USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=29 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 114 MET CE :methyl 149:sc= -0.365 (180deg=-0.459) USER MOD Set 1.2: A 115 GLN :FLIP amide:sc= -0.837 F(o=-2.3,f=-1.2) USER MOD Set 2.1: A 89 ASN : amide:sc= 0.475 K(o=1.5,f=-0.86) USER MOD Set 2.2: A 94 ASN : amide:sc= 1.06 K(o=1.5,f=-0.86) USER MOD Set 3.1: A 82 CYS SG : rot -82:sc= 1.48 USER MOD Set 3.2: A 102 THR OG1 : rot 67:sc= 1.5 USER MOD Set 4.1: A 59 ASN : amide:sc= 1 K(o=3.3,f=-6.7!) USER MOD Set 4.2: A 75 LYS NZ :NH3+ 157:sc= 2.33 (180deg=0.576) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -1.26 X(o=-1.3,f=-1.3) USER MOD Single : A 17 ASN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 137:sc= -0.0208 (180deg=-0.252) USER MOD Single : A 29 THR OG1 : rot 65:sc= 1.27 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN :FLIP amide:sc= -0.116 F(o=-1.7!,f=-0.12) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.454 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 71:sc= 0.683 USER MOD Single : A 51 ASN : amide:sc= -0.82 K(o=-0.82,f=-2.1) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.131 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 86:sc= 0.899 USER MOD Single : A 67 SER OG : rot -6:sc= 0.824 USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot -78:sc= 1.22 USER MOD Single : A 81 ASN : amide:sc= -0.0439 K(o=-0.044,f=-0.69) USER MOD Single : A 85 THR OG1 : rot 95:sc= 1.18 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN :FLIP amide:sc= -2! C(o=-3.6!,f=-2!) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN :FLIP amide:sc= -1.76 F(o=-3.8!,f=-1.8) USER MOD Single : A 116 TYR OH : rot 180:sc= 0.254 USER MOD Single : A 123 GLN : amide:sc= -0.0254 X(o=-0.025,f=-0.27) USER MOD Single : A 125 GLN :FLIP amide:sc= -2.07 F(o=-2.6!,f=-2.1) USER MOD Single : A 129 THR OG1 : rot -74:sc= 0.269 USER MOD Single : A 130 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0116) USER MOD Single : A 134 LYS NZ :NH3+ 171:sc= -0.436 (180deg=-0.603) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 3.408 8.361 3.304 1.00 0.00 N ATOM 2 CA PRO A 1 3.932 8.563 1.974 1.00 0.00 C ATOM 3 C PRO A 1 5.366 9.071 2.056 1.00 0.00 C ATOM 4 O PRO A 1 5.724 9.800 2.975 1.00 0.00 O ATOM 5 CB PRO A 1 3.080 9.597 1.274 1.00 0.00 C ATOM 6 CG PRO A 1 1.975 9.857 2.244 1.00 0.00 C ATOM 7 CD PRO A 1 2.495 9.436 3.610 1.00 0.00 C ATOM 0 H2 PRO A 1 4.168 8.338 3.984 1.00 0.00 H new ATOM 0 H3 PRO A 1 2.929 7.463 3.363 1.00 0.00 H new ATOM 0 HA PRO A 1 3.916 7.622 1.425 1.00 0.00 H new ATOM 0 HB2 PRO A 1 3.646 10.503 1.059 1.00 0.00 H new ATOM 0 HB3 PRO A 1 2.699 9.225 0.323 1.00 0.00 H new ATOM 0 HG2 PRO A 1 1.697 10.911 2.242 1.00 0.00 H new ATOM 0 HG3 PRO A 1 1.083 9.291 1.977 1.00 0.00 H new ATOM 0 HD2 PRO A 1 2.998 10.258 4.119 1.00 0.00 H new ATOM 0 HD3 PRO A 1 1.687 9.104 4.262 1.00 0.00 H new ATOM 17 N VAL A 2 6.173 8.664 1.125 1.00 0.00 N ATOM 18 CA VAL A 2 7.551 9.061 1.036 1.00 0.00 C ATOM 19 C VAL A 2 7.820 9.662 -0.349 1.00 0.00 C ATOM 20 O VAL A 2 7.289 9.185 -1.376 1.00 0.00 O ATOM 21 CB VAL A 2 8.527 7.846 1.306 1.00 0.00 C ATOM 22 CG1 VAL A 2 9.971 8.243 1.120 1.00 0.00 C ATOM 23 CG2 VAL A 2 8.323 7.232 2.712 1.00 0.00 C ATOM 0 H VAL A 2 5.885 8.027 0.382 1.00 0.00 H new ATOM 0 HA VAL A 2 7.742 9.809 1.805 1.00 0.00 H new ATOM 0 HB VAL A 2 8.277 7.084 0.568 1.00 0.00 H new ATOM 0 HG11 VAL A 2 10.613 7.383 1.314 1.00 0.00 H new ATOM 0 HG12 VAL A 2 10.125 8.587 0.097 1.00 0.00 H new ATOM 0 HG13 VAL A 2 10.220 9.045 1.814 1.00 0.00 H new ATOM 0 HG21 VAL A 2 9.015 6.402 2.850 1.00 0.00 H new ATOM 0 HG22 VAL A 2 8.511 7.991 3.471 1.00 0.00 H new ATOM 0 HG23 VAL A 2 7.299 6.870 2.806 1.00 0.00 H new ATOM 33 N THR A 3 8.605 10.718 -0.365 1.00 0.00 N ATOM 34 CA THR A 3 8.993 11.365 -1.579 1.00 0.00 C ATOM 35 C THR A 3 10.486 11.145 -1.775 1.00 0.00 C ATOM 36 O THR A 3 11.226 11.066 -0.819 1.00 0.00 O ATOM 37 CB THR A 3 8.623 12.887 -1.590 1.00 0.00 C ATOM 38 OG1 THR A 3 8.974 13.482 -2.850 1.00 0.00 O ATOM 39 CG2 THR A 3 9.305 13.653 -0.461 1.00 0.00 C ATOM 0 H THR A 3 8.990 11.147 0.476 1.00 0.00 H new ATOM 0 HA THR A 3 8.441 10.928 -2.411 1.00 0.00 H new ATOM 0 HB THR A 3 7.545 12.951 -1.439 1.00 0.00 H new ATOM 0 HG1 THR A 3 8.735 14.432 -2.841 1.00 0.00 H new ATOM 0 HG21 THR A 3 9.019 14.704 -0.509 1.00 0.00 H new ATOM 0 HG22 THR A 3 8.998 13.237 0.498 1.00 0.00 H new ATOM 0 HG23 THR A 3 10.387 13.567 -0.564 1.00 0.00 H new ATOM 228 N HIS A 16 10.483 11.618 4.333 1.00 0.00 N ATOM 229 CA HIS A 16 9.361 10.875 4.845 1.00 0.00 C ATOM 230 C HIS A 16 8.254 11.857 5.156 1.00 0.00 C ATOM 231 O HIS A 16 8.446 12.804 5.943 1.00 0.00 O ATOM 232 CB HIS A 16 9.777 10.130 6.134 1.00 0.00 C ATOM 233 CG HIS A 16 11.099 9.373 6.033 1.00 0.00 C ATOM 234 ND1 HIS A 16 12.281 9.852 6.561 1.00 0.00 N ATOM 235 CD2 HIS A 16 11.411 8.191 5.468 1.00 0.00 C ATOM 236 CE1 HIS A 16 13.259 8.998 6.323 1.00 0.00 C ATOM 237 NE2 HIS A 16 12.761 7.984 5.662 1.00 0.00 N ATOM 0 HA HIS A 16 9.022 10.143 4.112 1.00 0.00 H new ATOM 0 HB2 HIS A 16 9.848 10.852 6.948 1.00 0.00 H new ATOM 0 HB3 HIS A 16 8.989 9.425 6.401 1.00 0.00 H new ATOM 0 HD2 HIS A 16 10.729 7.527 4.957 1.00 0.00 H new ATOM 0 HE1 HIS A 16 14.290 9.115 6.622 1.00 0.00 H new ATOM 0 HE2 HIS A 16 13.287 7.171 5.342 1.00 0.00 H new ATOM 246 N ASN A 17 7.144 11.689 4.517 1.00 0.00 N ATOM 247 CA ASN A 17 6.016 12.571 4.708 1.00 0.00 C ATOM 248 C ASN A 17 5.009 11.925 5.615 1.00 0.00 C ATOM 249 O ASN A 17 4.961 10.704 5.727 1.00 0.00 O ATOM 250 CB ASN A 17 5.352 12.920 3.352 1.00 0.00 C ATOM 251 CG ASN A 17 6.257 13.640 2.364 1.00 0.00 C ATOM 252 OD1 ASN A 17 7.222 14.386 2.843 1.00 0.00 O flip ATOM 253 ND2 ASN A 17 6.070 13.526 1.153 1.00 0.00 N flip ATOM 0 H ASN A 17 6.983 10.939 3.845 1.00 0.00 H new ATOM 0 HA ASN A 17 6.376 13.493 5.164 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.995 11.999 2.891 1.00 0.00 H new ATOM 0 HB3 ASN A 17 4.477 13.542 3.541 1.00 0.00 H new ATOM 0 HD21 ASN A 17 5.311 12.939 0.807 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.674 14.019 0.495 1.00 0.00 H new ATOM 260 N GLY A 18 4.230 12.724 6.277 1.00 0.00 N ATOM 261 CA GLY A 18 3.200 12.199 7.091 1.00 0.00 C ATOM 262 C GLY A 18 2.003 11.894 6.240 1.00 0.00 C ATOM 263 O GLY A 18 2.007 12.204 5.029 1.00 0.00 O ATOM 0 H GLY A 18 4.295 13.742 6.264 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.543 11.295 7.594 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.935 12.915 7.869 1.00 0.00 H new ATOM 267 N PHE A 19 1.006 11.292 6.833 1.00 0.00 N ATOM 268 CA PHE A 19 -0.215 10.949 6.131 1.00 0.00 C ATOM 269 C PHE A 19 -0.835 12.204 5.608 1.00 0.00 C ATOM 270 O PHE A 19 -1.270 13.056 6.391 1.00 0.00 O ATOM 271 CB PHE A 19 -1.206 10.209 7.044 1.00 0.00 C ATOM 272 CG PHE A 19 -0.704 8.876 7.513 1.00 0.00 C ATOM 273 CD1 PHE A 19 0.093 8.788 8.641 1.00 0.00 C ATOM 274 CD2 PHE A 19 -1.007 7.715 6.819 1.00 0.00 C ATOM 275 CE1 PHE A 19 0.587 7.573 9.070 1.00 0.00 C ATOM 276 CE2 PHE A 19 -0.511 6.501 7.240 1.00 0.00 C ATOM 277 CZ PHE A 19 0.283 6.431 8.371 1.00 0.00 C ATOM 0 H PHE A 19 1.012 11.023 7.817 1.00 0.00 H new ATOM 0 HA PHE A 19 0.030 10.277 5.309 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.424 10.832 7.911 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.145 10.067 6.509 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.332 9.684 9.194 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.636 7.763 5.942 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.210 7.521 9.951 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.742 5.603 6.687 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.664 5.477 8.704 1.00 0.00 H new ATOM 287 N ASP A 20 -0.844 12.336 4.307 1.00 0.00 N ATOM 288 CA ASP A 20 -1.349 13.524 3.650 1.00 0.00 C ATOM 289 C ASP A 20 -2.831 13.531 3.810 1.00 0.00 C ATOM 290 O ASP A 20 -3.500 12.555 3.417 1.00 0.00 O ATOM 291 CB ASP A 20 -1.014 13.466 2.165 1.00 0.00 C ATOM 292 CG ASP A 20 -1.337 14.750 1.441 1.00 0.00 C ATOM 293 OD1 ASP A 20 -2.512 14.995 1.129 1.00 0.00 O ATOM 294 OD2 ASP A 20 -0.406 15.543 1.160 1.00 0.00 O ATOM 0 H ASP A 20 -0.500 11.621 3.666 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.903 14.419 4.084 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.046 13.244 2.045 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -1.566 12.646 1.705 1.00 0.00 H new ATOM 299 N PHE A 21 -3.358 14.606 4.351 1.00 0.00 N ATOM 300 CA PHE A 21 -4.746 14.640 4.692 1.00 0.00 C ATOM 301 C PHE A 21 -5.623 14.639 3.470 1.00 0.00 C ATOM 302 O PHE A 21 -6.632 13.989 3.468 1.00 0.00 O ATOM 303 CB PHE A 21 -5.098 15.818 5.580 1.00 0.00 C ATOM 304 CG PHE A 21 -6.441 15.663 6.225 1.00 0.00 C ATOM 305 CD1 PHE A 21 -6.622 14.737 7.244 1.00 0.00 C ATOM 306 CD2 PHE A 21 -7.517 16.423 5.811 1.00 0.00 C ATOM 307 CE1 PHE A 21 -7.851 14.572 7.839 1.00 0.00 C ATOM 308 CE2 PHE A 21 -8.759 16.263 6.401 1.00 0.00 C ATOM 309 CZ PHE A 21 -8.926 15.330 7.422 1.00 0.00 C ATOM 0 H PHE A 21 -2.842 15.461 4.560 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.935 13.727 5.257 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.337 15.928 6.353 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.085 16.733 4.988 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.786 14.138 7.574 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -7.389 17.148 5.021 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -7.975 13.850 8.632 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -9.596 16.860 6.071 1.00 0.00 H new ATOM 0 HZ PHE A 21 -9.893 15.200 7.885 1.00 0.00 H new ATOM 319 N ALA A 22 -5.226 15.367 2.442 1.00 0.00 N ATOM 320 CA ALA A 22 -5.973 15.446 1.199 1.00 0.00 C ATOM 321 C ALA A 22 -6.138 14.064 0.575 1.00 0.00 C ATOM 322 O ALA A 22 -7.220 13.708 0.103 1.00 0.00 O ATOM 323 CB ALA A 22 -5.275 16.373 0.236 1.00 0.00 C ATOM 0 H ALA A 22 -4.371 15.923 2.446 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.965 15.841 1.418 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.842 16.426 -0.693 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.204 17.368 0.675 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.274 15.996 0.029 1.00 0.00 H new ATOM 329 N VAL A 23 -5.069 13.295 0.599 1.00 0.00 N ATOM 330 CA VAL A 23 -5.083 11.922 0.095 1.00 0.00 C ATOM 331 C VAL A 23 -6.102 11.080 0.885 1.00 0.00 C ATOM 332 O VAL A 23 -7.008 10.475 0.287 1.00 0.00 O ATOM 333 CB VAL A 23 -3.652 11.285 0.146 1.00 0.00 C ATOM 334 CG1 VAL A 23 -3.649 9.809 -0.243 1.00 0.00 C ATOM 335 CG2 VAL A 23 -2.726 12.045 -0.781 1.00 0.00 C ATOM 0 H VAL A 23 -4.166 13.595 0.965 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.390 11.939 -0.951 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.308 11.352 1.178 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.632 9.421 -0.190 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.287 9.251 0.442 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.026 9.700 -1.260 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.731 11.602 -0.745 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.109 11.994 -1.800 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.670 13.087 -0.466 1.00 0.00 H new ATOM 345 N ILE A 24 -5.936 11.067 2.212 1.00 0.00 N ATOM 346 CA ILE A 24 -6.878 10.370 3.123 1.00 0.00 C ATOM 347 C ILE A 24 -8.323 10.804 2.805 1.00 0.00 C ATOM 348 O ILE A 24 -9.207 9.989 2.555 1.00 0.00 O ATOM 349 CB ILE A 24 -6.583 10.739 4.618 1.00 0.00 C ATOM 350 CG1 ILE A 24 -5.147 10.352 5.021 1.00 0.00 C ATOM 351 CG2 ILE A 24 -7.602 10.101 5.577 1.00 0.00 C ATOM 352 CD1 ILE A 24 -4.854 8.865 5.030 1.00 0.00 C ATOM 0 H ILE A 24 -5.161 11.528 2.688 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.754 9.297 2.978 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.681 11.822 4.700 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.452 10.838 4.336 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.947 10.751 6.015 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -7.362 10.382 6.602 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.604 10.452 5.330 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -7.564 9.016 5.479 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.818 8.700 5.327 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.518 8.368 5.737 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.015 8.456 4.032 1.00 0.00 H new ATOM 364 N LYS A 25 -8.489 12.100 2.760 1.00 0.00 N ATOM 365 CA LYS A 25 -9.736 12.791 2.544 1.00 0.00 C ATOM 366 C LYS A 25 -10.432 12.368 1.246 1.00 0.00 C ATOM 367 O LYS A 25 -11.588 11.991 1.283 1.00 0.00 O ATOM 368 CB LYS A 25 -9.429 14.270 2.503 1.00 0.00 C ATOM 369 CG LYS A 25 -10.603 15.177 2.367 1.00 0.00 C ATOM 370 CD LYS A 25 -10.153 16.562 1.971 1.00 0.00 C ATOM 371 CE LYS A 25 -9.720 16.598 0.510 1.00 0.00 C ATOM 372 NZ LYS A 25 -9.521 17.970 0.033 1.00 0.00 N ATOM 0 H LYS A 25 -7.707 12.744 2.881 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.422 12.541 3.353 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.894 14.535 3.415 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.752 14.457 1.670 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.291 14.783 1.619 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.149 15.220 3.310 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.965 17.272 2.131 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.325 16.875 2.607 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.794 16.035 0.392 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.474 16.106 -0.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.227 17.952 -0.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.411 18.501 0.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -8.784 18.432 0.603 1.00 0.00 H new ATOM 386 N GLU A 26 -9.723 12.425 0.122 1.00 0.00 N ATOM 387 CA GLU A 26 -10.304 12.103 -1.193 1.00 0.00 C ATOM 388 C GLU A 26 -10.777 10.656 -1.257 1.00 0.00 C ATOM 389 O GLU A 26 -11.904 10.370 -1.695 1.00 0.00 O ATOM 390 CB GLU A 26 -9.300 12.388 -2.319 1.00 0.00 C ATOM 391 CG GLU A 26 -8.980 13.863 -2.495 1.00 0.00 C ATOM 392 CD GLU A 26 -10.152 14.659 -3.008 1.00 0.00 C ATOM 393 OE1 GLU A 26 -10.963 15.177 -2.200 1.00 0.00 O ATOM 394 OE2 GLU A 26 -10.299 14.778 -4.242 1.00 0.00 O ATOM 0 H GLU A 26 -8.739 12.692 0.088 1.00 0.00 H new ATOM 0 HA GLU A 26 -11.173 12.746 -1.331 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.376 11.847 -2.115 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -9.698 11.998 -3.256 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.657 14.276 -1.540 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.144 13.969 -3.187 1.00 0.00 H new ATOM 401 N LEU A 27 -9.949 9.752 -0.794 1.00 0.00 N ATOM 402 CA LEU A 27 -10.305 8.350 -0.838 1.00 0.00 C ATOM 403 C LEU A 27 -11.409 8.036 0.208 1.00 0.00 C ATOM 404 O LEU A 27 -12.231 7.164 -0.003 1.00 0.00 O ATOM 405 CB LEU A 27 -9.042 7.477 -0.682 1.00 0.00 C ATOM 406 CG LEU A 27 -9.165 5.971 -1.004 1.00 0.00 C ATOM 407 CD1 LEU A 27 -9.867 5.765 -2.337 1.00 0.00 C ATOM 408 CD2 LEU A 27 -7.770 5.354 -1.068 1.00 0.00 C ATOM 0 H LEU A 27 -9.036 9.954 -0.387 1.00 0.00 H new ATOM 0 HA LEU A 27 -10.732 8.107 -1.811 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.265 7.894 -1.322 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.693 7.573 0.346 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.752 5.491 -0.221 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.944 4.698 -2.547 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.866 6.199 -2.293 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.295 6.250 -3.128 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.852 4.291 -1.295 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.189 5.848 -1.847 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.271 5.482 -0.107 1.00 0.00 H new ATOM 420 N LYS A 28 -11.443 8.796 1.305 1.00 0.00 N ATOM 421 CA LYS A 28 -12.491 8.636 2.327 1.00 0.00 C ATOM 422 C LYS A 28 -13.821 9.204 1.793 1.00 0.00 C ATOM 423 O LYS A 28 -14.919 8.714 2.126 1.00 0.00 O ATOM 424 CB LYS A 28 -12.089 9.350 3.630 1.00 0.00 C ATOM 425 CG LYS A 28 -12.976 9.041 4.814 1.00 0.00 C ATOM 426 CD LYS A 28 -12.514 9.790 6.063 1.00 0.00 C ATOM 427 CE LYS A 28 -13.350 9.424 7.293 1.00 0.00 C ATOM 428 NZ LYS A 28 -13.249 7.987 7.615 1.00 0.00 N ATOM 0 H LYS A 28 -10.762 9.527 1.512 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.615 7.575 2.546 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -11.064 9.075 3.879 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -12.097 10.426 3.457 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.005 9.316 4.582 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -12.968 7.968 5.007 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.466 9.561 6.256 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.579 10.864 5.887 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.017 10.013 8.148 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -14.393 9.684 7.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.141 7.868 8.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -14.111 7.499 7.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.424 7.580 7.131 1.00 0.00 H new ATOM 442 N THR A 29 -13.704 10.230 0.959 1.00 0.00 N ATOM 443 CA THR A 29 -14.844 10.817 0.280 1.00 0.00 C ATOM 444 C THR A 29 -15.462 9.750 -0.627 1.00 0.00 C ATOM 445 O THR A 29 -16.691 9.501 -0.603 1.00 0.00 O ATOM 446 CB THR A 29 -14.421 12.051 -0.568 1.00 0.00 C ATOM 447 OG1 THR A 29 -13.798 13.036 0.281 1.00 0.00 O ATOM 448 CG2 THR A 29 -15.625 12.676 -1.260 1.00 0.00 C ATOM 0 H THR A 29 -12.814 10.676 0.737 1.00 0.00 H new ATOM 0 HA THR A 29 -15.567 11.158 1.021 1.00 0.00 H new ATOM 0 HB THR A 29 -13.716 11.715 -1.328 1.00 0.00 H new ATOM 0 HG1 THR A 29 -12.959 12.676 0.639 1.00 0.00 H new ATOM 0 HG21 THR A 29 -15.302 13.536 -1.846 1.00 0.00 H new ATOM 0 HG22 THR A 29 -16.088 11.941 -1.919 1.00 0.00 H new ATOM 0 HG23 THR A 29 -16.348 12.998 -0.511 1.00 0.00 H new ATOM 456 N ALA A 30 -14.590 9.086 -1.387 1.00 0.00 N ATOM 457 CA ALA A 30 -14.980 8.033 -2.234 1.00 0.00 C ATOM 458 C ALA A 30 -15.558 6.883 -1.431 1.00 0.00 C ATOM 459 O ALA A 30 -16.521 6.320 -1.825 1.00 0.00 O ATOM 460 CB ALA A 30 -13.813 7.575 -3.079 1.00 0.00 C ATOM 0 H ALA A 30 -13.591 9.290 -1.409 1.00 0.00 H new ATOM 0 HA ALA A 30 -15.760 8.398 -2.902 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -14.132 6.760 -3.729 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -13.456 8.406 -3.688 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -13.008 7.229 -2.431 1.00 0.00 H new ATOM 466 N ALA A 31 -14.991 6.575 -0.293 1.00 0.00 N ATOM 467 CA ALA A 31 -15.488 5.482 0.561 1.00 0.00 C ATOM 468 C ALA A 31 -16.968 5.642 0.904 1.00 0.00 C ATOM 469 O ALA A 31 -17.728 4.692 0.804 1.00 0.00 O ATOM 470 CB ALA A 31 -14.727 5.431 1.846 1.00 0.00 C ATOM 0 H ALA A 31 -14.176 7.060 0.082 1.00 0.00 H new ATOM 0 HA ALA A 31 -15.350 4.564 -0.010 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -15.109 4.617 2.463 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.671 5.263 1.637 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -14.846 6.375 2.377 1.00 0.00 H new ATOM 476 N SER A 32 -17.357 6.848 1.276 1.00 0.00 N ATOM 477 CA SER A 32 -18.704 7.131 1.709 1.00 0.00 C ATOM 478 C SER A 32 -19.665 7.143 0.514 1.00 0.00 C ATOM 479 O SER A 32 -20.736 6.543 0.555 1.00 0.00 O ATOM 480 CB SER A 32 -18.737 8.485 2.459 1.00 0.00 C ATOM 481 OG SER A 32 -20.034 8.778 2.992 1.00 0.00 O ATOM 0 H SER A 32 -16.740 7.660 1.285 1.00 0.00 H new ATOM 0 HA SER A 32 -19.031 6.345 2.390 1.00 0.00 H new ATOM 0 HB2 SER A 32 -18.009 8.467 3.270 1.00 0.00 H new ATOM 0 HB3 SER A 32 -18.437 9.282 1.779 1.00 0.00 H new ATOM 0 HG SER A 32 -20.009 9.640 3.458 1.00 0.00 H new ATOM 487 N GLN A 33 -19.262 7.805 -0.556 1.00 0.00 N ATOM 488 CA GLN A 33 -20.084 7.992 -1.756 1.00 0.00 C ATOM 489 C GLN A 33 -20.057 6.755 -2.702 1.00 0.00 C ATOM 490 O GLN A 33 -21.080 6.085 -2.953 1.00 0.00 O ATOM 491 CB GLN A 33 -19.500 9.215 -2.495 1.00 0.00 C ATOM 492 CG GLN A 33 -19.588 10.537 -1.732 1.00 0.00 C ATOM 493 CD GLN A 33 -20.954 11.167 -1.802 1.00 0.00 C ATOM 494 OE1 GLN A 33 -21.611 11.029 -2.927 1.00 0.00 O flip ATOM 495 NE2 GLN A 33 -21.395 11.833 -0.860 1.00 0.00 N flip ATOM 0 H GLN A 33 -18.341 8.238 -0.625 1.00 0.00 H new ATOM 0 HA GLN A 33 -21.125 8.133 -1.464 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -18.453 9.015 -2.725 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -20.020 9.327 -3.446 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -19.326 10.366 -0.688 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -18.852 11.233 -2.135 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -20.855 11.918 0.001 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -22.299 12.298 -0.943 1.00 0.00 H new ATOM 504 N TYR A 34 -18.876 6.445 -3.130 1.00 0.00 N ATOM 505 CA TYR A 34 -18.559 5.500 -4.188 1.00 0.00 C ATOM 506 C TYR A 34 -18.324 4.101 -3.666 1.00 0.00 C ATOM 507 O TYR A 34 -18.783 3.134 -4.264 1.00 0.00 O ATOM 508 CB TYR A 34 -17.275 6.017 -4.901 1.00 0.00 C ATOM 509 CG TYR A 34 -17.484 7.253 -5.741 1.00 0.00 C ATOM 510 CD1 TYR A 34 -17.479 8.494 -5.162 1.00 0.00 C ATOM 511 CD2 TYR A 34 -17.676 7.175 -7.098 1.00 0.00 C ATOM 512 CE1 TYR A 34 -17.669 9.635 -5.895 1.00 0.00 C ATOM 513 CE2 TYR A 34 -17.870 8.314 -7.850 1.00 0.00 C ATOM 514 CZ TYR A 34 -17.857 9.536 -7.250 1.00 0.00 C ATOM 515 OH TYR A 34 -18.032 10.667 -8.015 1.00 0.00 O ATOM 0 H TYR A 34 -18.038 6.868 -2.730 1.00 0.00 H new ATOM 0 HA TYR A 34 -19.406 5.437 -4.872 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -16.516 6.228 -4.148 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -16.882 5.223 -5.536 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -17.321 8.575 -4.097 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -17.675 6.210 -7.582 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -17.671 10.601 -5.412 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -18.032 8.237 -8.915 1.00 0.00 H new ATOM 0 HH TYR A 34 -18.150 10.412 -8.954 1.00 0.00 H new ATOM 525 N GLY A 35 -17.644 3.993 -2.548 1.00 0.00 N ATOM 526 CA GLY A 35 -17.230 2.698 -2.081 1.00 0.00 C ATOM 527 C GLY A 35 -16.080 2.221 -2.955 1.00 0.00 C ATOM 528 O GLY A 35 -15.391 3.049 -3.551 1.00 0.00 O ATOM 0 H GLY A 35 -17.371 4.776 -1.955 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -16.917 2.752 -1.038 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -18.061 1.994 -2.128 1.00 0.00 H new ATOM 532 N ALA A 36 -15.824 0.948 -3.001 1.00 0.00 N ATOM 533 CA ALA A 36 -14.824 0.423 -3.911 1.00 0.00 C ATOM 534 C ALA A 36 -15.435 -0.113 -5.194 1.00 0.00 C ATOM 535 O ALA A 36 -16.646 -0.359 -5.266 1.00 0.00 O ATOM 536 CB ALA A 36 -13.919 -0.576 -3.258 1.00 0.00 C ATOM 0 H ALA A 36 -16.288 0.246 -2.424 1.00 0.00 H new ATOM 0 HA ALA A 36 -14.197 1.269 -4.192 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -13.190 -0.936 -3.984 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -13.398 -0.105 -2.424 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -14.509 -1.415 -2.889 1.00 0.00 H new ATOM 542 N THR A 37 -14.606 -0.176 -6.222 1.00 0.00 N ATOM 543 CA THR A 37 -14.969 -0.707 -7.530 1.00 0.00 C ATOM 544 C THR A 37 -15.340 0.362 -8.586 1.00 0.00 C ATOM 545 O THR A 37 -15.116 0.152 -9.787 1.00 0.00 O ATOM 546 CB THR A 37 -15.918 -1.953 -7.438 1.00 0.00 C ATOM 547 OG1 THR A 37 -15.141 -3.102 -7.049 1.00 0.00 O ATOM 548 CG2 THR A 37 -16.687 -2.242 -8.714 1.00 0.00 C ATOM 0 H THR A 37 -13.640 0.147 -6.172 1.00 0.00 H new ATOM 0 HA THR A 37 -14.049 -1.110 -7.953 1.00 0.00 H new ATOM 0 HB THR A 37 -16.676 -1.722 -6.690 1.00 0.00 H new ATOM 0 HG1 THR A 37 -15.725 -3.886 -6.987 1.00 0.00 H new ATOM 0 HG21 THR A 37 -17.319 -3.118 -8.567 1.00 0.00 H new ATOM 0 HG22 THR A 37 -17.309 -1.383 -8.966 1.00 0.00 H new ATOM 0 HG23 THR A 37 -15.986 -2.433 -9.526 1.00 0.00 H new ATOM 556 N ALA A 38 -15.853 1.501 -8.144 1.00 0.00 N ATOM 557 CA ALA A 38 -16.054 2.638 -9.040 1.00 0.00 C ATOM 558 C ALA A 38 -14.678 3.099 -9.546 1.00 0.00 C ATOM 559 O ALA A 38 -13.769 3.256 -8.749 1.00 0.00 O ATOM 560 CB ALA A 38 -16.744 3.773 -8.290 1.00 0.00 C ATOM 0 H ALA A 38 -16.137 1.665 -7.178 1.00 0.00 H new ATOM 0 HA ALA A 38 -16.684 2.349 -9.881 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -16.891 4.618 -8.963 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -17.711 3.430 -7.921 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -16.124 4.083 -7.449 1.00 0.00 H new ATOM 566 N PRO A 39 -14.509 3.307 -10.868 1.00 0.00 N ATOM 567 CA PRO A 39 -13.206 3.675 -11.496 1.00 0.00 C ATOM 568 C PRO A 39 -12.425 4.783 -10.767 1.00 0.00 C ATOM 569 O PRO A 39 -11.200 4.788 -10.773 1.00 0.00 O ATOM 570 CB PRO A 39 -13.632 4.147 -12.873 1.00 0.00 C ATOM 571 CG PRO A 39 -14.806 3.292 -13.190 1.00 0.00 C ATOM 572 CD PRO A 39 -15.568 3.186 -11.900 1.00 0.00 C ATOM 0 HA PRO A 39 -12.513 2.834 -11.482 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -13.896 5.205 -12.870 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -12.834 4.019 -13.605 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -15.418 3.737 -13.975 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -14.495 2.310 -13.547 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -16.313 3.976 -11.807 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -16.099 2.237 -11.823 1.00 0.00 H new ATOM 580 N TYR A 40 -13.150 5.679 -10.134 1.00 0.00 N ATOM 581 CA TYR A 40 -12.596 6.797 -9.403 1.00 0.00 C ATOM 582 C TYR A 40 -11.755 6.331 -8.187 1.00 0.00 C ATOM 583 O TYR A 40 -10.537 6.519 -8.150 1.00 0.00 O ATOM 584 CB TYR A 40 -13.776 7.724 -8.969 1.00 0.00 C ATOM 585 CG TYR A 40 -13.411 8.930 -8.110 1.00 0.00 C ATOM 586 CD1 TYR A 40 -12.709 10.012 -8.633 1.00 0.00 C ATOM 587 CD2 TYR A 40 -13.798 8.995 -6.770 1.00 0.00 C ATOM 588 CE1 TYR A 40 -12.402 11.113 -7.844 1.00 0.00 C ATOM 589 CE2 TYR A 40 -13.493 10.083 -5.986 1.00 0.00 C ATOM 590 CZ TYR A 40 -12.802 11.138 -6.518 1.00 0.00 C ATOM 591 OH TYR A 40 -12.497 12.227 -5.724 1.00 0.00 O ATOM 0 H TYR A 40 -14.169 5.649 -10.113 1.00 0.00 H new ATOM 0 HA TYR A 40 -11.910 7.350 -10.044 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -14.276 8.084 -9.868 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -14.500 7.121 -8.421 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -12.399 9.995 -9.667 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -14.349 8.172 -6.339 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -11.855 11.945 -8.262 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -13.799 10.105 -4.950 1.00 0.00 H new ATOM 0 HH TYR A 40 -12.852 12.084 -4.822 1.00 0.00 H new ATOM 601 N THR A 41 -12.421 5.712 -7.211 1.00 0.00 N ATOM 602 CA THR A 41 -11.837 5.294 -5.951 1.00 0.00 C ATOM 603 C THR A 41 -10.544 4.465 -6.116 1.00 0.00 C ATOM 604 O THR A 41 -9.525 4.785 -5.501 1.00 0.00 O ATOM 605 CB THR A 41 -12.902 4.551 -5.080 1.00 0.00 C ATOM 606 OG1 THR A 41 -12.372 4.162 -3.822 1.00 0.00 O ATOM 607 CG2 THR A 41 -13.444 3.329 -5.792 1.00 0.00 C ATOM 0 H THR A 41 -13.412 5.484 -7.285 1.00 0.00 H new ATOM 0 HA THR A 41 -11.528 6.199 -5.428 1.00 0.00 H new ATOM 0 HB THR A 41 -13.715 5.258 -4.916 1.00 0.00 H new ATOM 0 HG1 THR A 41 -13.065 3.704 -3.303 1.00 0.00 H new ATOM 0 HG21 THR A 41 -14.182 2.836 -5.159 1.00 0.00 H new ATOM 0 HG22 THR A 41 -13.914 3.632 -6.728 1.00 0.00 H new ATOM 0 HG23 THR A 41 -12.627 2.638 -6.002 1.00 0.00 H new ATOM 615 N LEU A 42 -10.543 3.462 -6.990 1.00 0.00 N ATOM 616 CA LEU A 42 -9.334 2.664 -7.154 1.00 0.00 C ATOM 617 C LEU A 42 -8.239 3.365 -7.896 1.00 0.00 C ATOM 618 O LEU A 42 -7.088 3.029 -7.722 1.00 0.00 O ATOM 619 CB LEU A 42 -9.525 1.188 -7.575 1.00 0.00 C ATOM 620 CG LEU A 42 -10.539 0.817 -8.670 1.00 0.00 C ATOM 621 CD1 LEU A 42 -11.936 0.796 -8.110 1.00 0.00 C ATOM 622 CD2 LEU A 42 -10.449 1.730 -9.874 1.00 0.00 C ATOM 0 H LEU A 42 -11.333 3.190 -7.575 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.987 2.568 -6.125 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.552 0.816 -7.897 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.799 0.630 -6.680 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.287 -0.185 -9.018 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -12.640 0.532 -8.899 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -11.996 0.060 -7.309 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -12.185 1.782 -7.717 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -11.186 1.425 -10.617 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.646 2.757 -9.567 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.450 1.666 -10.305 1.00 0.00 H new ATOM 634 N ALA A 43 -8.592 4.370 -8.692 1.00 0.00 N ATOM 635 CA ALA A 43 -7.590 5.196 -9.358 1.00 0.00 C ATOM 636 C ALA A 43 -6.751 5.868 -8.304 1.00 0.00 C ATOM 637 O ALA A 43 -5.516 5.942 -8.407 1.00 0.00 O ATOM 638 CB ALA A 43 -8.234 6.221 -10.280 1.00 0.00 C ATOM 0 H ALA A 43 -9.558 4.631 -8.891 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.961 4.565 -9.985 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.458 6.818 -10.759 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.819 5.707 -11.043 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.887 6.873 -9.700 1.00 0.00 H new ATOM 644 N ILE A 44 -7.431 6.272 -7.255 1.00 0.00 N ATOM 645 CA ILE A 44 -6.812 6.894 -6.105 1.00 0.00 C ATOM 646 C ILE A 44 -5.971 5.847 -5.323 1.00 0.00 C ATOM 647 O ILE A 44 -4.851 6.135 -4.916 1.00 0.00 O ATOM 648 CB ILE A 44 -7.884 7.499 -5.171 1.00 0.00 C ATOM 649 CG1 ILE A 44 -8.832 8.388 -5.987 1.00 0.00 C ATOM 650 CG2 ILE A 44 -7.216 8.318 -4.053 1.00 0.00 C ATOM 651 CD1 ILE A 44 -10.093 8.784 -5.258 1.00 0.00 C ATOM 0 H ILE A 44 -8.443 6.177 -7.175 1.00 0.00 H new ATOM 0 HA ILE A 44 -6.160 7.694 -6.456 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.456 6.692 -4.712 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -8.299 9.291 -6.284 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -9.105 7.864 -6.903 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.983 8.739 -3.402 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.560 7.671 -3.470 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.631 9.125 -4.493 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -10.706 9.411 -5.906 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.652 7.889 -4.985 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -9.833 9.339 -4.356 1.00 0.00 H new ATOM 663 N VAL A 45 -6.512 4.611 -5.162 1.00 0.00 N ATOM 664 CA VAL A 45 -5.811 3.501 -4.444 1.00 0.00 C ATOM 665 C VAL A 45 -4.468 3.213 -5.124 1.00 0.00 C ATOM 666 O VAL A 45 -3.432 3.009 -4.472 1.00 0.00 O ATOM 667 CB VAL A 45 -6.685 2.183 -4.403 1.00 0.00 C ATOM 668 CG1 VAL A 45 -5.966 1.010 -3.697 1.00 0.00 C ATOM 669 CG2 VAL A 45 -8.002 2.433 -3.702 1.00 0.00 C ATOM 0 H VAL A 45 -7.432 4.353 -5.518 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.645 3.821 -3.415 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.856 1.904 -5.443 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.613 0.133 -3.699 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.041 0.780 -4.225 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.737 1.290 -2.669 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.586 1.513 -3.686 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.814 2.761 -2.680 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.557 3.206 -4.235 1.00 0.00 H new ATOM 679 N GLU A 46 -4.481 3.272 -6.440 1.00 0.00 N ATOM 680 CA GLU A 46 -3.293 3.031 -7.225 1.00 0.00 C ATOM 681 C GLU A 46 -2.277 4.136 -7.019 1.00 0.00 C ATOM 682 O GLU A 46 -1.097 3.875 -6.967 1.00 0.00 O ATOM 683 CB GLU A 46 -3.617 2.943 -8.683 1.00 0.00 C ATOM 684 CG GLU A 46 -4.656 1.921 -9.036 1.00 0.00 C ATOM 685 CD GLU A 46 -4.784 1.757 -10.516 1.00 0.00 C ATOM 686 OE1 GLU A 46 -3.960 1.034 -11.116 1.00 0.00 O ATOM 687 OE2 GLU A 46 -5.711 2.345 -11.119 1.00 0.00 O ATOM 0 H GLU A 46 -5.312 3.487 -6.991 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.875 2.082 -6.891 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.958 3.920 -9.025 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.703 2.715 -9.231 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.394 0.964 -8.584 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.617 2.219 -8.618 1.00 0.00 H new ATOM 694 N SER A 47 -2.744 5.373 -6.925 1.00 0.00 N ATOM 695 CA SER A 47 -1.873 6.518 -6.696 1.00 0.00 C ATOM 696 C SER A 47 -1.266 6.435 -5.291 1.00 0.00 C ATOM 697 O SER A 47 -0.079 6.754 -5.082 1.00 0.00 O ATOM 698 CB SER A 47 -2.664 7.814 -6.882 1.00 0.00 C ATOM 699 OG SER A 47 -3.298 7.831 -8.160 1.00 0.00 O ATOM 0 H SER A 47 -3.733 5.611 -7.005 1.00 0.00 H new ATOM 0 HA SER A 47 -1.058 6.510 -7.419 1.00 0.00 H new ATOM 0 HB2 SER A 47 -3.414 7.906 -6.096 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.997 8.671 -6.788 1.00 0.00 H new ATOM 0 HG SER A 47 -4.037 7.187 -8.167 1.00 0.00 H new ATOM 705 N VAL A 48 -2.071 5.950 -4.358 1.00 0.00 N ATOM 706 CA VAL A 48 -1.637 5.715 -2.988 1.00 0.00 C ATOM 707 C VAL A 48 -0.479 4.714 -2.952 1.00 0.00 C ATOM 708 O VAL A 48 0.496 4.927 -2.273 1.00 0.00 O ATOM 709 CB VAL A 48 -2.805 5.216 -2.087 1.00 0.00 C ATOM 710 CG1 VAL A 48 -2.301 4.770 -0.721 1.00 0.00 C ATOM 711 CG2 VAL A 48 -3.841 6.317 -1.913 1.00 0.00 C ATOM 0 H VAL A 48 -3.047 5.707 -4.529 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.294 6.670 -2.590 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.262 4.359 -2.581 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.141 4.428 -0.117 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.587 3.955 -0.845 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.813 5.607 -0.222 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.653 5.956 -1.281 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.375 7.184 -1.445 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.238 6.600 -2.888 1.00 0.00 H new ATOM 721 N ALA A 49 -0.567 3.655 -3.719 1.00 0.00 N ATOM 722 CA ALA A 49 0.509 2.669 -3.724 1.00 0.00 C ATOM 723 C ALA A 49 1.534 2.963 -4.794 1.00 0.00 C ATOM 724 O ALA A 49 2.441 2.189 -4.998 1.00 0.00 O ATOM 725 CB ALA A 49 -0.016 1.232 -3.839 1.00 0.00 C ATOM 0 H ALA A 49 -1.350 3.447 -4.338 1.00 0.00 H new ATOM 0 HA ALA A 49 1.006 2.751 -2.757 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.824 0.537 -3.838 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.668 1.014 -2.993 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.577 1.123 -4.767 1.00 0.00 H new ATOM 731 N ASP A 50 1.393 4.086 -5.473 1.00 0.00 N ATOM 732 CA ASP A 50 2.338 4.451 -6.512 1.00 0.00 C ATOM 733 C ASP A 50 3.519 5.141 -5.901 1.00 0.00 C ATOM 734 O ASP A 50 4.624 5.094 -6.419 1.00 0.00 O ATOM 735 CB ASP A 50 1.701 5.360 -7.545 1.00 0.00 C ATOM 736 CG ASP A 50 2.519 5.434 -8.819 1.00 0.00 C ATOM 737 OD1 ASP A 50 2.282 4.600 -9.715 1.00 0.00 O ATOM 738 OD2 ASP A 50 3.385 6.325 -8.957 1.00 0.00 O ATOM 0 H ASP A 50 0.639 4.757 -5.326 1.00 0.00 H new ATOM 0 HA ASP A 50 2.658 3.537 -7.012 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.700 4.998 -7.778 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.589 6.361 -7.127 1.00 0.00 H new ATOM 743 N ASN A 51 3.294 5.751 -4.772 1.00 0.00 N ATOM 744 CA ASN A 51 4.360 6.450 -4.098 1.00 0.00 C ATOM 745 C ASN A 51 5.074 5.471 -3.201 1.00 0.00 C ATOM 746 O ASN A 51 4.628 4.346 -3.035 1.00 0.00 O ATOM 747 CB ASN A 51 3.852 7.678 -3.304 1.00 0.00 C ATOM 748 CG ASN A 51 3.068 7.356 -2.052 1.00 0.00 C ATOM 749 OD1 ASN A 51 3.632 7.209 -0.970 1.00 0.00 O ATOM 750 ND2 ASN A 51 1.771 7.302 -2.176 1.00 0.00 N ATOM 0 H ASN A 51 2.391 5.781 -4.299 1.00 0.00 H new ATOM 0 HA ASN A 51 5.050 6.846 -4.843 1.00 0.00 H new ATOM 0 HB2 ASN A 51 4.709 8.292 -3.029 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.225 8.281 -3.961 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.187 7.133 -1.357 1.00 0.00 H new ATOM 0 HD22 ASN A 51 1.341 7.429 -3.092 1.00 0.00 H new ATOM 757 N TRP A 52 6.164 5.876 -2.642 1.00 0.00 N ATOM 758 CA TRP A 52 6.931 5.010 -1.811 1.00 0.00 C ATOM 759 C TRP A 52 6.401 5.131 -0.426 1.00 0.00 C ATOM 760 O TRP A 52 6.396 6.198 0.124 1.00 0.00 O ATOM 761 CB TRP A 52 8.403 5.414 -1.862 1.00 0.00 C ATOM 762 CG TRP A 52 8.947 5.443 -3.256 1.00 0.00 C ATOM 763 CD1 TRP A 52 9.393 4.378 -3.960 1.00 0.00 C ATOM 764 CD2 TRP A 52 9.088 6.586 -4.119 1.00 0.00 C ATOM 765 NE1 TRP A 52 9.813 4.766 -5.197 1.00 0.00 N ATOM 766 CE2 TRP A 52 9.640 6.123 -5.324 1.00 0.00 C ATOM 767 CE3 TRP A 52 8.809 7.950 -3.991 1.00 0.00 C ATOM 768 CZ2 TRP A 52 9.917 6.976 -6.391 1.00 0.00 C ATOM 769 CZ3 TRP A 52 9.081 8.789 -5.050 1.00 0.00 C ATOM 770 CH2 TRP A 52 9.630 8.304 -6.236 1.00 0.00 C ATOM 0 H TRP A 52 6.548 6.815 -2.748 1.00 0.00 H new ATOM 0 HA TRP A 52 6.856 3.977 -2.151 1.00 0.00 H new ATOM 0 HB2 TRP A 52 8.521 6.399 -1.410 1.00 0.00 H new ATOM 0 HB3 TRP A 52 8.988 4.716 -1.263 1.00 0.00 H new ATOM 0 HD1 TRP A 52 9.413 3.362 -3.593 1.00 0.00 H new ATOM 0 HE1 TRP A 52 10.194 4.148 -5.913 1.00 0.00 H new ATOM 0 HE3 TRP A 52 8.387 8.340 -3.077 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 10.344 6.601 -7.309 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 8.865 9.843 -4.959 1.00 0.00 H new ATOM 0 HH2 TRP A 52 9.832 8.989 -7.046 1.00 0.00 H new ATOM 781 N LEU A 53 5.899 4.085 0.109 1.00 0.00 N ATOM 782 CA LEU A 53 5.339 4.148 1.425 1.00 0.00 C ATOM 783 C LEU A 53 5.666 2.881 2.201 1.00 0.00 C ATOM 784 O LEU A 53 6.356 2.009 1.687 1.00 0.00 O ATOM 785 CB LEU A 53 3.813 4.512 1.402 1.00 0.00 C ATOM 786 CG LEU A 53 2.774 3.507 0.836 1.00 0.00 C ATOM 787 CD1 LEU A 53 1.376 4.119 0.909 1.00 0.00 C ATOM 788 CD2 LEU A 53 3.064 3.093 -0.601 1.00 0.00 C ATOM 0 H LEU A 53 5.859 3.168 -0.335 1.00 0.00 H new ATOM 0 HA LEU A 53 5.807 4.971 1.966 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.520 4.735 2.428 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.711 5.436 0.833 1.00 0.00 H new ATOM 0 HG LEU A 53 2.838 2.609 1.450 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.648 3.412 0.511 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.132 4.346 1.947 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.349 5.037 0.321 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.302 2.390 -0.938 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.054 3.974 -1.243 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.044 2.618 -0.652 1.00 0.00 H new ATOM 800 N THR A 54 5.229 2.788 3.427 1.00 0.00 N ATOM 801 CA THR A 54 5.583 1.671 4.274 1.00 0.00 C ATOM 802 C THR A 54 4.330 0.865 4.605 1.00 0.00 C ATOM 803 O THR A 54 3.230 1.362 4.411 1.00 0.00 O ATOM 804 CB THR A 54 6.209 2.196 5.592 1.00 0.00 C ATOM 805 OG1 THR A 54 5.252 3.004 6.311 1.00 0.00 O ATOM 806 CG2 THR A 54 7.447 3.043 5.302 1.00 0.00 C ATOM 0 H THR A 54 4.621 3.477 3.869 1.00 0.00 H new ATOM 0 HA THR A 54 6.301 1.039 3.752 1.00 0.00 H new ATOM 0 HB THR A 54 6.494 1.334 6.195 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.657 3.329 7.142 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.871 3.401 6.240 1.00 0.00 H new ATOM 0 HG22 THR A 54 8.187 2.438 4.777 1.00 0.00 H new ATOM 0 HG23 THR A 54 7.168 3.894 4.681 1.00 0.00 H new ATOM 814 N PRO A 55 4.462 -0.395 5.084 1.00 0.00 N ATOM 815 CA PRO A 55 3.300 -1.193 5.547 1.00 0.00 C ATOM 816 C PRO A 55 2.519 -0.471 6.673 1.00 0.00 C ATOM 817 O PRO A 55 1.303 -0.599 6.797 1.00 0.00 O ATOM 818 CB PRO A 55 3.932 -2.472 6.088 1.00 0.00 C ATOM 819 CG PRO A 55 5.234 -2.586 5.349 1.00 0.00 C ATOM 820 CD PRO A 55 5.715 -1.180 5.124 1.00 0.00 C ATOM 0 HA PRO A 55 2.580 -1.365 4.747 1.00 0.00 H new ATOM 0 HB2 PRO A 55 4.090 -2.413 7.165 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.295 -3.338 5.907 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.960 -3.158 5.927 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.099 -3.107 4.401 1.00 0.00 H new ATOM 0 HD2 PRO A 55 6.373 -0.847 5.926 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.276 -1.091 4.194 1.00 0.00 H new ATOM 828 N THR A 56 3.247 0.291 7.475 1.00 0.00 N ATOM 829 CA THR A 56 2.680 1.104 8.544 1.00 0.00 C ATOM 830 C THR A 56 1.781 2.205 7.943 1.00 0.00 C ATOM 831 O THR A 56 0.643 2.448 8.420 1.00 0.00 O ATOM 832 CB THR A 56 3.844 1.729 9.353 1.00 0.00 C ATOM 833 OG1 THR A 56 4.750 0.679 9.721 1.00 0.00 O ATOM 834 CG2 THR A 56 3.339 2.417 10.606 1.00 0.00 C ATOM 0 H THR A 56 4.262 0.364 7.402 1.00 0.00 H new ATOM 0 HA THR A 56 2.067 0.490 9.204 1.00 0.00 H new ATOM 0 HB THR A 56 4.342 2.478 8.737 1.00 0.00 H new ATOM 0 HG1 THR A 56 5.496 1.055 10.233 1.00 0.00 H new ATOM 0 HG21 THR A 56 4.181 2.845 11.151 1.00 0.00 H new ATOM 0 HG22 THR A 56 2.644 3.210 10.331 1.00 0.00 H new ATOM 0 HG23 THR A 56 2.829 1.691 11.239 1.00 0.00 H new ATOM 842 N ASP A 57 2.292 2.832 6.879 1.00 0.00 N ATOM 843 CA ASP A 57 1.578 3.865 6.139 1.00 0.00 C ATOM 844 C ASP A 57 0.349 3.225 5.491 1.00 0.00 C ATOM 845 O ASP A 57 -0.765 3.716 5.631 1.00 0.00 O ATOM 846 CB ASP A 57 2.528 4.490 5.093 1.00 0.00 C ATOM 847 CG ASP A 57 2.148 5.895 4.660 1.00 0.00 C ATOM 848 OD1 ASP A 57 2.164 6.804 5.507 1.00 0.00 O ATOM 849 OD2 ASP A 57 1.917 6.136 3.468 1.00 0.00 O ATOM 0 H ASP A 57 3.221 2.632 6.508 1.00 0.00 H new ATOM 0 HA ASP A 57 1.244 4.667 6.797 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.538 4.510 5.503 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.554 3.847 4.214 1.00 0.00 H new ATOM 854 N TRP A 58 0.579 2.060 4.878 1.00 0.00 N ATOM 855 CA TRP A 58 -0.452 1.220 4.271 1.00 0.00 C ATOM 856 C TRP A 58 -1.618 0.909 5.214 1.00 0.00 C ATOM 857 O TRP A 58 -2.762 1.271 4.939 1.00 0.00 O ATOM 858 CB TRP A 58 0.142 -0.117 3.790 1.00 0.00 C ATOM 859 CG TRP A 58 0.626 -0.151 2.381 1.00 0.00 C ATOM 860 CD1 TRP A 58 0.612 0.853 1.466 1.00 0.00 C ATOM 861 CD2 TRP A 58 1.142 -1.293 1.705 1.00 0.00 C ATOM 862 NE1 TRP A 58 1.125 0.408 0.276 1.00 0.00 N ATOM 863 CE2 TRP A 58 1.456 -0.898 0.397 1.00 0.00 C ATOM 864 CE3 TRP A 58 1.384 -2.606 2.086 1.00 0.00 C ATOM 865 CZ2 TRP A 58 1.995 -1.771 -0.533 1.00 0.00 C ATOM 866 CZ3 TRP A 58 1.910 -3.475 1.161 1.00 0.00 C ATOM 867 CH2 TRP A 58 2.211 -3.052 -0.130 1.00 0.00 C ATOM 0 H TRP A 58 1.516 1.666 4.789 1.00 0.00 H new ATOM 0 HA TRP A 58 -0.837 1.800 3.432 1.00 0.00 H new ATOM 0 HB2 TRP A 58 0.974 -0.378 4.445 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -0.615 -0.892 3.911 1.00 0.00 H new ATOM 0 HD1 TRP A 58 0.250 1.854 1.649 1.00 0.00 H new ATOM 0 HE1 TRP A 58 1.239 0.971 -0.567 1.00 0.00 H new ATOM 0 HE3 TRP A 58 1.163 -2.938 3.090 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 2.234 -1.448 -1.536 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 2.093 -4.502 1.440 1.00 0.00 H new ATOM 0 HH2 TRP A 58 2.627 -3.760 -0.831 1.00 0.00 H new ATOM 878 N ASN A 59 -1.343 0.232 6.318 1.00 0.00 N ATOM 879 CA ASN A 59 -2.420 -0.219 7.220 1.00 0.00 C ATOM 880 C ASN A 59 -3.181 0.930 7.805 1.00 0.00 C ATOM 881 O ASN A 59 -4.387 0.848 7.992 1.00 0.00 O ATOM 882 CB ASN A 59 -1.908 -1.149 8.310 1.00 0.00 C ATOM 883 CG ASN A 59 -1.396 -2.457 7.751 1.00 0.00 C ATOM 884 OD1 ASN A 59 -1.881 -2.948 6.710 1.00 0.00 O ATOM 885 ND2 ASN A 59 -0.421 -3.020 8.414 1.00 0.00 N ATOM 0 H ASN A 59 -0.401 -0.020 6.618 1.00 0.00 H new ATOM 0 HA ASN A 59 -3.113 -0.793 6.604 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.109 -0.654 8.862 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.710 -1.349 9.021 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.022 -3.900 8.086 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.058 -2.580 9.260 1.00 0.00 H new ATOM 892 N THR A 60 -2.495 2.026 7.972 1.00 0.00 N ATOM 893 CA THR A 60 -3.173 3.179 8.508 1.00 0.00 C ATOM 894 C THR A 60 -4.054 3.841 7.418 1.00 0.00 C ATOM 895 O THR A 60 -5.154 4.356 7.702 1.00 0.00 O ATOM 896 CB THR A 60 -2.184 4.165 9.155 1.00 0.00 C ATOM 897 OG1 THR A 60 -1.386 3.443 10.126 1.00 0.00 O ATOM 898 CG2 THR A 60 -2.926 5.304 9.865 1.00 0.00 C ATOM 0 H THR A 60 -1.506 2.148 7.756 1.00 0.00 H new ATOM 0 HA THR A 60 -3.838 2.852 9.307 1.00 0.00 H new ATOM 0 HB THR A 60 -1.555 4.598 8.377 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.621 3.027 9.676 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.203 5.986 10.313 1.00 0.00 H new ATOM 0 HG22 THR A 60 -3.537 5.846 9.143 1.00 0.00 H new ATOM 0 HG23 THR A 60 -3.566 4.891 10.644 1.00 0.00 H new ATOM 906 N LEU A 61 -3.590 3.734 6.175 1.00 0.00 N ATOM 907 CA LEU A 61 -4.261 4.252 5.000 1.00 0.00 C ATOM 908 C LEU A 61 -5.606 3.542 4.827 1.00 0.00 C ATOM 909 O LEU A 61 -6.642 4.188 4.928 1.00 0.00 O ATOM 910 CB LEU A 61 -3.315 4.069 3.768 1.00 0.00 C ATOM 911 CG LEU A 61 -3.674 4.725 2.412 1.00 0.00 C ATOM 912 CD1 LEU A 61 -4.909 4.108 1.754 1.00 0.00 C ATOM 913 CD2 LEU A 61 -3.816 6.239 2.559 1.00 0.00 C ATOM 0 H LEU A 61 -2.709 3.269 5.958 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.476 5.316 5.102 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.331 4.439 4.057 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.214 2.998 3.593 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.842 4.521 1.738 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.107 4.612 0.808 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.732 3.048 1.571 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.769 4.224 2.414 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.068 6.676 1.593 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.606 6.462 3.276 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.875 6.660 2.913 1.00 0.00 H new ATOM 925 N VAL A 62 -5.579 2.200 4.639 1.00 0.00 N ATOM 926 CA VAL A 62 -6.826 1.415 4.426 1.00 0.00 C ATOM 927 C VAL A 62 -7.803 1.637 5.568 1.00 0.00 C ATOM 928 O VAL A 62 -8.993 1.892 5.366 1.00 0.00 O ATOM 929 CB VAL A 62 -6.570 -0.131 4.210 1.00 0.00 C ATOM 930 CG1 VAL A 62 -5.758 -0.756 5.333 1.00 0.00 C ATOM 931 CG2 VAL A 62 -7.880 -0.884 4.045 1.00 0.00 C ATOM 0 H VAL A 62 -4.724 1.644 4.630 1.00 0.00 H new ATOM 0 HA VAL A 62 -7.262 1.787 3.499 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.985 -0.216 3.294 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.614 -1.817 5.131 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.788 -0.264 5.398 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.290 -0.636 6.277 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -7.674 -1.944 3.898 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -8.490 -0.753 4.939 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -8.417 -0.495 3.180 1.00 0.00 H new ATOM 941 N ARG A 63 -7.240 1.627 6.746 1.00 0.00 N ATOM 942 CA ARG A 63 -7.982 1.816 7.995 1.00 0.00 C ATOM 943 C ARG A 63 -8.750 3.148 8.049 1.00 0.00 C ATOM 944 O ARG A 63 -9.812 3.238 8.675 1.00 0.00 O ATOM 945 CB ARG A 63 -7.036 1.593 9.216 1.00 0.00 C ATOM 946 CG ARG A 63 -7.415 2.257 10.543 1.00 0.00 C ATOM 947 CD ARG A 63 -6.979 3.726 10.579 1.00 0.00 C ATOM 948 NE ARG A 63 -7.348 4.400 11.816 1.00 0.00 N ATOM 949 CZ ARG A 63 -6.993 5.663 12.120 1.00 0.00 C ATOM 950 NH1 ARG A 63 -6.285 6.398 11.244 1.00 0.00 N ATOM 951 NH2 ARG A 63 -7.360 6.192 13.277 1.00 0.00 N ATOM 0 H ARG A 63 -6.239 1.486 6.883 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.764 1.058 8.040 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.959 0.519 9.389 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.042 1.943 8.938 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -8.493 2.192 10.689 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.949 1.717 11.368 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.898 3.781 10.450 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.428 4.253 9.737 1.00 0.00 H new ATOM 0 HE ARG A 63 -7.910 3.884 12.493 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -6.015 5.999 10.345 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -6.018 7.354 11.479 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -7.911 5.643 13.937 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -7.092 7.148 13.508 1.00 0.00 H new ATOM 965 N ALA A 64 -8.217 4.164 7.428 1.00 0.00 N ATOM 966 CA ALA A 64 -8.858 5.464 7.450 1.00 0.00 C ATOM 967 C ALA A 64 -9.722 5.701 6.219 1.00 0.00 C ATOM 968 O ALA A 64 -10.927 5.976 6.336 1.00 0.00 O ATOM 969 CB ALA A 64 -7.820 6.555 7.603 1.00 0.00 C ATOM 0 H ALA A 64 -7.345 4.125 6.901 1.00 0.00 H new ATOM 0 HA ALA A 64 -9.526 5.488 8.311 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.313 7.527 7.618 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.275 6.410 8.536 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.124 6.515 6.765 1.00 0.00 H new ATOM 975 N VAL A 65 -9.090 5.626 5.086 1.00 0.00 N ATOM 976 CA VAL A 65 -9.759 5.896 3.803 1.00 0.00 C ATOM 977 C VAL A 65 -11.077 5.127 3.604 1.00 0.00 C ATOM 978 O VAL A 65 -12.030 5.701 3.161 1.00 0.00 O ATOM 979 CB VAL A 65 -8.842 5.742 2.570 1.00 0.00 C ATOM 980 CG1 VAL A 65 -7.647 6.686 2.681 1.00 0.00 C ATOM 981 CG2 VAL A 65 -8.408 4.300 2.373 1.00 0.00 C ATOM 0 H VAL A 65 -8.104 5.380 5.001 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.018 6.952 3.879 1.00 0.00 H new ATOM 0 HB VAL A 65 -9.410 6.019 1.682 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.008 6.568 1.806 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -8.001 7.716 2.736 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.078 6.449 3.580 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.764 4.230 1.496 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.861 3.961 3.253 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -9.287 3.672 2.228 1.00 0.00 H new ATOM 991 N LEU A 66 -11.144 3.857 3.977 1.00 0.00 N ATOM 992 CA LEU A 66 -12.389 3.103 3.835 1.00 0.00 C ATOM 993 C LEU A 66 -12.749 2.428 5.157 1.00 0.00 C ATOM 994 O LEU A 66 -11.996 2.521 6.137 1.00 0.00 O ATOM 995 CB LEU A 66 -12.389 2.076 2.653 1.00 0.00 C ATOM 996 CG LEU A 66 -12.818 2.548 1.236 1.00 0.00 C ATOM 997 CD1 LEU A 66 -11.858 3.553 0.626 1.00 0.00 C ATOM 998 CD2 LEU A 66 -12.990 1.348 0.319 1.00 0.00 C ATOM 0 H LEU A 66 -10.366 3.330 4.375 1.00 0.00 H new ATOM 0 HA LEU A 66 -13.158 3.830 3.575 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -11.381 1.670 2.572 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -13.043 1.251 2.936 1.00 0.00 H new ATOM 0 HG LEU A 66 -13.771 3.065 1.348 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -12.214 3.843 -0.363 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -11.801 4.435 1.264 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -10.869 3.104 0.538 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -13.291 1.688 -0.672 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -12.046 0.807 0.246 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -13.756 0.687 0.724 1.00 0.00 H new ATOM 1010 N SER A 67 -13.906 1.790 5.205 1.00 0.00 N ATOM 1011 CA SER A 67 -14.407 1.142 6.399 1.00 0.00 C ATOM 1012 C SER A 67 -15.448 0.092 6.027 1.00 0.00 C ATOM 1013 O SER A 67 -15.995 0.116 4.902 1.00 0.00 O ATOM 1014 CB SER A 67 -15.012 2.184 7.360 1.00 0.00 C ATOM 1015 OG SER A 67 -14.021 3.099 7.818 1.00 0.00 O ATOM 0 H SER A 67 -14.531 1.708 4.403 1.00 0.00 H new ATOM 0 HA SER A 67 -13.578 0.648 6.905 1.00 0.00 H new ATOM 0 HB2 SER A 67 -15.809 2.730 6.854 1.00 0.00 H new ATOM 0 HB3 SER A 67 -15.464 1.677 8.212 1.00 0.00 H new ATOM 0 HG SER A 67 -13.140 2.814 7.497 1.00 0.00 H new ATOM 1021 N GLY A 68 -15.687 -0.831 6.932 1.00 0.00 N ATOM 1022 CA GLY A 68 -16.696 -1.828 6.747 1.00 0.00 C ATOM 1023 C GLY A 68 -16.200 -2.973 5.897 1.00 0.00 C ATOM 1024 O GLY A 68 -15.400 -3.804 6.350 1.00 0.00 O ATOM 0 H GLY A 68 -15.182 -0.904 7.815 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -17.015 -2.207 7.718 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -17.571 -1.378 6.277 1.00 0.00 H new ATOM 1028 N GLY A 69 -16.619 -2.985 4.667 1.00 0.00 N ATOM 1029 CA GLY A 69 -16.250 -4.034 3.743 1.00 0.00 C ATOM 1030 C GLY A 69 -14.775 -4.026 3.372 1.00 0.00 C ATOM 1031 O GLY A 69 -14.238 -5.040 2.927 1.00 0.00 O ATOM 0 H GLY A 69 -17.227 -2.270 4.268 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -16.500 -4.999 4.183 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -16.845 -3.933 2.835 1.00 0.00 H new ATOM 1035 N ASP A 70 -14.127 -2.868 3.546 1.00 0.00 N ATOM 1036 CA ASP A 70 -12.704 -2.644 3.152 1.00 0.00 C ATOM 1037 C ASP A 70 -11.814 -3.809 3.555 1.00 0.00 C ATOM 1038 O ASP A 70 -11.111 -4.383 2.720 1.00 0.00 O ATOM 1039 CB ASP A 70 -12.127 -1.324 3.743 1.00 0.00 C ATOM 1040 CG ASP A 70 -11.815 -1.389 5.230 1.00 0.00 C ATOM 1041 OD1 ASP A 70 -12.750 -1.392 6.050 1.00 0.00 O ATOM 1042 OD2 ASP A 70 -10.637 -1.517 5.595 1.00 0.00 O ATOM 0 H ASP A 70 -14.565 -2.047 3.965 1.00 0.00 H new ATOM 0 HA ASP A 70 -12.708 -2.562 2.065 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.216 -1.066 3.203 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -12.840 -0.519 3.568 1.00 0.00 H new ATOM 1047 N HIS A 71 -11.945 -4.225 4.798 1.00 0.00 N ATOM 1048 CA HIS A 71 -11.105 -5.227 5.349 1.00 0.00 C ATOM 1049 C HIS A 71 -11.337 -6.564 4.656 1.00 0.00 C ATOM 1050 O HIS A 71 -10.391 -7.248 4.327 1.00 0.00 O ATOM 1051 CB HIS A 71 -11.327 -5.337 6.857 1.00 0.00 C ATOM 1052 CG HIS A 71 -10.258 -6.097 7.586 1.00 0.00 C ATOM 1053 ND1 HIS A 71 -10.459 -7.292 8.217 1.00 0.00 N ATOM 1054 CD2 HIS A 71 -8.966 -5.784 7.803 1.00 0.00 C ATOM 1055 CE1 HIS A 71 -9.336 -7.673 8.784 1.00 0.00 C ATOM 1056 NE2 HIS A 71 -8.423 -6.776 8.546 1.00 0.00 N ATOM 0 H HIS A 71 -12.647 -3.865 5.445 1.00 0.00 H new ATOM 0 HA HIS A 71 -10.066 -4.943 5.181 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -11.393 -4.333 7.277 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -12.287 -5.821 7.037 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -8.456 -4.901 7.448 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -9.194 -8.580 9.353 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -7.456 -6.815 8.867 1.00 0.00 H new ATOM 1065 N LEU A 72 -12.577 -6.879 4.364 1.00 0.00 N ATOM 1066 CA LEU A 72 -12.881 -8.142 3.752 1.00 0.00 C ATOM 1067 C LEU A 72 -12.361 -8.300 2.323 1.00 0.00 C ATOM 1068 O LEU A 72 -11.636 -9.218 2.076 1.00 0.00 O ATOM 1069 CB LEU A 72 -14.325 -8.653 4.014 1.00 0.00 C ATOM 1070 CG LEU A 72 -15.518 -7.723 3.740 1.00 0.00 C ATOM 1071 CD1 LEU A 72 -15.856 -7.625 2.260 1.00 0.00 C ATOM 1072 CD2 LEU A 72 -16.724 -8.178 4.531 1.00 0.00 C ATOM 0 H LEU A 72 -13.384 -6.280 4.540 1.00 0.00 H new ATOM 0 HA LEU A 72 -12.273 -8.862 4.299 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -14.467 -9.552 3.414 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -14.380 -8.955 5.060 1.00 0.00 H new ATOM 0 HG LEU A 72 -15.228 -6.723 4.063 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -16.706 -6.956 2.124 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -14.996 -7.235 1.715 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -16.109 -8.614 1.878 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -17.563 -7.512 4.330 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -16.988 -9.194 4.239 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -16.491 -8.156 5.595 1.00 0.00 H new ATOM 1084 N LEU A 73 -12.629 -7.384 1.408 1.00 0.00 N ATOM 1085 CA LEU A 73 -12.029 -7.594 0.075 1.00 0.00 C ATOM 1086 C LEU A 73 -10.629 -7.056 -0.066 1.00 0.00 C ATOM 1087 O LEU A 73 -9.728 -7.840 -0.408 1.00 0.00 O ATOM 1088 CB LEU A 73 -12.889 -7.249 -1.135 1.00 0.00 C ATOM 1089 CG LEU A 73 -13.786 -8.371 -1.714 1.00 0.00 C ATOM 1090 CD1 LEU A 73 -12.963 -9.593 -2.095 1.00 0.00 C ATOM 1091 CD2 LEU A 73 -14.914 -8.766 -0.776 1.00 0.00 C ATOM 0 H LEU A 73 -13.205 -6.551 1.530 1.00 0.00 H new ATOM 0 HA LEU A 73 -11.967 -8.682 0.052 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -13.531 -6.411 -0.864 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -12.229 -6.902 -1.930 1.00 0.00 H new ATOM 0 HG LEU A 73 -14.244 -7.960 -2.613 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -13.621 -10.363 -2.498 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -12.226 -9.315 -2.848 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -12.453 -9.978 -1.212 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -15.509 -9.556 -1.235 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -14.496 -9.126 0.164 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -15.547 -7.900 -0.584 1.00 0.00 H new ATOM 1103 N TRP A 74 -10.421 -5.740 0.192 1.00 0.00 N ATOM 1104 CA TRP A 74 -9.104 -5.151 0.139 1.00 0.00 C ATOM 1105 C TRP A 74 -8.117 -5.961 1.004 1.00 0.00 C ATOM 1106 O TRP A 74 -7.038 -6.331 0.586 1.00 0.00 O ATOM 1107 CB TRP A 74 -9.115 -3.695 0.668 1.00 0.00 C ATOM 1108 CG TRP A 74 -9.648 -2.505 -0.191 1.00 0.00 C ATOM 1109 CD1 TRP A 74 -10.564 -2.454 -1.234 1.00 0.00 C ATOM 1110 CD2 TRP A 74 -9.201 -1.169 -0.021 1.00 0.00 C ATOM 1111 NE1 TRP A 74 -10.735 -1.135 -1.656 1.00 0.00 N ATOM 1112 CE2 TRP A 74 -9.912 -0.332 -0.901 1.00 0.00 C ATOM 1113 CE3 TRP A 74 -8.273 -0.629 0.817 1.00 0.00 C ATOM 1114 CZ2 TRP A 74 -9.712 1.051 -0.936 1.00 0.00 C ATOM 1115 CZ3 TRP A 74 -8.049 0.752 0.797 1.00 0.00 C ATOM 1116 CH2 TRP A 74 -8.781 1.578 -0.067 1.00 0.00 C ATOM 0 H TRP A 74 -11.164 -5.085 0.437 1.00 0.00 H new ATOM 0 HA TRP A 74 -8.793 -5.158 -0.906 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -9.695 -3.701 1.591 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -8.088 -3.451 0.939 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -11.070 -3.310 -1.656 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -11.362 -0.821 -2.397 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -7.715 -1.261 1.491 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -10.265 1.681 -1.617 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -7.307 1.184 1.452 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -8.613 2.645 -0.052 1.00 0.00 H new ATOM 1127 N LYS A 75 -8.500 -6.233 2.187 1.00 0.00 N ATOM 1128 CA LYS A 75 -7.587 -6.828 3.120 1.00 0.00 C ATOM 1129 C LYS A 75 -7.474 -8.340 3.130 1.00 0.00 C ATOM 1130 O LYS A 75 -6.377 -8.833 3.362 1.00 0.00 O ATOM 1131 CB LYS A 75 -7.630 -6.164 4.462 1.00 0.00 C ATOM 1132 CG LYS A 75 -7.412 -4.655 4.325 1.00 0.00 C ATOM 1133 CD LYS A 75 -5.978 -4.308 3.927 1.00 0.00 C ATOM 1134 CE LYS A 75 -5.072 -4.387 5.163 1.00 0.00 C ATOM 1135 NZ LYS A 75 -3.643 -4.045 4.912 1.00 0.00 N ATOM 0 H LYS A 75 -9.438 -6.059 2.549 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.607 -6.597 2.702 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.592 -6.356 4.938 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -6.863 -6.590 5.109 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.100 -4.257 3.579 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.652 -4.169 5.271 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.625 -4.997 3.159 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.940 -3.307 3.498 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.463 -3.715 5.927 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -5.123 -5.397 5.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.197 -3.744 5.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.146 -4.880 4.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.588 -3.272 4.218 1.00 0.00 H new ATOM 1149 N SER A 76 -8.558 -9.092 2.893 1.00 0.00 N ATOM 1150 CA SER A 76 -8.397 -10.539 2.805 1.00 0.00 C ATOM 1151 C SER A 76 -7.462 -10.835 1.665 1.00 0.00 C ATOM 1152 O SER A 76 -6.479 -11.569 1.823 1.00 0.00 O ATOM 1153 CB SER A 76 -9.724 -11.259 2.597 1.00 0.00 C ATOM 1154 OG SER A 76 -9.568 -12.672 2.465 1.00 0.00 O ATOM 0 H SER A 76 -9.507 -8.741 2.765 1.00 0.00 H new ATOM 0 HA SER A 76 -7.991 -10.904 3.748 1.00 0.00 H new ATOM 0 HB2 SER A 76 -10.384 -11.047 3.438 1.00 0.00 H new ATOM 0 HB3 SER A 76 -10.210 -10.866 1.704 1.00 0.00 H new ATOM 0 HG SER A 76 -9.261 -12.884 1.559 1.00 0.00 H new ATOM 1160 N GLU A 77 -7.697 -10.183 0.536 1.00 0.00 N ATOM 1161 CA GLU A 77 -6.820 -10.389 -0.558 1.00 0.00 C ATOM 1162 C GLU A 77 -5.476 -9.746 -0.368 1.00 0.00 C ATOM 1163 O GLU A 77 -4.545 -10.069 -1.106 1.00 0.00 O ATOM 1164 CB GLU A 77 -7.406 -10.076 -1.915 1.00 0.00 C ATOM 1165 CG GLU A 77 -8.381 -11.106 -2.407 1.00 0.00 C ATOM 1166 CD GLU A 77 -8.489 -11.107 -3.905 1.00 0.00 C ATOM 1167 OE1 GLU A 77 -7.436 -11.078 -4.582 1.00 0.00 O ATOM 1168 OE2 GLU A 77 -9.617 -11.070 -4.461 1.00 0.00 O ATOM 0 H GLU A 77 -8.466 -9.532 0.375 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.665 -11.468 -0.558 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.906 -9.108 -1.870 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.595 -9.982 -2.638 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.069 -12.093 -2.065 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.362 -10.913 -1.973 1.00 0.00 H new ATOM 1175 N PHE A 78 -5.352 -8.808 0.584 1.00 0.00 N ATOM 1176 CA PHE A 78 -4.046 -8.268 0.894 1.00 0.00 C ATOM 1177 C PHE A 78 -3.164 -9.381 1.314 1.00 0.00 C ATOM 1178 O PHE A 78 -2.124 -9.598 0.713 1.00 0.00 O ATOM 1179 CB PHE A 78 -4.101 -7.181 1.970 1.00 0.00 C ATOM 1180 CG PHE A 78 -2.749 -6.737 2.471 1.00 0.00 C ATOM 1181 CD1 PHE A 78 -1.889 -6.007 1.661 1.00 0.00 C ATOM 1182 CD2 PHE A 78 -2.349 -7.034 3.766 1.00 0.00 C ATOM 1183 CE1 PHE A 78 -0.661 -5.590 2.138 1.00 0.00 C ATOM 1184 CE2 PHE A 78 -1.128 -6.623 4.243 1.00 0.00 C ATOM 1185 CZ PHE A 78 -0.281 -5.897 3.433 1.00 0.00 C ATOM 0 H PHE A 78 -6.123 -8.425 1.131 1.00 0.00 H new ATOM 0 HA PHE A 78 -3.649 -7.788 -0.000 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -4.630 -6.316 1.570 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -4.685 -7.550 2.813 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -2.182 -5.763 0.651 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -3.008 -7.598 4.410 1.00 0.00 H new ATOM 0 HE1 PHE A 78 0.002 -5.025 1.500 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -0.832 -6.869 5.252 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.677 -5.569 3.808 1.00 0.00 H new ATOM 1195 N PHE A 79 -3.626 -10.130 2.295 1.00 0.00 N ATOM 1196 CA PHE A 79 -2.881 -11.238 2.834 1.00 0.00 C ATOM 1197 C PHE A 79 -2.723 -12.361 1.819 1.00 0.00 C ATOM 1198 O PHE A 79 -1.620 -12.892 1.650 1.00 0.00 O ATOM 1199 CB PHE A 79 -3.512 -11.731 4.127 1.00 0.00 C ATOM 1200 CG PHE A 79 -3.458 -10.716 5.250 1.00 0.00 C ATOM 1201 CD1 PHE A 79 -2.290 -10.503 5.958 1.00 0.00 C ATOM 1202 CD2 PHE A 79 -4.575 -9.968 5.579 1.00 0.00 C ATOM 1203 CE1 PHE A 79 -2.241 -9.564 6.974 1.00 0.00 C ATOM 1204 CE2 PHE A 79 -4.529 -9.034 6.589 1.00 0.00 C ATOM 1205 CZ PHE A 79 -3.366 -8.830 7.284 1.00 0.00 C ATOM 0 H PHE A 79 -4.532 -9.983 2.739 1.00 0.00 H new ATOM 0 HA PHE A 79 -1.877 -10.883 3.066 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -4.552 -11.996 3.937 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -3.004 -12.641 4.446 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.407 -11.075 5.716 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -5.496 -10.119 5.035 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -1.324 -9.407 7.522 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -5.411 -8.461 6.834 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.331 -8.095 8.074 1.00 0.00 H new ATOM 1215 N GLU A 80 -3.800 -12.685 1.121 1.00 0.00 N ATOM 1216 CA GLU A 80 -3.786 -13.734 0.108 1.00 0.00 C ATOM 1217 C GLU A 80 -2.751 -13.440 -0.989 1.00 0.00 C ATOM 1218 O GLU A 80 -1.893 -14.273 -1.261 1.00 0.00 O ATOM 1219 CB GLU A 80 -5.195 -13.944 -0.493 1.00 0.00 C ATOM 1220 CG GLU A 80 -6.238 -14.382 0.536 1.00 0.00 C ATOM 1221 CD GLU A 80 -7.620 -14.609 -0.048 1.00 0.00 C ATOM 1222 OE1 GLU A 80 -7.818 -15.618 -0.757 1.00 0.00 O ATOM 1223 OE2 GLU A 80 -8.538 -13.792 0.206 1.00 0.00 O ATOM 0 H GLU A 80 -4.706 -12.232 1.238 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.490 -14.662 0.597 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -5.524 -13.016 -0.960 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -5.137 -14.694 -1.282 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.900 -15.302 1.012 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.304 -13.624 1.317 1.00 0.00 H new ATOM 1230 N ASN A 81 -2.804 -12.244 -1.570 1.00 0.00 N ATOM 1231 CA ASN A 81 -1.900 -11.892 -2.681 1.00 0.00 C ATOM 1232 C ASN A 81 -0.448 -11.843 -2.283 1.00 0.00 C ATOM 1233 O ASN A 81 0.388 -12.472 -2.935 1.00 0.00 O ATOM 1234 CB ASN A 81 -2.260 -10.559 -3.388 1.00 0.00 C ATOM 1235 CG ASN A 81 -3.456 -10.620 -4.314 1.00 0.00 C ATOM 1236 OD1 ASN A 81 -3.323 -10.940 -5.482 1.00 0.00 O ATOM 1237 ND2 ASN A 81 -4.601 -10.242 -3.838 1.00 0.00 N ATOM 0 H ASN A 81 -3.453 -11.504 -1.300 1.00 0.00 H new ATOM 0 HA ASN A 81 -2.049 -12.711 -3.385 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -2.449 -9.803 -2.626 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -1.395 -10.225 -3.961 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -5.419 -10.207 -4.446 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -4.683 -9.980 -2.856 1.00 0.00 H new ATOM 1244 N CYS A 82 -0.137 -11.132 -1.219 1.00 0.00 N ATOM 1245 CA CYS A 82 1.253 -10.931 -0.852 1.00 0.00 C ATOM 1246 C CYS A 82 1.940 -12.236 -0.453 1.00 0.00 C ATOM 1247 O CYS A 82 2.965 -12.588 -1.032 1.00 0.00 O ATOM 1248 CB CYS A 82 1.397 -9.862 0.225 1.00 0.00 C ATOM 1249 SG CYS A 82 0.440 -10.184 1.710 1.00 0.00 S ATOM 0 H CYS A 82 -0.815 -10.689 -0.600 1.00 0.00 H new ATOM 0 HA CYS A 82 1.768 -10.568 -1.742 1.00 0.00 H new ATOM 0 HB2 CYS A 82 2.449 -9.774 0.496 1.00 0.00 H new ATOM 0 HB3 CYS A 82 1.093 -8.901 -0.189 1.00 0.00 H new ATOM 0 HG CYS A 82 -0.790 -9.808 1.524 1.00 0.00 H new ATOM 1255 N ARG A 83 1.327 -12.991 0.465 1.00 0.00 N ATOM 1256 CA ARG A 83 1.926 -14.249 0.969 1.00 0.00 C ATOM 1257 C ARG A 83 2.098 -15.252 -0.156 1.00 0.00 C ATOM 1258 O ARG A 83 3.129 -15.865 -0.264 1.00 0.00 O ATOM 1259 CB ARG A 83 1.063 -14.852 2.097 1.00 0.00 C ATOM 1260 CG ARG A 83 0.951 -13.963 3.315 1.00 0.00 C ATOM 1261 CD ARG A 83 2.261 -13.888 4.033 1.00 0.00 C ATOM 1262 NE ARG A 83 2.224 -12.969 5.150 1.00 0.00 N ATOM 1263 CZ ARG A 83 2.364 -13.316 6.426 1.00 0.00 C ATOM 1264 NH1 ARG A 83 2.307 -14.585 6.813 1.00 0.00 N ATOM 1265 NH2 ARG A 83 2.495 -12.398 7.317 1.00 0.00 N ATOM 0 H ARG A 83 0.422 -12.762 0.877 1.00 0.00 H new ATOM 0 HA ARG A 83 2.910 -14.014 1.375 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.064 -15.052 1.711 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.488 -15.811 2.395 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.637 -12.963 3.015 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.184 -14.350 3.986 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.534 -14.881 4.391 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.038 -13.577 3.335 1.00 0.00 H new ATOM 0 HE ARG A 83 2.080 -11.981 4.943 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.153 -15.322 6.125 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.418 -14.823 7.799 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.491 -11.416 7.042 1.00 0.00 H new ATOM 0 HH22 ARG A 83 2.603 -12.652 8.299 1.00 0.00 H new ATOM 1279 N ASP A 84 1.104 -15.357 -1.011 1.00 0.00 N ATOM 1280 CA ASP A 84 1.108 -16.298 -2.164 1.00 0.00 C ATOM 1281 C ASP A 84 2.306 -16.037 -3.062 1.00 0.00 C ATOM 1282 O ASP A 84 3.116 -16.924 -3.356 1.00 0.00 O ATOM 1283 CB ASP A 84 -0.151 -16.067 -2.980 1.00 0.00 C ATOM 1284 CG ASP A 84 -0.357 -17.089 -4.061 1.00 0.00 C ATOM 1285 OD1 ASP A 84 -0.862 -18.194 -3.749 1.00 0.00 O ATOM 1286 OD2 ASP A 84 -0.029 -16.799 -5.230 1.00 0.00 O ATOM 0 H ASP A 84 0.254 -14.798 -0.945 1.00 0.00 H new ATOM 0 HA ASP A 84 1.155 -17.319 -1.786 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -1.014 -16.075 -2.314 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -0.106 -15.076 -3.431 1.00 0.00 H new ATOM 1291 N THR A 85 2.424 -14.798 -3.410 1.00 0.00 N ATOM 1292 CA THR A 85 3.454 -14.263 -4.247 1.00 0.00 C ATOM 1293 C THR A 85 4.833 -14.372 -3.553 1.00 0.00 C ATOM 1294 O THR A 85 5.877 -14.582 -4.196 1.00 0.00 O ATOM 1295 CB THR A 85 3.068 -12.798 -4.509 1.00 0.00 C ATOM 1296 OG1 THR A 85 1.803 -12.761 -5.224 1.00 0.00 O ATOM 1297 CG2 THR A 85 4.145 -12.015 -5.247 1.00 0.00 C ATOM 0 H THR A 85 1.764 -14.086 -3.099 1.00 0.00 H new ATOM 0 HA THR A 85 3.541 -14.815 -5.183 1.00 0.00 H new ATOM 0 HB THR A 85 2.962 -12.303 -3.543 1.00 0.00 H new ATOM 0 HG1 THR A 85 1.068 -12.657 -4.584 1.00 0.00 H new ATOM 0 HG21 THR A 85 3.809 -10.989 -5.400 1.00 0.00 H new ATOM 0 HG22 THR A 85 5.062 -12.012 -4.657 1.00 0.00 H new ATOM 0 HG23 THR A 85 4.337 -12.482 -6.213 1.00 0.00 H new ATOM 1305 N ALA A 86 4.803 -14.320 -2.263 1.00 0.00 N ATOM 1306 CA ALA A 86 6.006 -14.446 -1.495 1.00 0.00 C ATOM 1307 C ALA A 86 6.446 -15.896 -1.475 1.00 0.00 C ATOM 1308 O ALA A 86 7.638 -16.179 -1.559 1.00 0.00 O ATOM 1309 CB ALA A 86 5.841 -13.902 -0.097 1.00 0.00 C ATOM 0 H ALA A 86 3.955 -14.190 -1.711 1.00 0.00 H new ATOM 0 HA ALA A 86 6.782 -13.847 -1.971 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.776 -14.017 0.451 1.00 0.00 H new ATOM 0 HB2 ALA A 86 5.577 -12.846 -0.146 1.00 0.00 H new ATOM 0 HB3 ALA A 86 5.050 -14.450 0.416 1.00 0.00 H new ATOM 1315 N LYS A 87 5.472 -16.813 -1.422 1.00 0.00 N ATOM 1316 CA LYS A 87 5.737 -18.262 -1.468 1.00 0.00 C ATOM 1317 C LYS A 87 6.357 -18.635 -2.794 1.00 0.00 C ATOM 1318 O LYS A 87 7.204 -19.521 -2.861 1.00 0.00 O ATOM 1319 CB LYS A 87 4.462 -19.082 -1.228 1.00 0.00 C ATOM 1320 CG LYS A 87 3.804 -18.772 0.100 1.00 0.00 C ATOM 1321 CD LYS A 87 2.624 -19.671 0.411 1.00 0.00 C ATOM 1322 CE LYS A 87 3.044 -21.125 0.576 1.00 0.00 C ATOM 1323 NZ LYS A 87 1.928 -21.961 1.030 1.00 0.00 N ATOM 0 H LYS A 87 4.483 -16.577 -1.346 1.00 0.00 H new ATOM 0 HA LYS A 87 6.435 -18.497 -0.665 1.00 0.00 H new ATOM 0 HB2 LYS A 87 3.754 -18.887 -2.033 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.706 -20.144 -1.268 1.00 0.00 H new ATOM 0 HG2 LYS A 87 4.544 -18.868 0.895 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.470 -17.734 0.098 1.00 0.00 H new ATOM 0 HD2 LYS A 87 2.138 -19.328 1.324 1.00 0.00 H new ATOM 0 HD3 LYS A 87 1.889 -19.594 -0.390 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.422 -21.505 -0.373 1.00 0.00 H new ATOM 0 HE3 LYS A 87 3.862 -21.189 1.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 2.250 -22.945 1.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 1.584 -21.613 1.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 1.157 -21.919 0.333 1.00 0.00 H new ATOM 1337 N ARG A 88 5.951 -17.928 -3.844 1.00 0.00 N ATOM 1338 CA ARG A 88 6.531 -18.106 -5.169 1.00 0.00 C ATOM 1339 C ARG A 88 7.964 -17.676 -5.135 1.00 0.00 C ATOM 1340 O ARG A 88 8.847 -18.381 -5.616 1.00 0.00 O ATOM 1341 CB ARG A 88 5.770 -17.317 -6.254 1.00 0.00 C ATOM 1342 CG ARG A 88 4.590 -18.040 -6.904 1.00 0.00 C ATOM 1343 CD ARG A 88 3.542 -18.517 -5.929 1.00 0.00 C ATOM 1344 NE ARG A 88 2.407 -19.087 -6.635 1.00 0.00 N ATOM 1345 CZ ARG A 88 1.354 -19.653 -6.059 1.00 0.00 C ATOM 1346 NH1 ARG A 88 1.322 -19.826 -4.751 1.00 0.00 N ATOM 1347 NH2 ARG A 88 0.315 -20.022 -6.796 1.00 0.00 N ATOM 0 H ARG A 88 5.217 -17.221 -3.801 1.00 0.00 H new ATOM 0 HA ARG A 88 6.455 -19.161 -5.431 1.00 0.00 H new ATOM 0 HB2 ARG A 88 5.404 -16.390 -5.812 1.00 0.00 H new ATOM 0 HB3 ARG A 88 6.476 -17.040 -7.036 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.121 -17.370 -7.625 1.00 0.00 H new ATOM 0 HG3 ARG A 88 4.967 -18.897 -7.463 1.00 0.00 H new ATOM 0 HD2 ARG A 88 3.972 -19.262 -5.260 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.210 -17.685 -5.308 1.00 0.00 H new ATOM 0 HE ARG A 88 2.421 -19.049 -7.654 1.00 0.00 H new ATOM 0 HH11 ARG A 88 2.109 -19.524 -4.177 1.00 0.00 H new ATOM 0 HH12 ARG A 88 0.510 -20.262 -4.314 1.00 0.00 H new ATOM 0 HH21 ARG A 88 0.326 -19.871 -7.805 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -0.495 -20.457 -6.354 1.00 0.00 H new ATOM 1361 N ASN A 89 8.210 -16.554 -4.483 1.00 0.00 N ATOM 1362 CA ASN A 89 9.550 -16.029 -4.347 1.00 0.00 C ATOM 1363 C ASN A 89 10.426 -16.944 -3.492 1.00 0.00 C ATOM 1364 O ASN A 89 11.633 -16.986 -3.679 1.00 0.00 O ATOM 1365 CB ASN A 89 9.555 -14.591 -3.776 1.00 0.00 C ATOM 1366 CG ASN A 89 8.992 -13.546 -4.744 1.00 0.00 C ATOM 1367 OD1 ASN A 89 9.061 -13.704 -5.956 1.00 0.00 O ATOM 1368 ND2 ASN A 89 8.475 -12.463 -4.225 1.00 0.00 N ATOM 0 H ASN A 89 7.489 -15.987 -4.037 1.00 0.00 H new ATOM 0 HA ASN A 89 9.972 -15.990 -5.351 1.00 0.00 H new ATOM 0 HB2 ASN A 89 8.972 -14.572 -2.855 1.00 0.00 H new ATOM 0 HB3 ASN A 89 10.577 -14.317 -3.512 1.00 0.00 H new ATOM 0 HD21 ASN A 89 8.118 -11.726 -4.833 1.00 0.00 H new ATOM 0 HD22 ASN A 89 8.429 -12.355 -3.212 1.00 0.00 H new ATOM 1375 N GLN A 90 9.807 -17.665 -2.548 1.00 0.00 N ATOM 1376 CA GLN A 90 10.543 -18.596 -1.682 1.00 0.00 C ATOM 1377 C GLN A 90 10.955 -19.818 -2.444 1.00 0.00 C ATOM 1378 O GLN A 90 12.121 -20.167 -2.460 1.00 0.00 O ATOM 1379 CB GLN A 90 9.736 -19.023 -0.415 1.00 0.00 C ATOM 1380 CG GLN A 90 9.230 -17.888 0.463 1.00 0.00 C ATOM 1381 CD GLN A 90 10.262 -16.820 0.642 1.00 0.00 C ATOM 1382 OE1 GLN A 90 10.175 -15.830 -0.177 1.00 0.00 O flip ATOM 1383 NE2 GLN A 90 11.085 -16.859 1.542 1.00 0.00 N flip ATOM 0 H GLN A 90 8.804 -17.622 -2.365 1.00 0.00 H new ATOM 0 HA GLN A 90 11.426 -18.055 -1.341 1.00 0.00 H new ATOM 0 HB2 GLN A 90 8.881 -19.618 -0.736 1.00 0.00 H new ATOM 0 HB3 GLN A 90 10.366 -19.673 0.192 1.00 0.00 H new ATOM 0 HG2 GLN A 90 8.334 -17.456 0.018 1.00 0.00 H new ATOM 0 HG3 GLN A 90 8.943 -18.283 1.438 1.00 0.00 H new ATOM 0 HE21 GLN A 90 11.118 -17.664 2.168 1.00 0.00 H new ATOM 0 HE22 GLN A 90 11.740 -16.087 1.668 1.00 0.00 H new ATOM 1392 N GLN A 91 10.005 -20.455 -3.087 1.00 0.00 N ATOM 1393 CA GLN A 91 10.276 -21.685 -3.809 1.00 0.00 C ATOM 1394 C GLN A 91 11.188 -21.459 -5.009 1.00 0.00 C ATOM 1395 O GLN A 91 12.076 -22.275 -5.271 1.00 0.00 O ATOM 1396 CB GLN A 91 8.980 -22.408 -4.221 1.00 0.00 C ATOM 1397 CG GLN A 91 8.022 -21.573 -5.047 1.00 0.00 C ATOM 1398 CD GLN A 91 6.776 -22.330 -5.445 1.00 0.00 C ATOM 1399 OE1 GLN A 91 6.736 -22.963 -6.490 1.00 0.00 O ATOM 1400 NE2 GLN A 91 5.758 -22.268 -4.623 1.00 0.00 N ATOM 0 H GLN A 91 9.034 -20.145 -3.128 1.00 0.00 H new ATOM 0 HA GLN A 91 10.809 -22.338 -3.117 1.00 0.00 H new ATOM 0 HB2 GLN A 91 9.243 -23.301 -4.788 1.00 0.00 H new ATOM 0 HB3 GLN A 91 8.465 -22.742 -3.320 1.00 0.00 H new ATOM 0 HG2 GLN A 91 7.737 -20.687 -4.479 1.00 0.00 H new ATOM 0 HG3 GLN A 91 8.532 -21.225 -5.945 1.00 0.00 H new ATOM 0 HE21 GLN A 91 5.831 -21.729 -3.760 1.00 0.00 H new ATOM 0 HE22 GLN A 91 4.892 -22.759 -4.846 1.00 0.00 H new ATOM 1409 N ALA A 92 11.011 -20.333 -5.688 1.00 0.00 N ATOM 1410 CA ALA A 92 11.818 -20.027 -6.859 1.00 0.00 C ATOM 1411 C ALA A 92 13.120 -19.363 -6.450 1.00 0.00 C ATOM 1412 O ALA A 92 14.022 -19.178 -7.267 1.00 0.00 O ATOM 1413 CB ALA A 92 11.058 -19.130 -7.818 1.00 0.00 C ATOM 0 H ALA A 92 10.320 -19.621 -5.449 1.00 0.00 H new ATOM 0 HA ALA A 92 12.045 -20.965 -7.366 1.00 0.00 H new ATOM 0 HB1 ALA A 92 11.681 -18.915 -8.686 1.00 0.00 H new ATOM 0 HB2 ALA A 92 10.147 -19.633 -8.141 1.00 0.00 H new ATOM 0 HB3 ALA A 92 10.800 -18.197 -7.316 1.00 0.00 H new ATOM 1419 N GLY A 93 13.190 -18.999 -5.179 1.00 0.00 N ATOM 1420 CA GLY A 93 14.375 -18.386 -4.606 1.00 0.00 C ATOM 1421 C GLY A 93 14.752 -17.104 -5.286 1.00 0.00 C ATOM 1422 O GLY A 93 15.903 -16.882 -5.664 1.00 0.00 O ATOM 0 H GLY A 93 12.425 -19.121 -4.516 1.00 0.00 H new ATOM 0 HA2 GLY A 93 14.203 -18.193 -3.547 1.00 0.00 H new ATOM 0 HA3 GLY A 93 15.208 -19.086 -4.672 1.00 0.00 H new ATOM 1426 N ASN A 94 13.779 -16.252 -5.420 1.00 0.00 N ATOM 1427 CA ASN A 94 13.947 -14.987 -6.106 1.00 0.00 C ATOM 1428 C ASN A 94 14.701 -13.994 -5.269 1.00 0.00 C ATOM 1429 O ASN A 94 15.129 -12.955 -5.757 1.00 0.00 O ATOM 1430 CB ASN A 94 12.593 -14.405 -6.549 1.00 0.00 C ATOM 1431 CG ASN A 94 11.947 -15.200 -7.668 1.00 0.00 C ATOM 1432 OD1 ASN A 94 12.625 -15.831 -8.464 1.00 0.00 O ATOM 1433 ND2 ASN A 94 10.647 -15.153 -7.752 1.00 0.00 N ATOM 0 H ASN A 94 12.838 -16.408 -5.058 1.00 0.00 H new ATOM 0 HA ASN A 94 14.540 -15.187 -6.998 1.00 0.00 H new ATOM 0 HB2 ASN A 94 11.918 -14.377 -5.694 1.00 0.00 H new ATOM 0 HB3 ASN A 94 12.736 -13.375 -6.877 1.00 0.00 H new ATOM 0 HD21 ASN A 94 10.166 -15.653 -8.500 1.00 0.00 H new ATOM 0 HD22 ASN A 94 10.111 -14.616 -7.070 1.00 0.00 H new ATOM 1440 N GLY A 95 14.858 -14.308 -4.012 1.00 0.00 N ATOM 1441 CA GLY A 95 15.557 -13.433 -3.110 1.00 0.00 C ATOM 1442 C GLY A 95 14.594 -12.612 -2.313 1.00 0.00 C ATOM 1443 O GLY A 95 14.949 -12.050 -1.284 1.00 0.00 O ATOM 0 H GLY A 95 14.510 -15.167 -3.587 1.00 0.00 H new ATOM 0 HA2 GLY A 95 16.183 -14.020 -2.439 1.00 0.00 H new ATOM 0 HA3 GLY A 95 16.221 -12.778 -3.674 1.00 0.00 H new ATOM 1447 N TRP A 96 13.365 -12.548 -2.773 1.00 0.00 N ATOM 1448 CA TRP A 96 12.348 -11.826 -2.072 1.00 0.00 C ATOM 1449 C TRP A 96 11.721 -12.691 -1.056 1.00 0.00 C ATOM 1450 O TRP A 96 11.768 -13.927 -1.186 1.00 0.00 O ATOM 1451 CB TRP A 96 11.342 -11.210 -3.007 1.00 0.00 C ATOM 1452 CG TRP A 96 11.978 -10.124 -3.742 1.00 0.00 C ATOM 1453 CD1 TRP A 96 12.465 -8.992 -3.191 1.00 0.00 C ATOM 1454 CD2 TRP A 96 12.231 -10.045 -5.132 1.00 0.00 C ATOM 1455 NE1 TRP A 96 13.022 -8.225 -4.128 1.00 0.00 N ATOM 1456 CE2 TRP A 96 12.892 -8.838 -5.346 1.00 0.00 C ATOM 1457 CE3 TRP A 96 11.971 -10.880 -6.222 1.00 0.00 C ATOM 1458 CZ2 TRP A 96 13.298 -8.435 -6.597 1.00 0.00 C ATOM 1459 CZ3 TRP A 96 12.375 -10.475 -7.474 1.00 0.00 C ATOM 1460 CH2 TRP A 96 13.036 -9.262 -7.652 1.00 0.00 C ATOM 0 H TRP A 96 13.052 -12.993 -3.636 1.00 0.00 H new ATOM 0 HA TRP A 96 12.817 -10.989 -1.554 1.00 0.00 H new ATOM 0 HB2 TRP A 96 10.963 -11.961 -3.700 1.00 0.00 H new ATOM 0 HB3 TRP A 96 10.487 -10.834 -2.445 1.00 0.00 H new ATOM 0 HD1 TRP A 96 12.411 -8.743 -2.141 1.00 0.00 H new ATOM 0 HE1 TRP A 96 13.473 -7.325 -3.964 1.00 0.00 H new ATOM 0 HE3 TRP A 96 11.464 -11.823 -6.085 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 13.808 -7.494 -6.741 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 12.177 -11.105 -8.328 1.00 0.00 H new ATOM 0 HH2 TRP A 96 13.348 -8.970 -8.644 1.00 0.00 H new ATOM 1471 N ASP A 97 11.132 -12.107 -0.059 1.00 0.00 N ATOM 1472 CA ASP A 97 10.695 -12.911 1.042 1.00 0.00 C ATOM 1473 C ASP A 97 9.355 -12.608 1.605 1.00 0.00 C ATOM 1474 O ASP A 97 8.849 -11.509 1.539 1.00 0.00 O ATOM 1475 CB ASP A 97 11.736 -12.994 2.154 1.00 0.00 C ATOM 1476 CG ASP A 97 12.021 -11.686 2.817 1.00 0.00 C ATOM 1477 OD1 ASP A 97 12.896 -10.937 2.328 1.00 0.00 O ATOM 1478 OD2 ASP A 97 11.420 -11.409 3.863 1.00 0.00 O ATOM 0 H ASP A 97 10.946 -11.107 0.018 1.00 0.00 H new ATOM 0 HA ASP A 97 10.578 -13.889 0.576 1.00 0.00 H new ATOM 0 HB2 ASP A 97 11.393 -13.704 2.906 1.00 0.00 H new ATOM 0 HB3 ASP A 97 12.664 -13.390 1.741 1.00 0.00 H new ATOM 1483 N PHE A 98 8.826 -13.670 2.144 1.00 0.00 N ATOM 1484 CA PHE A 98 7.594 -13.808 2.861 1.00 0.00 C ATOM 1485 C PHE A 98 7.467 -12.846 4.069 1.00 0.00 C ATOM 1486 O PHE A 98 6.390 -12.691 4.593 1.00 0.00 O ATOM 1487 CB PHE A 98 7.480 -15.322 3.201 1.00 0.00 C ATOM 1488 CG PHE A 98 6.401 -15.799 4.138 1.00 0.00 C ATOM 1489 CD1 PHE A 98 6.624 -15.862 5.504 1.00 0.00 C ATOM 1490 CD2 PHE A 98 5.183 -16.232 3.645 1.00 0.00 C ATOM 1491 CE1 PHE A 98 5.654 -16.344 6.359 1.00 0.00 C ATOM 1492 CE2 PHE A 98 4.212 -16.723 4.496 1.00 0.00 C ATOM 1493 CZ PHE A 98 4.441 -16.774 5.852 1.00 0.00 C ATOM 0 H PHE A 98 9.309 -14.566 2.082 1.00 0.00 H new ATOM 0 HA PHE A 98 6.740 -13.498 2.258 1.00 0.00 H new ATOM 0 HB2 PHE A 98 7.354 -15.858 2.260 1.00 0.00 H new ATOM 0 HB3 PHE A 98 8.436 -15.634 3.620 1.00 0.00 H new ATOM 0 HD1 PHE A 98 7.570 -15.529 5.905 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.989 -16.186 2.584 1.00 0.00 H new ATOM 0 HE1 PHE A 98 5.842 -16.385 7.422 1.00 0.00 H new ATOM 0 HE2 PHE A 98 3.270 -17.068 4.096 1.00 0.00 H new ATOM 0 HZ PHE A 98 3.677 -17.148 6.517 1.00 0.00 H new ATOM 1503 N ASP A 99 8.572 -12.301 4.569 1.00 0.00 N ATOM 1504 CA ASP A 99 8.475 -11.245 5.592 1.00 0.00 C ATOM 1505 C ASP A 99 8.370 -9.867 4.957 1.00 0.00 C ATOM 1506 O ASP A 99 7.492 -9.084 5.305 1.00 0.00 O ATOM 1507 CB ASP A 99 9.648 -11.233 6.578 1.00 0.00 C ATOM 1508 CG ASP A 99 9.658 -12.359 7.579 1.00 0.00 C ATOM 1509 OD1 ASP A 99 8.867 -12.319 8.542 1.00 0.00 O ATOM 1510 OD2 ASP A 99 10.515 -13.263 7.474 1.00 0.00 O ATOM 0 H ASP A 99 9.521 -12.557 4.298 1.00 0.00 H new ATOM 0 HA ASP A 99 7.568 -11.480 6.149 1.00 0.00 H new ATOM 0 HB2 ASP A 99 10.578 -11.264 6.011 1.00 0.00 H new ATOM 0 HB3 ASP A 99 9.637 -10.287 7.120 1.00 0.00 H new ATOM 1515 N MET A 100 9.294 -9.551 4.048 1.00 0.00 N ATOM 1516 CA MET A 100 9.335 -8.196 3.443 1.00 0.00 C ATOM 1517 C MET A 100 8.184 -7.945 2.506 1.00 0.00 C ATOM 1518 O MET A 100 7.624 -6.853 2.483 1.00 0.00 O ATOM 1519 CB MET A 100 10.675 -7.872 2.750 1.00 0.00 C ATOM 1520 CG MET A 100 11.885 -7.980 3.663 1.00 0.00 C ATOM 1521 SD MET A 100 11.774 -6.915 5.119 1.00 0.00 S ATOM 1522 CE MET A 100 13.376 -7.243 5.850 1.00 0.00 C ATOM 0 H MET A 100 10.014 -10.191 3.713 1.00 0.00 H new ATOM 0 HA MET A 100 9.238 -7.514 4.288 1.00 0.00 H new ATOM 0 HB2 MET A 100 10.808 -8.548 1.906 1.00 0.00 H new ATOM 0 HB3 MET A 100 10.628 -6.861 2.345 1.00 0.00 H new ATOM 0 HG2 MET A 100 11.998 -9.015 3.985 1.00 0.00 H new ATOM 0 HG3 MET A 100 12.782 -7.722 3.099 1.00 0.00 H new ATOM 0 HE1 MET A 100 13.483 -6.664 6.767 1.00 0.00 H new ATOM 0 HE2 MET A 100 13.461 -8.305 6.079 1.00 0.00 H new ATOM 0 HE3 MET A 100 14.161 -6.960 5.149 1.00 0.00 H new ATOM 1532 N LEU A 101 7.811 -8.932 1.743 1.00 0.00 N ATOM 1533 CA LEU A 101 6.728 -8.754 0.827 1.00 0.00 C ATOM 1534 C LEU A 101 5.472 -9.250 1.493 1.00 0.00 C ATOM 1535 O LEU A 101 5.104 -10.424 1.333 1.00 0.00 O ATOM 1536 CB LEU A 101 7.024 -9.528 -0.480 1.00 0.00 C ATOM 1537 CG LEU A 101 6.128 -9.301 -1.724 1.00 0.00 C ATOM 1538 CD1 LEU A 101 6.802 -9.919 -2.901 1.00 0.00 C ATOM 1539 CD2 LEU A 101 4.748 -9.919 -1.598 1.00 0.00 C ATOM 0 H LEU A 101 8.237 -9.859 1.738 1.00 0.00 H new ATOM 0 HA LEU A 101 6.602 -7.704 0.564 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.049 -9.298 -0.770 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.991 -10.592 -0.244 1.00 0.00 H new ATOM 0 HG LEU A 101 5.994 -8.225 -1.831 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.189 -9.772 -3.790 1.00 0.00 H new ATOM 0 HD12 LEU A 101 7.775 -9.451 -3.050 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.935 -10.986 -2.725 1.00 0.00 H new ATOM 0 HD21 LEU A 101 4.176 -9.721 -2.505 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.843 -10.996 -1.457 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.232 -9.485 -0.741 1.00 0.00 H new ATOM 1551 N THR A 102 4.876 -8.360 2.299 1.00 0.00 N ATOM 1552 CA THR A 102 3.606 -8.553 3.012 1.00 0.00 C ATOM 1553 C THR A 102 3.693 -7.749 4.330 1.00 0.00 C ATOM 1554 O THR A 102 4.616 -6.964 4.530 1.00 0.00 O ATOM 1555 CB THR A 102 3.352 -10.076 3.406 1.00 0.00 C ATOM 1556 OG1 THR A 102 2.065 -10.293 4.032 1.00 0.00 O ATOM 1557 CG2 THR A 102 4.432 -10.586 4.319 1.00 0.00 C ATOM 0 H THR A 102 5.286 -7.443 2.480 1.00 0.00 H new ATOM 0 HA THR A 102 2.796 -8.229 2.358 1.00 0.00 H new ATOM 0 HB THR A 102 3.365 -10.629 2.467 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.352 -10.126 3.381 1.00 0.00 H new ATOM 0 HG21 THR A 102 4.233 -11.628 4.572 1.00 0.00 H new ATOM 0 HG22 THR A 102 5.397 -10.512 3.818 1.00 0.00 H new ATOM 0 HG23 THR A 102 4.450 -9.989 5.231 1.00 0.00 H new ATOM 1661 N ASP A 111 12.706 -0.486 7.159 1.00 0.00 N ATOM 1662 CA ASP A 111 14.000 -0.131 6.585 1.00 0.00 C ATOM 1663 C ASP A 111 14.244 -0.789 5.218 1.00 0.00 C ATOM 1664 O ASP A 111 14.499 -0.104 4.234 1.00 0.00 O ATOM 1665 CB ASP A 111 15.126 -0.520 7.536 1.00 0.00 C ATOM 1666 CG ASP A 111 16.474 -0.096 7.023 1.00 0.00 C ATOM 1667 OD1 ASP A 111 16.768 1.103 7.059 1.00 0.00 O ATOM 1668 OD2 ASP A 111 17.260 -0.948 6.577 1.00 0.00 O ATOM 0 HA ASP A 111 13.987 0.949 6.436 1.00 0.00 H new ATOM 0 HB2 ASP A 111 14.950 -0.064 8.510 1.00 0.00 H new ATOM 0 HB3 ASP A 111 15.118 -1.600 7.683 1.00 0.00 H new ATOM 1673 N ALA A 112 14.085 -2.083 5.139 1.00 0.00 N ATOM 1674 CA ALA A 112 14.423 -2.809 3.911 1.00 0.00 C ATOM 1675 C ALA A 112 13.413 -2.568 2.813 1.00 0.00 C ATOM 1676 O ALA A 112 13.726 -2.678 1.626 1.00 0.00 O ATOM 1677 CB ALA A 112 14.539 -4.278 4.199 1.00 0.00 C ATOM 0 H ALA A 112 13.727 -2.666 5.896 1.00 0.00 H new ATOM 0 HA ALA A 112 15.382 -2.431 3.557 1.00 0.00 H new ATOM 0 HB1 ALA A 112 14.790 -4.810 3.281 1.00 0.00 H new ATOM 0 HB2 ALA A 112 15.321 -4.443 4.940 1.00 0.00 H new ATOM 0 HB3 ALA A 112 13.590 -4.649 4.585 1.00 0.00 H new ATOM 1683 N GLN A 113 12.221 -2.225 3.213 1.00 0.00 N ATOM 1684 CA GLN A 113 11.146 -1.996 2.283 1.00 0.00 C ATOM 1685 C GLN A 113 11.193 -0.553 1.767 1.00 0.00 C ATOM 1686 O GLN A 113 10.915 -0.285 0.623 1.00 0.00 O ATOM 1687 CB GLN A 113 9.820 -2.319 2.974 1.00 0.00 C ATOM 1688 CG GLN A 113 8.574 -2.381 2.071 1.00 0.00 C ATOM 1689 CD GLN A 113 7.709 -1.107 2.048 1.00 0.00 C ATOM 1690 OE1 GLN A 113 8.288 0.057 2.267 1.00 0.00 O flip ATOM 1691 NE2 GLN A 113 6.512 -1.183 1.855 1.00 0.00 N flip ATOM 0 H GLN A 113 11.965 -2.096 4.192 1.00 0.00 H new ATOM 0 HA GLN A 113 11.248 -2.647 1.415 1.00 0.00 H new ATOM 0 HB2 GLN A 113 9.923 -3.279 3.480 1.00 0.00 H new ATOM 0 HB3 GLN A 113 9.646 -1.569 3.746 1.00 0.00 H new ATOM 0 HG2 GLN A 113 8.895 -2.600 1.053 1.00 0.00 H new ATOM 0 HG3 GLN A 113 7.952 -3.216 2.396 1.00 0.00 H new ATOM 0 HE21 GLN A 113 6.079 -2.091 1.687 1.00 0.00 H new ATOM 0 HE22 GLN A 113 5.940 -0.339 1.861 1.00 0.00 H new ATOM 1700 N MET A 114 11.520 0.381 2.635 1.00 0.00 N ATOM 1701 CA MET A 114 11.629 1.788 2.255 1.00 0.00 C ATOM 1702 C MET A 114 12.836 1.993 1.340 1.00 0.00 C ATOM 1703 O MET A 114 12.864 2.892 0.507 1.00 0.00 O ATOM 1704 CB MET A 114 11.728 2.640 3.527 1.00 0.00 C ATOM 1705 CG MET A 114 11.892 4.128 3.302 1.00 0.00 C ATOM 1706 SD MET A 114 11.756 5.064 4.838 1.00 0.00 S ATOM 1707 CE MET A 114 12.987 4.284 5.884 1.00 0.00 C ATOM 0 H MET A 114 11.718 0.196 3.618 1.00 0.00 H new ATOM 0 HA MET A 114 10.744 2.098 1.699 1.00 0.00 H new ATOM 0 HB2 MET A 114 10.830 2.477 4.124 1.00 0.00 H new ATOM 0 HB3 MET A 114 12.572 2.284 4.117 1.00 0.00 H new ATOM 0 HG2 MET A 114 12.863 4.321 2.845 1.00 0.00 H new ATOM 0 HG3 MET A 114 11.134 4.474 2.599 1.00 0.00 H new ATOM 0 HE1 MET A 114 13.398 5.021 6.574 1.00 0.00 H new ATOM 0 HE2 MET A 114 12.524 3.475 6.450 1.00 0.00 H new ATOM 0 HE3 MET A 114 13.788 3.881 5.265 1.00 0.00 H new ATOM 1717 N GLN A 115 13.808 1.115 1.477 1.00 0.00 N ATOM 1718 CA GLN A 115 14.987 1.115 0.638 1.00 0.00 C ATOM 1719 C GLN A 115 14.984 -0.170 -0.144 1.00 0.00 C ATOM 1720 O GLN A 115 16.013 -0.828 -0.330 1.00 0.00 O ATOM 1721 CB GLN A 115 16.288 1.307 1.447 1.00 0.00 C ATOM 1722 CG GLN A 115 16.560 2.757 1.885 1.00 0.00 C ATOM 1723 CD GLN A 115 15.627 3.311 2.954 1.00 0.00 C ATOM 1724 OE1 GLN A 115 15.185 2.479 3.855 1.00 0.00 O flip ATOM 1725 NE2 GLN A 115 15.345 4.510 2.979 1.00 0.00 N flip ATOM 0 H GLN A 115 13.801 0.376 2.180 1.00 0.00 H new ATOM 0 HA GLN A 115 14.957 1.966 -0.043 1.00 0.00 H new ATOM 0 HB2 GLN A 115 16.246 0.675 2.334 1.00 0.00 H new ATOM 0 HB3 GLN A 115 17.129 0.958 0.847 1.00 0.00 H new ATOM 0 HG2 GLN A 115 17.584 2.819 2.255 1.00 0.00 H new ATOM 0 HG3 GLN A 115 16.499 3.400 1.007 1.00 0.00 H new ATOM 0 HE21 GLN A 115 15.708 5.134 2.258 1.00 0.00 H new ATOM 0 HE22 GLN A 115 14.749 4.878 3.720 1.00 0.00 H new ATOM 1734 N TYR A 116 13.772 -0.476 -0.600 1.00 0.00 N ATOM 1735 CA TYR A 116 13.376 -1.657 -1.358 1.00 0.00 C ATOM 1736 C TYR A 116 14.292 -2.015 -2.539 1.00 0.00 C ATOM 1737 O TYR A 116 15.134 -1.228 -3.007 1.00 0.00 O ATOM 1738 CB TYR A 116 11.974 -1.423 -1.964 1.00 0.00 C ATOM 1739 CG TYR A 116 11.918 -0.302 -3.011 1.00 0.00 C ATOM 1740 CD1 TYR A 116 11.704 1.017 -2.648 1.00 0.00 C ATOM 1741 CD2 TYR A 116 12.061 -0.584 -4.366 1.00 0.00 C ATOM 1742 CE1 TYR A 116 11.650 2.012 -3.601 1.00 0.00 C ATOM 1743 CE2 TYR A 116 12.002 0.406 -5.323 1.00 0.00 C ATOM 1744 CZ TYR A 116 11.793 1.694 -4.945 1.00 0.00 C ATOM 1745 OH TYR A 116 11.720 2.682 -5.909 1.00 0.00 O ATOM 0 H TYR A 116 12.980 0.145 -0.435 1.00 0.00 H new ATOM 0 HA TYR A 116 13.421 -2.475 -0.639 1.00 0.00 H new ATOM 0 HB2 TYR A 116 11.630 -2.350 -2.422 1.00 0.00 H new ATOM 0 HB3 TYR A 116 11.278 -1.188 -1.159 1.00 0.00 H new ATOM 0 HD1 TYR A 116 11.578 1.270 -1.606 1.00 0.00 H new ATOM 0 HD2 TYR A 116 12.223 -1.606 -4.676 1.00 0.00 H new ATOM 0 HE1 TYR A 116 11.497 3.038 -3.302 1.00 0.00 H new ATOM 0 HE2 TYR A 116 12.121 0.159 -6.368 1.00 0.00 H new ATOM 0 HH TYR A 116 11.843 2.283 -6.796 1.00 0.00 H new ATOM 1755 N ASP A 117 14.051 -3.184 -3.034 1.00 0.00 N ATOM 1756 CA ASP A 117 14.604 -3.653 -4.284 1.00 0.00 C ATOM 1757 C ASP A 117 13.464 -3.494 -5.277 1.00 0.00 C ATOM 1758 O ASP A 117 12.315 -3.700 -4.863 1.00 0.00 O ATOM 1759 CB ASP A 117 14.956 -5.126 -4.173 1.00 0.00 C ATOM 1760 CG ASP A 117 15.749 -5.611 -5.351 1.00 0.00 C ATOM 1761 OD1 ASP A 117 16.983 -5.519 -5.310 1.00 0.00 O ATOM 1762 OD2 ASP A 117 15.171 -6.077 -6.328 1.00 0.00 O ATOM 0 H ASP A 117 13.448 -3.867 -2.575 1.00 0.00 H new ATOM 0 HA ASP A 117 15.506 -3.111 -4.569 1.00 0.00 H new ATOM 0 HB2 ASP A 117 15.527 -5.293 -3.260 1.00 0.00 H new ATOM 0 HB3 ASP A 117 14.040 -5.711 -4.088 1.00 0.00 H new ATOM 1767 N PRO A 118 13.704 -3.091 -6.555 1.00 0.00 N ATOM 1768 CA PRO A 118 12.621 -2.840 -7.526 1.00 0.00 C ATOM 1769 C PRO A 118 11.541 -3.926 -7.551 1.00 0.00 C ATOM 1770 O PRO A 118 10.376 -3.622 -7.300 1.00 0.00 O ATOM 1771 CB PRO A 118 13.361 -2.775 -8.845 1.00 0.00 C ATOM 1772 CG PRO A 118 14.672 -2.196 -8.472 1.00 0.00 C ATOM 1773 CD PRO A 118 15.026 -2.801 -7.144 1.00 0.00 C ATOM 0 HA PRO A 118 12.062 -1.937 -7.278 1.00 0.00 H new ATOM 0 HB2 PRO A 118 13.470 -3.762 -9.294 1.00 0.00 H new ATOM 0 HB3 PRO A 118 12.837 -2.151 -9.570 1.00 0.00 H new ATOM 0 HG2 PRO A 118 15.429 -2.428 -9.221 1.00 0.00 H new ATOM 0 HG3 PRO A 118 14.614 -1.110 -8.403 1.00 0.00 H new ATOM 0 HD2 PRO A 118 15.625 -3.704 -7.258 1.00 0.00 H new ATOM 0 HD3 PRO A 118 15.602 -2.112 -6.526 1.00 0.00 H new ATOM 1781 N GLY A 119 11.930 -5.186 -7.821 1.00 0.00 N ATOM 1782 CA GLY A 119 10.990 -6.321 -7.753 1.00 0.00 C ATOM 1783 C GLY A 119 10.191 -6.440 -6.443 1.00 0.00 C ATOM 1784 O GLY A 119 9.058 -6.906 -6.457 1.00 0.00 O ATOM 0 H GLY A 119 12.881 -5.443 -8.086 1.00 0.00 H new ATOM 0 HA2 GLY A 119 10.286 -6.238 -8.581 1.00 0.00 H new ATOM 0 HA3 GLY A 119 11.550 -7.244 -7.902 1.00 0.00 H new ATOM 1788 N LEU A 120 10.754 -5.993 -5.338 1.00 0.00 N ATOM 1789 CA LEU A 120 10.056 -6.068 -4.062 1.00 0.00 C ATOM 1790 C LEU A 120 8.905 -5.058 -4.078 1.00 0.00 C ATOM 1791 O LEU A 120 7.750 -5.413 -3.840 1.00 0.00 O ATOM 1792 CB LEU A 120 11.016 -5.763 -2.903 1.00 0.00 C ATOM 1793 CG LEU A 120 10.396 -5.690 -1.508 1.00 0.00 C ATOM 1794 CD1 LEU A 120 9.745 -7.013 -1.110 1.00 0.00 C ATOM 1795 CD2 LEU A 120 11.436 -5.269 -0.507 1.00 0.00 C ATOM 0 H LEU A 120 11.684 -5.577 -5.293 1.00 0.00 H new ATOM 0 HA LEU A 120 9.665 -7.075 -3.916 1.00 0.00 H new ATOM 0 HB2 LEU A 120 11.792 -6.528 -2.892 1.00 0.00 H new ATOM 0 HB3 LEU A 120 11.508 -4.812 -3.108 1.00 0.00 H new ATOM 0 HG LEU A 120 9.604 -4.942 -1.524 1.00 0.00 H new ATOM 0 HD11 LEU A 120 9.315 -6.922 -0.112 1.00 0.00 H new ATOM 0 HD12 LEU A 120 8.958 -7.260 -1.823 1.00 0.00 H new ATOM 0 HD13 LEU A 120 10.496 -7.803 -1.111 1.00 0.00 H new ATOM 0 HD21 LEU A 120 10.987 -5.219 0.485 1.00 0.00 H new ATOM 0 HD22 LEU A 120 12.250 -5.994 -0.501 1.00 0.00 H new ATOM 0 HD23 LEU A 120 11.826 -4.288 -0.778 1.00 0.00 H new ATOM 1807 N PHE A 121 9.234 -3.811 -4.440 1.00 0.00 N ATOM 1808 CA PHE A 121 8.247 -2.728 -4.500 1.00 0.00 C ATOM 1809 C PHE A 121 7.187 -3.027 -5.562 1.00 0.00 C ATOM 1810 O PHE A 121 6.002 -2.772 -5.368 1.00 0.00 O ATOM 1811 CB PHE A 121 8.930 -1.384 -4.797 1.00 0.00 C ATOM 1812 CG PHE A 121 8.031 -0.193 -4.667 1.00 0.00 C ATOM 1813 CD1 PHE A 121 7.609 0.226 -3.416 1.00 0.00 C ATOM 1814 CD2 PHE A 121 7.614 0.508 -5.786 1.00 0.00 C ATOM 1815 CE1 PHE A 121 6.784 1.321 -3.283 1.00 0.00 C ATOM 1816 CE2 PHE A 121 6.790 1.602 -5.666 1.00 0.00 C ATOM 1817 CZ PHE A 121 6.373 2.013 -4.413 1.00 0.00 C ATOM 0 H PHE A 121 10.180 -3.528 -4.696 1.00 0.00 H new ATOM 0 HA PHE A 121 7.759 -2.660 -3.528 1.00 0.00 H new ATOM 0 HB2 PHE A 121 9.775 -1.262 -4.120 1.00 0.00 H new ATOM 0 HB3 PHE A 121 9.334 -1.411 -5.809 1.00 0.00 H new ATOM 0 HD1 PHE A 121 7.930 -0.311 -2.536 1.00 0.00 H new ATOM 0 HD2 PHE A 121 7.940 0.191 -6.766 1.00 0.00 H new ATOM 0 HE1 PHE A 121 6.459 1.639 -2.304 1.00 0.00 H new ATOM 0 HE2 PHE A 121 6.470 2.138 -6.547 1.00 0.00 H new ATOM 0 HZ PHE A 121 5.727 2.873 -4.314 1.00 0.00 H new ATOM 1827 N ALA A 122 7.638 -3.587 -6.657 1.00 0.00 N ATOM 1828 CA ALA A 122 6.787 -3.968 -7.782 1.00 0.00 C ATOM 1829 C ALA A 122 5.735 -4.971 -7.352 1.00 0.00 C ATOM 1830 O ALA A 122 4.528 -4.756 -7.548 1.00 0.00 O ATOM 1831 CB ALA A 122 7.641 -4.574 -8.892 1.00 0.00 C ATOM 0 H ALA A 122 8.625 -3.799 -6.805 1.00 0.00 H new ATOM 0 HA ALA A 122 6.284 -3.073 -8.148 1.00 0.00 H new ATOM 0 HB1 ALA A 122 7.003 -4.857 -9.729 1.00 0.00 H new ATOM 0 HB2 ALA A 122 8.375 -3.842 -9.227 1.00 0.00 H new ATOM 0 HB3 ALA A 122 8.156 -5.457 -8.514 1.00 0.00 H new ATOM 1837 N GLN A 123 6.183 -6.035 -6.731 1.00 0.00 N ATOM 1838 CA GLN A 123 5.309 -7.111 -6.326 1.00 0.00 C ATOM 1839 C GLN A 123 4.393 -6.688 -5.183 1.00 0.00 C ATOM 1840 O GLN A 123 3.216 -7.056 -5.172 1.00 0.00 O ATOM 1841 CB GLN A 123 6.120 -8.356 -5.954 1.00 0.00 C ATOM 1842 CG GLN A 123 6.844 -9.026 -7.124 1.00 0.00 C ATOM 1843 CD GLN A 123 5.892 -9.794 -8.045 1.00 0.00 C ATOM 1844 OE1 GLN A 123 5.657 -10.986 -7.834 1.00 0.00 O ATOM 1845 NE2 GLN A 123 5.343 -9.144 -9.041 1.00 0.00 N ATOM 0 H GLN A 123 7.164 -6.180 -6.492 1.00 0.00 H new ATOM 0 HA GLN A 123 4.673 -7.361 -7.175 1.00 0.00 H new ATOM 0 HB2 GLN A 123 6.857 -8.080 -5.200 1.00 0.00 H new ATOM 0 HB3 GLN A 123 5.451 -9.084 -5.495 1.00 0.00 H new ATOM 0 HG2 GLN A 123 7.370 -8.267 -7.703 1.00 0.00 H new ATOM 0 HG3 GLN A 123 7.598 -9.710 -6.736 1.00 0.00 H new ATOM 0 HE21 GLN A 123 5.559 -8.158 -9.187 1.00 0.00 H new ATOM 0 HE22 GLN A 123 4.699 -9.624 -9.670 1.00 0.00 H new ATOM 1854 N ILE A 124 4.905 -5.895 -4.235 1.00 0.00 N ATOM 1855 CA ILE A 124 4.064 -5.460 -3.107 1.00 0.00 C ATOM 1856 C ILE A 124 2.989 -4.489 -3.579 1.00 0.00 C ATOM 1857 O ILE A 124 1.866 -4.537 -3.103 1.00 0.00 O ATOM 1858 CB ILE A 124 4.854 -4.828 -1.906 1.00 0.00 C ATOM 1859 CG1 ILE A 124 5.591 -3.557 -2.328 1.00 0.00 C ATOM 1860 CG2 ILE A 124 5.804 -5.841 -1.289 1.00 0.00 C ATOM 1861 CD1 ILE A 124 6.320 -2.842 -1.215 1.00 0.00 C ATOM 0 H ILE A 124 5.864 -5.549 -4.220 1.00 0.00 H new ATOM 0 HA ILE A 124 3.611 -6.375 -2.725 1.00 0.00 H new ATOM 0 HB ILE A 124 4.129 -4.543 -1.144 1.00 0.00 H new ATOM 0 HG12 ILE A 124 6.309 -3.813 -3.107 1.00 0.00 H new ATOM 0 HG13 ILE A 124 4.872 -2.869 -2.772 1.00 0.00 H new ATOM 0 HG21 ILE A 124 6.340 -5.379 -0.459 1.00 0.00 H new ATOM 0 HG22 ILE A 124 5.236 -6.697 -0.923 1.00 0.00 H new ATOM 0 HG23 ILE A 124 6.519 -6.175 -2.041 1.00 0.00 H new ATOM 0 HD11 ILE A 124 6.811 -1.954 -1.613 1.00 0.00 H new ATOM 0 HD12 ILE A 124 5.608 -2.548 -0.444 1.00 0.00 H new ATOM 0 HD13 ILE A 124 7.068 -3.507 -0.784 1.00 0.00 H new ATOM 1873 N GLN A 125 3.335 -3.633 -4.543 1.00 0.00 N ATOM 1874 CA GLN A 125 2.401 -2.649 -5.086 1.00 0.00 C ATOM 1875 C GLN A 125 1.247 -3.349 -5.782 1.00 0.00 C ATOM 1876 O GLN A 125 0.071 -3.078 -5.477 1.00 0.00 O ATOM 1877 CB GLN A 125 3.101 -1.714 -6.077 1.00 0.00 C ATOM 1878 CG GLN A 125 2.235 -0.546 -6.539 1.00 0.00 C ATOM 1879 CD GLN A 125 2.834 0.211 -7.712 1.00 0.00 C ATOM 1880 OE1 GLN A 125 2.597 1.479 -7.747 1.00 0.00 O flip ATOM 1881 NE2 GLN A 125 3.537 -0.352 -8.556 1.00 0.00 N flip ATOM 0 H GLN A 125 4.263 -3.603 -4.965 1.00 0.00 H new ATOM 0 HA GLN A 125 2.020 -2.056 -4.255 1.00 0.00 H new ATOM 0 HB2 GLN A 125 4.007 -1.322 -5.614 1.00 0.00 H new ATOM 0 HB3 GLN A 125 3.412 -2.290 -6.948 1.00 0.00 H new ATOM 0 HG2 GLN A 125 1.250 -0.920 -6.820 1.00 0.00 H new ATOM 0 HG3 GLN A 125 2.089 0.142 -5.706 1.00 0.00 H new ATOM 0 HE21 GLN A 125 3.701 -1.357 -8.495 1.00 0.00 H new ATOM 0 HE22 GLN A 125 3.954 0.188 -9.315 1.00 0.00 H new ATOM 1890 N ALA A 126 1.590 -4.251 -6.703 1.00 0.00 N ATOM 1891 CA ALA A 126 0.614 -4.999 -7.463 1.00 0.00 C ATOM 1892 C ALA A 126 -0.313 -5.774 -6.536 1.00 0.00 C ATOM 1893 O ALA A 126 -1.545 -5.711 -6.669 1.00 0.00 O ATOM 1894 CB ALA A 126 1.301 -5.950 -8.438 1.00 0.00 C ATOM 0 H ALA A 126 2.557 -4.477 -6.936 1.00 0.00 H new ATOM 0 HA ALA A 126 0.017 -4.289 -8.035 1.00 0.00 H new ATOM 0 HB1 ALA A 126 0.547 -6.503 -8.999 1.00 0.00 H new ATOM 0 HB2 ALA A 126 1.921 -5.378 -9.129 1.00 0.00 H new ATOM 0 HB3 ALA A 126 1.926 -6.650 -7.884 1.00 0.00 H new ATOM 1900 N ALA A 127 0.289 -6.473 -5.568 1.00 0.00 N ATOM 1901 CA ALA A 127 -0.451 -7.263 -4.598 1.00 0.00 C ATOM 1902 C ALA A 127 -1.384 -6.401 -3.765 1.00 0.00 C ATOM 1903 O ALA A 127 -2.546 -6.784 -3.521 1.00 0.00 O ATOM 1904 CB ALA A 127 0.513 -8.048 -3.709 1.00 0.00 C ATOM 0 H ALA A 127 1.301 -6.502 -5.441 1.00 0.00 H new ATOM 0 HA ALA A 127 -1.073 -7.970 -5.146 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -0.054 -8.635 -2.987 1.00 0.00 H new ATOM 0 HB2 ALA A 127 1.116 -8.715 -4.326 1.00 0.00 H new ATOM 0 HB3 ALA A 127 1.166 -7.354 -3.179 1.00 0.00 H new ATOM 1910 N ALA A 128 -0.892 -5.235 -3.361 1.00 0.00 N ATOM 1911 CA ALA A 128 -1.633 -4.323 -2.548 1.00 0.00 C ATOM 1912 C ALA A 128 -2.833 -3.837 -3.258 1.00 0.00 C ATOM 1913 O ALA A 128 -3.886 -4.038 -2.802 1.00 0.00 O ATOM 1914 CB ALA A 128 -0.787 -3.154 -2.084 1.00 0.00 C ATOM 0 H ALA A 128 0.044 -4.908 -3.600 1.00 0.00 H new ATOM 0 HA ALA A 128 -1.948 -4.874 -1.662 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -1.393 -2.488 -1.469 1.00 0.00 H new ATOM 0 HB2 ALA A 128 0.054 -3.524 -1.498 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -0.413 -2.609 -2.951 1.00 0.00 H new ATOM 1920 N THR A 129 -2.666 -3.214 -4.383 1.00 0.00 N ATOM 1921 CA THR A 129 -3.821 -2.688 -5.107 1.00 0.00 C ATOM 1922 C THR A 129 -4.883 -3.784 -5.452 1.00 0.00 C ATOM 1923 O THR A 129 -6.123 -3.540 -5.405 1.00 0.00 O ATOM 1924 CB THR A 129 -3.376 -1.929 -6.381 1.00 0.00 C ATOM 1925 OG1 THR A 129 -2.447 -2.732 -7.152 1.00 0.00 O ATOM 1926 CG2 THR A 129 -2.695 -0.623 -6.023 1.00 0.00 C ATOM 0 H THR A 129 -1.763 -3.050 -4.829 1.00 0.00 H new ATOM 0 HA THR A 129 -4.312 -1.986 -4.433 1.00 0.00 H new ATOM 0 HB THR A 129 -4.271 -1.726 -6.969 1.00 0.00 H new ATOM 0 HG1 THR A 129 -1.574 -2.742 -6.706 1.00 0.00 H new ATOM 0 HG21 THR A 129 -2.392 -0.109 -6.935 1.00 0.00 H new ATOM 0 HG22 THR A 129 -3.387 0.007 -5.464 1.00 0.00 H new ATOM 0 HG23 THR A 129 -1.816 -0.827 -5.412 1.00 0.00 H new ATOM 1934 N LYS A 130 -4.385 -5.013 -5.680 1.00 0.00 N ATOM 1935 CA LYS A 130 -5.216 -6.101 -6.145 1.00 0.00 C ATOM 1936 C LYS A 130 -6.216 -6.379 -5.076 1.00 0.00 C ATOM 1937 O LYS A 130 -7.408 -6.402 -5.307 1.00 0.00 O ATOM 1938 CB LYS A 130 -4.345 -7.326 -6.431 1.00 0.00 C ATOM 1939 CG LYS A 130 -5.030 -8.441 -7.204 1.00 0.00 C ATOM 1940 CD LYS A 130 -5.477 -7.997 -8.598 1.00 0.00 C ATOM 1941 CE LYS A 130 -4.311 -7.555 -9.492 1.00 0.00 C ATOM 1942 NZ LYS A 130 -3.339 -8.637 -9.759 1.00 0.00 N ATOM 0 H LYS A 130 -3.405 -5.262 -5.544 1.00 0.00 H new ATOM 0 HA LYS A 130 -5.730 -5.846 -7.072 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -3.466 -7.005 -6.990 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -3.989 -7.729 -5.482 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -4.349 -9.287 -7.296 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -5.896 -8.790 -6.642 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -6.007 -8.818 -9.082 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -6.185 -7.174 -8.501 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -4.707 -7.189 -10.439 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -3.795 -6.720 -9.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -2.613 -8.296 -10.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -2.887 -8.925 -8.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -3.833 -9.452 -10.176 1.00 0.00 H new ATOM 1956 N ALA A 131 -5.683 -6.585 -3.929 1.00 0.00 N ATOM 1957 CA ALA A 131 -6.365 -6.627 -2.695 1.00 0.00 C ATOM 1958 C ALA A 131 -7.224 -5.382 -2.497 1.00 0.00 C ATOM 1959 O ALA A 131 -8.455 -5.459 -2.621 1.00 0.00 O ATOM 1960 CB ALA A 131 -5.278 -6.666 -1.689 1.00 0.00 C ATOM 0 H ALA A 131 -4.680 -6.740 -3.824 1.00 0.00 H new ATOM 0 HA ALA A 131 -7.044 -7.477 -2.626 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -5.709 -6.700 -0.689 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -4.665 -7.552 -1.850 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -4.659 -5.774 -1.787 1.00 0.00 H new ATOM 1966 N TRP A 132 -6.558 -4.233 -2.336 1.00 0.00 N ATOM 1967 CA TRP A 132 -7.143 -2.941 -1.926 1.00 0.00 C ATOM 1968 C TRP A 132 -8.026 -2.311 -2.995 1.00 0.00 C ATOM 1969 O TRP A 132 -8.149 -1.109 -3.080 1.00 0.00 O ATOM 1970 CB TRP A 132 -6.082 -1.888 -1.506 1.00 0.00 C ATOM 1971 CG TRP A 132 -5.217 -2.289 -0.377 1.00 0.00 C ATOM 1972 CD1 TRP A 132 -4.835 -3.515 -0.132 1.00 0.00 C ATOM 1973 CD2 TRP A 132 -4.628 -1.482 0.660 1.00 0.00 C ATOM 1974 NE1 TRP A 132 -3.989 -3.580 0.854 1.00 0.00 N ATOM 1975 CE2 TRP A 132 -3.842 -2.355 1.404 1.00 0.00 C ATOM 1976 CE3 TRP A 132 -4.645 -0.124 1.027 1.00 0.00 C ATOM 1977 CZ2 TRP A 132 -3.088 -1.945 2.475 1.00 0.00 C ATOM 1978 CZ3 TRP A 132 -3.905 0.258 2.093 1.00 0.00 C ATOM 1979 CH2 TRP A 132 -3.135 -0.644 2.792 1.00 0.00 C ATOM 0 H TRP A 132 -5.552 -4.170 -2.494 1.00 0.00 H new ATOM 0 HA TRP A 132 -7.752 -3.205 -1.062 1.00 0.00 H new ATOM 0 HB2 TRP A 132 -5.451 -1.667 -2.367 1.00 0.00 H new ATOM 0 HB3 TRP A 132 -6.595 -0.963 -1.241 1.00 0.00 H new ATOM 0 HD1 TRP A 132 -5.182 -4.375 -0.685 1.00 0.00 H new ATOM 0 HE1 TRP A 132 -3.510 -4.426 1.164 1.00 0.00 H new ATOM 0 HE3 TRP A 132 -5.232 0.593 0.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 -2.483 -2.641 3.038 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 -3.919 1.293 2.402 1.00 0.00 H new ATOM 0 HH2 TRP A 132 -2.547 -0.290 3.626 1.00 0.00 H new ATOM 1990 N ARG A 133 -8.562 -3.080 -3.824 1.00 0.00 N ATOM 1991 CA ARG A 133 -9.547 -2.581 -4.711 1.00 0.00 C ATOM 1992 C ARG A 133 -11.006 -3.129 -4.602 1.00 0.00 C ATOM 1993 O ARG A 133 -11.947 -2.364 -4.711 1.00 0.00 O ATOM 1994 CB ARG A 133 -9.005 -2.465 -6.139 1.00 0.00 C ATOM 1995 CG ARG A 133 -10.031 -2.129 -7.189 1.00 0.00 C ATOM 1996 CD ARG A 133 -10.777 -3.329 -7.651 1.00 0.00 C ATOM 1997 NE ARG A 133 -12.114 -2.996 -8.113 1.00 0.00 N ATOM 1998 CZ ARG A 133 -12.509 -3.187 -9.382 1.00 0.00 C ATOM 1999 NH1 ARG A 133 -11.606 -3.227 -10.361 1.00 0.00 N ATOM 2000 NH2 ARG A 133 -13.788 -3.278 -9.667 1.00 0.00 N ATOM 0 H ARG A 133 -8.347 -4.072 -3.924 1.00 0.00 H new ATOM 0 HA ARG A 133 -9.732 -1.576 -4.332 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -8.229 -1.700 -6.155 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -8.529 -3.408 -6.408 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -10.734 -1.399 -6.787 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -9.537 -1.661 -8.040 1.00 0.00 H new ATOM 0 HD2 ARG A 133 -10.224 -3.811 -8.458 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -10.844 -4.050 -6.836 1.00 0.00 H new ATOM 0 HE ARG A 133 -12.778 -2.602 -7.447 1.00 0.00 H new ATOM 0 HH11 ARG A 133 -10.615 -3.113 -10.146 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -11.905 -3.372 -11.325 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -14.483 -3.204 -8.924 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -14.087 -3.423 -10.631 1.00 0.00 H new ATOM 2014 N LYS A 134 -11.200 -4.396 -4.372 1.00 0.00 N ATOM 2015 CA LYS A 134 -12.513 -4.997 -4.754 1.00 0.00 C ATOM 2016 C LYS A 134 -13.758 -5.194 -3.847 1.00 0.00 C ATOM 2017 O LYS A 134 -14.379 -6.251 -3.930 1.00 0.00 O ATOM 2018 CB LYS A 134 -12.483 -5.980 -5.925 1.00 0.00 C ATOM 2019 CG LYS A 134 -11.307 -6.878 -5.959 1.00 0.00 C ATOM 2020 CD LYS A 134 -11.241 -7.739 -4.732 1.00 0.00 C ATOM 2021 CE LYS A 134 -9.819 -7.919 -4.380 1.00 0.00 C ATOM 2022 NZ LYS A 134 -9.063 -8.625 -5.460 1.00 0.00 N ATOM 0 H LYS A 134 -10.526 -5.032 -3.946 1.00 0.00 H new ATOM 0 HA LYS A 134 -12.786 -3.963 -4.963 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -13.386 -6.590 -5.891 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -12.516 -5.414 -6.856 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -11.355 -7.509 -6.846 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -10.396 -6.285 -6.039 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -11.782 -7.272 -3.909 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -11.713 -8.704 -4.917 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -9.365 -6.946 -4.195 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -9.743 -8.487 -3.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -8.046 -8.598 -5.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -9.379 -9.614 -5.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -9.238 -8.154 -6.371 1.00 0.00 H new ATOM 2036 N LEU A 135 -14.122 -4.276 -2.992 1.00 0.00 N ATOM 2037 CA LEU A 135 -15.456 -4.427 -2.320 1.00 0.00 C ATOM 2038 C LEU A 135 -16.510 -3.460 -2.891 1.00 0.00 C ATOM 2039 O LEU A 135 -16.344 -2.262 -2.818 1.00 0.00 O ATOM 2040 CB LEU A 135 -15.461 -4.465 -0.741 1.00 0.00 C ATOM 2041 CG LEU A 135 -14.514 -3.549 0.077 1.00 0.00 C ATOM 2042 CD1 LEU A 135 -13.105 -3.993 -0.072 1.00 0.00 C ATOM 2043 CD2 LEU A 135 -14.627 -2.088 -0.267 1.00 0.00 C ATOM 0 H LEU A 135 -13.579 -3.453 -2.732 1.00 0.00 H new ATOM 0 HA LEU A 135 -15.746 -5.444 -2.582 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -16.478 -4.244 -0.418 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -15.249 -5.492 -0.444 1.00 0.00 H new ATOM 0 HG LEU A 135 -14.833 -3.647 1.115 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -12.454 -3.339 0.509 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -13.006 -5.017 0.289 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -12.819 -3.949 -1.123 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -13.933 -1.515 0.348 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -14.385 -1.942 -1.320 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -15.645 -1.748 -0.079 1.00 0.00 H new ATOM 2055 N PRO A 136 -17.608 -3.961 -3.474 1.00 0.00 N ATOM 2056 CA PRO A 136 -18.598 -3.085 -4.104 1.00 0.00 C ATOM 2057 C PRO A 136 -19.375 -2.242 -3.079 1.00 0.00 C ATOM 2058 O PRO A 136 -19.249 -1.006 -3.010 1.00 0.00 O ATOM 2059 CB PRO A 136 -19.552 -4.045 -4.846 1.00 0.00 C ATOM 2060 CG PRO A 136 -18.972 -5.424 -4.692 1.00 0.00 C ATOM 2061 CD PRO A 136 -17.999 -5.380 -3.544 1.00 0.00 C ATOM 0 HA PRO A 136 -18.118 -2.364 -4.765 1.00 0.00 H new ATOM 0 HB2 PRO A 136 -20.556 -3.997 -4.425 1.00 0.00 H new ATOM 0 HB3 PRO A 136 -19.634 -3.774 -5.898 1.00 0.00 H new ATOM 0 HG2 PRO A 136 -19.760 -6.152 -4.499 1.00 0.00 H new ATOM 0 HG3 PRO A 136 -18.470 -5.733 -5.609 1.00 0.00 H new ATOM 0 HD2 PRO A 136 -18.460 -5.715 -2.615 1.00 0.00 H new ATOM 0 HD3 PRO A 136 -17.138 -6.024 -3.723 1.00 0.00 H new