277 8.847 2.769 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.707 10.318 6.723 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.970 7.130 3.217 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.400 8.610 7.181 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.042 7.010 5.423 1.00 0.00 H new ATOM 287 N ASP A 20 -0.604 13.021 2.272 1.00 0.00 N ATOM 288 CA ASP A 20 -1.579 14.005 1.870 1.00 0.00 C ATOM 289 C ASP A 20 -2.932 13.568 2.354 1.00 0.00 C ATOM 290 O ASP A 20 -3.487 12.565 1.860 1.00 0.00 O ATOM 291 CB ASP A 20 -1.612 14.161 0.361 1.00 0.00 C ATOM 292 CG ASP A 20 -2.200 15.493 -0.031 1.00 0.00 C ATOM 293 OD1 ASP A 20 -3.429 15.674 0.070 1.00 0.00 O ATOM 294 OD2 ASP A 20 -1.424 16.413 -0.382 1.00 0.00 O ATOM 0 H ASP A 20 -0.316 12.371 1.540 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.307 14.967 2.305 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.602 14.073 -0.040 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.201 13.356 -0.079 1.00 0.00 H new ATOM 299 N PHE A 21 -3.465 14.286 3.314 1.00 0.00 N ATOM 300 CA PHE A 21 -4.694 13.887 3.922 1.00 0.00 C ATOM 301 C PHE A 21 -5.852 14.040 2.976 1.00 0.00 C ATOM 302 O PHE A 21 -6.702 13.203 2.950 1.00 0.00 O ATOM 303 CB PHE A 21 -4.956 14.612 5.233 1.00 0.00 C ATOM 304 CG PHE A 21 -6.030 13.941 6.034 1.00 0.00 C ATOM 305 CD1 PHE A 21 -5.759 12.739 6.675 1.00 0.00 C ATOM 306 CD2 PHE A 21 -7.304 14.489 6.143 1.00 0.00 C ATOM 307 CE1 PHE A 21 -6.734 12.097 7.409 1.00 0.00 C ATOM 308 CE2 PHE A 21 -8.282 13.852 6.875 1.00 0.00 C ATOM 309 CZ PHE A 21 -7.999 12.655 7.512 1.00 0.00 C ATOM 0 H PHE A 21 -3.061 15.146 3.684 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.593 12.828 4.160 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.037 14.650 5.817 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.246 15.642 5.027 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -4.774 12.303 6.598 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -7.529 15.423 5.649 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.513 11.162 7.902 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -9.268 14.285 6.952 1.00 0.00 H new ATOM 0 HZ PHE A 21 -8.764 12.156 8.089 1.00 0.00 H new ATOM 319 N ALA A 22 -5.864 15.101 2.185 1.00 0.00 N ATOM 320 CA ALA A 22 -6.920 15.332 1.192 1.00 0.00 C ATOM 321 C ALA A 22 -7.050 14.159 0.220 1.00 0.00 C ATOM 322 O ALA A 22 -8.154 13.820 -0.212 1.00 0.00 O ATOM 323 CB ALA A 22 -6.660 16.609 0.430 1.00 0.00 C ATOM 0 H ALA A 22 -5.149 15.828 2.207 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.861 15.424 1.734 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.453 16.764 -0.302 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.638 17.449 1.124 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.701 16.537 -0.084 1.00 0.00 H new ATOM 329 N VAL A 23 -5.936 13.535 -0.105 1.00 0.00 N ATOM 330 CA VAL A 23 -5.933 12.377 -0.993 1.00 0.00 C ATOM 331 C VAL A 23 -6.677 11.203 -0.334 1.00 0.00 C ATOM 332 O VAL A 23 -7.625 10.656 -0.907 1.00 0.00 O ATOM 333 CB VAL A 23 -4.482 11.991 -1.407 1.00 0.00 C ATOM 334 CG1 VAL A 23 -4.447 10.737 -2.246 1.00 0.00 C ATOM 335 CG2 VAL A 23 -3.850 13.126 -2.187 1.00 0.00 C ATOM 0 H VAL A 23 -5.013 13.808 0.232 1.00 0.00 H new ATOM 0 HA VAL A 23 -6.463 12.636 -1.910 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.923 11.802 -0.491 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.415 10.506 -2.512 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.870 9.908 -1.679 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.030 10.890 -3.154 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.835 12.850 -2.474 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -4.439 13.324 -3.083 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.821 14.022 -1.567 1.00 0.00 H new ATOM 345 N ILE A 24 -6.281 10.875 0.885 1.00 0.00 N ATOM 346 CA ILE A 24 -6.913 9.825 1.691 1.00 0.00 C ATOM 347 C ILE A 24 -8.393 10.181 1.949 1.00 0.00 C ATOM 348 O ILE A 24 -9.283 9.351 1.847 1.00 0.00 O ATOM 349 CB ILE A 24 -6.162 9.711 3.054 1.00 0.00 C ATOM 350 CG1 ILE A 24 -4.661 9.515 2.824 1.00 0.00 C ATOM 351 CG2 ILE A 24 -6.721 8.606 3.931 1.00 0.00 C ATOM 352 CD1 ILE A 24 -4.324 8.348 1.924 1.00 0.00 C ATOM 0 H ILE A 24 -5.501 11.333 1.356 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.863 8.876 1.157 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.318 10.648 3.588 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.248 10.426 2.390 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.172 9.371 3.787 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -6.164 8.568 4.867 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -7.772 8.805 4.141 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -6.629 7.650 3.415 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.242 8.276 1.811 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.705 7.427 2.365 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.782 8.498 0.946 1.00 0.00 H new ATOM 364 N LYS A 25 -8.608 11.436 2.185 1.00 0.00 N ATOM 365 CA LYS A 25 -9.908 12.010 2.483 1.00 0.00 C ATOM 366 C LYS A 25 -10.856 11.845 1.287 1.00 0.00 C ATOM 367 O LYS A 25 -12.044 11.562 1.450 1.00 0.00 O ATOM 368 CB LYS A 25 -9.723 13.492 2.819 1.00 0.00 C ATOM 369 CG LYS A 25 -10.970 14.204 3.286 1.00 0.00 C ATOM 370 CD LYS A 25 -10.760 15.701 3.405 1.00 0.00 C ATOM 371 CE LYS A 25 -10.735 16.356 2.038 1.00 0.00 C ATOM 372 NZ LYS A 25 -10.696 17.829 2.131 1.00 0.00 N ATOM 0 H LYS A 25 -7.859 12.129 2.178 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.351 11.492 3.334 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.961 13.580 3.594 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.340 14.004 1.936 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.783 14.007 2.587 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.276 13.803 4.252 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.557 16.137 4.007 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.823 15.900 3.925 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.865 16.005 1.484 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.617 16.052 1.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.680 18.237 1.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.539 18.167 2.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.842 18.122 2.647 1.00 0.00 H new ATOM 386 N GLU A 26 -10.320 12.007 0.097 1.00 0.00 N ATOM 387 CA GLU A 26 -11.083 11.835 -1.120 1.00 0.00 C ATOM 388 C GLU A 26 -11.443 10.367 -1.311 1.00 0.00 C ATOM 389 O GLU A 26 -12.559 10.038 -1.732 1.00 0.00 O ATOM 390 CB GLU A 26 -10.300 12.353 -2.320 1.00 0.00 C ATOM 391 CG GLU A 26 -11.068 12.286 -3.627 1.00 0.00 C ATOM 392 CD GLU A 26 -10.320 12.923 -4.754 1.00 0.00 C ATOM 393 OE1 GLU A 26 -10.444 14.141 -4.935 1.00 0.00 O ATOM 394 OE2 GLU A 26 -9.594 12.227 -5.489 1.00 0.00 O ATOM 0 H GLU A 26 -9.344 12.261 -0.054 1.00 0.00 H new ATOM 0 HA GLU A 26 -12.004 12.412 -1.038 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.008 13.387 -2.133 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -9.381 11.775 -2.419 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.274 11.244 -3.873 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -12.031 12.781 -3.506 1.00 0.00 H new ATOM 401 N LEU A 27 -10.529 9.486 -0.945 1.00 0.00 N ATOM 402 CA LEU A 27 -10.793 8.071 -1.076 1.00 0.00 C ATOM 403 C LEU A 27 -11.824 7.654 -0.043 1.00 0.00 C ATOM 404 O LEU A 27 -12.652 6.817 -0.307 1.00 0.00 O ATOM 405 CB LEU A 27 -9.515 7.215 -0.985 1.00 0.00 C ATOM 406 CG LEU A 27 -9.698 5.701 -1.218 1.00 0.00 C ATOM 407 CD1 LEU A 27 -10.428 5.436 -2.514 1.00 0.00 C ATOM 408 CD2 LEU A 27 -8.361 5.003 -1.241 1.00 0.00 C ATOM 0 H LEU A 27 -9.614 9.723 -0.562 1.00 0.00 H new ATOM 0 HA LEU A 27 -11.193 7.892 -2.074 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.797 7.591 -1.714 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.074 7.360 0.001 1.00 0.00 H new ATOM 0 HG LEU A 27 -10.294 5.309 -0.394 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.543 4.361 -2.653 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.411 5.905 -2.480 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.857 5.850 -3.345 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.510 3.936 -1.406 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.750 5.413 -2.045 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.855 5.155 -0.288 1.00 0.00 H new ATOM 420 N LYS A 28 -11.783 8.295 1.117 1.00 0.00 N ATOM 421 CA LYS A 28 -12.764 8.079 2.168 1.00 0.00 C ATOM 422 C LYS A 28 -14.150 8.492 1.666 1.00 0.00 C ATOM 423 O LYS A 28 -15.154 7.791 1.882 1.00 0.00 O ATOM 424 CB LYS A 28 -12.395 8.913 3.391 1.00 0.00 C ATOM 425 CG LYS A 28 -13.319 8.704 4.563 1.00 0.00 C ATOM 426 CD LYS A 28 -12.936 9.567 5.733 1.00 0.00 C ATOM 427 CE LYS A 28 -13.786 9.235 6.938 1.00 0.00 C ATOM 428 NZ LYS A 28 -13.618 7.826 7.372 1.00 0.00 N ATOM 0 H LYS A 28 -11.066 8.981 1.355 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.776 7.024 2.440 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -11.377 8.669 3.693 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -12.402 9.968 3.117 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.343 8.929 4.264 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -13.297 7.656 4.861 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.883 9.419 5.972 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -13.059 10.618 5.472 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.523 9.900 7.760 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -14.834 9.418 6.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.930 7.727 8.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -14.190 7.205 6.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.616 7.557 7.297 1.00 0.00 H new ATOM 442 N THR A 29 -14.180 9.624 0.998 1.00 0.00 N ATOM 443 CA THR A 29 -15.378 10.157 0.410 1.00 0.00 C ATOM 444 C THR A 29 -15.944 9.145 -0.619 1.00 0.00 C ATOM 445 O THR A 29 -17.140 8.781 -0.565 1.00 0.00 O ATOM 446 CB THR A 29 -15.083 11.543 -0.230 1.00 0.00 C ATOM 447 OG1 THR A 29 -14.499 12.408 0.779 1.00 0.00 O ATOM 448 CG2 THR A 29 -16.360 12.190 -0.747 1.00 0.00 C ATOM 0 H THR A 29 -13.356 10.206 0.848 1.00 0.00 H new ATOM 0 HA THR A 29 -16.137 10.309 1.178 1.00 0.00 H new ATOM 0 HB THR A 29 -14.399 11.402 -1.067 1.00 0.00 H new ATOM 0 HG1 THR A 29 -13.527 12.282 0.795 1.00 0.00 H new ATOM 0 HG21 THR A 29 -16.124 13.158 -1.189 1.00 0.00 H new ATOM 0 HG22 THR A 29 -16.814 11.547 -1.501 1.00 0.00 H new ATOM 0 HG23 THR A 29 -17.058 12.329 0.079 1.00 0.00 H new ATOM 456 N ALA A 30 -15.068 8.635 -1.491 1.00 0.00 N ATOM 457 CA ALA A 30 -15.419 7.631 -2.451 1.00 0.00 C ATOM 458 C ALA A 30 -15.884 6.358 -1.756 1.00 0.00 C ATOM 459 O ALA A 30 -16.847 5.807 -2.128 1.00 0.00 O ATOM 460 CB ALA A 30 -14.247 7.348 -3.383 1.00 0.00 C ATOM 0 H ALA A 30 -14.090 8.923 -1.535 1.00 0.00 H new ATOM 0 HA ALA A 30 -16.247 8.006 -3.052 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -14.533 6.583 -4.105 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -13.973 8.261 -3.911 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -13.395 6.997 -2.800 1.00 0.00 H new ATOM 466 N ALA A 31 -15.236 5.968 -0.700 1.00 0.00 N ATOM 467 CA ALA A 31 -15.574 4.763 0.014 1.00 0.00 C ATOM 468 C ALA A 31 -16.955 4.853 0.667 1.00 0.00 C ATOM 469 O ALA A 31 -17.629 3.839 0.862 1.00 0.00 O ATOM 470 CB ALA A 31 -14.523 4.514 1.041 1.00 0.00 C ATOM 0 H ALA A 31 -14.449 6.479 -0.302 1.00 0.00 H new ATOM 0 HA ALA A 31 -15.616 3.934 -0.692 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -14.762 3.605 1.593 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.556 4.398 0.551 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -14.482 5.357 1.731 1.00 0.00 H new ATOM 476 N SER A 32 -17.373 6.052 1.004 1.00 0.00 N ATOM 477 CA SER A 32 -18.658 6.269 1.602 1.00 0.00 C ATOM 478 C SER A 32 -19.766 6.361 0.510 1.00 0.00 C ATOM 479 O SER A 32 -20.733 5.608 0.518 1.00 0.00 O ATOM 480 CB SER A 32 -18.588 7.545 2.448 1.00 0.00 C ATOM 481 OG SER A 32 -17.480 7.485 3.368 1.00 0.00 O ATOM 0 H SER A 32 -16.826 6.902 0.868 1.00 0.00 H new ATOM 0 HA SER A 32 -18.920 5.428 2.244 1.00 0.00 H new ATOM 0 HB2 SER A 32 -18.481 8.413 1.798 1.00 0.00 H new ATOM 0 HB3 SER A 32 -19.519 7.673 3.000 1.00 0.00 H new ATOM 0 HG SER A 32 -16.640 7.604 2.877 1.00 0.00 H new ATOM 487 N GLN A 33 -19.587 7.262 -0.420 1.00 0.00 N ATOM 488 CA GLN A 33 -20.551 7.513 -1.494 1.00 0.00 C ATOM 489 C GLN A 33 -20.581 6.381 -2.543 1.00 0.00 C ATOM 490 O GLN A 33 -21.633 5.894 -2.937 1.00 0.00 O ATOM 491 CB GLN A 33 -20.122 8.796 -2.179 1.00 0.00 C ATOM 492 CG GLN A 33 -20.081 9.991 -1.296 1.00 0.00 C ATOM 493 CD GLN A 33 -21.442 10.509 -1.073 1.00 0.00 C ATOM 494 OE1 GLN A 33 -22.125 10.130 -0.119 1.00 0.00 O ATOM 495 NE2 GLN A 33 -21.866 11.334 -1.971 1.00 0.00 N ATOM 0 H GLN A 33 -18.760 7.858 -0.466 1.00 0.00 H new ATOM 0 HA GLN A 33 -21.550 7.577 -1.062 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -19.133 8.647 -2.611 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -20.804 8.996 -3.005 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -19.623 9.731 -0.342 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -19.460 10.764 -1.748 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -21.254 11.611 -2.738 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -22.813 11.708 -1.913 1.00 0.00 H new ATOM 504 N TYR A 34 -19.429 5.983 -2.939 1.00 0.00 N ATOM 505 CA TYR A 34 -19.193 5.075 -4.053 1.00 0.00 C ATOM 506 C TYR A 34 -18.895 3.658 -3.577 1.00 0.00 C ATOM 507 O TYR A 34 -19.291 2.691 -4.207 1.00 0.00 O ATOM 508 CB TYR A 34 -18.017 5.661 -4.877 1.00 0.00 C ATOM 509 CG TYR A 34 -18.385 6.904 -5.647 1.00 0.00 C ATOM 510 CD1 TYR A 34 -18.351 8.143 -5.037 1.00 0.00 C ATOM 511 CD2 TYR A 34 -18.790 6.836 -6.967 1.00 0.00 C ATOM 512 CE1 TYR A 34 -18.700 9.281 -5.709 1.00 0.00 C ATOM 513 CE2 TYR A 34 -19.141 7.980 -7.657 1.00 0.00 C ATOM 514 CZ TYR A 34 -19.093 9.201 -7.018 1.00 0.00 C ATOM 515 OH TYR A 34 -19.423 10.355 -7.701 1.00 0.00 O ATOM 0 H TYR A 34 -18.566 6.284 -2.487 1.00 0.00 H new ATOM 0 HA TYR A 34 -20.088 4.994 -4.670 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -17.191 5.891 -4.204 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -17.659 4.904 -5.574 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -18.041 8.214 -4.005 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -18.832 5.878 -7.464 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -18.666 10.238 -5.210 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -19.451 7.919 -8.690 1.00 0.00 H new ATOM 0 HH TYR A 34 -19.680 10.129 -8.619 1.00 0.00 H new ATOM 525 N GLY A 35 -18.238 3.555 -2.445 1.00 0.00 N ATOM 526 CA GLY A 35 -17.840 2.285 -1.912 1.00 0.00 C ATOM 527 C GLY A 35 -16.652 1.766 -2.649 1.00 0.00 C ATOM 528 O GLY A 35 -15.856 2.546 -3.116 1.00 0.00 O ATOM 0 H GLY A 35 -17.967 4.354 -1.872 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -17.605 2.385 -0.852 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -18.664 1.576 -1.990 1.00 0.00 H new ATOM 532 N ALA A 36 -16.494 0.483 -2.654 1.00 0.00 N ATOM 533 CA ALA A 36 -15.528 -0.207 -3.466 1.00 0.00 C ATOM 534 C ALA A 36 -16.204 -0.726 -4.700 1.00 0.00 C ATOM 535 O ALA A 36 -17.427 -0.744 -4.768 1.00 0.00 O ATOM 536 CB ALA A 36 -14.873 -1.307 -2.716 1.00 0.00 C ATOM 0 H ALA A 36 -17.052 -0.143 -2.073 1.00 0.00 H new ATOM 0 HA ALA A 36 -14.743 0.494 -3.751 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -14.149 -1.806 -3.360 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -14.362 -0.899 -1.844 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -15.626 -2.025 -2.392 1.00 0.00 H new ATOM 542 N THR A 37 -15.410 -1.011 -5.704 1.00 0.00 N ATOM 543 CA THR A 37 -15.875 -1.570 -6.963 1.00 0.00 C ATOM 544 C THR A 37 -16.269 -0.512 -8.009 1.00 0.00 C ATOM 545 O THR A 37 -15.997 -0.701 -9.191 1.00 0.00 O ATOM 546 CB THR A 37 -16.933 -2.697 -6.752 1.00 0.00 C ATOM 547 OG1 THR A 37 -16.304 -3.791 -6.058 1.00 0.00 O ATOM 548 CG2 THR A 37 -17.541 -3.189 -8.052 1.00 0.00 C ATOM 0 H THR A 37 -14.402 -0.860 -5.674 1.00 0.00 H new ATOM 0 HA THR A 37 -15.013 -2.061 -7.414 1.00 0.00 H new ATOM 0 HB THR A 37 -17.753 -2.282 -6.166 1.00 0.00 H new ATOM 0 HG1 THR A 37 -16.572 -3.778 -5.115 1.00 0.00 H new ATOM 0 HG21 THR A 37 -18.269 -3.972 -7.840 1.00 0.00 H new ATOM 0 HG22 THR A 37 -18.036 -2.361 -8.559 1.00 0.00 H new ATOM 0 HG23 THR A 37 -16.755 -3.588 -8.693 1.00 0.00 H new ATOM 556 N ALA A 38 -16.859 0.604 -7.584 1.00 0.00 N ATOM 557 CA ALA A 38 -17.116 1.700 -8.512 1.00 0.00 C ATOM 558 C ALA A 38 -15.774 2.227 -9.022 1.00 0.00 C ATOM 559 O ALA A 38 -14.983 2.696 -8.219 1.00 0.00 O ATOM 560 CB ALA A 38 -17.896 2.810 -7.819 1.00 0.00 C ATOM 0 H ALA A 38 -17.162 0.771 -6.624 1.00 0.00 H new ATOM 0 HA ALA A 38 -17.715 1.344 -9.350 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -18.080 3.620 -8.524 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -18.848 2.417 -7.461 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -17.319 3.188 -6.975 1.00 0.00 H new ATOM 566 N PRO A 39 -15.495 2.116 -10.363 1.00 0.00 N ATOM 567 CA PRO A 39 -14.201 2.478 -11.003 1.00 0.00 C ATOM 568 C PRO A 39 -13.458 3.659 -10.365 1.00 0.00 C ATOM 569 O PRO A 39 -12.250 3.601 -10.180 1.00 0.00 O ATOM 570 CB PRO A 39 -14.615 2.798 -12.432 1.00 0.00 C ATOM 571 CG PRO A 39 -15.728 1.844 -12.709 1.00 0.00 C ATOM 572 CD PRO A 39 -16.436 1.589 -11.385 1.00 0.00 C ATOM 0 HA PRO A 39 -13.479 1.668 -10.901 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -14.943 3.833 -12.530 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -13.788 2.659 -13.128 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -16.419 2.260 -13.442 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -15.343 0.913 -13.126 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -17.398 2.100 -11.342 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -16.632 0.527 -11.236 1.00 0.00 H new ATOM 580 N TYR A 40 -14.196 4.696 -10.003 1.00 0.00 N ATOM 581 CA TYR A 40 -13.646 5.895 -9.382 1.00 0.00 C ATOM 582 C TYR A 40 -12.772 5.588 -8.145 1.00 0.00 C ATOM 583 O TYR A 40 -11.595 5.957 -8.103 1.00 0.00 O ATOM 584 CB TYR A 40 -14.792 6.849 -9.010 1.00 0.00 C ATOM 585 CG TYR A 40 -14.352 8.135 -8.330 1.00 0.00 C ATOM 586 CD1 TYR A 40 -13.665 9.111 -9.028 1.00 0.00 C ATOM 587 CD2 TYR A 40 -14.609 8.350 -6.987 1.00 0.00 C ATOM 588 CE1 TYR A 40 -13.246 10.274 -8.416 1.00 0.00 C ATOM 589 CE2 TYR A 40 -14.193 9.509 -6.358 1.00 0.00 C ATOM 590 CZ TYR A 40 -13.512 10.470 -7.078 1.00 0.00 C ATOM 591 OH TYR A 40 -13.079 11.627 -6.453 1.00 0.00 O ATOM 0 H TYR A 40 -15.207 4.731 -10.133 1.00 0.00 H new ATOM 0 HA TYR A 40 -12.987 6.368 -10.111 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -15.344 7.103 -9.915 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -15.484 6.324 -8.352 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -13.452 8.959 -10.076 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -15.143 7.601 -6.421 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -12.714 11.025 -8.981 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -14.400 9.662 -5.309 1.00 0.00 H new ATOM 0 HH TYR A 40 -13.348 11.610 -5.511 1.00 0.00 H new ATOM 601 N THR A 41 -13.332 4.879 -7.168 1.00 0.00 N ATOM 602 CA THR A 41 -12.688 4.634 -5.894 1.00 0.00 C ATOM 603 C THR A 41 -11.389 3.810 -6.043 1.00 0.00 C ATOM 604 O THR A 41 -10.346 4.182 -5.512 1.00 0.00 O ATOM 605 CB THR A 41 -13.695 3.955 -4.909 1.00 0.00 C ATOM 606 OG1 THR A 41 -13.151 3.825 -3.604 1.00 0.00 O ATOM 607 CG2 THR A 41 -14.108 2.584 -5.400 1.00 0.00 C ATOM 0 H THR A 41 -14.257 4.456 -7.246 1.00 0.00 H new ATOM 0 HA THR A 41 -12.389 5.596 -5.477 1.00 0.00 H new ATOM 0 HB THR A 41 -14.568 4.607 -4.868 1.00 0.00 H new ATOM 0 HG1 THR A 41 -13.523 3.028 -3.173 1.00 0.00 H new ATOM 0 HG21 THR A 41 -14.808 2.140 -4.692 1.00 0.00 H new ATOM 0 HG22 THR A 41 -14.587 2.676 -6.375 1.00 0.00 H new ATOM 0 HG23 THR A 41 -13.227 1.948 -5.487 1.00 0.00 H new ATOM 615 N LEU A 42 -11.421 2.751 -6.832 1.00 0.00 N ATOM 616 CA LEU A 42 -10.247 1.940 -6.962 1.00 0.00 C ATOM 617 C LEU A 42 -9.208 2.563 -7.833 1.00 0.00 C ATOM 618 O LEU A 42 -8.043 2.260 -7.697 1.00 0.00 O ATOM 619 CB LEU A 42 -10.460 0.418 -7.193 1.00 0.00 C ATOM 620 CG LEU A 42 -11.495 -0.074 -8.224 1.00 0.00 C ATOM 621 CD1 LEU A 42 -12.898 0.101 -7.713 1.00 0.00 C ATOM 622 CD2 LEU A 42 -11.311 0.570 -9.591 1.00 0.00 C ATOM 0 H LEU A 42 -12.229 2.446 -7.375 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.838 1.933 -5.952 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.496 -0.003 -7.477 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.729 -0.020 -6.232 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.320 -1.141 -8.362 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -13.605 -0.255 -8.462 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -13.024 -0.471 -6.794 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -13.083 1.156 -7.512 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -12.066 0.188 -10.278 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.416 1.651 -9.501 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.319 0.333 -9.974 1.00 0.00 H new ATOM 634 N ALA A 43 -9.637 3.480 -8.699 1.00 0.00 N ATOM 635 CA ALA A 43 -8.723 4.269 -9.499 1.00 0.00 C ATOM 636 C ALA A 43 -7.827 5.035 -8.561 1.00 0.00 C ATOM 637 O ALA A 43 -6.607 5.124 -8.747 1.00 0.00 O ATOM 638 CB ALA A 43 -9.498 5.229 -10.384 1.00 0.00 C ATOM 0 H ALA A 43 -10.622 3.690 -8.860 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.129 3.621 -10.143 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.801 5.817 -10.981 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.155 4.664 -11.045 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -10.095 5.896 -9.762 1.00 0.00 H new ATOM 644 N ILE A 44 -8.445 5.538 -7.523 1.00 0.00 N ATOM 645 CA ILE A 44 -7.761 6.253 -6.480 1.00 0.00 C ATOM 646 C ILE A 44 -6.894 5.280 -5.654 1.00 0.00 C ATOM 647 O ILE A 44 -5.744 5.580 -5.400 1.00 0.00 O ATOM 648 CB ILE A 44 -8.779 6.979 -5.585 1.00 0.00 C ATOM 649 CG1 ILE A 44 -9.632 7.907 -6.440 1.00 0.00 C ATOM 650 CG2 ILE A 44 -8.080 7.775 -4.472 1.00 0.00 C ATOM 651 CD1 ILE A 44 -10.852 8.425 -5.732 1.00 0.00 C ATOM 0 H ILE A 44 -9.452 5.460 -7.378 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.105 7.000 -6.927 1.00 0.00 H new ATOM 0 HB ILE A 44 -9.414 6.232 -5.107 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.023 8.752 -6.763 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -9.942 7.376 -7.340 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.828 8.276 -3.858 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -7.496 7.096 -3.851 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -7.419 8.519 -4.917 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -11.411 9.079 -6.401 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -11.482 7.587 -5.433 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -10.549 8.985 -4.847 1.00 0.00 H new ATOM 663 N VAL A 45 -7.449 4.092 -5.308 1.00 0.00 N ATOM 664 CA VAL A 45 -6.723 3.049 -4.523 1.00 0.00 C ATOM 665 C VAL A 45 -5.363 2.750 -5.185 1.00 0.00 C ATOM 666 O VAL A 45 -4.303 2.743 -4.516 1.00 0.00 O ATOM 667 CB VAL A 45 -7.576 1.706 -4.371 1.00 0.00 C ATOM 668 CG1 VAL A 45 -6.808 0.605 -3.644 1.00 0.00 C ATOM 669 CG2 VAL A 45 -8.880 1.947 -3.623 1.00 0.00 C ATOM 0 H VAL A 45 -8.401 3.827 -5.559 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.562 3.441 -3.519 1.00 0.00 H new ATOM 0 HB VAL A 45 -7.787 1.382 -5.390 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.433 -0.285 -3.568 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.902 0.365 -4.200 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.540 0.947 -2.644 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.431 1.010 -3.541 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.662 2.329 -2.626 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.482 2.675 -4.167 1.00 0.00 H new ATOM 679 N GLU A 46 -5.394 2.577 -6.507 1.00 0.00 N ATOM 680 CA GLU A 46 -4.193 2.341 -7.291 1.00 0.00 C ATOM 681 C GLU A 46 -3.274 3.547 -7.197 1.00 0.00 C ATOM 682 O GLU A 46 -2.130 3.430 -6.786 1.00 0.00 O ATOM 683 CB GLU A 46 -4.539 2.129 -8.762 1.00 0.00 C ATOM 684 CG GLU A 46 -5.639 1.131 -9.017 1.00 0.00 C ATOM 685 CD GLU A 46 -5.798 0.816 -10.475 1.00 0.00 C ATOM 686 OE1 GLU A 46 -5.895 1.761 -11.299 1.00 0.00 O ATOM 687 OE2 GLU A 46 -5.780 -0.383 -10.843 1.00 0.00 O ATOM 0 H GLU A 46 -6.252 2.597 -7.058 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.705 1.450 -6.896 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.830 3.087 -9.194 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -3.642 1.802 -9.288 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.426 0.212 -8.471 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.579 1.523 -8.628 1.00 0.00 H new ATOM 694 N SER A 47 -3.812 4.716 -7.574 1.00 0.00 N ATOM 695 CA SER A 47 -3.072 5.979 -7.623 1.00 0.00 C ATOM 696 C SER A 47 -2.355 6.325 -6.300 1.00 0.00 C ATOM 697 O SER A 47 -1.209 6.776 -6.322 1.00 0.00 O ATOM 698 CB SER A 47 -4.019 7.114 -8.035 1.00 0.00 C ATOM 699 OG SER A 47 -4.639 6.829 -9.289 1.00 0.00 O ATOM 0 H SER A 47 -4.788 4.809 -7.857 1.00 0.00 H new ATOM 0 HA SER A 47 -2.285 5.858 -8.367 1.00 0.00 H new ATOM 0 HB2 SER A 47 -4.783 7.252 -7.270 1.00 0.00 H new ATOM 0 HB3 SER A 47 -3.464 8.050 -8.103 1.00 0.00 H new ATOM 0 HG SER A 47 -5.500 6.387 -9.135 1.00 0.00 H new ATOM 705 N VAL A 48 -3.013 6.091 -5.162 1.00 0.00 N ATOM 706 CA VAL A 48 -2.422 6.404 -3.864 1.00 0.00 C ATOM 707 C VAL A 48 -1.255 5.461 -3.598 1.00 0.00 C ATOM 708 O VAL A 48 -0.166 5.901 -3.233 1.00 0.00 O ATOM 709 CB VAL A 48 -3.439 6.299 -2.685 1.00 0.00 C ATOM 710 CG1 VAL A 48 -2.819 6.799 -1.391 1.00 0.00 C ATOM 711 CG2 VAL A 48 -4.720 7.064 -2.966 1.00 0.00 C ATOM 0 H VAL A 48 -3.949 5.688 -5.115 1.00 0.00 H new ATOM 0 HA VAL A 48 -2.088 7.440 -3.911 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.692 5.244 -2.581 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.546 6.716 -0.583 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.941 6.198 -1.152 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.524 7.842 -1.508 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.398 6.963 -2.118 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.488 8.118 -3.121 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.195 6.662 -3.861 1.00 0.00 H new ATOM 721 N ALA A 49 -1.461 4.177 -3.878 1.00 0.00 N ATOM 722 CA ALA A 49 -0.429 3.159 -3.648 1.00 0.00 C ATOM 723 C ALA A 49 0.619 3.182 -4.751 1.00 0.00 C ATOM 724 O ALA A 49 1.534 2.399 -4.749 1.00 0.00 O ATOM 725 CB ALA A 49 -1.051 1.765 -3.530 1.00 0.00 C ATOM 0 H ALA A 49 -2.332 3.812 -4.265 1.00 0.00 H new ATOM 0 HA ALA A 49 0.064 3.396 -2.705 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.265 1.029 -3.360 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.751 1.748 -2.694 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -1.581 1.524 -4.452 1.00 0.00 H new ATOM 731 N ASP A 50 0.478 4.093 -5.677 1.00 0.00 N ATOM 732 CA ASP A 50 1.432 4.250 -6.780 1.00 0.00 C ATOM 733 C ASP A 50 2.537 5.198 -6.333 1.00 0.00 C ATOM 734 O ASP A 50 3.533 5.417 -7.001 1.00 0.00 O ATOM 735 CB ASP A 50 0.699 4.745 -8.051 1.00 0.00 C ATOM 736 CG ASP A 50 1.597 5.107 -9.215 1.00 0.00 C ATOM 737 OD1 ASP A 50 2.288 4.226 -9.767 1.00 0.00 O ATOM 738 OD2 ASP A 50 1.598 6.295 -9.616 1.00 0.00 O ATOM 0 H ASP A 50 -0.297 4.755 -5.702 1.00 0.00 H new ATOM 0 HA ASP A 50 1.888 3.294 -7.037 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.005 3.970 -8.376 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.101 5.618 -7.789 1.00 0.00 H new ATOM 743 N ASN A 51 2.348 5.718 -5.160 1.00 0.00 N ATOM 744 CA ASN A 51 3.305 6.590 -4.518 1.00 0.00 C ATOM 745 C ASN A 51 4.057 5.781 -3.514 1.00 0.00 C ATOM 746 O ASN A 51 3.585 4.718 -3.109 1.00 0.00 O ATOM 747 CB ASN A 51 2.610 7.736 -3.771 1.00 0.00 C ATOM 748 CG ASN A 51 1.825 8.671 -4.657 1.00 0.00 C ATOM 749 OD1 ASN A 51 2.360 9.627 -5.213 1.00 0.00 O ATOM 750 ND2 ASN A 51 0.545 8.446 -4.756 1.00 0.00 N ATOM 0 H ASN A 51 1.510 5.550 -4.604 1.00 0.00 H new ATOM 0 HA ASN A 51 3.957 7.015 -5.281 1.00 0.00 H new ATOM 0 HB2 ASN A 51 1.938 7.312 -3.025 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.363 8.312 -3.232 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -0.042 9.072 -5.307 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.130 7.643 -4.282 1.00 0.00 H new ATOM 757 N TRP A 52 5.225 6.248 -3.122 1.00 0.00 N ATOM 758 CA TRP A 52 5.970 5.593 -2.065 1.00 0.00 C ATOM 759 C TRP A 52 5.174 5.706 -0.774 1.00 0.00 C ATOM 760 O TRP A 52 5.053 6.792 -0.188 1.00 0.00 O ATOM 761 CB TRP A 52 7.356 6.199 -1.905 1.00 0.00 C ATOM 762 CG TRP A 52 8.225 6.034 -3.109 1.00 0.00 C ATOM 763 CD1 TRP A 52 8.711 4.863 -3.616 1.00 0.00 C ATOM 764 CD2 TRP A 52 8.735 7.071 -3.946 1.00 0.00 C ATOM 765 NE1 TRP A 52 9.490 5.110 -4.703 1.00 0.00 N ATOM 766 CE2 TRP A 52 9.529 6.455 -4.931 1.00 0.00 C ATOM 767 CE3 TRP A 52 8.606 8.461 -3.958 1.00 0.00 C ATOM 768 CZ2 TRP A 52 10.184 7.174 -5.916 1.00 0.00 C ATOM 769 CZ3 TRP A 52 9.261 9.174 -4.937 1.00 0.00 C ATOM 770 CH2 TRP A 52 10.045 8.530 -5.903 1.00 0.00 C ATOM 0 H TRP A 52 5.677 7.073 -3.516 1.00 0.00 H new ATOM 0 HA TRP A 52 6.113 4.543 -2.320 1.00 0.00 H new ATOM 0 HB2 TRP A 52 7.255 7.261 -1.683 1.00 0.00 H new ATOM 0 HB3 TRP A 52 7.847 5.740 -1.047 1.00 0.00 H new ATOM 0 HD1 TRP A 52 8.506 3.882 -3.212 1.00 0.00 H new ATOM 0 HE1 TRP A 52 9.969 4.402 -5.260 1.00 0.00 H new ATOM 0 HE3 TRP A 52 8.006 8.966 -3.216 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 10.783 6.679 -6.667 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 9.169 10.250 -4.961 1.00 0.00 H new ATOM 0 HH2 TRP A 52 10.550 9.120 -6.653 1.00 0.00 H new ATOM 781 N LEU A 53 4.642 4.599 -0.354 1.00 0.00 N ATOM 782 CA LEU A 53 3.702 4.544 0.730 1.00 0.00 C ATOM 783 C LEU A 53 4.098 3.378 1.642 1.00 0.00 C ATOM 784 O LEU A 53 4.282 2.255 1.170 1.00 0.00 O ATOM 785 CB LEU A 53 2.331 4.286 0.070 1.00 0.00 C ATOM 786 CG LEU A 53 1.057 4.752 0.769 1.00 0.00 C ATOM 787 CD1 LEU A 53 0.998 6.258 0.868 1.00 0.00 C ATOM 788 CD2 LEU A 53 -0.136 4.279 -0.012 1.00 0.00 C ATOM 0 H LEU A 53 4.852 3.688 -0.762 1.00 0.00 H new ATOM 0 HA LEU A 53 3.677 5.453 1.330 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.351 4.751 -0.915 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.242 3.211 -0.087 1.00 0.00 H new ATOM 0 HG LEU A 53 1.055 4.336 1.776 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.077 6.554 1.371 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.855 6.619 1.437 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.019 6.690 -0.133 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.049 4.609 0.483 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.099 4.694 -1.019 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.126 3.190 -0.067 1.00 0.00 H new ATOM 800 N THR A 54 4.227 3.651 2.922 1.00 0.00 N ATOM 801 CA THR A 54 4.690 2.673 3.886 1.00 0.00 C ATOM 802 C THR A 54 3.562 1.699 4.322 1.00 0.00 C ATOM 803 O THR A 54 2.403 2.101 4.434 1.00 0.00 O ATOM 804 CB THR A 54 5.279 3.412 5.112 1.00 0.00 C ATOM 805 OG1 THR A 54 4.396 4.487 5.477 1.00 0.00 O ATOM 806 CG2 THR A 54 6.658 3.986 4.800 1.00 0.00 C ATOM 0 H THR A 54 4.013 4.562 3.327 1.00 0.00 H new ATOM 0 HA THR A 54 5.461 2.065 3.414 1.00 0.00 H new ATOM 0 HB THR A 54 5.379 2.700 5.931 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.760 4.960 6.254 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.046 4.499 5.680 1.00 0.00 H new ATOM 0 HG22 THR A 54 7.335 3.177 4.524 1.00 0.00 H new ATOM 0 HG23 THR A 54 6.580 4.692 3.973 1.00 0.00 H new ATOM 814 N PRO A 55 3.893 0.395 4.588 1.00 0.00 N ATOM 815 CA PRO A 55 2.896 -0.644 4.985 1.00 0.00 C ATOM 816 C PRO A 55 2.077 -0.279 6.243 1.00 0.00 C ATOM 817 O PRO A 55 0.885 -0.594 6.335 1.00 0.00 O ATOM 818 CB PRO A 55 3.753 -1.887 5.241 1.00 0.00 C ATOM 819 CG PRO A 55 4.985 -1.670 4.434 1.00 0.00 C ATOM 820 CD PRO A 55 5.245 -0.187 4.461 1.00 0.00 C ATOM 0 HA PRO A 55 2.141 -0.774 4.210 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.987 -1.995 6.300 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.234 -2.795 4.935 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.827 -2.221 4.852 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.849 -2.023 3.412 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.884 0.094 5.298 1.00 0.00 H new ATOM 0 HD3 PRO A 55 5.744 0.150 3.552 1.00 0.00 H new ATOM 828 N THR A 56 2.703 0.373 7.198 1.00 0.00 N ATOM 829 CA THR A 56 2.010 0.811 8.396 1.00 0.00 C ATOM 830 C THR A 56 0.957 1.886 8.041 1.00 0.00 C ATOM 831 O THR A 56 -0.185 1.875 8.555 1.00 0.00 O ATOM 832 CB THR A 56 3.017 1.317 9.489 1.00 0.00 C ATOM 833 OG1 THR A 56 2.340 1.861 10.627 1.00 0.00 O ATOM 834 CG2 THR A 56 4.006 2.331 8.933 1.00 0.00 C ATOM 0 H THR A 56 3.694 0.614 7.171 1.00 0.00 H new ATOM 0 HA THR A 56 1.487 -0.044 8.824 1.00 0.00 H new ATOM 0 HB THR A 56 3.579 0.441 9.812 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.999 2.164 11.286 1.00 0.00 H new ATOM 0 HG21 THR A 56 4.682 2.652 9.725 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.582 1.874 8.128 1.00 0.00 H new ATOM 0 HG23 THR A 56 3.464 3.194 8.547 1.00 0.00 H new ATOM 842 N ASP A 57 1.294 2.737 7.074 1.00 0.00 N ATOM 843 CA ASP A 57 0.390 3.790 6.682 1.00 0.00 C ATOM 844 C ASP A 57 -0.659 3.244 5.763 1.00 0.00 C ATOM 845 O ASP A 57 -1.737 3.789 5.664 1.00 0.00 O ATOM 846 CB ASP A 57 1.104 4.999 6.086 1.00 0.00 C ATOM 847 CG ASP A 57 0.208 6.218 6.105 1.00 0.00 C ATOM 848 OD1 ASP A 57 0.100 6.868 7.178 1.00 0.00 O ATOM 849 OD2 ASP A 57 -0.403 6.547 5.083 1.00 0.00 O ATOM 0 H ASP A 57 2.175 2.711 6.561 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.096 4.162 7.584 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.014 5.203 6.649 1.00 0.00 H new ATOM 0 HB3 ASP A 57 1.405 4.780 5.062 1.00 0.00 H new ATOM 854 N TRP A 58 -0.330 2.147 5.096 1.00 0.00 N ATOM 855 CA TRP A 58 -1.305 1.383 4.361 1.00 0.00 C ATOM 856 C TRP A 58 -2.444 1.000 5.300 1.00 0.00 C ATOM 857 O TRP A 58 -3.604 1.271 5.021 1.00 0.00 O ATOM 858 CB TRP A 58 -0.694 0.102 3.770 1.00 0.00 C ATOM 859 CG TRP A 58 0.057 0.255 2.481 1.00 0.00 C ATOM 860 CD1 TRP A 58 0.218 1.375 1.730 1.00 0.00 C ATOM 861 CD2 TRP A 58 0.710 -0.795 1.772 1.00 0.00 C ATOM 862 NE1 TRP A 58 0.939 1.076 0.595 1.00 0.00 N ATOM 863 CE2 TRP A 58 1.248 -0.238 0.602 1.00 0.00 C ATOM 864 CE3 TRP A 58 0.895 -2.154 2.015 1.00 0.00 C ATOM 865 CZ2 TRP A 58 1.948 -0.985 -0.318 1.00 0.00 C ATOM 866 CZ3 TRP A 58 1.589 -2.898 1.097 1.00 0.00 C ATOM 867 CH2 TRP A 58 2.106 -2.311 -0.054 1.00 0.00 C ATOM 0 H TRP A 58 0.617 1.770 5.054 1.00 0.00 H new ATOM 0 HA TRP A 58 -1.669 1.998 3.538 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -0.019 -0.327 4.510 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -1.496 -0.619 3.614 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -0.162 2.353 1.984 1.00 0.00 H new ATOM 0 HE1 TRP A 58 1.198 1.741 -0.134 1.00 0.00 H new ATOM 0 HE3 TRP A 58 0.499 -2.612 2.909 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 2.355 -0.537 -1.213 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.737 -3.954 1.269 1.00 0.00 H new ATOM 0 HH2 TRP A 58 2.648 -2.925 -0.758 1.00 0.00 H new ATOM 878 N ASN A 59 -2.109 0.403 6.435 1.00 0.00 N ATOM 879 CA ASN A 59 -3.132 0.004 7.412 1.00 0.00 C ATOM 880 C ASN A 59 -3.978 1.187 7.859 1.00 0.00 C ATOM 881 O ASN A 59 -5.196 1.095 7.927 1.00 0.00 O ATOM 882 CB ASN A 59 -2.528 -0.721 8.620 1.00 0.00 C ATOM 883 CG ASN A 59 -2.011 -2.101 8.268 1.00 0.00 C ATOM 884 OD1 ASN A 59 -2.552 -2.774 7.357 1.00 0.00 O ATOM 885 ND2 ASN A 59 -0.986 -2.543 8.961 1.00 0.00 N ATOM 0 H ASN A 59 -1.151 0.183 6.707 1.00 0.00 H new ATOM 0 HA ASN A 59 -3.787 -0.702 6.901 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.712 -0.124 9.028 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.282 -0.807 9.402 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.599 -3.467 8.767 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.577 -1.962 9.693 1.00 0.00 H new ATOM 892 N THR A 60 -3.333 2.308 8.023 1.00 0.00 N ATOM 893 CA THR A 60 -4.050 3.502 8.453 1.00 0.00 C ATOM 894 C THR A 60 -4.896 4.075 7.277 1.00 0.00 C ATOM 895 O THR A 60 -5.929 4.666 7.495 1.00 0.00 O ATOM 896 CB THR A 60 -3.057 4.564 8.978 1.00 0.00 C ATOM 897 OG1 THR A 60 -2.173 3.942 9.930 1.00 0.00 O ATOM 898 CG2 THR A 60 -3.792 5.708 9.663 1.00 0.00 C ATOM 0 H THR A 60 -2.332 2.432 7.872 1.00 0.00 H new ATOM 0 HA THR A 60 -4.726 3.233 9.265 1.00 0.00 H new ATOM 0 HB THR A 60 -2.497 4.966 8.134 1.00 0.00 H new ATOM 0 HG1 THR A 60 -1.539 3.362 9.458 1.00 0.00 H new ATOM 0 HG21 THR A 60 -3.070 6.441 10.023 1.00 0.00 H new ATOM 0 HG22 THR A 60 -4.468 6.183 8.952 1.00 0.00 H new ATOM 0 HG23 THR A 60 -4.365 5.320 10.505 1.00 0.00 H new ATOM 906 N LEU A 61 -4.449 3.833 6.053 1.00 0.00 N ATOM 907 CA LEU A 61 -5.118 4.281 4.835 1.00 0.00 C ATOM 908 C LEU A 61 -6.463 3.626 4.752 1.00 0.00 C ATOM 909 O LEU A 61 -7.472 4.310 4.766 1.00 0.00 O ATOM 910 CB LEU A 61 -4.232 3.922 3.613 1.00 0.00 C ATOM 911 CG LEU A 61 -4.556 4.510 2.222 1.00 0.00 C ATOM 912 CD1 LEU A 61 -3.424 4.240 1.278 1.00 0.00 C ATOM 913 CD2 LEU A 61 -5.826 3.976 1.611 1.00 0.00 C ATOM 0 H LEU A 61 -3.593 3.309 5.873 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.264 5.361 4.845 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.210 4.213 3.857 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.240 2.836 3.515 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.699 5.579 2.379 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.659 4.657 0.299 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.514 4.702 1.660 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.275 3.164 1.187 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.983 4.438 0.636 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.746 2.895 1.492 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.669 4.208 2.262 1.00 0.00 H new ATOM 925 N VAL A 62 -6.481 2.285 4.737 1.00 0.00 N ATOM 926 CA VAL A 62 -7.747 1.544 4.662 1.00 0.00 C ATOM 927 C VAL A 62 -8.669 1.960 5.818 1.00 0.00 C ATOM 928 O VAL A 62 -9.879 2.153 5.645 1.00 0.00 O ATOM 929 CB VAL A 62 -7.547 -0.015 4.616 1.00 0.00 C ATOM 930 CG1 VAL A 62 -6.851 -0.564 5.847 1.00 0.00 C ATOM 931 CG2 VAL A 62 -8.865 -0.718 4.405 1.00 0.00 C ATOM 0 H VAL A 62 -5.647 1.700 4.775 1.00 0.00 H new ATOM 0 HA VAL A 62 -8.222 1.808 3.717 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.891 -0.213 3.768 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.744 -1.645 5.753 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.865 -0.108 5.941 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.443 -0.334 6.733 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.702 -1.795 4.377 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.542 -0.475 5.224 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -9.304 -0.392 3.462 1.00 0.00 H new ATOM 941 N ARG A 63 -8.044 2.208 6.946 1.00 0.00 N ATOM 942 CA ARG A 63 -8.737 2.675 8.171 1.00 0.00 C ATOM 943 C ARG A 63 -9.368 4.041 8.017 1.00 0.00 C ATOM 944 O ARG A 63 -10.459 4.299 8.529 1.00 0.00 O ATOM 945 CB ARG A 63 -7.816 2.687 9.386 1.00 0.00 C ATOM 946 CG ARG A 63 -7.464 1.319 9.893 1.00 0.00 C ATOM 947 CD ARG A 63 -8.698 0.624 10.316 1.00 0.00 C ATOM 948 NE ARG A 63 -8.450 -0.702 10.855 1.00 0.00 N ATOM 949 CZ ARG A 63 -9.292 -1.725 10.761 1.00 0.00 C ATOM 950 NH1 ARG A 63 -10.416 -1.604 10.059 1.00 0.00 N ATOM 951 NH2 ARG A 63 -8.992 -2.882 11.347 1.00 0.00 N ATOM 0 H ARG A 63 -7.037 2.098 7.062 1.00 0.00 H new ATOM 0 HA ARG A 63 -9.534 1.949 8.331 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.898 3.216 9.129 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -8.295 3.249 10.188 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.960 0.748 9.113 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.771 1.396 10.730 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -9.207 1.226 11.069 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -9.372 0.543 9.463 1.00 0.00 H new ATOM 0 HE ARG A 63 -7.567 -0.859 11.340 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -10.633 -0.724 9.591 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -11.061 -2.391 9.989 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -8.119 -2.980 11.865 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -9.635 -3.671 11.278 1.00 0.00 H new ATOM 965 N ALA A 64 -8.695 4.901 7.342 1.00 0.00 N ATOM 966 CA ALA A 64 -9.132 6.261 7.168 1.00 0.00 C ATOM 967 C ALA A 64 -9.929 6.431 5.888 1.00 0.00 C ATOM 968 O ALA A 64 -10.406 7.516 5.601 1.00 0.00 O ATOM 969 CB ALA A 64 -7.939 7.213 7.194 1.00 0.00 C ATOM 0 H ALA A 64 -7.809 4.688 6.883 1.00 0.00 H new ATOM 0 HA ALA A 64 -9.792 6.508 8.000 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.288 8.237 7.061 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.425 7.126 8.151 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.251 6.956 6.388 1.00 0.00 H new ATOM 975 N VAL A 65 -10.116 5.360 5.159 1.00 0.00 N ATOM 976 CA VAL A 65 -10.863 5.485 3.915 1.00 0.00 C ATOM 977 C VAL A 65 -12.165 4.713 3.892 1.00 0.00 C ATOM 978 O VAL A 65 -13.223 5.311 3.743 1.00 0.00 O ATOM 979 CB VAL A 65 -10.038 5.240 2.599 1.00 0.00 C ATOM 980 CG1 VAL A 65 -8.890 6.216 2.484 1.00 0.00 C ATOM 981 CG2 VAL A 65 -9.520 3.827 2.488 1.00 0.00 C ATOM 0 H VAL A 65 -9.780 4.424 5.384 1.00 0.00 H new ATOM 0 HA VAL A 65 -11.114 6.546 3.912 1.00 0.00 H new ATOM 0 HB VAL A 65 -10.732 5.402 1.774 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -8.338 6.022 1.564 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.279 7.234 2.466 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.224 6.097 3.339 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.959 3.717 1.560 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.868 3.611 3.334 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -10.359 3.131 2.489 1.00 0.00 H new ATOM 991 N LEU A 66 -12.126 3.431 4.143 1.00 0.00 N ATOM 992 CA LEU A 66 -13.304 2.619 3.941 1.00 0.00 C ATOM 993 C LEU A 66 -13.618 1.948 5.276 1.00 0.00 C ATOM 994 O LEU A 66 -12.815 2.055 6.211 1.00 0.00 O ATOM 995 CB LEU A 66 -13.043 1.624 2.733 1.00 0.00 C ATOM 996 CG LEU A 66 -14.270 1.108 1.899 1.00 0.00 C ATOM 997 CD1 LEU A 66 -13.865 0.871 0.461 1.00 0.00 C ATOM 998 CD2 LEU A 66 -14.823 -0.178 2.438 1.00 0.00 C ATOM 0 H LEU A 66 -11.306 2.929 4.483 1.00 0.00 H new ATOM 0 HA LEU A 66 -14.185 3.193 3.653 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -12.358 2.116 2.042 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -12.524 0.752 3.130 1.00 0.00 H new ATOM 0 HG LEU A 66 -15.036 1.880 1.967 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -14.725 0.514 -0.105 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -13.506 1.804 0.026 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -13.071 0.125 0.425 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -15.669 -0.494 1.828 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -14.050 -0.946 2.412 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -15.152 -0.030 3.466 1.00 0.00 H new ATOM 1010 N SER A 67 -14.750 1.324 5.383 1.00 0.00 N ATOM 1011 CA SER A 67 -15.131 0.705 6.646 1.00 0.00 C ATOM 1012 C SER A 67 -16.170 -0.386 6.490 1.00 0.00 C ATOM 1013 O SER A 67 -17.108 -0.261 5.697 1.00 0.00 O ATOM 1014 CB SER A 67 -15.560 1.767 7.679 1.00 0.00 C ATOM 1015 OG SER A 67 -16.370 2.779 7.082 1.00 0.00 O ATOM 0 H SER A 67 -15.430 1.222 4.629 1.00 0.00 H new ATOM 0 HA SER A 67 -14.240 0.206 7.027 1.00 0.00 H new ATOM 0 HB2 SER A 67 -16.112 1.288 8.488 1.00 0.00 H new ATOM 0 HB3 SER A 67 -14.675 2.223 8.123 1.00 0.00 H new ATOM 0 HG SER A 67 -16.627 3.436 7.762 1.00 0.00 H new ATOM 1021 N GLY A 68 -15.950 -1.477 7.192 1.00 0.00 N ATOM 1022 CA GLY A 68 -16.884 -2.557 7.226 1.00 0.00 C ATOM 1023 C GLY A 68 -16.421 -3.695 6.375 1.00 0.00 C ATOM 1024 O GLY A 68 -15.797 -4.653 6.868 1.00 0.00 O ATOM 0 H GLY A 68 -15.112 -1.630 7.754 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -17.015 -2.897 8.253 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -17.857 -2.211 6.878 1.00 0.00 H new ATOM 1028 N GLY A 69 -16.680 -3.577 5.105 1.00 0.00 N ATOM 1029 CA GLY A 69 -16.312 -4.587 4.163 1.00 0.00 C ATOM 1030 C GLY A 69 -14.845 -4.546 3.817 1.00 0.00 C ATOM 1031 O GLY A 69 -14.283 -5.553 3.366 1.00 0.00 O ATOM 0 H GLY A 69 -17.155 -2.773 4.694 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -16.559 -5.567 4.571 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -16.900 -4.463 3.254 1.00 0.00 H new ATOM 1035 N ASP A 70 -14.227 -3.381 4.051 1.00 0.00 N ATOM 1036 CA ASP A 70 -12.814 -3.106 3.708 1.00 0.00 C ATOM 1037 C ASP A 70 -11.899 -4.258 4.085 1.00 0.00 C ATOM 1038 O ASP A 70 -11.211 -4.817 3.212 1.00 0.00 O ATOM 1039 CB ASP A 70 -12.321 -1.794 4.380 1.00 0.00 C ATOM 1040 CG ASP A 70 -12.254 -1.847 5.899 1.00 0.00 C ATOM 1041 OD1 ASP A 70 -13.299 -1.788 6.544 1.00 0.00 O ATOM 1042 OD2 ASP A 70 -11.159 -1.949 6.460 1.00 0.00 O ATOM 0 H ASP A 70 -14.696 -2.588 4.490 1.00 0.00 H new ATOM 0 HA ASP A 70 -12.772 -2.987 2.625 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.330 -1.553 3.994 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -12.984 -0.980 4.087 1.00 0.00 H new ATOM 1047 N HIS A 71 -11.953 -4.670 5.339 1.00 0.00 N ATOM 1048 CA HIS A 71 -11.114 -5.717 5.839 1.00 0.00 C ATOM 1049 C HIS A 71 -11.348 -7.018 5.089 1.00 0.00 C ATOM 1050 O HIS A 71 -10.401 -7.622 4.601 1.00 0.00 O ATOM 1051 CB HIS A 71 -11.309 -5.914 7.353 1.00 0.00 C ATOM 1052 CG HIS A 71 -10.377 -6.919 7.966 1.00 0.00 C ATOM 1053 ND1 HIS A 71 -10.793 -8.138 8.438 1.00 0.00 N ATOM 1054 CD2 HIS A 71 -9.042 -6.882 8.154 1.00 0.00 C ATOM 1055 CE1 HIS A 71 -9.761 -8.810 8.880 1.00 0.00 C ATOM 1056 NE2 HIS A 71 -8.687 -8.075 8.721 1.00 0.00 N ATOM 0 H HIS A 71 -12.588 -4.278 6.035 1.00 0.00 H new ATOM 0 HA HIS A 71 -10.080 -5.415 5.671 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -11.173 -4.955 7.854 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -12.336 -6.227 7.538 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -8.380 -6.066 7.904 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -9.789 -9.803 9.304 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -7.739 -8.349 8.979 1.00 0.00 H new ATOM 1065 N LEU A 72 -12.601 -7.406 4.932 1.00 0.00 N ATOM 1066 CA LEU A 72 -12.873 -8.675 4.323 1.00 0.00 C ATOM 1067 C LEU A 72 -12.331 -8.847 2.887 1.00 0.00 C ATOM 1068 O LEU A 72 -11.497 -9.718 2.671 1.00 0.00 O ATOM 1069 CB LEU A 72 -14.286 -9.270 4.628 1.00 0.00 C ATOM 1070 CG LEU A 72 -15.546 -8.379 4.479 1.00 0.00 C ATOM 1071 CD1 LEU A 72 -15.907 -8.135 3.041 1.00 0.00 C ATOM 1072 CD2 LEU A 72 -16.728 -8.995 5.216 1.00 0.00 C ATOM 0 H LEU A 72 -13.421 -6.869 5.213 1.00 0.00 H new ATOM 0 HA LEU A 72 -12.233 -9.368 4.869 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -14.421 -10.135 3.979 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -14.269 -9.640 5.653 1.00 0.00 H new ATOM 0 HG LEU A 72 -15.305 -7.414 4.925 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -16.796 -7.506 2.991 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -15.079 -7.635 2.538 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -16.108 -9.087 2.550 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -17.603 -8.355 5.100 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -16.942 -9.980 4.802 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -16.487 -9.091 6.275 1.00 0.00 H new ATOM 1084 N LEU A 73 -12.681 -7.979 1.943 1.00 0.00 N ATOM 1085 CA LEU A 73 -12.120 -8.166 0.594 1.00 0.00 C ATOM 1086 C LEU A 73 -10.747 -7.522 0.393 1.00 0.00 C ATOM 1087 O LEU A 73 -9.799 -8.239 0.059 1.00 0.00 O ATOM 1088 CB LEU A 73 -13.074 -7.847 -0.563 1.00 0.00 C ATOM 1089 CG LEU A 73 -14.073 -8.944 -1.017 1.00 0.00 C ATOM 1090 CD1 LEU A 73 -13.360 -10.201 -1.448 1.00 0.00 C ATOM 1091 CD2 LEU A 73 -15.099 -9.262 0.033 1.00 0.00 C ATOM 0 H LEU A 73 -13.309 -7.185 2.064 1.00 0.00 H new ATOM 0 HA LEU A 73 -11.969 -9.245 0.551 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -13.652 -6.966 -0.284 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -12.469 -7.571 -1.426 1.00 0.00 H new ATOM 0 HG LEU A 73 -14.601 -8.532 -1.877 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -14.092 -10.946 -1.759 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -12.696 -9.975 -2.282 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -12.776 -10.592 -0.615 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -15.772 -10.035 -0.338 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -14.599 -9.617 0.934 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -15.672 -8.364 0.266 1.00 0.00 H new ATOM 1103 N TRP A 74 -10.620 -6.181 0.627 1.00 0.00 N ATOM 1104 CA TRP A 74 -9.353 -5.473 0.458 1.00 0.00 C ATOM 1105 C TRP A 74 -8.246 -6.176 1.265 1.00 0.00 C ATOM 1106 O TRP A 74 -7.154 -6.433 0.800 1.00 0.00 O ATOM 1107 CB TRP A 74 -9.453 -3.999 0.974 1.00 0.00 C ATOM 1108 CG TRP A 74 -10.164 -2.892 0.143 1.00 0.00 C ATOM 1109 CD1 TRP A 74 -11.148 -2.971 -0.822 1.00 0.00 C ATOM 1110 CD2 TRP A 74 -9.843 -1.506 0.238 1.00 0.00 C ATOM 1111 NE1 TRP A 74 -11.502 -1.690 -1.260 1.00 0.00 N ATOM 1112 CE2 TRP A 74 -10.712 -0.777 -0.601 1.00 0.00 C ATOM 1113 CE3 TRP A 74 -8.911 -0.837 0.983 1.00 0.00 C ATOM 1114 CZ2 TRP A 74 -10.663 0.616 -0.695 1.00 0.00 C ATOM 1115 CZ3 TRP A 74 -8.837 0.564 0.898 1.00 0.00 C ATOM 1116 CH2 TRP A 74 -9.726 1.274 0.070 1.00 0.00 C ATOM 0 H TRP A 74 -11.391 -5.587 0.932 1.00 0.00 H new ATOM 0 HA TRP A 74 -9.120 -5.474 -0.607 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -9.950 -4.036 1.943 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -8.434 -3.656 1.152 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -11.582 -3.890 -1.187 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -12.222 -1.471 -1.949 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -8.238 -1.380 1.630 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -11.336 1.157 -1.344 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -8.094 1.098 1.471 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -9.673 2.352 0.034 1.00 0.00 H new ATOM 1127 N LYS A 75 -8.568 -6.479 2.452 1.00 0.00 N ATOM 1128 CA LYS A 75 -7.605 -6.942 3.401 1.00 0.00 C ATOM 1129 C LYS A 75 -7.341 -8.427 3.448 1.00 0.00 C ATOM 1130 O LYS A 75 -6.186 -8.806 3.556 1.00 0.00 O ATOM 1131 CB LYS A 75 -7.763 -6.293 4.735 1.00 0.00 C ATOM 1132 CG LYS A 75 -7.805 -4.781 4.604 1.00 0.00 C ATOM 1133 CD LYS A 75 -6.454 -4.188 4.237 1.00 0.00 C ATOM 1134 CE LYS A 75 -5.552 -4.132 5.489 1.00 0.00 C ATOM 1135 NZ LYS A 75 -4.230 -3.501 5.269 1.00 0.00 N ATOM 0 H LYS A 75 -9.519 -6.418 2.815 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.658 -6.590 2.992 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.679 -6.646 5.209 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -6.937 -6.582 5.384 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.537 -4.506 3.844 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.144 -4.348 5.545 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.980 -4.791 3.462 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.585 -3.187 3.826 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.075 -3.585 6.273 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -5.399 -5.147 5.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.849 -3.167 6.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.578 -4.197 4.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.334 -2.695 4.620 1.00 0.00 H new ATOM 1149 N SER A 76 -8.361 -9.290 3.386 1.00 0.00 N ATOM 1150 CA SER A 76 -8.046 -10.715 3.412 1.00 0.00 C ATOM 1151 C SER A 76 -7.264 -11.065 2.156 1.00 0.00 C ATOM 1152 O SER A 76 -6.335 -11.880 2.179 1.00 0.00 O ATOM 1153 CB SER A 76 -9.295 -11.564 3.540 1.00 0.00 C ATOM 1154 OG SER A 76 -10.085 -11.128 4.644 1.00 0.00 O ATOM 0 H SER A 76 -9.349 -9.047 3.322 1.00 0.00 H new ATOM 0 HA SER A 76 -7.438 -10.930 4.291 1.00 0.00 H new ATOM 0 HB2 SER A 76 -9.879 -11.503 2.621 1.00 0.00 H new ATOM 0 HB3 SER A 76 -9.019 -12.610 3.674 1.00 0.00 H new ATOM 0 HG SER A 76 -10.880 -10.661 4.313 1.00 0.00 H new ATOM 1160 N GLU A 77 -7.596 -10.374 1.078 1.00 0.00 N ATOM 1161 CA GLU A 77 -6.877 -10.516 -0.146 1.00 0.00 C ATOM 1162 C GLU A 77 -5.520 -9.841 -0.069 1.00 0.00 C ATOM 1163 O GLU A 77 -4.607 -10.219 -0.800 1.00 0.00 O ATOM 1164 CB GLU A 77 -7.687 -9.984 -1.293 1.00 0.00 C ATOM 1165 CG GLU A 77 -8.522 -11.014 -1.998 1.00 0.00 C ATOM 1166 CD GLU A 77 -7.674 -11.833 -2.924 1.00 0.00 C ATOM 1167 OE1 GLU A 77 -7.305 -11.312 -4.004 1.00 0.00 O ATOM 1168 OE2 GLU A 77 -7.380 -13.002 -2.626 1.00 0.00 O ATOM 0 H GLU A 77 -8.367 -9.708 1.041 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.701 -11.578 -0.317 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.342 -9.195 -0.923 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.012 -9.525 -2.016 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.003 -11.663 -1.267 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.316 -10.524 -2.561 1.00 0.00 H new ATOM 1175 N PHE A 78 -5.380 -8.833 0.803 1.00 0.00 N ATOM 1176 CA PHE A 78 -4.093 -8.181 1.006 1.00 0.00 C ATOM 1177 C PHE A 78 -3.092 -9.205 1.417 1.00 0.00 C ATOM 1178 O PHE A 78 -2.073 -9.375 0.771 1.00 0.00 O ATOM 1179 CB PHE A 78 -4.220 -7.059 2.056 1.00 0.00 C ATOM 1180 CG PHE A 78 -2.937 -6.439 2.502 1.00 0.00 C ATOM 1181 CD1 PHE A 78 -2.200 -5.650 1.644 1.00 0.00 C ATOM 1182 CD2 PHE A 78 -2.483 -6.624 3.802 1.00 0.00 C ATOM 1183 CE1 PHE A 78 -1.038 -5.058 2.063 1.00 0.00 C ATOM 1184 CE2 PHE A 78 -1.313 -6.036 4.224 1.00 0.00 C ATOM 1185 CZ PHE A 78 -0.590 -5.251 3.354 1.00 0.00 C ATOM 0 H PHE A 78 -6.140 -8.459 1.372 1.00 0.00 H new ATOM 0 HA PHE A 78 -3.759 -7.718 0.077 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -4.858 -6.275 1.647 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -4.731 -7.462 2.931 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -2.543 -5.497 0.631 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -3.053 -7.234 4.487 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -0.472 -4.440 1.382 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -0.963 -6.190 5.234 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.328 -4.786 3.682 1.00 0.00 H new ATOM 1195 N PHE A 79 -3.447 -9.937 2.434 1.00 0.00 N ATOM 1196 CA PHE A 79 -2.625 -10.975 2.995 1.00 0.00 C ATOM 1197 C PHE A 79 -2.323 -12.083 1.989 1.00 0.00 C ATOM 1198 O PHE A 79 -1.181 -12.546 1.888 1.00 0.00 O ATOM 1199 CB PHE A 79 -3.297 -11.506 4.251 1.00 0.00 C ATOM 1200 CG PHE A 79 -3.272 -10.488 5.371 1.00 0.00 C ATOM 1201 CD1 PHE A 79 -2.091 -10.206 6.043 1.00 0.00 C ATOM 1202 CD2 PHE A 79 -4.412 -9.781 5.717 1.00 0.00 C ATOM 1203 CE1 PHE A 79 -2.055 -9.233 7.035 1.00 0.00 C ATOM 1204 CE2 PHE A 79 -4.387 -8.819 6.706 1.00 0.00 C ATOM 1205 CZ PHE A 79 -3.208 -8.540 7.364 1.00 0.00 C ATOM 0 H PHE A 79 -4.342 -9.826 2.911 1.00 0.00 H new ATOM 0 HA PHE A 79 -1.655 -10.555 3.260 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -4.329 -11.774 4.026 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -2.794 -12.417 4.576 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.191 -10.748 5.793 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -5.339 -9.987 5.202 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -1.129 -9.018 7.548 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -5.290 -8.285 6.964 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.184 -7.783 8.134 1.00 0.00 H new ATOM 1215 N GLU A 80 -3.324 -12.454 1.226 1.00 0.00 N ATOM 1216 CA GLU A 80 -3.180 -13.483 0.213 1.00 0.00 C ATOM 1217 C GLU A 80 -2.228 -13.069 -0.899 1.00 0.00 C ATOM 1218 O GLU A 80 -1.199 -13.712 -1.088 1.00 0.00 O ATOM 1219 CB GLU A 80 -4.535 -13.874 -0.352 1.00 0.00 C ATOM 1220 CG GLU A 80 -5.450 -14.490 0.672 1.00 0.00 C ATOM 1221 CD GLU A 80 -4.885 -15.746 1.267 1.00 0.00 C ATOM 1222 OE1 GLU A 80 -4.878 -16.799 0.595 1.00 0.00 O ATOM 1223 OE2 GLU A 80 -4.431 -15.708 2.420 1.00 0.00 O ATOM 0 H GLU A 80 -4.261 -12.055 1.286 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.741 -14.354 0.700 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -5.014 -12.990 -0.773 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.390 -14.579 -1.171 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.638 -13.768 1.467 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.411 -14.712 0.209 1.00 0.00 H new ATOM 1230 N ASN A 81 -2.531 -11.963 -1.583 1.00 0.00 N ATOM 1231 CA ASN A 81 -1.737 -11.556 -2.754 1.00 0.00 C ATOM 1232 C ASN A 81 -0.318 -11.227 -2.391 1.00 0.00 C ATOM 1233 O ASN A 81 0.598 -11.490 -3.168 1.00 0.00 O ATOM 1234 CB ASN A 81 -2.322 -10.365 -3.539 1.00 0.00 C ATOM 1235 CG ASN A 81 -3.681 -10.614 -4.161 1.00 0.00 C ATOM 1236 OD1 ASN A 81 -3.786 -11.209 -5.223 1.00 0.00 O ATOM 1237 ND2 ASN A 81 -4.710 -10.085 -3.561 1.00 0.00 N ATOM 0 H ASN A 81 -3.306 -11.340 -1.355 1.00 0.00 H new ATOM 0 HA ASN A 81 -1.769 -12.433 -3.401 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -2.397 -9.509 -2.868 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -1.622 -10.091 -4.329 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -5.638 -10.161 -3.977 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -4.587 -9.595 -2.675 1.00 0.00 H new ATOM 1244 N CYS A 82 -0.111 -10.666 -1.219 1.00 0.00 N ATOM 1245 CA CYS A 82 1.223 -10.285 -0.851 1.00 0.00 C ATOM 1246 C CYS A 82 2.097 -11.492 -0.511 1.00 0.00 C ATOM 1247 O CYS A 82 3.176 -11.630 -1.069 1.00 0.00 O ATOM 1248 CB CYS A 82 1.247 -9.234 0.242 1.00 0.00 C ATOM 1249 SG CYS A 82 0.506 -9.744 1.806 1.00 0.00 S ATOM 0 H CYS A 82 -0.832 -10.470 -0.525 1.00 0.00 H new ATOM 0 HA CYS A 82 1.662 -9.820 -1.733 1.00 0.00 H new ATOM 0 HB2 CYS A 82 2.282 -8.945 0.425 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.727 -8.346 -0.117 1.00 0.00 H new ATOM 0 HG CYS A 82 -0.780 -9.556 1.759 1.00 0.00 H new ATOM 1255 N ARG A 83 1.622 -12.398 0.364 1.00 0.00 N ATOM 1256 CA ARG A 83 2.428 -13.586 0.684 1.00 0.00 C ATOM 1257 C ARG A 83 2.552 -14.515 -0.506 1.00 0.00 C ATOM 1258 O ARG A 83 3.537 -15.237 -0.630 1.00 0.00 O ATOM 1259 CB ARG A 83 1.991 -14.361 1.947 1.00 0.00 C ATOM 1260 CG ARG A 83 2.469 -13.741 3.259 1.00 0.00 C ATOM 1261 CD ARG A 83 1.699 -12.498 3.639 1.00 0.00 C ATOM 1262 NE ARG A 83 2.372 -11.734 4.701 1.00 0.00 N ATOM 1263 CZ ARG A 83 2.044 -11.739 6.001 1.00 0.00 C ATOM 1264 NH1 ARG A 83 1.016 -12.459 6.439 1.00 0.00 N ATOM 1265 NH2 ARG A 83 2.739 -10.998 6.857 1.00 0.00 N ATOM 0 H ARG A 83 0.724 -12.336 0.843 1.00 0.00 H new ATOM 0 HA ARG A 83 3.411 -13.183 0.928 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.903 -14.423 1.963 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.368 -15.382 1.882 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.377 -14.477 4.057 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.527 -13.494 3.174 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.576 -11.865 2.760 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.700 -12.779 3.972 1.00 0.00 H new ATOM 0 HE ARG A 83 3.159 -11.148 4.423 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.467 -13.016 5.784 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.776 -12.455 7.430 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.518 -10.429 6.524 1.00 0.00 H new ATOM 0 HH22 ARG A 83 2.494 -10.998 7.847 1.00 0.00 H new ATOM 1279 N ASP A 84 1.561 -14.460 -1.391 1.00 0.00 N ATOM 1280 CA ASP A 84 1.572 -15.211 -2.657 1.00 0.00 C ATOM 1281 C ASP A 84 2.797 -14.785 -3.428 1.00 0.00 C ATOM 1282 O ASP A 84 3.699 -15.549 -3.675 1.00 0.00 O ATOM 1283 CB ASP A 84 0.351 -14.812 -3.498 1.00 0.00 C ATOM 1284 CG ASP A 84 0.136 -15.653 -4.755 1.00 0.00 C ATOM 1285 OD1 ASP A 84 0.938 -15.554 -5.705 1.00 0.00 O ATOM 1286 OD2 ASP A 84 -0.855 -16.425 -4.819 1.00 0.00 O ATOM 0 H ASP A 84 0.723 -13.894 -1.257 1.00 0.00 H new ATOM 0 HA ASP A 84 1.563 -16.282 -2.455 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -0.540 -14.882 -2.875 1.00 0.00 H new ATOM 0 HB3 ASP A 84 0.455 -13.767 -3.790 1.00 0.00 H new ATOM 1291 N THR A 85 2.856 -13.524 -3.670 1.00 0.00 N ATOM 1292 CA THR A 85 3.890 -12.916 -4.440 1.00 0.00 C ATOM 1293 C THR A 85 5.268 -13.029 -3.716 1.00 0.00 C ATOM 1294 O THR A 85 6.320 -13.230 -4.344 1.00 0.00 O ATOM 1295 CB THR A 85 3.461 -11.459 -4.667 1.00 0.00 C ATOM 1296 OG1 THR A 85 2.162 -11.460 -5.317 1.00 0.00 O ATOM 1297 CG2 THR A 85 4.459 -10.672 -5.494 1.00 0.00 C ATOM 0 H THR A 85 2.162 -12.860 -3.326 1.00 0.00 H new ATOM 0 HA THR A 85 4.026 -13.419 -5.397 1.00 0.00 H new ATOM 0 HB THR A 85 3.411 -10.965 -3.697 1.00 0.00 H new ATOM 0 HG1 THR A 85 1.463 -11.296 -4.650 1.00 0.00 H new ATOM 0 HG21 THR A 85 4.101 -9.650 -5.621 1.00 0.00 H new ATOM 0 HG22 THR A 85 5.423 -10.659 -4.985 1.00 0.00 H new ATOM 0 HG23 THR A 85 4.571 -11.141 -6.472 1.00 0.00 H new ATOM 1305 N ALA A 86 5.226 -13.013 -2.412 1.00 0.00 N ATOM 1306 CA ALA A 86 6.423 -13.107 -1.641 1.00 0.00 C ATOM 1307 C ALA A 86 7.019 -14.512 -1.681 1.00 0.00 C ATOM 1308 O ALA A 86 8.247 -14.662 -1.774 1.00 0.00 O ATOM 1309 CB ALA A 86 6.171 -12.670 -0.242 1.00 0.00 C ATOM 0 H ALA A 86 4.369 -12.935 -1.864 1.00 0.00 H new ATOM 0 HA ALA A 86 7.160 -12.439 -2.087 1.00 0.00 H new ATOM 0 HB1 ALA A 86 7.093 -12.747 0.335 1.00 0.00 H new ATOM 0 HB2 ALA A 86 5.827 -11.636 -0.240 1.00 0.00 H new ATOM 0 HB3 ALA A 86 5.408 -13.307 0.206 1.00 0.00 H new ATOM 1315 N LYS A 87 6.160 -15.547 -1.648 1.00 0.00 N ATOM 1316 CA LYS A 87 6.647 -16.922 -1.735 1.00 0.00 C ATOM 1317 C LYS A 87 7.213 -17.196 -3.113 1.00 0.00 C ATOM 1318 O LYS A 87 8.141 -17.963 -3.252 1.00 0.00 O ATOM 1319 CB LYS A 87 5.596 -17.993 -1.344 1.00 0.00 C ATOM 1320 CG LYS A 87 4.354 -18.046 -2.184 1.00 0.00 C ATOM 1321 CD LYS A 87 3.448 -19.172 -1.717 1.00 0.00 C ATOM 1322 CE LYS A 87 2.173 -19.259 -2.535 1.00 0.00 C ATOM 1323 NZ LYS A 87 1.321 -20.383 -2.106 1.00 0.00 N ATOM 0 H LYS A 87 5.148 -15.455 -1.563 1.00 0.00 H new ATOM 0 HA LYS A 87 7.439 -17.008 -0.991 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.075 -18.971 -1.380 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.301 -17.821 -0.309 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.825 -17.095 -2.122 1.00 0.00 H new ATOM 0 HG3 LYS A 87 4.621 -18.195 -3.230 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.985 -20.118 -1.782 1.00 0.00 H new ATOM 0 HD3 LYS A 87 3.195 -19.021 -0.668 1.00 0.00 H new ATOM 0 HE2 LYS A 87 1.617 -18.326 -2.442 1.00 0.00 H new ATOM 0 HE3 LYS A 87 2.425 -19.376 -3.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 0.460 -20.408 -2.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 1.842 -21.276 -2.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 1.059 -20.259 -1.107 1.00 0.00 H new ATOM 1337 N ARG A 88 6.685 -16.501 -4.119 1.00 0.00 N ATOM 1338 CA ARG A 88 7.192 -16.622 -5.491 1.00 0.00 C ATOM 1339 C ARG A 88 8.624 -16.081 -5.561 1.00 0.00 C ATOM 1340 O ARG A 88 9.482 -16.628 -6.258 1.00 0.00 O ATOM 1341 CB ARG A 88 6.273 -15.907 -6.499 1.00 0.00 C ATOM 1342 CG ARG A 88 5.010 -16.680 -6.965 1.00 0.00 C ATOM 1343 CD ARG A 88 4.250 -17.359 -5.835 1.00 0.00 C ATOM 1344 NE ARG A 88 2.799 -17.474 -6.099 1.00 0.00 N ATOM 1345 CZ ARG A 88 2.092 -18.602 -6.223 1.00 0.00 C ATOM 1346 NH1 ARG A 88 2.695 -19.777 -6.397 1.00 0.00 N ATOM 1347 NH2 ARG A 88 0.770 -18.535 -6.222 1.00 0.00 N ATOM 0 H ARG A 88 5.908 -15.849 -4.014 1.00 0.00 H new ATOM 0 HA ARG A 88 7.201 -17.677 -5.766 1.00 0.00 H new ATOM 0 HB2 ARG A 88 5.950 -14.965 -6.056 1.00 0.00 H new ATOM 0 HB3 ARG A 88 6.864 -15.659 -7.381 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.340 -15.988 -7.475 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.306 -17.434 -7.695 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.664 -18.354 -5.673 1.00 0.00 H new ATOM 0 HD3 ARG A 88 4.402 -16.797 -4.914 1.00 0.00 H new ATOM 0 HE ARG A 88 2.283 -16.600 -6.197 1.00 0.00 H new ATOM 0 HH11 ARG A 88 3.713 -19.827 -6.438 1.00 0.00 H new ATOM 0 HH12 ARG A 88 2.139 -20.627 -6.490 1.00 0.00 H new ATOM 0 HH21 ARG A 88 0.305 -17.632 -6.128 1.00 0.00 H new ATOM 0 HH22 ARG A 88 0.216 -19.386 -6.316 1.00 0.00 H new ATOM 1361 N ASN A 89 8.896 -15.043 -4.774 1.00 0.00 N ATOM 1362 CA ASN A 89 10.240 -14.486 -4.671 1.00 0.00 C ATOM 1363 C ASN A 89 11.142 -15.413 -3.925 1.00 0.00 C ATOM 1364 O ASN A 89 12.347 -15.448 -4.168 1.00 0.00 O ATOM 1365 CB ASN A 89 10.237 -13.104 -4.025 1.00 0.00 C ATOM 1366 CG ASN A 89 9.785 -12.038 -4.988 1.00 0.00 C ATOM 1367 OD1 ASN A 89 10.022 -12.141 -6.191 1.00 0.00 O ATOM 1368 ND2 ASN A 89 9.151 -11.016 -4.488 1.00 0.00 N ATOM 0 H ASN A 89 8.200 -14.570 -4.197 1.00 0.00 H new ATOM 0 HA ASN A 89 10.620 -14.371 -5.686 1.00 0.00 H new ATOM 0 HB2 ASN A 89 9.580 -13.111 -3.155 1.00 0.00 H new ATOM 0 HB3 ASN A 89 11.239 -12.868 -3.666 1.00 0.00 H new ATOM 0 HD21 ASN A 89 8.832 -10.265 -5.100 1.00 0.00 H new ATOM 0 HD22 ASN A 89 8.973 -10.967 -3.485 1.00 0.00 H new ATOM 1375 N GLN A 90 10.566 -16.182 -3.014 1.00 0.00 N ATOM 1376 CA GLN A 90 11.345 -17.168 -2.303 1.00 0.00 C ATOM 1377 C GLN A 90 11.688 -18.341 -3.246 1.00 0.00 C ATOM 1378 O GLN A 90 12.806 -18.866 -3.210 1.00 0.00 O ATOM 1379 CB GLN A 90 10.643 -17.686 -1.028 1.00 0.00 C ATOM 1380 CG GLN A 90 10.172 -16.618 -0.024 1.00 0.00 C ATOM 1381 CD GLN A 90 11.182 -15.502 0.205 1.00 0.00 C ATOM 1382 OE1 GLN A 90 12.078 -15.605 1.050 1.00 0.00 O ATOM 1383 NE2 GLN A 90 10.975 -14.391 -0.471 1.00 0.00 N ATOM 0 H GLN A 90 9.580 -16.140 -2.757 1.00 0.00 H new ATOM 0 HA GLN A 90 12.261 -16.679 -1.973 1.00 0.00 H new ATOM 0 HB2 GLN A 90 9.778 -18.276 -1.330 1.00 0.00 H new ATOM 0 HB3 GLN A 90 11.326 -18.362 -0.513 1.00 0.00 H new ATOM 0 HG2 GLN A 90 9.239 -16.183 -0.382 1.00 0.00 H new ATOM 0 HG3 GLN A 90 9.954 -17.100 0.929 1.00 0.00 H new ATOM 0 HE21 GLN A 90 10.225 -14.346 -1.160 1.00 0.00 H new ATOM 0 HE22 GLN A 90 11.565 -13.576 -0.305 1.00 0.00 H new ATOM 1392 N GLN A 91 10.723 -18.731 -4.108 1.00 0.00 N ATOM 1393 CA GLN A 91 10.926 -19.808 -5.122 1.00 0.00 C ATOM 1394 C GLN A 91 12.100 -19.488 -5.994 1.00 0.00 C ATOM 1395 O GLN A 91 13.013 -20.278 -6.135 1.00 0.00 O ATOM 1396 CB GLN A 91 9.738 -19.912 -6.080 1.00 0.00 C ATOM 1397 CG GLN A 91 8.378 -20.009 -5.474 1.00 0.00 C ATOM 1398 CD GLN A 91 8.109 -21.261 -4.674 1.00 0.00 C ATOM 1399 OE1 GLN A 91 8.999 -21.862 -4.065 1.00 0.00 O ATOM 1400 NE2 GLN A 91 6.880 -21.664 -4.679 1.00 0.00 N ATOM 0 H GLN A 91 9.790 -18.319 -4.127 1.00 0.00 H new ATOM 0 HA GLN A 91 11.063 -20.731 -4.558 1.00 0.00 H new ATOM 0 HB2 GLN A 91 9.755 -19.040 -6.734 1.00 0.00 H new ATOM 0 HB3 GLN A 91 9.889 -20.787 -6.712 1.00 0.00 H new ATOM 0 HG2 GLN A 91 8.226 -19.146 -4.826 1.00 0.00 H new ATOM 0 HG3 GLN A 91 7.638 -19.943 -6.272 1.00 0.00 H new ATOM 0 HE21 GLN A 91 6.173 -21.139 -5.195 1.00 0.00 H new ATOM 0 HE22 GLN A 91 6.617 -22.506 -4.167 1.00 0.00 H new ATOM 1409 N ALA A 92 12.071 -18.305 -6.571 1.00 0.00 N ATOM 1410 CA ALA A 92 13.091 -17.887 -7.506 1.00 0.00 C ATOM 1411 C ALA A 92 14.387 -17.541 -6.782 1.00 0.00 C ATOM 1412 O ALA A 92 15.435 -17.378 -7.399 1.00 0.00 O ATOM 1413 CB ALA A 92 12.595 -16.719 -8.347 1.00 0.00 C ATOM 0 H ALA A 92 11.343 -17.610 -6.405 1.00 0.00 H new ATOM 0 HA ALA A 92 13.305 -18.719 -8.178 1.00 0.00 H new ATOM 0 HB1 ALA A 92 13.375 -16.417 -9.046 1.00 0.00 H new ATOM 0 HB2 ALA A 92 11.708 -17.022 -8.903 1.00 0.00 H new ATOM 0 HB3 ALA A 92 12.347 -15.881 -7.696 1.00 0.00 H new ATOM 1419 N GLY A 93 14.294 -17.439 -5.472 1.00 0.00 N ATOM 1420 CA GLY A 93 15.429 -17.139 -4.658 1.00 0.00 C ATOM 1421 C GLY A 93 15.896 -15.748 -4.901 1.00 0.00 C ATOM 1422 O GLY A 93 17.074 -15.505 -5.147 1.00 0.00 O ATOM 0 H GLY A 93 13.425 -17.564 -4.952 1.00 0.00 H new ATOM 0 HA2 GLY A 93 15.172 -17.263 -3.606 1.00 0.00 H new ATOM 0 HA3 GLY A 93 16.234 -17.841 -4.874 1.00 0.00 H new ATOM 1426 N ASN A 94 14.973 -14.836 -4.857 1.00 0.00 N ATOM 1427 CA ASN A 94 15.257 -13.448 -5.118 1.00 0.00 C ATOM 1428 C ASN A 94 15.616 -12.761 -3.836 1.00 0.00 C ATOM 1429 O ASN A 94 15.372 -13.304 -2.747 1.00 0.00 O ATOM 1430 CB ASN A 94 14.060 -12.733 -5.775 1.00 0.00 C ATOM 1431 CG ASN A 94 13.707 -13.254 -7.164 1.00 0.00 C ATOM 1432 OD1 ASN A 94 14.570 -13.727 -7.896 1.00 0.00 O ATOM 1433 ND2 ASN A 94 12.448 -13.148 -7.550 1.00 0.00 N ATOM 0 H ASN A 94 13.996 -15.029 -4.639 1.00 0.00 H new ATOM 0 HA ASN A 94 16.094 -13.401 -5.814 1.00 0.00 H new ATOM 0 HB2 ASN A 94 13.189 -12.837 -5.128 1.00 0.00 H new ATOM 0 HB3 ASN A 94 14.280 -11.668 -5.844 1.00 0.00 H new ATOM 0 HD21 ASN A 94 12.171 -13.464 -8.479 1.00 0.00 H new ATOM 0 HD22 ASN A 94 11.753 -12.750 -6.919 1.00 0.00 H new ATOM 1440 N GLY A 95 16.152 -11.566 -3.937 1.00 0.00 N ATOM 1441 CA GLY A 95 16.552 -10.817 -2.762 1.00 0.00 C ATOM 1442 C GLY A 95 15.406 -10.064 -2.143 1.00 0.00 C ATOM 1443 O GLY A 95 15.534 -8.894 -1.814 1.00 0.00 O ATOM 0 H GLY A 95 16.322 -11.089 -4.822 1.00 0.00 H new ATOM 0 HA2 GLY A 95 16.974 -11.501 -2.025 1.00 0.00 H new ATOM 0 HA3 GLY A 95 17.340 -10.115 -3.033 1.00 0.00 H new ATOM 1447 N TRP A 96 14.291 -10.736 -1.993 1.00 0.00 N ATOM 1448 CA TRP A 96 13.107 -10.170 -1.407 1.00 0.00 C ATOM 1449 C TRP A 96 12.525 -11.144 -0.446 1.00 0.00 C ATOM 1450 O TRP A 96 12.846 -12.332 -0.493 1.00 0.00 O ATOM 1451 CB TRP A 96 12.087 -9.702 -2.453 1.00 0.00 C ATOM 1452 CG TRP A 96 12.603 -8.536 -3.219 1.00 0.00 C ATOM 1453 CD1 TRP A 96 12.872 -7.302 -2.715 1.00 0.00 C ATOM 1454 CD2 TRP A 96 12.943 -8.483 -4.601 1.00 0.00 C ATOM 1455 NE1 TRP A 96 13.356 -6.491 -3.689 1.00 0.00 N ATOM 1456 CE2 TRP A 96 13.407 -7.185 -4.861 1.00 0.00 C ATOM 1457 CE3 TRP A 96 12.900 -9.403 -5.646 1.00 0.00 C ATOM 1458 CZ2 TRP A 96 13.823 -6.788 -6.116 1.00 0.00 C ATOM 1459 CZ3 TRP A 96 13.318 -9.002 -6.892 1.00 0.00 C ATOM 1460 CH2 TRP A 96 13.774 -7.700 -7.112 1.00 0.00 C ATOM 0 H TRP A 96 14.182 -11.708 -2.281 1.00 0.00 H new ATOM 0 HA TRP A 96 13.390 -9.266 -0.868 1.00 0.00 H new ATOM 0 HB2 TRP A 96 11.862 -10.520 -3.137 1.00 0.00 H new ATOM 0 HB3 TRP A 96 11.153 -9.433 -1.960 1.00 0.00 H new ATOM 0 HD1 TRP A 96 12.722 -7.009 -1.686 1.00 0.00 H new ATOM 0 HE1 TRP A 96 13.637 -5.518 -3.564 1.00 0.00 H new ATOM 0 HE3 TRP A 96 12.546 -10.410 -5.480 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 14.176 -5.783 -6.296 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 13.294 -9.703 -7.713 1.00 0.00 H new ATOM 0 HH2 TRP A 96 14.095 -7.415 -8.103 1.00 0.00 H new ATOM 1471 N ASP A 97 11.655 -10.677 0.385 1.00 0.00 N ATOM 1472 CA ASP A 97 11.173 -11.458 1.512 1.00 0.00 C ATOM 1473 C ASP A 97 9.779 -11.015 1.876 1.00 0.00 C ATOM 1474 O ASP A 97 9.390 -9.940 1.502 1.00 0.00 O ATOM 1475 CB ASP A 97 12.183 -11.273 2.663 1.00 0.00 C ATOM 1476 CG ASP A 97 11.604 -11.333 4.048 1.00 0.00 C ATOM 1477 OD1 ASP A 97 11.242 -12.431 4.524 1.00 0.00 O ATOM 1478 OD2 ASP A 97 11.479 -10.276 4.667 1.00 0.00 O ATOM 0 H ASP A 97 11.248 -9.744 0.316 1.00 0.00 H new ATOM 0 HA ASP A 97 11.104 -12.520 1.275 1.00 0.00 H new ATOM 0 HB2 ASP A 97 12.951 -12.041 2.576 1.00 0.00 H new ATOM 0 HB3 ASP A 97 12.679 -10.311 2.537 1.00 0.00 H new ATOM 1483 N PHE A 98 9.030 -11.850 2.575 1.00 0.00 N ATOM 1484 CA PHE A 98 7.655 -11.562 2.920 1.00 0.00 C ATOM 1485 C PHE A 98 7.489 -10.547 4.085 1.00 0.00 C ATOM 1486 O PHE A 98 6.376 -10.105 4.381 1.00 0.00 O ATOM 1487 CB PHE A 98 6.769 -12.811 2.991 1.00 0.00 C ATOM 1488 CG PHE A 98 6.814 -13.608 4.219 1.00 0.00 C ATOM 1489 CD1 PHE A 98 7.884 -14.415 4.521 1.00 0.00 C ATOM 1490 CD2 PHE A 98 5.747 -13.558 5.070 1.00 0.00 C ATOM 1491 CE1 PHE A 98 7.883 -15.161 5.672 1.00 0.00 C ATOM 1492 CE2 PHE A 98 5.722 -14.284 6.207 1.00 0.00 C ATOM 1493 CZ PHE A 98 6.796 -15.100 6.527 1.00 0.00 C ATOM 0 H PHE A 98 9.363 -12.750 2.919 1.00 0.00 H new ATOM 0 HA PHE A 98 7.250 -11.012 2.070 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.737 -12.500 2.831 1.00 0.00 H new ATOM 0 HB3 PHE A 98 7.039 -13.461 2.159 1.00 0.00 H new ATOM 0 HD1 PHE A 98 8.729 -14.462 3.850 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.906 -12.925 4.828 1.00 0.00 H new ATOM 0 HE1 PHE A 98 8.726 -15.793 5.910 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.868 -14.230 6.866 1.00 0.00 H new ATOM 0 HZ PHE A 98 6.785 -15.683 7.436 1.00 0.00 H new ATOM 1503 N ASP A 99 8.564 -10.331 4.838 1.00 0.00 N ATOM 1504 CA ASP A 99 8.617 -9.230 5.842 1.00 0.00 C ATOM 1505 C ASP A 99 8.941 -7.941 5.106 1.00 0.00 C ATOM 1506 O ASP A 99 8.469 -6.865 5.464 1.00 0.00 O ATOM 1507 CB ASP A 99 9.702 -9.473 6.924 1.00 0.00 C ATOM 1508 CG ASP A 99 9.417 -10.576 7.896 1.00 0.00 C ATOM 1509 OD1 ASP A 99 8.515 -11.415 7.658 1.00 0.00 O ATOM 1510 OD2 ASP A 99 10.090 -10.622 8.947 1.00 0.00 O ATOM 0 H ASP A 99 9.415 -10.891 4.786 1.00 0.00 H new ATOM 0 HA ASP A 99 7.653 -9.179 6.348 1.00 0.00 H new ATOM 0 HB2 ASP A 99 10.645 -9.690 6.423 1.00 0.00 H new ATOM 0 HB3 ASP A 99 9.844 -8.548 7.484 1.00 0.00 H new ATOM 1515 N MET A 100 9.809 -8.042 4.089 1.00 0.00 N ATOM 1516 CA MET A 100 10.126 -6.878 3.241 1.00 0.00 C ATOM 1517 C MET A 100 8.885 -6.504 2.463 1.00 0.00 C ATOM 1518 O MET A 100 8.418 -5.360 2.469 1.00 0.00 O ATOM 1519 CB MET A 100 11.223 -7.191 2.201 1.00 0.00 C ATOM 1520 CG MET A 100 12.573 -7.614 2.722 1.00 0.00 C ATOM 1521 SD MET A 100 13.708 -7.961 1.365 1.00 0.00 S ATOM 1522 CE MET A 100 15.182 -8.467 2.248 1.00 0.00 C ATOM 0 H MET A 100 10.298 -8.900 3.834 1.00 0.00 H new ATOM 0 HA MET A 100 10.474 -6.081 3.898 1.00 0.00 H new ATOM 0 HB2 MET A 100 10.852 -7.980 1.547 1.00 0.00 H new ATOM 0 HB3 MET A 100 11.363 -6.305 1.582 1.00 0.00 H new ATOM 0 HG2 MET A 100 12.986 -6.828 3.354 1.00 0.00 H new ATOM 0 HG3 MET A 100 12.465 -8.501 3.346 1.00 0.00 H new ATOM 0 HE1 MET A 100 15.968 -8.712 1.534 1.00 0.00 H new ATOM 0 HE2 MET A 100 15.517 -7.654 2.892 1.00 0.00 H new ATOM 0 HE3 MET A 100 14.959 -9.343 2.857 1.00 0.00 H new ATOM 1532 N LEU A 101 8.375 -7.490 1.786 1.00 0.00 N ATOM 1533 CA LEU A 101 7.232 -7.361 0.967 1.00 0.00 C ATOM 1534 C LEU A 101 6.048 -7.737 1.778 1.00 0.00 C ATOM 1535 O LEU A 101 5.748 -8.913 1.903 1.00 0.00 O ATOM 1536 CB LEU A 101 7.368 -8.246 -0.312 1.00 0.00 C ATOM 1537 CG LEU A 101 6.314 -8.103 -1.445 1.00 0.00 C ATOM 1538 CD1 LEU A 101 6.864 -8.704 -2.704 1.00 0.00 C ATOM 1539 CD2 LEU A 101 5.008 -8.811 -1.123 1.00 0.00 C ATOM 0 H LEU A 101 8.765 -8.433 1.797 1.00 0.00 H new ATOM 0 HA LEU A 101 7.121 -6.334 0.620 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.347 -8.047 -0.747 1.00 0.00 H new ATOM 0 HB3 LEU A 101 7.367 -9.288 0.008 1.00 0.00 H new ATOM 0 HG LEU A 101 6.108 -7.039 -1.558 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.130 -8.608 -3.504 1.00 0.00 H new ATOM 0 HD12 LEU A 101 7.779 -8.183 -2.986 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.083 -9.759 -2.538 1.00 0.00 H new ATOM 0 HD21 LEU A 101 4.309 -8.678 -1.949 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.197 -9.874 -0.975 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.580 -8.389 -0.214 1.00 0.00 H new ATOM 1551 N THR A 102 5.476 -6.720 2.390 1.00 0.00 N ATOM 1552 CA THR A 102 4.247 -6.746 3.156 1.00 0.00 C ATOM 1553 C THR A 102 4.448 -6.886 4.657 1.00 0.00 C ATOM 1554 O THR A 102 5.453 -7.411 5.133 1.00 0.00 O ATOM 1555 CB THR A 102 3.179 -7.741 2.647 1.00 0.00 C ATOM 1556 OG1 THR A 102 1.870 -7.201 2.901 1.00 0.00 O ATOM 1557 CG2 THR A 102 3.261 -9.074 3.381 1.00 0.00 C ATOM 0 H THR A 102 5.888 -5.787 2.363 1.00 0.00 H new ATOM 0 HA THR A 102 3.844 -5.749 2.977 1.00 0.00 H new ATOM 0 HB THR A 102 3.357 -7.896 1.583 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.190 -7.814 2.552 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.496 -9.748 2.997 1.00 0.00 H new ATOM 0 HG22 THR A 102 4.245 -9.516 3.225 1.00 0.00 H new ATOM 0 HG23 THR A 102 3.101 -8.913 4.447 1.00 0.00 H new ATOM 1661 N ASP A 111 12.682 -0.613 6.926 1.00 0.00 N ATOM 1662 CA ASP A 111 14.087 -0.525 6.456 1.00 0.00 C ATOM 1663 C ASP A 111 14.227 -0.966 5.022 1.00 0.00 C ATOM 1664 O ASP A 111 14.624 -0.182 4.152 1.00 0.00 O ATOM 1665 CB ASP A 111 15.071 -1.314 7.341 1.00 0.00 C ATOM 1666 CG ASP A 111 15.412 -0.610 8.622 1.00 0.00 C ATOM 1667 OD1 ASP A 111 16.349 0.221 8.620 1.00 0.00 O ATOM 1668 OD2 ASP A 111 14.763 -0.865 9.666 1.00 0.00 O ATOM 0 HA ASP A 111 14.350 0.530 6.530 1.00 0.00 H new ATOM 0 HB2 ASP A 111 14.640 -2.288 7.573 1.00 0.00 H new ATOM 0 HB3 ASP A 111 15.987 -1.497 6.780 1.00 0.00 H new ATOM 1673 N ALA A 112 13.833 -2.184 4.749 1.00 0.00 N ATOM 1674 CA ALA A 112 13.944 -2.742 3.410 1.00 0.00 C ATOM 1675 C ALA A 112 13.136 -1.921 2.414 1.00 0.00 C ATOM 1676 O ALA A 112 13.533 -1.737 1.268 1.00 0.00 O ATOM 1677 CB ALA A 112 13.492 -4.191 3.411 1.00 0.00 C ATOM 0 H ALA A 112 13.428 -2.819 5.437 1.00 0.00 H new ATOM 0 HA ALA A 112 14.989 -2.705 3.102 1.00 0.00 H new ATOM 0 HB1 ALA A 112 13.579 -4.600 2.404 1.00 0.00 H new ATOM 0 HB2 ALA A 112 14.119 -4.767 4.092 1.00 0.00 H new ATOM 0 HB3 ALA A 112 12.454 -4.248 3.738 1.00 0.00 H new ATOM 1683 N GLN A 113 12.049 -1.377 2.883 1.00 0.00 N ATOM 1684 CA GLN A 113 11.171 -0.602 2.054 1.00 0.00 C ATOM 1685 C GLN A 113 11.761 0.781 1.754 1.00 0.00 C ATOM 1686 O GLN A 113 11.749 1.192 0.646 1.00 0.00 O ATOM 1687 CB GLN A 113 9.836 -0.460 2.741 1.00 0.00 C ATOM 1688 CG GLN A 113 8.694 0.079 1.885 1.00 0.00 C ATOM 1689 CD GLN A 113 8.360 1.564 2.116 1.00 0.00 C ATOM 1690 OE1 GLN A 113 9.310 2.380 2.542 1.00 0.00 O flip ATOM 1691 NE2 GLN A 113 7.233 1.961 1.946 1.00 0.00 N flip ATOM 0 H GLN A 113 11.746 -1.459 3.854 1.00 0.00 H new ATOM 0 HA GLN A 113 11.044 -1.120 1.103 1.00 0.00 H new ATOM 0 HB2 GLN A 113 9.544 -1.436 3.128 1.00 0.00 H new ATOM 0 HB3 GLN A 113 9.961 0.199 3.600 1.00 0.00 H new ATOM 0 HG2 GLN A 113 8.948 -0.063 0.834 1.00 0.00 H new ATOM 0 HG3 GLN A 113 7.801 -0.515 2.080 1.00 0.00 H new ATOM 0 HE21 GLN A 113 6.511 1.320 1.617 1.00 0.00 H new ATOM 0 HE22 GLN A 113 7.003 2.937 2.131 1.00 0.00 H new ATOM 1700 N MET A 114 12.286 1.479 2.774 1.00 0.00 N ATOM 1701 CA MET A 114 12.785 2.869 2.680 1.00 0.00 C ATOM 1702 C MET A 114 13.995 2.944 1.807 1.00 0.00 C ATOM 1703 O MET A 114 14.338 3.992 1.260 1.00 0.00 O ATOM 1704 CB MET A 114 13.104 3.393 4.102 1.00 0.00 C ATOM 1705 CG MET A 114 13.761 4.767 4.156 1.00 0.00 C ATOM 1706 SD MET A 114 14.026 5.369 5.843 1.00 0.00 S ATOM 1707 CE MET A 114 12.342 5.434 6.479 1.00 0.00 C ATOM 0 H MET A 114 12.379 1.087 3.711 1.00 0.00 H new ATOM 0 HA MET A 114 12.014 3.494 2.229 1.00 0.00 H new ATOM 0 HB2 MET A 114 12.177 3.428 4.675 1.00 0.00 H new ATOM 0 HB3 MET A 114 13.758 2.676 4.598 1.00 0.00 H new ATOM 0 HG2 MET A 114 14.719 4.724 3.638 1.00 0.00 H new ATOM 0 HG3 MET A 114 13.139 5.481 3.617 1.00 0.00 H new ATOM 0 HE1 MET A 114 12.308 6.085 7.352 1.00 0.00 H new ATOM 0 HE2 MET A 114 11.677 5.825 5.709 1.00 0.00 H new ATOM 0 HE3 MET A 114 12.021 4.431 6.761 1.00 0.00 H new ATOM 1717 N GLN A 115 14.641 1.843 1.666 1.00 0.00 N ATOM 1718 CA GLN A 115 15.752 1.788 0.786 1.00 0.00 C ATOM 1719 C GLN A 115 15.316 1.597 -0.664 1.00 0.00 C ATOM 1720 O GLN A 115 16.125 1.728 -1.585 1.00 0.00 O ATOM 1721 CB GLN A 115 16.807 0.804 1.257 1.00 0.00 C ATOM 1722 CG GLN A 115 17.894 1.471 2.107 1.00 0.00 C ATOM 1723 CD GLN A 115 17.456 2.171 3.390 1.00 0.00 C ATOM 1724 OE1 GLN A 115 18.071 3.148 3.791 1.00 0.00 O ATOM 1725 NE2 GLN A 115 16.466 1.683 4.054 1.00 0.00 N ATOM 0 H GLN A 115 14.421 0.971 2.147 1.00 0.00 H new ATOM 0 HA GLN A 115 16.246 2.759 0.812 1.00 0.00 H new ATOM 0 HB2 GLN A 115 16.330 0.015 1.838 1.00 0.00 H new ATOM 0 HB3 GLN A 115 17.268 0.328 0.391 1.00 0.00 H new ATOM 0 HG2 GLN A 115 18.627 0.710 2.373 1.00 0.00 H new ATOM 0 HG3 GLN A 115 18.407 2.203 1.483 1.00 0.00 H new ATOM 0 HE21 GLN A 115 15.967 0.867 3.700 1.00 0.00 H new ATOM 0 HE22 GLN A 115 16.181 2.113 4.934 1.00 0.00 H new ATOM 1734 N TYR A 116 14.019 1.282 -0.830 1.00 0.00 N ATOM 1735 CA TYR A 116 13.287 1.217 -2.085 1.00 0.00 C ATOM 1736 C TYR A 116 13.953 0.453 -3.197 1.00 0.00 C ATOM 1737 O TYR A 116 14.731 1.009 -3.966 1.00 0.00 O ATOM 1738 CB TYR A 116 12.827 2.595 -2.580 1.00 0.00 C ATOM 1739 CG TYR A 116 11.819 3.251 -1.678 1.00 0.00 C ATOM 1740 CD1 TYR A 116 10.522 2.761 -1.585 1.00 0.00 C ATOM 1741 CD2 TYR A 116 12.161 4.342 -0.904 1.00 0.00 C ATOM 1742 CE1 TYR A 116 9.605 3.344 -0.742 1.00 0.00 C ATOM 1743 CE2 TYR A 116 11.248 4.929 -0.065 1.00 0.00 C ATOM 1744 CZ TYR A 116 9.978 4.429 0.015 1.00 0.00 C ATOM 1745 OH TYR A 116 9.078 5.012 0.856 1.00 0.00 O ATOM 0 H TYR A 116 13.426 1.053 -0.033 1.00 0.00 H new ATOM 0 HA TYR A 116 12.411 0.627 -1.816 1.00 0.00 H new ATOM 0 HB2 TYR A 116 13.696 3.246 -2.675 1.00 0.00 H new ATOM 0 HB3 TYR A 116 12.397 2.489 -3.576 1.00 0.00 H new ATOM 0 HD1 TYR A 116 10.230 1.910 -2.183 1.00 0.00 H new ATOM 0 HD2 TYR A 116 13.164 4.740 -0.960 1.00 0.00 H new ATOM 0 HE1 TYR A 116 8.601 2.953 -0.675 1.00 0.00 H new ATOM 0 HE2 TYR A 116 11.532 5.784 0.531 1.00 0.00 H new ATOM 0 HH TYR A 116 8.883 4.404 1.599 1.00 0.00 H new ATOM 1755 N ASP A 117 13.635 -0.800 -3.313 1.00 0.00 N ATOM 1756 CA ASP A 117 14.175 -1.585 -4.393 1.00 0.00 C ATOM 1757 C ASP A 117 13.059 -1.773 -5.422 1.00 0.00 C ATOM 1758 O ASP A 117 11.916 -2.058 -5.024 1.00 0.00 O ATOM 1759 CB ASP A 117 14.672 -2.935 -3.886 1.00 0.00 C ATOM 1760 CG ASP A 117 15.727 -3.512 -4.789 1.00 0.00 C ATOM 1761 OD1 ASP A 117 15.395 -4.214 -5.735 1.00 0.00 O ATOM 1762 OD2 ASP A 117 16.920 -3.263 -4.550 1.00 0.00 O ATOM 0 H ASP A 117 13.010 -1.302 -2.682 1.00 0.00 H new ATOM 0 HA ASP A 117 15.029 -1.077 -4.842 1.00 0.00 H new ATOM 0 HB2 ASP A 117 15.076 -2.820 -2.880 1.00 0.00 H new ATOM 0 HB3 ASP A 117 13.834 -3.628 -3.815 1.00 0.00 H new ATOM 1767 N PRO A 118 13.354 -1.625 -6.739 1.00 0.00 N ATOM 1768 CA PRO A 118 12.347 -1.642 -7.841 1.00 0.00 C ATOM 1769 C PRO A 118 11.412 -2.853 -7.842 1.00 0.00 C ATOM 1770 O PRO A 118 10.236 -2.726 -8.162 1.00 0.00 O ATOM 1771 CB PRO A 118 13.214 -1.650 -9.121 1.00 0.00 C ATOM 1772 CG PRO A 118 14.567 -2.043 -8.656 1.00 0.00 C ATOM 1773 CD PRO A 118 14.704 -1.431 -7.300 1.00 0.00 C ATOM 0 HA PRO A 118 11.672 -0.792 -7.743 1.00 0.00 H new ATOM 0 HB2 PRO A 118 12.828 -2.355 -9.857 1.00 0.00 H new ATOM 0 HB3 PRO A 118 13.228 -0.669 -9.596 1.00 0.00 H new ATOM 0 HG2 PRO A 118 14.669 -3.127 -8.612 1.00 0.00 H new ATOM 0 HG3 PRO A 118 15.339 -1.677 -9.334 1.00 0.00 H new ATOM 0 HD2 PRO A 118 15.469 -1.928 -6.703 1.00 0.00 H new ATOM 0 HD3 PRO A 118 14.976 -0.377 -7.354 1.00 0.00 H new ATOM 1781 N GLY A 119 11.893 -3.982 -7.366 1.00 0.00 N ATOM 1782 CA GLY A 119 11.102 -5.182 -7.463 1.00 0.00 C ATOM 1783 C GLY A 119 10.212 -5.308 -6.261 1.00 0.00 C ATOM 1784 O GLY A 119 9.097 -5.810 -6.341 1.00 0.00 O ATOM 0 H GLY A 119 12.804 -4.091 -6.920 1.00 0.00 H new ATOM 0 HA2 GLY A 119 10.500 -5.158 -8.371 1.00 0.00 H new ATOM 0 HA3 GLY A 119 11.754 -6.052 -7.536 1.00 0.00 H new ATOM 1788 N LEU A 120 10.675 -4.736 -5.166 1.00 0.00 N ATOM 1789 CA LEU A 120 9.976 -4.801 -3.917 1.00 0.00 C ATOM 1790 C LEU A 120 8.789 -3.861 -4.005 1.00 0.00 C ATOM 1791 O LEU A 120 7.649 -4.274 -3.832 1.00 0.00 O ATOM 1792 CB LEU A 120 10.903 -4.332 -2.795 1.00 0.00 C ATOM 1793 CG LEU A 120 10.318 -4.351 -1.388 1.00 0.00 C ATOM 1794 CD1 LEU A 120 9.923 -5.760 -0.983 1.00 0.00 C ATOM 1795 CD2 LEU A 120 11.308 -3.764 -0.406 1.00 0.00 C ATOM 0 H LEU A 120 11.550 -4.214 -5.128 1.00 0.00 H new ATOM 0 HA LEU A 120 9.649 -5.820 -3.711 1.00 0.00 H new ATOM 0 HB2 LEU A 120 11.795 -4.958 -2.804 1.00 0.00 H new ATOM 0 HB3 LEU A 120 11.225 -3.315 -3.019 1.00 0.00 H new ATOM 0 HG LEU A 120 9.416 -3.739 -1.379 1.00 0.00 H new ATOM 0 HD11 LEU A 120 9.508 -5.746 0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 120 9.175 -6.142 -1.678 1.00 0.00 H new ATOM 0 HD13 LEU A 120 10.802 -6.405 -1.005 1.00 0.00 H new ATOM 0 HD21 LEU A 120 10.880 -3.782 0.596 1.00 0.00 H new ATOM 0 HD22 LEU A 120 12.226 -4.352 -0.420 1.00 0.00 H new ATOM 0 HD23 LEU A 120 11.532 -2.735 -0.686 1.00 0.00 H new ATOM 1807 N PHE A 121 9.086 -2.594 -4.349 1.00 0.00 N ATOM 1808 CA PHE A 121 8.076 -1.548 -4.457 1.00 0.00 C ATOM 1809 C PHE A 121 6.986 -1.899 -5.474 1.00 0.00 C ATOM 1810 O PHE A 121 5.790 -1.788 -5.170 1.00 0.00 O ATOM 1811 CB PHE A 121 8.719 -0.185 -4.788 1.00 0.00 C ATOM 1812 CG PHE A 121 7.716 0.924 -4.958 1.00 0.00 C ATOM 1813 CD1 PHE A 121 6.975 1.383 -3.878 1.00 0.00 C ATOM 1814 CD2 PHE A 121 7.489 1.481 -6.205 1.00 0.00 C ATOM 1815 CE1 PHE A 121 6.036 2.380 -4.043 1.00 0.00 C ATOM 1816 CE2 PHE A 121 6.546 2.472 -6.376 1.00 0.00 C ATOM 1817 CZ PHE A 121 5.818 2.924 -5.295 1.00 0.00 C ATOM 0 H PHE A 121 10.033 -2.277 -4.557 1.00 0.00 H new ATOM 0 HA PHE A 121 7.594 -1.471 -3.482 1.00 0.00 H new ATOM 0 HB2 PHE A 121 9.414 0.083 -3.993 1.00 0.00 H new ATOM 0 HB3 PHE A 121 9.303 -0.280 -5.703 1.00 0.00 H new ATOM 0 HD1 PHE A 121 7.135 0.956 -2.899 1.00 0.00 H new ATOM 0 HD2 PHE A 121 8.058 1.135 -7.055 1.00 0.00 H new ATOM 0 HE1 PHE A 121 5.471 2.736 -3.194 1.00 0.00 H new ATOM 0 HE2 PHE A 121 6.377 2.894 -7.356 1.00 0.00 H new ATOM 0 HZ PHE A 121 5.080 3.701 -5.426 1.00 0.00 H new ATOM 1827 N ALA A 122 7.399 -2.340 -6.653 1.00 0.00 N ATOM 1828 CA ALA A 122 6.460 -2.696 -7.706 1.00 0.00 C ATOM 1829 C ALA A 122 5.476 -3.756 -7.236 1.00 0.00 C ATOM 1830 O ALA A 122 4.248 -3.571 -7.324 1.00 0.00 O ATOM 1831 CB ALA A 122 7.203 -3.188 -8.926 1.00 0.00 C ATOM 0 H ALA A 122 8.380 -2.460 -6.905 1.00 0.00 H new ATOM 0 HA ALA A 122 5.896 -1.800 -7.965 1.00 0.00 H new ATOM 0 HB1 ALA A 122 6.488 -3.451 -9.706 1.00 0.00 H new ATOM 0 HB2 ALA A 122 7.865 -2.402 -9.290 1.00 0.00 H new ATOM 0 HB3 ALA A 122 7.793 -4.066 -8.663 1.00 0.00 H new ATOM 1837 N GLN A 123 6.004 -4.831 -6.673 1.00 0.00 N ATOM 1838 CA GLN A 123 5.171 -5.932 -6.271 1.00 0.00 C ATOM 1839 C GLN A 123 4.308 -5.629 -5.038 1.00 0.00 C ATOM 1840 O GLN A 123 3.152 -6.058 -4.984 1.00 0.00 O ATOM 1841 CB GLN A 123 5.999 -7.185 -6.071 1.00 0.00 C ATOM 1842 CG GLN A 123 6.673 -7.683 -7.345 1.00 0.00 C ATOM 1843 CD GLN A 123 7.529 -8.915 -7.121 1.00 0.00 C ATOM 1844 OE1 GLN A 123 8.088 -9.108 -6.051 1.00 0.00 O ATOM 1845 NE2 GLN A 123 7.647 -9.751 -8.121 1.00 0.00 N ATOM 0 H GLN A 123 6.999 -4.956 -6.489 1.00 0.00 H new ATOM 0 HA GLN A 123 4.469 -6.101 -7.087 1.00 0.00 H new ATOM 0 HB2 GLN A 123 6.763 -6.989 -5.319 1.00 0.00 H new ATOM 0 HB3 GLN A 123 5.359 -7.974 -5.677 1.00 0.00 H new ATOM 0 HG2 GLN A 123 5.909 -7.909 -8.089 1.00 0.00 H new ATOM 0 HG3 GLN A 123 7.293 -6.887 -7.756 1.00 0.00 H new ATOM 0 HE21 GLN A 123 7.168 -9.563 -9.002 1.00 0.00 H new ATOM 0 HE22 GLN A 123 8.217 -10.590 -8.019 1.00 0.00 H new ATOM 1854 N ILE A 124 4.851 -4.889 -4.053 1.00 0.00 N ATOM 1855 CA ILE A 124 4.083 -4.570 -2.842 1.00 0.00 C ATOM 1856 C ILE A 124 2.818 -3.772 -3.154 1.00 0.00 C ATOM 1857 O ILE A 124 1.720 -4.148 -2.728 1.00 0.00 O ATOM 1858 CB ILE A 124 4.916 -3.826 -1.715 1.00 0.00 C ATOM 1859 CG1 ILE A 124 5.462 -2.465 -2.174 1.00 0.00 C ATOM 1860 CG2 ILE A 124 6.010 -4.709 -1.175 1.00 0.00 C ATOM 1861 CD1 ILE A 124 6.159 -1.669 -1.090 1.00 0.00 C ATOM 0 H ILE A 124 5.798 -4.510 -4.072 1.00 0.00 H new ATOM 0 HA ILE A 124 3.806 -5.545 -2.441 1.00 0.00 H new ATOM 0 HB ILE A 124 4.221 -3.614 -0.903 1.00 0.00 H new ATOM 0 HG12 ILE A 124 6.161 -2.626 -2.995 1.00 0.00 H new ATOM 0 HG13 ILE A 124 4.637 -1.872 -2.569 1.00 0.00 H new ATOM 0 HG21 ILE A 124 6.564 -4.172 -0.405 1.00 0.00 H new ATOM 0 HG22 ILE A 124 5.572 -5.610 -0.746 1.00 0.00 H new ATOM 0 HG23 ILE A 124 6.687 -4.985 -1.983 1.00 0.00 H new ATOM 0 HD11 ILE A 124 6.512 -0.724 -1.503 1.00 0.00 H new ATOM 0 HD12 ILE A 124 5.460 -1.472 -0.277 1.00 0.00 H new ATOM 0 HD13 ILE A 124 7.007 -2.238 -0.709 1.00 0.00 H new ATOM 1873 N GLN A 125 2.957 -2.720 -3.945 1.00 0.00 N ATOM 1874 CA GLN A 125 1.852 -1.827 -4.187 1.00 0.00 C ATOM 1875 C GLN A 125 0.834 -2.437 -5.145 1.00 0.00 C ATOM 1876 O GLN A 125 -0.375 -2.166 -5.038 1.00 0.00 O ATOM 1877 CB GLN A 125 2.371 -0.448 -4.633 1.00 0.00 C ATOM 1878 CG GLN A 125 3.017 -0.370 -6.020 1.00 0.00 C ATOM 1879 CD GLN A 125 2.029 -0.126 -7.155 1.00 0.00 C ATOM 1880 OE1 GLN A 125 1.050 0.699 -6.911 1.00 0.00 O flip ATOM 1881 NE2 GLN A 125 2.208 -0.600 -8.263 1.00 0.00 N flip ATOM 0 H GLN A 125 3.822 -2.470 -4.425 1.00 0.00 H new ATOM 0 HA GLN A 125 1.309 -1.673 -3.254 1.00 0.00 H new ATOM 0 HB2 GLN A 125 1.537 0.254 -4.606 1.00 0.00 H new ATOM 0 HB3 GLN A 125 3.100 -0.105 -3.899 1.00 0.00 H new ATOM 0 HG2 GLN A 125 3.758 0.430 -6.019 1.00 0.00 H new ATOM 0 HG3 GLN A 125 3.552 -1.300 -6.212 1.00 0.00 H new ATOM 0 HE21 GLN A 125 2.983 -1.243 -8.423 1.00 0.00 H new ATOM 0 HE22 GLN A 125 1.583 -0.354 -9.030 1.00 0.00 H new ATOM 1890 N ALA A 126 1.314 -3.283 -6.056 1.00 0.00 N ATOM 1891 CA ALA A 126 0.442 -3.968 -6.998 1.00 0.00 C ATOM 1892 C ALA A 126 -0.459 -4.944 -6.250 1.00 0.00 C ATOM 1893 O ALA A 126 -1.689 -4.926 -6.410 1.00 0.00 O ATOM 1894 CB ALA A 126 1.255 -4.691 -8.057 1.00 0.00 C ATOM 0 H ALA A 126 2.304 -3.508 -6.158 1.00 0.00 H new ATOM 0 HA ALA A 126 -0.180 -3.229 -7.502 1.00 0.00 H new ATOM 0 HB1 ALA A 126 0.582 -5.196 -8.750 1.00 0.00 H new ATOM 0 HB2 ALA A 126 1.864 -3.971 -8.603 1.00 0.00 H new ATOM 0 HB3 ALA A 126 1.903 -5.426 -7.579 1.00 0.00 H new ATOM 1900 N ALA A 127 0.154 -5.756 -5.390 1.00 0.00 N ATOM 1901 CA ALA A 127 -0.574 -6.737 -4.601 1.00 0.00 C ATOM 1902 C ALA A 127 -1.546 -6.047 -3.660 1.00 0.00 C ATOM 1903 O ALA A 127 -2.661 -6.543 -3.419 1.00 0.00 O ATOM 1904 CB ALA A 127 0.390 -7.626 -3.823 1.00 0.00 C ATOM 0 H ALA A 127 1.160 -5.750 -5.224 1.00 0.00 H new ATOM 0 HA ALA A 127 -1.145 -7.369 -5.281 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -0.175 -8.353 -3.240 1.00 0.00 H new ATOM 0 HB2 ALA A 127 1.044 -8.150 -4.520 1.00 0.00 H new ATOM 0 HB3 ALA A 127 0.991 -7.012 -3.153 1.00 0.00 H new ATOM 1910 N ALA A 128 -1.133 -4.878 -3.174 1.00 0.00 N ATOM 1911 CA ALA A 128 -1.934 -4.102 -2.291 1.00 0.00 C ATOM 1912 C ALA A 128 -3.226 -3.675 -2.969 1.00 0.00 C ATOM 1913 O ALA A 128 -4.262 -4.098 -2.562 1.00 0.00 O ATOM 1914 CB ALA A 128 -1.165 -2.900 -1.765 1.00 0.00 C ATOM 0 H ALA A 128 -0.229 -4.460 -3.395 1.00 0.00 H new ATOM 0 HA ALA A 128 -2.194 -4.726 -1.436 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -1.803 -2.326 -1.093 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -0.282 -3.241 -1.224 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -0.858 -2.270 -2.600 1.00 0.00 H new ATOM 1920 N THR A 129 -3.161 -2.907 -4.042 1.00 0.00 N ATOM 1921 CA THR A 129 -4.417 -2.458 -4.694 1.00 0.00 C ATOM 1922 C THR A 129 -5.328 -3.645 -5.155 1.00 0.00 C ATOM 1923 O THR A 129 -6.616 -3.581 -5.033 1.00 0.00 O ATOM 1924 CB THR A 129 -4.184 -1.429 -5.861 1.00 0.00 C ATOM 1925 OG1 THR A 129 -5.419 -1.161 -6.550 1.00 0.00 O ATOM 1926 CG2 THR A 129 -3.109 -1.891 -6.856 1.00 0.00 C ATOM 0 H THR A 129 -2.299 -2.582 -4.480 1.00 0.00 H new ATOM 0 HA THR A 129 -4.957 -1.925 -3.911 1.00 0.00 H new ATOM 0 HB THR A 129 -3.818 -0.511 -5.401 1.00 0.00 H new ATOM 0 HG1 THR A 129 -5.711 -0.247 -6.354 1.00 0.00 H new ATOM 0 HG21 THR A 129 -2.992 -1.142 -7.639 1.00 0.00 H new ATOM 0 HG22 THR A 129 -2.161 -2.021 -6.333 1.00 0.00 H new ATOM 0 HG23 THR A 129 -3.410 -2.838 -7.303 1.00 0.00 H new ATOM 1934 N LYS A 130 -4.674 -4.771 -5.518 1.00 0.00 N ATOM 1935 CA LYS A 130 -5.370 -5.921 -6.082 1.00 0.00 C ATOM 1936 C LYS A 130 -6.280 -6.478 -5.039 1.00 0.00 C ATOM 1937 O LYS A 130 -7.342 -6.967 -5.334 1.00 0.00 O ATOM 1938 CB LYS A 130 -4.397 -7.012 -6.571 1.00 0.00 C ATOM 1939 CG LYS A 130 -5.109 -8.210 -7.217 1.00 0.00 C ATOM 1940 CD LYS A 130 -4.139 -9.280 -7.684 1.00 0.00 C ATOM 1941 CE LYS A 130 -4.898 -10.509 -8.169 1.00 0.00 C ATOM 1942 NZ LYS A 130 -4.004 -11.616 -8.543 1.00 0.00 N ATOM 0 H LYS A 130 -3.666 -4.896 -5.426 1.00 0.00 H new ATOM 0 HA LYS A 130 -5.935 -5.590 -6.953 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -3.705 -6.576 -7.292 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -3.801 -7.363 -5.729 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -5.806 -8.644 -6.500 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -5.699 -7.864 -8.066 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -3.516 -8.889 -8.488 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -3.471 -9.556 -6.868 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -5.577 -10.845 -7.385 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -5.512 -10.237 -9.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -4.571 -12.426 -8.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -3.372 -11.308 -9.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -3.436 -11.897 -7.718 1.00 0.00 H new ATOM 1956 N ALA A 131 -5.827 -6.366 -3.824 1.00 0.00 N ATOM 1957 CA ALA A 131 -6.518 -6.699 -2.635 1.00 0.00 C ATOM 1958 C ALA A 131 -7.490 -5.603 -2.304 1.00 0.00 C ATOM 1959 O ALA A 131 -8.689 -5.850 -2.271 1.00 0.00 O ATOM 1960 CB ALA A 131 -5.458 -6.819 -1.596 1.00 0.00 C ATOM 0 H ALA A 131 -4.890 -6.010 -3.636 1.00 0.00 H new ATOM 0 HA ALA A 131 -7.094 -7.621 -2.716 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -5.913 -7.076 -0.640 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -4.753 -7.599 -1.884 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -4.931 -5.870 -1.503 1.00 0.00 H new ATOM 1966 N TRP A 132 -6.987 -4.376 -2.213 1.00 0.00 N ATOM 1967 CA TRP A 132 -7.727 -3.188 -1.759 1.00 0.00 C ATOM 1968 C TRP A 132 -8.783 -2.693 -2.785 1.00 0.00 C ATOM 1969 O TRP A 132 -9.056 -1.513 -2.903 1.00 0.00 O ATOM 1970 CB TRP A 132 -6.777 -2.035 -1.362 1.00 0.00 C ATOM 1971 CG TRP A 132 -5.871 -2.392 -0.222 1.00 0.00 C ATOM 1972 CD1 TRP A 132 -5.374 -3.595 -0.009 1.00 0.00 C ATOM 1973 CD2 TRP A 132 -5.382 -1.585 0.859 1.00 0.00 C ATOM 1974 NE1 TRP A 132 -4.540 -3.615 0.982 1.00 0.00 N ATOM 1975 CE2 TRP A 132 -4.518 -2.414 1.576 1.00 0.00 C ATOM 1976 CE3 TRP A 132 -5.536 -0.255 1.287 1.00 0.00 C ATOM 1977 CZ2 TRP A 132 -3.828 -1.989 2.665 1.00 0.00 C ATOM 1978 CZ3 TRP A 132 -4.851 0.139 2.383 1.00 0.00 C ATOM 1979 CH2 TRP A 132 -4.004 -0.726 3.044 1.00 0.00 C ATOM 0 H TRP A 132 -6.020 -4.167 -2.460 1.00 0.00 H new ATOM 0 HA TRP A 132 -8.272 -3.509 -0.871 1.00 0.00 H new ATOM 0 HB2 TRP A 132 -6.173 -1.755 -2.225 1.00 0.00 H new ATOM 0 HB3 TRP A 132 -7.369 -1.161 -1.089 1.00 0.00 H new ATOM 0 HD1 TRP A 132 -5.633 -4.465 -0.594 1.00 0.00 H new ATOM 0 HE1 TRP A 132 -3.985 -4.422 1.267 1.00 0.00 H new ATOM 0 HE3 TRP A 132 -6.181 0.430 0.757 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 -3.163 -2.649 3.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 -4.969 1.149 2.748 1.00 0.00 H new ATOM 0 HH2 TRP A 132 -3.461 -0.363 3.904 1.00 0.00 H new ATOM 1990 N ARG A 133 -9.286 -3.583 -3.565 1.00 0.00 N ATOM 1991 CA ARG A 133 -10.413 -3.297 -4.428 1.00 0.00 C ATOM 1992 C ARG A 133 -11.831 -4.033 -4.219 1.00 0.00 C ATOM 1993 O ARG A 133 -12.856 -3.361 -4.225 1.00 0.00 O ATOM 1994 CB ARG A 133 -9.959 -3.205 -5.900 1.00 0.00 C ATOM 1995 CG ARG A 133 -11.065 -3.150 -6.935 1.00 0.00 C ATOM 1996 CD ARG A 133 -11.650 -4.514 -7.192 1.00 0.00 C ATOM 1997 NE ARG A 133 -13.122 -4.494 -7.319 1.00 0.00 N ATOM 1998 CZ ARG A 133 -13.822 -5.413 -8.003 1.00 0.00 C ATOM 1999 NH1 ARG A 133 -13.200 -6.276 -8.813 1.00 0.00 N ATOM 2000 NH2 ARG A 133 -15.125 -5.480 -7.862 1.00 0.00 N ATOM 0 H ARG A 133 -8.937 -4.539 -3.634 1.00 0.00 H new ATOM 0 HA ARG A 133 -10.728 -2.323 -4.054 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -9.338 -2.316 -6.013 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -9.326 -4.065 -6.119 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -11.850 -2.475 -6.594 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -10.673 -2.740 -7.866 1.00 0.00 H new ATOM 0 HD2 ARG A 133 -11.217 -4.923 -8.105 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -11.370 -5.183 -6.379 1.00 0.00 H new ATOM 0 HE ARG A 133 -13.635 -3.740 -6.862 1.00 0.00 H new ATOM 0 HH11 ARG A 133 -12.186 -6.239 -8.915 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -13.740 -6.971 -9.329 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -15.604 -4.835 -7.234 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -15.659 -6.177 -8.381 1.00 0.00 H new ATOM 2014 N LYS A 134 -11.870 -5.373 -4.033 1.00 0.00 N ATOM 2015 CA LYS A 134 -13.129 -6.202 -4.404 1.00 0.00 C ATOM 2016 C LYS A 134 -14.497 -5.906 -3.772 1.00 0.00 C ATOM 2017 O LYS A 134 -15.501 -6.166 -4.441 1.00 0.00 O ATOM 2018 CB LYS A 134 -12.954 -7.724 -4.333 1.00 0.00 C ATOM 2019 CG LYS A 134 -11.648 -8.222 -4.797 1.00 0.00 C ATOM 2020 CD LYS A 134 -10.792 -8.481 -3.606 1.00 0.00 C ATOM 2021 CE LYS A 134 -9.386 -8.327 -3.950 1.00 0.00 C ATOM 2022 NZ LYS A 134 -8.920 -9.267 -4.986 1.00 0.00 N ATOM 0 H LYS A 134 -11.100 -5.920 -3.648 1.00 0.00 H new ATOM 0 HA LYS A 134 -13.179 -5.814 -5.421 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -13.103 -8.044 -3.302 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -13.737 -8.193 -4.928 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -11.775 -9.135 -5.378 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -11.175 -7.491 -5.452 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -11.055 -7.791 -2.804 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -10.973 -9.489 -3.232 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -9.216 -7.307 -4.295 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -8.785 -8.464 -3.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -8.402 -10.049 -4.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -9.738 -9.646 -5.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -8.290 -8.770 -5.648 1.00 0.00 H new ATOM 2036 N LEU A 135 -14.585 -5.425 -2.542 1.00 0.00 N ATOM 2037 CA LEU A 135 -15.932 -5.391 -1.893 1.00 0.00 C ATOM 2038 C LEU A 135 -16.988 -4.516 -2.614 1.00 0.00 C ATOM 2039 O LEU A 135 -16.629 -3.605 -3.344 1.00 0.00 O ATOM 2040 CB LEU A 135 -15.968 -5.339 -0.303 1.00 0.00 C ATOM 2041 CG LEU A 135 -15.149 -4.310 0.492 1.00 0.00 C ATOM 2042 CD1 LEU A 135 -13.685 -4.619 0.448 1.00 0.00 C ATOM 2043 CD2 LEU A 135 -15.399 -2.921 0.038 1.00 0.00 C ATOM 0 H LEU A 135 -13.809 -5.069 -1.984 1.00 0.00 H new ATOM 0 HA LEU A 135 -16.280 -6.409 -2.070 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -17.010 -5.202 -0.015 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -15.666 -6.324 0.052 1.00 0.00 H new ATOM 0 HG LEU A 135 -15.484 -4.384 1.527 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -13.138 -3.870 1.021 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -13.508 -5.605 0.877 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -13.341 -4.607 -0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -14.798 -2.231 0.630 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -15.129 -2.828 -1.014 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -16.455 -2.682 0.164 1.00 0.00 H new ATOM 2055 N PRO A 136 -18.304 -4.851 -2.502 1.00 0.00 N ATOM 2056 CA PRO A 136 -19.366 -4.130 -3.225 1.00 0.00 C ATOM 2057 C PRO A 136 -19.472 -2.637 -2.869 1.00 0.00 C ATOM 2058 O PRO A 136 -18.856 -2.156 -1.884 1.00 0.00 O ATOM 2059 CB PRO A 136 -20.647 -4.876 -2.836 1.00 0.00 C ATOM 2060 CG PRO A 136 -20.173 -6.210 -2.382 1.00 0.00 C ATOM 2061 CD PRO A 136 -18.866 -5.962 -1.706 1.00 0.00 C ATOM 0 HA PRO A 136 -19.164 -4.124 -4.296 1.00 0.00 H new ATOM 0 HB2 PRO A 136 -21.186 -4.355 -2.045 1.00 0.00 H new ATOM 0 HB3 PRO A 136 -21.329 -4.963 -3.682 1.00 0.00 H new ATOM 0 HG2 PRO A 136 -20.887 -6.668 -1.698 1.00 0.00 H new ATOM 0 HG3 PRO A 136 -20.056 -6.892 -3.224 1.00 0.00 H new ATOM 0 HD2 PRO A 136 -18.996 -5.687 -0.659 1.00 0.00 H new ATOM 0 HD3 PRO A 136 -18.224 -6.843 -1.727 1.00 0.00 H new