USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 834 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 79 THR OG1 : rot -76:sc= 1.17 USER MOD Set 1.2: A 80 HIS : no HE2:sc= -4.85! C(o=-3.7!,f=-16!) USER MOD Set 2.1: A 47 TYR OH : rot -157:sc= -1.68 USER MOD Set 2.2: A 49 CYS SG : rot 172:sc= -0.273 USER MOD Set 3.1: A 22 THR OG1 : rot 180:sc= 0.0143 USER MOD Set 3.2: A 25 ASN : amide:sc= -0.0361 X(o=-0.022,f=-0.099) USER MOD Single : A 28 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 CYS SG : rot 15:sc= -1.69! USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 128:sc= 0.96 (180deg=-1.01!) USER MOD Single : A 64 ASN : amide:sc= -0.0267 X(o=-0.027,f=-0.19) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.0177 X(o=-0.018,f=0) USER MOD Single : A 73 GLN : amide:sc= -0.357 K(o=-0.36,f=-3.1!) USER MOD Single : A 75 ASN : amide:sc= -3.37! C(o=-3.4!,f=-3.1!) USER MOD Single : A 86 TYR OH : rot 136:sc= 0.0437 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -0.048 X(o=-0.048,f=-0.26) USER MOD Single : A 95 ASN : amide:sc= -0.0235 X(o=-0.024,f=-0.024) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 140:sc= 0 USER MOD Single : A 99 HIS : no HE2:sc= -0.615 K(o=-0.62,f=-2.8) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 CYS SG : rot 175:sc= -1.59! USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot 14:sc= -0.961! USER MOD Single : A 126 HIS : no HD1:sc= 0.0935 K(o=0.094,f=-0.41) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 258 N PRO A 21 1.376 9.936 6.149 1.00 0.00 N ATOM 259 CA PRO A 21 1.378 8.903 5.127 1.00 0.00 C ATOM 260 C PRO A 21 0.705 7.626 5.636 1.00 0.00 C ATOM 261 O PRO A 21 1.310 6.555 5.627 1.00 0.00 O ATOM 262 CB PRO A 21 2.843 8.702 4.775 1.00 0.00 C ATOM 263 CG PRO A 21 3.635 9.289 5.933 1.00 0.00 C ATOM 264 CD PRO A 21 2.683 10.128 6.770 1.00 0.00 C ATOM 0 HA PRO A 21 0.804 9.184 4.244 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.071 7.644 4.642 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.092 9.202 3.839 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.075 8.495 6.536 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.458 9.901 5.562 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.679 9.803 7.810 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.973 11.179 6.766 1.00 0.00 H new ATOM 272 N THR A 22 -0.538 7.783 6.067 1.00 0.00 N ATOM 273 CA THR A 22 -1.300 6.656 6.579 1.00 0.00 C ATOM 274 C THR A 22 -2.492 6.360 5.666 1.00 0.00 C ATOM 275 O THR A 22 -2.968 7.243 4.955 1.00 0.00 O ATOM 276 CB THR A 22 -1.702 6.973 8.020 1.00 0.00 C ATOM 277 OG1 THR A 22 -2.151 8.324 7.966 1.00 0.00 O ATOM 278 CG2 THR A 22 -0.501 7.017 8.968 1.00 0.00 C ATOM 0 H THR A 22 -1.036 8.673 6.072 1.00 0.00 H new ATOM 0 HA THR A 22 -0.702 5.745 6.587 1.00 0.00 H new ATOM 0 HB THR A 22 -2.413 6.225 8.371 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.433 8.611 8.860 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.843 7.246 9.978 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.000 6.049 8.965 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.196 7.787 8.637 1.00 0.00 H new ATOM 286 N LEU A 23 -2.939 5.114 5.717 1.00 0.00 N ATOM 287 CA LEU A 23 -4.066 4.690 4.903 1.00 0.00 C ATOM 288 C LEU A 23 -5.221 5.678 5.085 1.00 0.00 C ATOM 289 O LEU A 23 -5.697 6.267 4.116 1.00 0.00 O ATOM 290 CB LEU A 23 -4.441 3.241 5.220 1.00 0.00 C ATOM 291 CG LEU A 23 -4.523 2.292 4.023 1.00 0.00 C ATOM 292 CD1 LEU A 23 -5.539 2.794 2.995 1.00 0.00 C ATOM 293 CD2 LEU A 23 -3.142 2.070 3.403 1.00 0.00 C ATOM 0 H LEU A 23 -2.542 4.385 6.309 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.799 4.702 3.846 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.710 2.843 5.924 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.406 3.239 5.727 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.875 1.324 4.378 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.578 2.102 2.154 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.524 2.858 3.458 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.240 3.780 2.639 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.229 1.392 2.554 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.737 3.024 3.065 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.474 1.636 4.147 1.00 0.00 H new ATOM 305 N GLU A 24 -5.637 5.828 6.334 1.00 0.00 N ATOM 306 CA GLU A 24 -6.727 6.735 6.655 1.00 0.00 C ATOM 307 C GLU A 24 -6.641 7.995 5.792 1.00 0.00 C ATOM 308 O GLU A 24 -7.662 8.600 5.468 1.00 0.00 O ATOM 309 CB GLU A 24 -6.724 7.089 8.144 1.00 0.00 C ATOM 310 CG GLU A 24 -7.178 5.898 8.992 1.00 0.00 C ATOM 311 CD GLU A 24 -7.153 6.245 10.481 1.00 0.00 C ATOM 312 OE1 GLU A 24 -8.179 6.778 10.957 1.00 0.00 O ATOM 313 OE2 GLU A 24 -6.109 5.970 11.111 1.00 0.00 O ATOM 0 H GLU A 24 -5.240 5.337 7.135 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.669 6.232 6.436 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.723 7.395 8.447 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.384 7.938 8.321 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.186 5.603 8.701 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.528 5.044 8.803 1.00 0.00 H new ATOM 320 N ASN A 25 -5.414 8.353 5.443 1.00 0.00 N ATOM 321 CA ASN A 25 -5.182 9.530 4.624 1.00 0.00 C ATOM 322 C ASN A 25 -4.348 9.139 3.402 1.00 0.00 C ATOM 323 O ASN A 25 -3.308 9.741 3.138 1.00 0.00 O ATOM 324 CB ASN A 25 -4.411 10.599 5.400 1.00 0.00 C ATOM 325 CG ASN A 25 -4.897 10.681 6.849 1.00 0.00 C ATOM 326 OD1 ASN A 25 -6.080 10.789 7.129 1.00 0.00 O ATOM 327 ND2 ASN A 25 -3.921 10.625 7.751 1.00 0.00 N ATOM 0 H ASN A 25 -4.570 7.848 5.713 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.151 9.930 4.327 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.346 10.369 5.382 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.536 11.567 4.915 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -4.142 10.673 8.746 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -2.951 10.534 7.448 1.00 0.00 H new ATOM 334 N LEU A 26 -4.835 8.134 2.690 1.00 0.00 N ATOM 335 CA LEU A 26 -4.147 7.656 1.503 1.00 0.00 C ATOM 336 C LEU A 26 -4.466 8.581 0.326 1.00 0.00 C ATOM 337 O LEU A 26 -3.573 8.958 -0.431 1.00 0.00 O ATOM 338 CB LEU A 26 -4.488 6.187 1.240 1.00 0.00 C ATOM 339 CG LEU A 26 -3.346 5.317 0.713 1.00 0.00 C ATOM 340 CD1 LEU A 26 -3.865 3.958 0.240 1.00 0.00 C ATOM 341 CD2 LEU A 26 -2.563 6.044 -0.382 1.00 0.00 C ATOM 0 H LEU A 26 -5.698 7.637 2.912 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.068 7.687 1.651 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.854 5.748 2.168 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.308 6.148 0.523 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.653 5.129 1.534 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.033 3.359 -0.130 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.342 3.441 1.072 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.591 4.104 -0.560 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.757 5.403 -0.739 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.231 6.282 -1.210 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.143 6.965 0.022 1.00 0.00 H new ATOM 353 N GLU A 27 -5.742 8.920 0.210 1.00 0.00 N ATOM 354 CA GLU A 27 -6.189 9.793 -0.861 1.00 0.00 C ATOM 355 C GLU A 27 -5.471 11.142 -0.781 1.00 0.00 C ATOM 356 O GLU A 27 -5.328 11.834 -1.788 1.00 0.00 O ATOM 357 CB GLU A 27 -7.708 9.978 -0.819 1.00 0.00 C ATOM 358 CG GLU A 27 -8.426 8.724 -1.321 1.00 0.00 C ATOM 359 CD GLU A 27 -9.512 9.084 -2.338 1.00 0.00 C ATOM 360 OE1 GLU A 27 -10.183 10.113 -2.110 1.00 0.00 O ATOM 361 OE2 GLU A 27 -9.646 8.321 -3.319 1.00 0.00 O ATOM 0 H GLU A 27 -6.480 8.606 0.840 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.938 9.325 -1.813 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.023 10.198 0.201 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.991 10.834 -1.432 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.705 8.046 -1.778 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.872 8.194 -0.479 1.00 0.00 H new ATOM 368 N ASN A 28 -5.037 11.475 0.425 1.00 0.00 N ATOM 369 CA ASN A 28 -4.336 12.728 0.649 1.00 0.00 C ATOM 370 C ASN A 28 -2.948 12.436 1.222 1.00 0.00 C ATOM 371 O ASN A 28 -2.443 13.191 2.052 1.00 0.00 O ATOM 372 CB ASN A 28 -5.086 13.606 1.653 1.00 0.00 C ATOM 373 CG ASN A 28 -6.406 14.108 1.064 1.00 0.00 C ATOM 374 OD1 ASN A 28 -6.583 14.201 -0.140 1.00 0.00 O ATOM 375 ND2 ASN A 28 -7.320 14.424 1.977 1.00 0.00 N ATOM 0 H ASN A 28 -5.157 10.899 1.258 1.00 0.00 H new ATOM 0 HA ASN A 28 -4.265 13.250 -0.305 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -5.282 13.038 2.563 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -4.463 14.455 1.935 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -8.235 14.768 1.685 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -7.106 14.322 2.969 1.00 0.00 H new ATOM 382 N LEU A 29 -2.370 11.339 0.756 1.00 0.00 N ATOM 383 CA LEU A 29 -1.049 10.938 1.211 1.00 0.00 C ATOM 384 C LEU A 29 0.004 11.467 0.236 1.00 0.00 C ATOM 385 O LEU A 29 -0.044 11.171 -0.957 1.00 0.00 O ATOM 386 CB LEU A 29 -0.990 9.423 1.417 1.00 0.00 C ATOM 387 CG LEU A 29 0.311 8.738 0.993 1.00 0.00 C ATOM 388 CD1 LEU A 29 0.419 8.663 -0.531 1.00 0.00 C ATOM 389 CD2 LEU A 29 1.523 9.429 1.621 1.00 0.00 C ATOM 0 H LEU A 29 -2.792 10.715 0.068 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.832 11.378 2.185 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.160 9.213 2.473 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.813 8.969 0.865 1.00 0.00 H new ATOM 0 HG LEU A 29 0.296 7.714 1.365 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.352 8.172 -0.806 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.421 8.093 -0.928 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.403 9.670 -0.947 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.435 8.923 1.304 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.555 10.470 1.300 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.444 9.387 2.707 1.00 0.00 H new ATOM 401 N ASP A 30 0.932 12.242 0.780 1.00 0.00 N ATOM 402 CA ASP A 30 1.995 12.815 -0.027 1.00 0.00 C ATOM 403 C ASP A 30 3.080 11.761 -0.257 1.00 0.00 C ATOM 404 O ASP A 30 4.061 11.703 0.484 1.00 0.00 O ATOM 405 CB ASP A 30 2.639 14.010 0.678 1.00 0.00 C ATOM 406 CG ASP A 30 3.813 14.646 -0.068 1.00 0.00 C ATOM 407 OD1 ASP A 30 4.002 14.279 -1.247 1.00 0.00 O ATOM 408 OD2 ASP A 30 4.496 15.485 0.559 1.00 0.00 O ATOM 0 H ASP A 30 0.969 12.486 1.770 1.00 0.00 H new ATOM 0 HA ASP A 30 1.561 13.144 -0.971 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.876 14.771 0.840 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.984 13.690 1.661 1.00 0.00 H new ATOM 413 N VAL A 31 2.868 10.954 -1.286 1.00 0.00 N ATOM 414 CA VAL A 31 3.816 9.906 -1.623 1.00 0.00 C ATOM 415 C VAL A 31 5.207 10.519 -1.800 1.00 0.00 C ATOM 416 O VAL A 31 6.213 9.885 -1.486 1.00 0.00 O ATOM 417 CB VAL A 31 3.336 9.144 -2.860 1.00 0.00 C ATOM 418 CG1 VAL A 31 2.903 10.110 -3.964 1.00 0.00 C ATOM 419 CG2 VAL A 31 4.414 8.183 -3.364 1.00 0.00 C ATOM 0 H VAL A 31 2.053 11.005 -1.898 1.00 0.00 H new ATOM 0 HA VAL A 31 3.883 9.178 -0.815 1.00 0.00 H new ATOM 0 HB VAL A 31 2.467 8.552 -2.573 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.566 9.543 -4.832 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.088 10.736 -3.601 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.746 10.740 -4.247 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.047 7.654 -4.244 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.310 8.746 -3.626 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.654 7.463 -2.582 1.00 0.00 H new ATOM 429 N SER A 32 5.218 11.745 -2.302 1.00 0.00 N ATOM 430 CA SER A 32 6.469 12.450 -2.525 1.00 0.00 C ATOM 431 C SER A 32 7.128 12.783 -1.185 1.00 0.00 C ATOM 432 O SER A 32 8.267 13.245 -1.147 1.00 0.00 O ATOM 433 CB SER A 32 6.243 13.727 -3.337 1.00 0.00 C ATOM 434 OG SER A 32 7.182 13.855 -4.402 1.00 0.00 O ATOM 0 H SER A 32 4.381 12.268 -2.561 1.00 0.00 H new ATOM 0 HA SER A 32 7.131 11.800 -3.097 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.232 13.724 -3.744 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.320 14.593 -2.680 1.00 0.00 H new ATOM 0 HG SER A 32 7.004 14.681 -4.898 1.00 0.00 H new ATOM 440 N ALA A 33 6.383 12.535 -0.117 1.00 0.00 N ATOM 441 CA ALA A 33 6.880 12.803 1.221 1.00 0.00 C ATOM 442 C ALA A 33 7.891 11.722 1.610 1.00 0.00 C ATOM 443 O ALA A 33 8.968 12.029 2.119 1.00 0.00 O ATOM 444 CB ALA A 33 5.704 12.879 2.197 1.00 0.00 C ATOM 0 H ALA A 33 5.439 12.151 -0.152 1.00 0.00 H new ATOM 0 HA ALA A 33 7.394 13.764 1.254 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.077 13.080 3.201 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.030 13.680 1.893 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.166 11.931 2.193 1.00 0.00 H new ATOM 450 N PHE A 34 7.509 10.479 1.355 1.00 0.00 N ATOM 451 CA PHE A 34 8.368 9.352 1.673 1.00 0.00 C ATOM 452 C PHE A 34 9.793 9.590 1.169 1.00 0.00 C ATOM 453 O PHE A 34 10.018 9.710 -0.035 1.00 0.00 O ATOM 454 CB PHE A 34 7.786 8.130 0.959 1.00 0.00 C ATOM 455 CG PHE A 34 6.397 7.723 1.457 1.00 0.00 C ATOM 456 CD1 PHE A 34 6.232 7.295 2.737 1.00 0.00 C ATOM 457 CD2 PHE A 34 5.328 7.789 0.619 1.00 0.00 C ATOM 458 CE1 PHE A 34 4.944 6.917 3.199 1.00 0.00 C ATOM 459 CE2 PHE A 34 4.040 7.411 1.080 1.00 0.00 C ATOM 460 CZ PHE A 34 3.875 6.983 2.361 1.00 0.00 C ATOM 0 H PHE A 34 6.616 10.228 0.932 1.00 0.00 H new ATOM 0 HA PHE A 34 8.411 9.210 2.753 1.00 0.00 H new ATOM 0 HB2 PHE A 34 7.731 8.338 -0.110 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.467 7.289 1.086 1.00 0.00 H new ATOM 0 HD1 PHE A 34 7.081 7.243 3.402 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.459 8.129 -0.398 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.813 6.577 4.216 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.191 7.463 0.414 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.895 6.696 2.712 1.00 0.00 H new ATOM 470 N GLN A 35 10.719 9.652 2.115 1.00 0.00 N ATOM 471 CA GLN A 35 12.116 9.874 1.782 1.00 0.00 C ATOM 472 C GLN A 35 12.763 8.569 1.314 1.00 0.00 C ATOM 473 O GLN A 35 13.943 8.548 0.964 1.00 0.00 O ATOM 474 CB GLN A 35 12.875 10.467 2.970 1.00 0.00 C ATOM 475 CG GLN A 35 12.083 11.608 3.613 1.00 0.00 C ATOM 476 CD GLN A 35 12.660 12.968 3.216 1.00 0.00 C ATOM 477 OE1 GLN A 35 12.115 13.687 2.395 1.00 0.00 O ATOM 478 NE2 GLN A 35 13.791 13.279 3.843 1.00 0.00 N ATOM 0 H GLN A 35 10.529 9.552 3.112 1.00 0.00 H new ATOM 0 HA GLN A 35 12.165 10.595 0.966 1.00 0.00 H new ATOM 0 HB2 GLN A 35 13.065 9.689 3.710 1.00 0.00 H new ATOM 0 HB3 GLN A 35 13.846 10.835 2.639 1.00 0.00 H new ATOM 0 HG2 GLN A 35 11.039 11.549 3.306 1.00 0.00 H new ATOM 0 HG3 GLN A 35 12.103 11.503 4.698 1.00 0.00 H new ATOM 0 HE21 GLN A 35 14.194 12.631 4.520 1.00 0.00 H new ATOM 0 HE22 GLN A 35 14.255 14.166 3.647 1.00 0.00 H new ATOM 487 N ALA A 36 11.964 7.512 1.323 1.00 0.00 N ATOM 488 CA ALA A 36 12.445 6.207 0.903 1.00 0.00 C ATOM 489 C ALA A 36 13.295 6.363 -0.359 1.00 0.00 C ATOM 490 O ALA A 36 13.252 7.402 -1.016 1.00 0.00 O ATOM 491 CB ALA A 36 11.255 5.268 0.693 1.00 0.00 C ATOM 0 H ALA A 36 10.987 7.533 1.615 1.00 0.00 H new ATOM 0 HA ALA A 36 13.077 5.765 1.673 1.00 0.00 H new ATOM 0 HB1 ALA A 36 11.615 4.289 0.378 1.00 0.00 H new ATOM 0 HB2 ALA A 36 10.701 5.168 1.627 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.599 5.678 -0.075 1.00 0.00 H new ATOM 497 N PRO A 37 14.067 5.287 -0.669 1.00 0.00 N ATOM 498 CA PRO A 37 14.925 5.294 -1.841 1.00 0.00 C ATOM 499 C PRO A 37 14.106 5.118 -3.121 1.00 0.00 C ATOM 500 O PRO A 37 12.997 4.588 -3.085 1.00 0.00 O ATOM 501 CB PRO A 37 15.916 4.165 -1.610 1.00 0.00 C ATOM 502 CG PRO A 37 15.293 3.274 -0.548 1.00 0.00 C ATOM 503 CD PRO A 37 14.143 4.039 0.086 1.00 0.00 C ATOM 0 HA PRO A 37 15.446 6.242 -1.975 1.00 0.00 H new ATOM 0 HB2 PRO A 37 16.096 3.609 -2.530 1.00 0.00 H new ATOM 0 HB3 PRO A 37 16.879 4.553 -1.279 1.00 0.00 H new ATOM 0 HG2 PRO A 37 14.935 2.345 -0.991 1.00 0.00 H new ATOM 0 HG3 PRO A 37 16.033 3.003 0.205 1.00 0.00 H new ATOM 0 HD2 PRO A 37 13.210 3.479 0.020 1.00 0.00 H new ATOM 0 HD3 PRO A 37 14.328 4.227 1.144 1.00 0.00 H new ATOM 511 N GLU A 38 14.685 5.574 -4.223 1.00 0.00 N ATOM 512 CA GLU A 38 14.023 5.474 -5.512 1.00 0.00 C ATOM 513 C GLU A 38 14.048 4.027 -6.011 1.00 0.00 C ATOM 514 O GLU A 38 13.488 3.720 -7.062 1.00 0.00 O ATOM 515 CB GLU A 38 14.664 6.416 -6.533 1.00 0.00 C ATOM 516 CG GLU A 38 14.027 7.806 -6.470 1.00 0.00 C ATOM 517 CD GLU A 38 13.313 8.142 -7.781 1.00 0.00 C ATOM 518 OE1 GLU A 38 14.022 8.546 -8.727 1.00 0.00 O ATOM 519 OE2 GLU A 38 12.073 7.986 -7.807 1.00 0.00 O ATOM 0 H GLU A 38 15.605 6.013 -4.249 1.00 0.00 H new ATOM 0 HA GLU A 38 12.984 5.778 -5.388 1.00 0.00 H new ATOM 0 HB2 GLU A 38 15.734 6.493 -6.341 1.00 0.00 H new ATOM 0 HB3 GLU A 38 14.549 6.004 -7.536 1.00 0.00 H new ATOM 0 HG2 GLU A 38 13.317 7.847 -5.644 1.00 0.00 H new ATOM 0 HG3 GLU A 38 14.795 8.553 -6.268 1.00 0.00 H new ATOM 526 N ASP A 39 14.702 3.178 -5.233 1.00 0.00 N ATOM 527 CA ASP A 39 14.807 1.771 -5.582 1.00 0.00 C ATOM 528 C ASP A 39 14.320 0.921 -4.408 1.00 0.00 C ATOM 529 O ASP A 39 14.659 -0.257 -4.307 1.00 0.00 O ATOM 530 CB ASP A 39 16.258 1.384 -5.876 1.00 0.00 C ATOM 531 CG ASP A 39 17.140 2.523 -6.392 1.00 0.00 C ATOM 532 OD1 ASP A 39 17.044 2.810 -7.605 1.00 0.00 O ATOM 533 OD2 ASP A 39 17.889 3.081 -5.562 1.00 0.00 O ATOM 0 H ASP A 39 15.165 3.437 -4.362 1.00 0.00 H new ATOM 0 HA ASP A 39 14.200 1.598 -6.470 1.00 0.00 H new ATOM 0 HB2 ASP A 39 16.703 0.984 -4.965 1.00 0.00 H new ATOM 0 HB3 ASP A 39 16.262 0.580 -6.612 1.00 0.00 H new ATOM 538 N LEU A 40 13.531 1.551 -3.550 1.00 0.00 N ATOM 539 CA LEU A 40 12.993 0.866 -2.386 1.00 0.00 C ATOM 540 C LEU A 40 12.591 -0.557 -2.778 1.00 0.00 C ATOM 541 O LEU A 40 13.085 -1.526 -2.203 1.00 0.00 O ATOM 542 CB LEU A 40 11.854 1.678 -1.766 1.00 0.00 C ATOM 543 CG LEU A 40 11.189 1.066 -0.531 1.00 0.00 C ATOM 544 CD1 LEU A 40 12.226 0.744 0.547 1.00 0.00 C ATOM 545 CD2 LEU A 40 10.075 1.972 -0.003 1.00 0.00 C ATOM 0 H LEU A 40 13.251 2.528 -3.637 1.00 0.00 H new ATOM 0 HA LEU A 40 13.753 0.781 -1.609 1.00 0.00 H new ATOM 0 HB2 LEU A 40 12.240 2.661 -1.497 1.00 0.00 H new ATOM 0 HB3 LEU A 40 11.089 1.833 -2.527 1.00 0.00 H new ATOM 0 HG LEU A 40 10.726 0.124 -0.824 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.727 0.310 1.414 1.00 0.00 H new ATOM 0 HD12 LEU A 40 12.952 0.033 0.153 1.00 0.00 H new ATOM 0 HD13 LEU A 40 12.739 1.659 0.844 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.619 1.514 0.875 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.493 2.941 0.269 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.319 2.107 -0.776 1.00 0.00 H new ATOM 557 N LEU A 41 11.699 -0.639 -3.754 1.00 0.00 N ATOM 558 CA LEU A 41 11.225 -1.928 -4.229 1.00 0.00 C ATOM 559 C LEU A 41 11.827 -2.211 -5.607 1.00 0.00 C ATOM 560 O LEU A 41 11.101 -2.322 -6.594 1.00 0.00 O ATOM 561 CB LEU A 41 9.697 -1.980 -4.203 1.00 0.00 C ATOM 562 CG LEU A 41 9.009 -1.010 -3.239 1.00 0.00 C ATOM 563 CD1 LEU A 41 7.612 -0.639 -3.739 1.00 0.00 C ATOM 564 CD2 LEU A 41 8.977 -1.579 -1.819 1.00 0.00 C ATOM 0 H LEU A 41 11.292 0.167 -4.229 1.00 0.00 H new ATOM 0 HA LEU A 41 11.559 -2.725 -3.565 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.329 -1.782 -5.210 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.392 -2.994 -3.946 1.00 0.00 H new ATOM 0 HG LEU A 41 9.593 -0.091 -3.205 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.145 0.051 -3.036 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.690 -0.163 -4.717 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.004 -1.540 -3.821 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.483 -0.870 -1.154 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.429 -2.521 -1.817 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.996 -1.751 -1.473 1.00 0.00 H new ATOM 576 N ASP A 42 13.147 -2.320 -5.630 1.00 0.00 N ATOM 577 CA ASP A 42 13.854 -2.588 -6.871 1.00 0.00 C ATOM 578 C ASP A 42 13.481 -3.983 -7.374 1.00 0.00 C ATOM 579 O ASP A 42 13.626 -4.968 -6.651 1.00 0.00 O ATOM 580 CB ASP A 42 15.369 -2.551 -6.661 1.00 0.00 C ATOM 581 CG ASP A 42 16.185 -3.325 -7.698 1.00 0.00 C ATOM 582 OD1 ASP A 42 16.351 -4.547 -7.493 1.00 0.00 O ATOM 583 OD2 ASP A 42 16.625 -2.677 -8.672 1.00 0.00 O ATOM 0 H ASP A 42 13.746 -2.228 -4.809 1.00 0.00 H new ATOM 0 HA ASP A 42 13.571 -1.821 -7.592 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.696 -1.511 -6.666 1.00 0.00 H new ATOM 0 HB3 ASP A 42 15.593 -2.951 -5.672 1.00 0.00 H new ATOM 588 N GLY A 43 13.006 -4.024 -8.611 1.00 0.00 N ATOM 589 CA GLY A 43 12.611 -5.283 -9.220 1.00 0.00 C ATOM 590 C GLY A 43 11.612 -6.030 -8.334 1.00 0.00 C ATOM 591 O GLY A 43 11.672 -7.254 -8.220 1.00 0.00 O ATOM 0 H GLY A 43 12.886 -3.205 -9.208 1.00 0.00 H new ATOM 0 HA2 GLY A 43 12.166 -5.095 -10.197 1.00 0.00 H new ATOM 0 HA3 GLY A 43 13.492 -5.904 -9.385 1.00 0.00 H new ATOM 595 N CYS A 44 10.717 -5.264 -7.728 1.00 0.00 N ATOM 596 CA CYS A 44 9.707 -5.838 -6.856 1.00 0.00 C ATOM 597 C CYS A 44 8.341 -5.662 -7.522 1.00 0.00 C ATOM 598 O CYS A 44 7.799 -4.559 -7.554 1.00 0.00 O ATOM 599 CB CYS A 44 9.745 -5.215 -5.459 1.00 0.00 C ATOM 600 SG CYS A 44 11.465 -5.188 -4.832 1.00 0.00 S ATOM 0 H CYS A 44 10.670 -4.250 -7.824 1.00 0.00 H new ATOM 0 HA CYS A 44 9.907 -6.900 -6.714 1.00 0.00 H new ATOM 0 HB2 CYS A 44 9.346 -4.201 -5.493 1.00 0.00 H new ATOM 0 HB3 CYS A 44 9.111 -5.785 -4.780 1.00 0.00 H new ATOM 0 HG CYS A 44 12.288 -5.404 -5.814 1.00 0.00 H new ATOM 606 N ARG A 45 7.824 -6.768 -8.038 1.00 0.00 N ATOM 607 CA ARG A 45 6.531 -6.750 -8.702 1.00 0.00 C ATOM 608 C ARG A 45 5.412 -7.013 -7.692 1.00 0.00 C ATOM 609 O ARG A 45 5.298 -8.116 -7.160 1.00 0.00 O ATOM 610 CB ARG A 45 6.466 -7.802 -9.810 1.00 0.00 C ATOM 611 CG ARG A 45 7.264 -7.356 -11.037 1.00 0.00 C ATOM 612 CD ARG A 45 7.275 -8.447 -12.110 1.00 0.00 C ATOM 613 NE ARG A 45 8.423 -9.356 -11.895 1.00 0.00 N ATOM 614 CZ ARG A 45 9.679 -9.082 -12.273 1.00 0.00 C ATOM 615 NH1 ARG A 45 9.957 -7.924 -12.886 1.00 0.00 N ATOM 616 NH2 ARG A 45 10.657 -9.967 -12.037 1.00 0.00 N ATOM 0 H ARG A 45 8.277 -7.682 -8.010 1.00 0.00 H new ATOM 0 HA ARG A 45 6.400 -5.763 -9.146 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.859 -8.749 -9.441 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.427 -7.976 -10.091 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.830 -6.443 -11.446 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.287 -7.119 -10.744 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.343 -9.011 -12.077 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.339 -7.995 -13.100 1.00 0.00 H new ATOM 0 HE ARG A 45 8.247 -10.247 -11.430 1.00 0.00 H new ATOM 0 HH11 ARG A 45 9.212 -7.250 -13.065 1.00 0.00 H new ATOM 0 HH12 ARG A 45 10.913 -7.716 -13.174 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.445 -10.849 -11.570 1.00 0.00 H new ATOM 0 HH22 ARG A 45 11.613 -9.759 -12.325 1.00 0.00 H new ATOM 630 N ILE A 46 4.615 -5.981 -7.458 1.00 0.00 N ATOM 631 CA ILE A 46 3.509 -6.087 -6.521 1.00 0.00 C ATOM 632 C ILE A 46 2.188 -6.022 -7.289 1.00 0.00 C ATOM 633 O ILE A 46 2.109 -5.392 -8.343 1.00 0.00 O ATOM 634 CB ILE A 46 3.635 -5.030 -5.422 1.00 0.00 C ATOM 635 CG1 ILE A 46 5.068 -4.959 -4.891 1.00 0.00 C ATOM 636 CG2 ILE A 46 2.620 -5.278 -4.304 1.00 0.00 C ATOM 637 CD1 ILE A 46 5.667 -3.569 -5.116 1.00 0.00 C ATOM 0 H ILE A 46 4.713 -5.067 -7.901 1.00 0.00 H new ATOM 0 HA ILE A 46 3.533 -7.049 -6.010 1.00 0.00 H new ATOM 0 HB ILE A 46 3.404 -4.057 -5.856 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.078 -5.195 -3.827 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.682 -5.709 -5.390 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.731 -4.513 -3.536 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.611 -5.238 -4.713 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.795 -6.260 -3.865 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.686 -3.545 -4.730 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.678 -3.346 -6.183 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.064 -2.825 -4.596 1.00 0.00 H new ATOM 649 N TYR A 47 1.182 -6.681 -6.732 1.00 0.00 N ATOM 650 CA TYR A 47 -0.132 -6.705 -7.351 1.00 0.00 C ATOM 651 C TYR A 47 -1.139 -5.897 -6.531 1.00 0.00 C ATOM 652 O TYR A 47 -1.435 -6.243 -5.389 1.00 0.00 O ATOM 653 CB TYR A 47 -0.564 -8.173 -7.365 1.00 0.00 C ATOM 654 CG TYR A 47 -1.963 -8.404 -7.938 1.00 0.00 C ATOM 655 CD1 TYR A 47 -2.131 -8.590 -9.296 1.00 0.00 C ATOM 656 CD2 TYR A 47 -3.058 -8.426 -7.098 1.00 0.00 C ATOM 657 CE1 TYR A 47 -3.448 -8.807 -9.835 1.00 0.00 C ATOM 658 CE2 TYR A 47 -4.375 -8.644 -7.638 1.00 0.00 C ATOM 659 CZ TYR A 47 -4.506 -8.823 -8.980 1.00 0.00 C ATOM 660 OH TYR A 47 -5.750 -9.029 -9.489 1.00 0.00 O ATOM 0 H TYR A 47 1.251 -7.203 -5.858 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.094 -6.271 -8.350 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.156 -8.747 -7.948 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.531 -8.561 -6.347 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.274 -8.573 -9.954 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.927 -8.280 -6.036 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.593 -8.954 -10.895 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.240 -8.665 -6.992 1.00 0.00 H new ATOM 0 HH TYR A 47 -6.420 -8.665 -8.873 1.00 0.00 H new ATOM 670 N LEU A 48 -1.639 -4.835 -7.147 1.00 0.00 N ATOM 671 CA LEU A 48 -2.607 -3.975 -6.489 1.00 0.00 C ATOM 672 C LEU A 48 -4.017 -4.514 -6.741 1.00 0.00 C ATOM 673 O LEU A 48 -4.378 -4.809 -7.880 1.00 0.00 O ATOM 674 CB LEU A 48 -2.418 -2.521 -6.926 1.00 0.00 C ATOM 675 CG LEU A 48 -1.160 -1.823 -6.406 1.00 0.00 C ATOM 676 CD1 LEU A 48 -1.014 -0.428 -7.017 1.00 0.00 C ATOM 677 CD2 LEU A 48 -1.148 -1.782 -4.876 1.00 0.00 C ATOM 0 H LEU A 48 -1.391 -4.551 -8.095 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.450 -3.982 -5.410 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.403 -2.489 -8.015 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.287 -1.949 -6.602 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.293 -2.404 -6.720 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.112 0.046 -6.630 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.944 -0.511 -8.102 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.882 0.177 -6.755 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.243 -1.281 -4.533 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.022 -1.237 -4.520 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.170 -2.799 -4.485 1.00 0.00 H new ATOM 689 N CYS A 49 -4.775 -4.628 -5.661 1.00 0.00 N ATOM 690 CA CYS A 49 -6.137 -5.126 -5.751 1.00 0.00 C ATOM 691 C CYS A 49 -6.987 -4.390 -4.713 1.00 0.00 C ATOM 692 O CYS A 49 -6.556 -4.194 -3.578 1.00 0.00 O ATOM 693 CB CYS A 49 -6.197 -6.644 -5.566 1.00 0.00 C ATOM 694 SG CYS A 49 -7.465 -7.360 -6.674 1.00 0.00 S ATOM 0 H CYS A 49 -4.472 -4.384 -4.718 1.00 0.00 H new ATOM 0 HA CYS A 49 -6.534 -4.931 -6.747 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -5.223 -7.084 -5.782 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -6.432 -6.883 -4.529 1.00 0.00 H new ATOM 0 HG CYS A 49 -7.392 -8.657 -6.636 1.00 0.00 H new ATOM 700 N GLY A 50 -8.181 -4.004 -5.140 1.00 0.00 N ATOM 701 CA GLY A 50 -9.095 -3.294 -4.262 1.00 0.00 C ATOM 702 C GLY A 50 -9.122 -1.800 -4.590 1.00 0.00 C ATOM 703 O GLY A 50 -10.113 -1.293 -5.114 1.00 0.00 O ATOM 0 H GLY A 50 -8.536 -4.170 -6.082 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -10.098 -3.710 -4.362 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.793 -3.437 -3.225 1.00 0.00 H new ATOM 707 N PHE A 51 -8.021 -1.137 -4.268 1.00 0.00 N ATOM 708 CA PHE A 51 -7.905 0.289 -4.521 1.00 0.00 C ATOM 709 C PHE A 51 -8.476 0.650 -5.894 1.00 0.00 C ATOM 710 O PHE A 51 -8.632 -0.217 -6.753 1.00 0.00 O ATOM 711 CB PHE A 51 -6.414 0.628 -4.497 1.00 0.00 C ATOM 712 CG PHE A 51 -5.675 0.100 -3.266 1.00 0.00 C ATOM 713 CD1 PHE A 51 -5.869 0.684 -2.053 1.00 0.00 C ATOM 714 CD2 PHE A 51 -4.825 -0.955 -3.384 1.00 0.00 C ATOM 715 CE1 PHE A 51 -5.184 0.194 -0.910 1.00 0.00 C ATOM 716 CE2 PHE A 51 -4.139 -1.446 -2.241 1.00 0.00 C ATOM 717 CZ PHE A 51 -4.334 -0.861 -1.028 1.00 0.00 C ATOM 0 H PHE A 51 -7.201 -1.561 -3.834 1.00 0.00 H new ATOM 0 HA PHE A 51 -8.461 0.847 -3.768 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.945 0.220 -5.392 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -6.297 1.711 -4.541 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.545 1.521 -1.959 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -4.671 -1.420 -4.347 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -5.338 0.659 0.053 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.463 -2.283 -2.335 1.00 0.00 H new ATOM 0 HZ PHE A 51 -3.814 -1.235 -0.159 1.00 0.00 H new ATOM 727 N SER A 52 -8.772 1.931 -6.059 1.00 0.00 N ATOM 728 CA SER A 52 -9.322 2.417 -7.313 1.00 0.00 C ATOM 729 C SER A 52 -9.157 3.935 -7.403 1.00 0.00 C ATOM 730 O SER A 52 -8.562 4.443 -8.351 1.00 0.00 O ATOM 731 CB SER A 52 -10.797 2.034 -7.453 1.00 0.00 C ATOM 732 OG SER A 52 -11.046 1.295 -8.645 1.00 0.00 O ATOM 0 H SER A 52 -8.641 2.647 -5.345 1.00 0.00 H new ATOM 0 HA SER A 52 -8.774 1.949 -8.131 1.00 0.00 H new ATOM 0 HB2 SER A 52 -11.101 1.442 -6.590 1.00 0.00 H new ATOM 0 HB3 SER A 52 -11.408 2.937 -7.452 1.00 0.00 H new ATOM 0 HG SER A 52 -11.998 1.068 -8.696 1.00 0.00 H new ATOM 738 N GLY A 53 -9.696 4.617 -6.403 1.00 0.00 N ATOM 739 CA GLY A 53 -9.616 6.067 -6.357 1.00 0.00 C ATOM 740 C GLY A 53 -8.162 6.534 -6.257 1.00 0.00 C ATOM 741 O GLY A 53 -7.303 6.063 -7.001 1.00 0.00 O ATOM 0 H GLY A 53 -10.190 4.192 -5.618 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -10.076 6.489 -7.251 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -10.181 6.439 -5.502 1.00 0.00 H new ATOM 745 N ARG A 54 -7.931 7.453 -5.332 1.00 0.00 N ATOM 746 CA ARG A 54 -6.596 7.988 -5.125 1.00 0.00 C ATOM 747 C ARG A 54 -5.697 6.934 -4.475 1.00 0.00 C ATOM 748 O ARG A 54 -4.521 6.821 -4.817 1.00 0.00 O ATOM 749 CB ARG A 54 -6.633 9.234 -4.238 1.00 0.00 C ATOM 750 CG ARG A 54 -6.990 10.478 -5.054 1.00 0.00 C ATOM 751 CD ARG A 54 -7.395 11.636 -4.141 1.00 0.00 C ATOM 752 NE ARG A 54 -8.029 12.710 -4.936 1.00 0.00 N ATOM 753 CZ ARG A 54 -7.369 13.499 -5.796 1.00 0.00 C ATOM 754 NH1 ARG A 54 -6.052 13.337 -5.976 1.00 0.00 N ATOM 755 NH2 ARG A 54 -8.027 14.448 -6.475 1.00 0.00 N ATOM 0 H ARG A 54 -8.646 7.841 -4.717 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.194 8.262 -6.100 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.364 9.096 -3.441 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.663 9.374 -3.761 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -6.137 10.773 -5.665 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -7.807 10.247 -5.738 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -8.086 11.282 -3.376 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -6.518 12.025 -3.623 1.00 0.00 H new ATOM 0 HE ARG A 54 -9.032 12.860 -4.823 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -5.552 12.614 -5.459 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -5.549 13.937 -6.630 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -9.030 14.570 -6.338 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -7.525 15.048 -7.129 1.00 0.00 H new ATOM 769 N LYS A 55 -6.285 6.190 -3.549 1.00 0.00 N ATOM 770 CA LYS A 55 -5.551 5.150 -2.849 1.00 0.00 C ATOM 771 C LYS A 55 -4.640 4.420 -3.837 1.00 0.00 C ATOM 772 O LYS A 55 -3.452 4.237 -3.573 1.00 0.00 O ATOM 773 CB LYS A 55 -6.515 4.225 -2.103 1.00 0.00 C ATOM 774 CG LYS A 55 -7.441 5.023 -1.183 1.00 0.00 C ATOM 775 CD LYS A 55 -8.082 4.118 -0.130 1.00 0.00 C ATOM 776 CE LYS A 55 -8.091 4.794 1.243 1.00 0.00 C ATOM 777 NZ LYS A 55 -9.318 4.437 1.988 1.00 0.00 N ATOM 0 H LYS A 55 -7.261 6.287 -3.268 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.907 5.586 -2.085 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.109 3.659 -2.820 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.949 3.501 -1.516 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.876 5.815 -0.691 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.219 5.506 -1.774 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.102 3.876 -0.426 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.535 3.177 -0.072 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.212 4.489 1.811 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.033 5.876 1.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.308 4.904 2.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.153 4.750 1.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.357 3.406 2.119 1.00 0.00 H new ATOM 791 N LEU A 56 -5.230 4.024 -4.956 1.00 0.00 N ATOM 792 CA LEU A 56 -4.485 3.319 -5.985 1.00 0.00 C ATOM 793 C LEU A 56 -3.450 4.264 -6.598 1.00 0.00 C ATOM 794 O LEU A 56 -2.254 3.981 -6.573 1.00 0.00 O ATOM 795 CB LEU A 56 -5.440 2.704 -7.010 1.00 0.00 C ATOM 796 CG LEU A 56 -4.786 2.063 -8.236 1.00 0.00 C ATOM 797 CD1 LEU A 56 -3.785 0.982 -7.821 1.00 0.00 C ATOM 798 CD2 LEU A 56 -5.842 1.525 -9.203 1.00 0.00 C ATOM 0 H LEU A 56 -6.215 4.178 -5.172 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.936 2.483 -5.553 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.043 1.948 -6.507 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.124 3.481 -7.352 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.227 2.834 -8.767 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.334 0.542 -8.711 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.006 1.426 -7.201 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.301 0.207 -7.255 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.350 1.075 -10.065 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.449 0.773 -8.698 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.481 2.343 -9.536 1.00 0.00 H new ATOM 810 N ASP A 57 -3.949 5.368 -7.134 1.00 0.00 N ATOM 811 CA ASP A 57 -3.082 6.357 -7.753 1.00 0.00 C ATOM 812 C ASP A 57 -1.809 6.507 -6.918 1.00 0.00 C ATOM 813 O ASP A 57 -0.728 6.727 -7.461 1.00 0.00 O ATOM 814 CB ASP A 57 -3.767 7.724 -7.821 1.00 0.00 C ATOM 815 CG ASP A 57 -3.810 8.356 -9.213 1.00 0.00 C ATOM 816 OD1 ASP A 57 -4.224 7.639 -10.150 1.00 0.00 O ATOM 817 OD2 ASP A 57 -3.429 9.543 -9.310 1.00 0.00 O ATOM 0 H ASP A 57 -4.942 5.600 -7.153 1.00 0.00 H new ATOM 0 HA ASP A 57 -2.851 6.018 -8.763 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.788 7.621 -7.453 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.252 8.406 -7.144 1.00 0.00 H new ATOM 822 N LYS A 58 -1.980 6.382 -5.610 1.00 0.00 N ATOM 823 CA LYS A 58 -0.858 6.501 -4.694 1.00 0.00 C ATOM 824 C LYS A 58 0.100 5.328 -4.912 1.00 0.00 C ATOM 825 O LYS A 58 1.216 5.514 -5.395 1.00 0.00 O ATOM 826 CB LYS A 58 -1.354 6.630 -3.253 1.00 0.00 C ATOM 827 CG LYS A 58 -2.103 7.948 -3.046 1.00 0.00 C ATOM 828 CD LYS A 58 -1.306 9.126 -3.610 1.00 0.00 C ATOM 829 CE LYS A 58 -1.770 10.447 -2.994 1.00 0.00 C ATOM 830 NZ LYS A 58 -0.825 11.536 -3.331 1.00 0.00 N ATOM 0 H LYS A 58 -2.878 6.200 -5.163 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.297 7.413 -4.896 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.011 5.793 -3.015 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.508 6.577 -2.568 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.077 7.897 -3.533 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.286 8.104 -1.983 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.244 8.980 -3.410 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.424 9.164 -4.693 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.766 10.696 -3.360 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.844 10.344 -1.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.349 12.337 -3.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.332 11.847 -2.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.129 11.190 -4.023 1.00 0.00 H new ATOM 844 N LEU A 59 -0.372 4.145 -4.547 1.00 0.00 N ATOM 845 CA LEU A 59 0.429 2.941 -4.696 1.00 0.00 C ATOM 846 C LEU A 59 1.213 3.016 -6.008 1.00 0.00 C ATOM 847 O LEU A 59 2.382 2.636 -6.058 1.00 0.00 O ATOM 848 CB LEU A 59 -0.450 1.695 -4.575 1.00 0.00 C ATOM 849 CG LEU A 59 -0.660 1.158 -3.158 1.00 0.00 C ATOM 850 CD1 LEU A 59 -0.163 2.158 -2.113 1.00 0.00 C ATOM 851 CD2 LEU A 59 -2.123 0.770 -2.930 1.00 0.00 C ATOM 0 H LEU A 59 -1.299 3.994 -4.148 1.00 0.00 H new ATOM 0 HA LEU A 59 1.160 2.866 -3.891 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.426 1.920 -5.005 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.009 0.903 -5.181 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.065 0.252 -3.045 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.324 1.751 -1.115 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.901 2.342 -2.262 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.711 3.095 -2.216 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.245 0.391 -1.915 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.758 1.645 -3.070 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.410 -0.003 -3.643 1.00 0.00 H new ATOM 863 N ARG A 60 0.539 3.507 -7.037 1.00 0.00 N ATOM 864 CA ARG A 60 1.158 3.637 -8.345 1.00 0.00 C ATOM 865 C ARG A 60 2.416 4.502 -8.253 1.00 0.00 C ATOM 866 O ARG A 60 3.483 4.104 -8.719 1.00 0.00 O ATOM 867 CB ARG A 60 0.191 4.260 -9.353 1.00 0.00 C ATOM 868 CG ARG A 60 -0.751 3.204 -9.935 1.00 0.00 C ATOM 869 CD ARG A 60 -2.092 3.824 -10.333 1.00 0.00 C ATOM 870 NE ARG A 60 -1.867 4.997 -11.208 1.00 0.00 N ATOM 871 CZ ARG A 60 -1.630 4.917 -12.524 1.00 0.00 C ATOM 872 NH1 ARG A 60 -1.585 3.721 -13.126 1.00 0.00 N ATOM 873 NH2 ARG A 60 -1.437 6.034 -13.239 1.00 0.00 N ATOM 0 H ARG A 60 -0.431 3.820 -6.991 1.00 0.00 H new ATOM 0 HA ARG A 60 1.425 2.637 -8.686 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.391 5.043 -8.868 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.754 4.733 -10.158 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.288 2.740 -10.806 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.915 2.414 -9.202 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -2.704 3.086 -10.851 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.642 4.125 -9.441 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.894 5.924 -10.782 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -1.731 2.871 -12.582 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.405 3.661 -14.128 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.471 6.945 -12.781 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.257 5.973 -14.241 1.00 0.00 H new ATOM 887 N ARG A 61 2.250 5.670 -7.650 1.00 0.00 N ATOM 888 CA ARG A 61 3.359 6.595 -7.492 1.00 0.00 C ATOM 889 C ARG A 61 4.372 6.042 -6.488 1.00 0.00 C ATOM 890 O ARG A 61 5.569 6.303 -6.601 1.00 0.00 O ATOM 891 CB ARG A 61 2.871 7.963 -7.012 1.00 0.00 C ATOM 892 CG ARG A 61 1.954 8.614 -8.051 1.00 0.00 C ATOM 893 CD ARG A 61 1.849 10.123 -7.820 1.00 0.00 C ATOM 894 NE ARG A 61 1.103 10.753 -8.932 1.00 0.00 N ATOM 895 CZ ARG A 61 -0.234 10.791 -9.015 1.00 0.00 C ATOM 896 NH1 ARG A 61 -0.980 10.234 -8.051 1.00 0.00 N ATOM 897 NH2 ARG A 61 -0.825 11.385 -10.060 1.00 0.00 N ATOM 0 H ARG A 61 1.364 5.997 -7.265 1.00 0.00 H new ATOM 0 HA ARG A 61 3.834 6.713 -8.466 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.336 7.852 -6.069 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.726 8.611 -6.819 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.339 8.422 -9.052 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.962 8.165 -7.999 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.344 10.320 -6.874 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.846 10.558 -7.747 1.00 0.00 H new ATOM 0 HE ARG A 61 1.641 11.186 -9.683 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.530 9.782 -7.255 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -1.998 10.262 -8.113 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.257 11.809 -10.794 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.843 11.413 -10.122 1.00 0.00 H new ATOM 911 N LEU A 62 3.856 5.289 -5.528 1.00 0.00 N ATOM 912 CA LEU A 62 4.700 4.696 -4.505 1.00 0.00 C ATOM 913 C LEU A 62 5.570 3.607 -5.136 1.00 0.00 C ATOM 914 O LEU A 62 6.779 3.779 -5.281 1.00 0.00 O ATOM 915 CB LEU A 62 3.853 4.204 -3.330 1.00 0.00 C ATOM 916 CG LEU A 62 3.546 5.238 -2.245 1.00 0.00 C ATOM 917 CD1 LEU A 62 2.173 5.874 -2.467 1.00 0.00 C ATOM 918 CD2 LEU A 62 3.675 4.623 -0.850 1.00 0.00 C ATOM 0 H LEU A 62 2.863 5.076 -5.437 1.00 0.00 H new ATOM 0 HA LEU A 62 5.376 5.443 -4.089 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.909 3.826 -3.722 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.366 3.361 -2.866 1.00 0.00 H new ATOM 0 HG LEU A 62 4.285 6.036 -2.314 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.979 6.605 -1.682 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.154 6.370 -3.437 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.405 5.101 -2.440 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.452 5.379 -0.097 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.974 3.794 -0.751 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.692 4.257 -0.706 1.00 0.00 H new ATOM 930 N ILE A 63 4.920 2.509 -5.493 1.00 0.00 N ATOM 931 CA ILE A 63 5.619 1.392 -6.105 1.00 0.00 C ATOM 932 C ILE A 63 6.684 1.925 -7.065 1.00 0.00 C ATOM 933 O ILE A 63 7.858 1.575 -6.953 1.00 0.00 O ATOM 934 CB ILE A 63 4.625 0.432 -6.761 1.00 0.00 C ATOM 935 CG1 ILE A 63 3.832 -0.342 -5.707 1.00 0.00 C ATOM 936 CG2 ILE A 63 5.332 -0.501 -7.746 1.00 0.00 C ATOM 937 CD1 ILE A 63 2.427 -0.676 -6.212 1.00 0.00 C ATOM 0 H ILE A 63 3.917 2.369 -5.370 1.00 0.00 H new ATOM 0 HA ILE A 63 6.138 0.807 -5.346 1.00 0.00 H new ATOM 0 HB ILE A 63 3.909 1.021 -7.333 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.359 -1.262 -5.453 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.763 0.248 -4.793 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.603 -1.173 -8.198 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.813 0.090 -8.525 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.085 -1.086 -7.217 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.885 -1.226 -5.443 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.894 0.247 -6.442 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.499 -1.287 -7.112 1.00 0.00 H new ATOM 949 N ASN A 64 6.236 2.764 -7.988 1.00 0.00 N ATOM 950 CA ASN A 64 7.136 3.350 -8.967 1.00 0.00 C ATOM 951 C ASN A 64 8.197 4.181 -8.245 1.00 0.00 C ATOM 952 O ASN A 64 9.381 4.101 -8.569 1.00 0.00 O ATOM 953 CB ASN A 64 6.381 4.274 -9.925 1.00 0.00 C ATOM 954 CG ASN A 64 6.951 4.179 -11.341 1.00 0.00 C ATOM 955 OD1 ASN A 64 7.096 3.109 -11.909 1.00 0.00 O ATOM 956 ND2 ASN A 64 7.265 5.354 -11.879 1.00 0.00 N ATOM 0 H ASN A 64 5.262 3.052 -8.078 1.00 0.00 H new ATOM 0 HA ASN A 64 7.593 2.539 -9.534 1.00 0.00 H new ATOM 0 HB2 ASN A 64 5.324 4.007 -9.936 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.447 5.303 -9.571 1.00 0.00 H new ATOM 0 HD21 ASN A 64 7.652 5.396 -12.822 1.00 0.00 H new ATOM 0 HD22 ASN A 64 7.118 6.213 -11.349 1.00 0.00 H new ATOM 963 N SER A 65 7.735 4.962 -7.279 1.00 0.00 N ATOM 964 CA SER A 65 8.630 5.808 -6.508 1.00 0.00 C ATOM 965 C SER A 65 9.749 4.964 -5.895 1.00 0.00 C ATOM 966 O SER A 65 10.890 5.415 -5.798 1.00 0.00 O ATOM 967 CB SER A 65 7.871 6.559 -5.412 1.00 0.00 C ATOM 968 OG SER A 65 8.727 6.954 -4.344 1.00 0.00 O ATOM 0 H SER A 65 6.752 5.026 -7.013 1.00 0.00 H new ATOM 0 HA SER A 65 9.067 6.546 -7.181 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.395 7.441 -5.840 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.075 5.925 -5.023 1.00 0.00 H new ATOM 0 HG SER A 65 8.205 7.431 -3.666 1.00 0.00 H new ATOM 974 N GLY A 66 9.384 3.754 -5.496 1.00 0.00 N ATOM 975 CA GLY A 66 10.343 2.843 -4.895 1.00 0.00 C ATOM 976 C GLY A 66 10.990 1.950 -5.956 1.00 0.00 C ATOM 977 O GLY A 66 11.754 1.044 -5.627 1.00 0.00 O ATOM 0 H GLY A 66 8.437 3.384 -5.577 1.00 0.00 H new ATOM 0 HA2 GLY A 66 11.113 3.412 -4.374 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.844 2.224 -4.149 1.00 0.00 H new ATOM 981 N GLY A 67 10.660 2.237 -7.206 1.00 0.00 N ATOM 982 CA GLY A 67 11.199 1.471 -8.317 1.00 0.00 C ATOM 983 C GLY A 67 10.324 0.253 -8.619 1.00 0.00 C ATOM 984 O GLY A 67 10.377 -0.297 -9.718 1.00 0.00 O ATOM 0 H GLY A 67 10.026 2.990 -7.475 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.265 2.104 -9.202 1.00 0.00 H new ATOM 0 HA3 GLY A 67 12.212 1.146 -8.081 1.00 0.00 H new ATOM 988 N GLY A 68 9.539 -0.133 -7.624 1.00 0.00 N ATOM 989 CA GLY A 68 8.654 -1.276 -7.769 1.00 0.00 C ATOM 990 C GLY A 68 7.884 -1.210 -9.090 1.00 0.00 C ATOM 991 O GLY A 68 7.838 -0.162 -9.733 1.00 0.00 O ATOM 0 H GLY A 68 9.497 0.326 -6.714 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.235 -2.197 -7.728 1.00 0.00 H new ATOM 0 HA3 GLY A 68 7.952 -1.305 -6.936 1.00 0.00 H new ATOM 995 N VAL A 69 7.299 -2.341 -9.455 1.00 0.00 N ATOM 996 CA VAL A 69 6.534 -2.424 -10.687 1.00 0.00 C ATOM 997 C VAL A 69 5.091 -2.812 -10.361 1.00 0.00 C ATOM 998 O VAL A 69 4.847 -3.848 -9.744 1.00 0.00 O ATOM 999 CB VAL A 69 7.210 -3.395 -11.658 1.00 0.00 C ATOM 1000 CG1 VAL A 69 6.252 -3.805 -12.779 1.00 0.00 C ATOM 1001 CG2 VAL A 69 8.496 -2.794 -12.228 1.00 0.00 C ATOM 0 H VAL A 69 7.339 -3.208 -8.919 1.00 0.00 H new ATOM 0 HA VAL A 69 6.505 -1.455 -11.185 1.00 0.00 H new ATOM 0 HB VAL A 69 7.478 -4.293 -11.101 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.757 -4.495 -13.455 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.377 -4.293 -12.350 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.939 -2.919 -13.332 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.956 -3.504 -12.915 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.262 -1.873 -12.762 1.00 0.00 H new ATOM 0 HG23 VAL A 69 9.188 -2.576 -11.414 1.00 0.00 H new ATOM 1011 N ARG A 70 4.171 -1.960 -10.791 1.00 0.00 N ATOM 1012 CA ARG A 70 2.758 -2.201 -10.552 1.00 0.00 C ATOM 1013 C ARG A 70 2.152 -2.995 -11.711 1.00 0.00 C ATOM 1014 O ARG A 70 1.943 -2.455 -12.796 1.00 0.00 O ATOM 1015 CB ARG A 70 1.995 -0.885 -10.390 1.00 0.00 C ATOM 1016 CG ARG A 70 0.636 -1.118 -9.725 1.00 0.00 C ATOM 1017 CD ARG A 70 -0.464 -0.326 -10.435 1.00 0.00 C ATOM 1018 NE ARG A 70 -1.637 -1.195 -10.676 1.00 0.00 N ATOM 1019 CZ ARG A 70 -2.796 -0.766 -11.195 1.00 0.00 C ATOM 1020 NH1 ARG A 70 -2.944 0.523 -11.530 1.00 0.00 N ATOM 1021 NH2 ARG A 70 -3.807 -1.626 -11.378 1.00 0.00 N ATOM 0 H ARG A 70 4.377 -1.102 -11.303 1.00 0.00 H new ATOM 0 HA ARG A 70 2.670 -2.774 -9.629 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.583 -0.191 -9.790 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.852 -0.421 -11.366 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.395 -2.181 -9.745 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.684 -0.822 -8.677 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -0.755 0.532 -9.829 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -0.090 0.064 -11.381 1.00 0.00 H new ATOM 0 HE ARG A 70 -1.559 -2.182 -10.432 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -2.175 1.178 -11.390 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.826 0.849 -11.925 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -3.695 -2.607 -11.122 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -4.689 -1.300 -11.773 1.00 0.00 H new ATOM 1035 N PHE A 71 1.887 -4.265 -11.442 1.00 0.00 N ATOM 1036 CA PHE A 71 1.309 -5.139 -12.448 1.00 0.00 C ATOM 1037 C PHE A 71 -0.203 -4.927 -12.556 1.00 0.00 C ATOM 1038 O PHE A 71 -0.879 -4.730 -11.547 1.00 0.00 O ATOM 1039 CB PHE A 71 1.580 -6.577 -12.002 1.00 0.00 C ATOM 1040 CG PHE A 71 2.726 -7.256 -12.753 1.00 0.00 C ATOM 1041 CD1 PHE A 71 3.842 -6.548 -13.075 1.00 0.00 C ATOM 1042 CD2 PHE A 71 2.630 -8.568 -13.099 1.00 0.00 C ATOM 1043 CE1 PHE A 71 4.906 -7.179 -13.772 1.00 0.00 C ATOM 1044 CE2 PHE A 71 3.694 -9.198 -13.797 1.00 0.00 C ATOM 1045 CZ PHE A 71 4.810 -8.490 -14.118 1.00 0.00 C ATOM 0 H PHE A 71 2.062 -4.710 -10.541 1.00 0.00 H new ATOM 0 HA PHE A 71 1.749 -4.926 -13.422 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.806 -6.579 -10.936 1.00 0.00 H new ATOM 0 HB3 PHE A 71 0.672 -7.165 -12.136 1.00 0.00 H new ATOM 0 HD1 PHE A 71 3.919 -5.506 -12.801 1.00 0.00 H new ATOM 0 HD2 PHE A 71 1.744 -9.131 -12.843 1.00 0.00 H new ATOM 0 HE1 PHE A 71 5.792 -6.617 -14.027 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.617 -10.239 -14.073 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.620 -8.969 -14.648 1.00 0.00 H new ATOM 1055 N ASN A 72 -0.689 -4.975 -13.787 1.00 0.00 N ATOM 1056 CA ASN A 72 -2.108 -4.791 -14.040 1.00 0.00 C ATOM 1057 C ASN A 72 -2.850 -6.093 -13.731 1.00 0.00 C ATOM 1058 O ASN A 72 -4.049 -6.079 -13.459 1.00 0.00 O ATOM 1059 CB ASN A 72 -2.365 -4.436 -15.506 1.00 0.00 C ATOM 1060 CG ASN A 72 -1.606 -3.169 -15.905 1.00 0.00 C ATOM 1061 OD1 ASN A 72 -1.733 -2.120 -15.294 1.00 0.00 O ATOM 1062 ND2 ASN A 72 -0.812 -3.324 -16.960 1.00 0.00 N ATOM 0 H ASN A 72 -0.125 -5.139 -14.621 1.00 0.00 H new ATOM 0 HA ASN A 72 -2.461 -3.978 -13.405 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.057 -5.265 -16.144 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -3.433 -4.290 -15.667 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -0.262 -2.537 -17.304 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -0.753 -4.230 -17.425 1.00 0.00 H new ATOM 1069 N GLN A 73 -2.105 -7.187 -13.784 1.00 0.00 N ATOM 1070 CA GLN A 73 -2.677 -8.495 -13.514 1.00 0.00 C ATOM 1071 C GLN A 73 -1.820 -9.249 -12.495 1.00 0.00 C ATOM 1072 O GLN A 73 -0.758 -8.772 -12.098 1.00 0.00 O ATOM 1073 CB GLN A 73 -2.833 -9.303 -14.804 1.00 0.00 C ATOM 1074 CG GLN A 73 -4.160 -8.982 -15.495 1.00 0.00 C ATOM 1075 CD GLN A 73 -4.874 -10.263 -15.931 1.00 0.00 C ATOM 1076 OE1 GLN A 73 -4.424 -11.370 -15.686 1.00 0.00 O ATOM 1077 NE2 GLN A 73 -6.010 -10.051 -16.591 1.00 0.00 N ATOM 0 H GLN A 73 -1.110 -7.195 -14.010 1.00 0.00 H new ATOM 0 HA GLN A 73 -3.671 -8.354 -13.090 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -2.005 -9.082 -15.478 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -2.785 -10.368 -14.578 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -4.800 -8.417 -14.817 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -3.978 -8.349 -16.363 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -6.330 -9.098 -16.762 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -6.561 -10.842 -16.925 1.00 0.00 H new ATOM 1086 N LEU A 74 -2.313 -10.414 -12.102 1.00 0.00 N ATOM 1087 CA LEU A 74 -1.605 -11.239 -11.137 1.00 0.00 C ATOM 1088 C LEU A 74 -0.878 -12.366 -11.872 1.00 0.00 C ATOM 1089 O LEU A 74 -1.232 -12.707 -12.999 1.00 0.00 O ATOM 1090 CB LEU A 74 -2.562 -11.732 -10.050 1.00 0.00 C ATOM 1091 CG LEU A 74 -2.054 -11.625 -8.610 1.00 0.00 C ATOM 1092 CD1 LEU A 74 -3.215 -11.437 -7.631 1.00 0.00 C ATOM 1093 CD2 LEU A 74 -1.186 -12.831 -8.245 1.00 0.00 C ATOM 0 H LEU A 74 -3.194 -10.807 -12.434 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.845 -10.653 -10.620 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.492 -11.168 -10.129 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.804 -12.775 -10.252 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.423 -10.739 -8.535 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.826 -11.364 -6.615 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.756 -10.524 -7.879 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.891 -12.289 -7.700 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.838 -12.731 -7.217 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.773 -13.744 -8.342 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.328 -12.878 -8.916 1.00 0.00 H new ATOM 1105 N ASN A 75 0.128 -12.913 -11.204 1.00 0.00 N ATOM 1106 CA ASN A 75 0.909 -13.994 -11.780 1.00 0.00 C ATOM 1107 C ASN A 75 1.883 -14.530 -10.729 1.00 0.00 C ATOM 1108 O ASN A 75 1.859 -14.097 -9.578 1.00 0.00 O ATOM 1109 CB ASN A 75 1.726 -13.506 -12.978 1.00 0.00 C ATOM 1110 CG ASN A 75 0.876 -13.482 -14.250 1.00 0.00 C ATOM 1111 OD1 ASN A 75 0.446 -14.504 -14.759 1.00 0.00 O ATOM 1112 ND2 ASN A 75 0.659 -12.262 -14.732 1.00 0.00 N ATOM 0 H ASN A 75 0.420 -12.627 -10.269 1.00 0.00 H new ATOM 0 HA ASN A 75 0.219 -14.771 -12.108 1.00 0.00 H new ATOM 0 HB2 ASN A 75 2.113 -12.507 -12.776 1.00 0.00 H new ATOM 0 HB3 ASN A 75 2.587 -14.158 -13.125 1.00 0.00 H new ATOM 0 HD21 ASN A 75 0.103 -12.139 -15.578 1.00 0.00 H new ATOM 0 HD22 ASN A 75 1.049 -11.449 -14.256 1.00 0.00 H new ATOM 1119 N GLU A 76 2.716 -15.464 -11.163 1.00 0.00 N ATOM 1120 CA GLU A 76 3.697 -16.063 -10.274 1.00 0.00 C ATOM 1121 C GLU A 76 4.845 -15.086 -10.014 1.00 0.00 C ATOM 1122 O GLU A 76 5.626 -15.274 -9.083 1.00 0.00 O ATOM 1123 CB GLU A 76 4.219 -17.384 -10.843 1.00 0.00 C ATOM 1124 CG GLU A 76 3.064 -18.319 -11.206 1.00 0.00 C ATOM 1125 CD GLU A 76 3.585 -19.687 -11.652 1.00 0.00 C ATOM 1126 OE1 GLU A 76 4.097 -20.414 -10.772 1.00 0.00 O ATOM 1127 OE2 GLU A 76 3.460 -19.975 -12.861 1.00 0.00 O ATOM 0 H GLU A 76 2.732 -15.821 -12.118 1.00 0.00 H new ATOM 0 HA GLU A 76 3.210 -16.282 -9.324 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.825 -17.189 -11.728 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.867 -17.868 -10.113 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.405 -18.440 -10.346 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.469 -17.875 -12.004 1.00 0.00 H new ATOM 1134 N ASP A 77 4.912 -14.064 -10.854 1.00 0.00 N ATOM 1135 CA ASP A 77 5.952 -13.057 -10.727 1.00 0.00 C ATOM 1136 C ASP A 77 5.642 -12.158 -9.529 1.00 0.00 C ATOM 1137 O ASP A 77 6.551 -11.713 -8.831 1.00 0.00 O ATOM 1138 CB ASP A 77 6.019 -12.175 -11.975 1.00 0.00 C ATOM 1139 CG ASP A 77 6.654 -12.835 -13.201 1.00 0.00 C ATOM 1140 OD1 ASP A 77 7.890 -13.023 -13.167 1.00 0.00 O ATOM 1141 OD2 ASP A 77 5.891 -13.136 -14.143 1.00 0.00 O ATOM 0 H ASP A 77 4.263 -13.911 -11.626 1.00 0.00 H new ATOM 0 HA ASP A 77 6.905 -13.570 -10.596 1.00 0.00 H new ATOM 0 HB2 ASP A 77 5.008 -11.860 -12.234 1.00 0.00 H new ATOM 0 HB3 ASP A 77 6.582 -11.273 -11.734 1.00 0.00 H new ATOM 1146 N VAL A 78 4.354 -11.919 -9.327 1.00 0.00 N ATOM 1147 CA VAL A 78 3.913 -11.082 -8.224 1.00 0.00 C ATOM 1148 C VAL A 78 4.677 -11.469 -6.957 1.00 0.00 C ATOM 1149 O VAL A 78 4.637 -12.623 -6.532 1.00 0.00 O ATOM 1150 CB VAL A 78 2.395 -11.186 -8.063 1.00 0.00 C ATOM 1151 CG1 VAL A 78 1.935 -10.522 -6.763 1.00 0.00 C ATOM 1152 CG2 VAL A 78 1.672 -10.587 -9.271 1.00 0.00 C ATOM 0 H VAL A 78 3.602 -12.290 -9.908 1.00 0.00 H new ATOM 0 HA VAL A 78 4.134 -10.034 -8.428 1.00 0.00 H new ATOM 0 HB VAL A 78 2.136 -12.243 -8.009 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.852 -10.610 -6.673 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.411 -11.014 -5.915 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.214 -9.468 -6.774 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.595 -10.674 -9.130 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.941 -9.535 -9.371 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.965 -11.124 -10.173 1.00 0.00 H new ATOM 1162 N THR A 79 5.356 -10.484 -6.389 1.00 0.00 N ATOM 1163 CA THR A 79 6.128 -10.707 -5.178 1.00 0.00 C ATOM 1164 C THR A 79 5.342 -10.242 -3.951 1.00 0.00 C ATOM 1165 O THR A 79 5.715 -10.546 -2.819 1.00 0.00 O ATOM 1166 CB THR A 79 7.476 -10.002 -5.340 1.00 0.00 C ATOM 1167 OG1 THR A 79 7.140 -8.617 -5.379 1.00 0.00 O ATOM 1168 CG2 THR A 79 8.117 -10.268 -6.704 1.00 0.00 C ATOM 0 H THR A 79 5.388 -9.529 -6.745 1.00 0.00 H new ATOM 0 HA THR A 79 6.318 -11.769 -5.020 1.00 0.00 H new ATOM 0 HB THR A 79 8.153 -10.329 -4.551 1.00 0.00 H new ATOM 0 HG1 THR A 79 6.768 -8.395 -6.258 1.00 0.00 H new ATOM 0 HG21 THR A 79 9.071 -9.744 -6.766 1.00 0.00 H new ATOM 0 HG22 THR A 79 8.282 -11.339 -6.826 1.00 0.00 H new ATOM 0 HG23 THR A 79 7.455 -9.911 -7.493 1.00 0.00 H new ATOM 1176 N HIS A 80 4.269 -9.512 -4.216 1.00 0.00 N ATOM 1177 CA HIS A 80 3.427 -9.002 -3.147 1.00 0.00 C ATOM 1178 C HIS A 80 2.046 -8.653 -3.704 1.00 0.00 C ATOM 1179 O HIS A 80 1.889 -8.455 -4.908 1.00 0.00 O ATOM 1180 CB HIS A 80 4.099 -7.821 -2.444 1.00 0.00 C ATOM 1181 CG HIS A 80 5.529 -8.082 -2.035 1.00 0.00 C ATOM 1182 ND1 HIS A 80 6.583 -8.049 -2.932 1.00 0.00 N ATOM 1183 CD2 HIS A 80 6.068 -8.379 -0.818 1.00 0.00 C ATOM 1184 CE1 HIS A 80 7.701 -8.316 -2.273 1.00 0.00 C ATOM 1185 NE2 HIS A 80 7.379 -8.521 -0.963 1.00 0.00 N ATOM 0 H HIS A 80 3.963 -9.261 -5.156 1.00 0.00 H new ATOM 0 HA HIS A 80 3.290 -9.772 -2.388 1.00 0.00 H new ATOM 0 HB2 HIS A 80 4.074 -6.955 -3.106 1.00 0.00 H new ATOM 0 HB3 HIS A 80 3.520 -7.562 -1.558 1.00 0.00 H new ATOM 0 HD1 HIS A 80 6.511 -7.853 -3.930 1.00 0.00 H new ATOM 0 HD2 HIS A 80 5.520 -8.481 0.107 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.693 -8.363 -2.698 1.00 0.00 H new ATOM 1193 N VAL A 81 1.078 -8.589 -2.801 1.00 0.00 N ATOM 1194 CA VAL A 81 -0.285 -8.267 -3.187 1.00 0.00 C ATOM 1195 C VAL A 81 -0.881 -7.290 -2.171 1.00 0.00 C ATOM 1196 O VAL A 81 -1.379 -7.704 -1.125 1.00 0.00 O ATOM 1197 CB VAL A 81 -1.104 -9.551 -3.333 1.00 0.00 C ATOM 1198 CG1 VAL A 81 -2.600 -9.241 -3.420 1.00 0.00 C ATOM 1199 CG2 VAL A 81 -0.641 -10.362 -4.545 1.00 0.00 C ATOM 0 H VAL A 81 1.211 -8.755 -1.803 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.301 -7.775 -4.159 1.00 0.00 H new ATOM 0 HB VAL A 81 -0.939 -10.156 -2.442 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.159 -10.171 -3.523 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.918 -8.725 -2.514 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.790 -8.605 -4.285 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.239 -11.269 -4.626 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.762 -9.766 -5.449 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.409 -10.629 -4.424 1.00 0.00 H new ATOM 1209 N ILE A 82 -0.811 -6.013 -2.515 1.00 0.00 N ATOM 1210 CA ILE A 82 -1.337 -4.974 -1.646 1.00 0.00 C ATOM 1211 C ILE A 82 -2.861 -4.933 -1.773 1.00 0.00 C ATOM 1212 O ILE A 82 -3.392 -4.447 -2.771 1.00 0.00 O ATOM 1213 CB ILE A 82 -0.659 -3.634 -1.941 1.00 0.00 C ATOM 1214 CG1 ILE A 82 0.858 -3.801 -2.056 1.00 0.00 C ATOM 1215 CG2 ILE A 82 -1.043 -2.584 -0.898 1.00 0.00 C ATOM 1216 CD1 ILE A 82 1.553 -3.406 -0.751 1.00 0.00 C ATOM 0 H ILE A 82 -0.398 -5.674 -3.384 1.00 0.00 H new ATOM 0 HA ILE A 82 -1.109 -5.197 -0.604 1.00 0.00 H new ATOM 0 HB ILE A 82 -1.017 -3.275 -2.906 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.096 -4.836 -2.300 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.234 -3.186 -2.873 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -0.548 -1.641 -1.131 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.123 -2.439 -0.909 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -0.732 -2.922 0.090 1.00 0.00 H new ATOM 0 HD11 ILE A 82 2.630 -3.534 -0.859 1.00 0.00 H new ATOM 0 HD12 ILE A 82 1.332 -2.363 -0.522 1.00 0.00 H new ATOM 0 HD13 ILE A 82 1.192 -4.039 0.060 1.00 0.00 H new ATOM 1228 N VAL A 83 -3.523 -5.449 -0.748 1.00 0.00 N ATOM 1229 CA VAL A 83 -4.975 -5.477 -0.732 1.00 0.00 C ATOM 1230 C VAL A 83 -5.496 -4.257 0.029 1.00 0.00 C ATOM 1231 O VAL A 83 -4.828 -3.750 0.929 1.00 0.00 O ATOM 1232 CB VAL A 83 -5.466 -6.802 -0.146 1.00 0.00 C ATOM 1233 CG1 VAL A 83 -6.995 -6.863 -0.133 1.00 0.00 C ATOM 1234 CG2 VAL A 83 -4.877 -7.991 -0.907 1.00 0.00 C ATOM 0 H VAL A 83 -3.080 -5.851 0.078 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.369 -5.420 -1.747 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.119 -6.860 0.886 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.318 -7.815 0.288 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.387 -6.046 0.474 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.371 -6.771 -1.152 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.242 -8.920 -0.470 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.179 -7.939 -1.953 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.789 -7.962 -0.841 1.00 0.00 H new ATOM 1244 N GLY A 84 -6.685 -3.820 -0.360 1.00 0.00 N ATOM 1245 CA GLY A 84 -7.304 -2.669 0.274 1.00 0.00 C ATOM 1246 C GLY A 84 -8.611 -3.060 0.966 1.00 0.00 C ATOM 1247 O GLY A 84 -8.957 -2.505 2.008 1.00 0.00 O ATOM 0 H GLY A 84 -7.236 -4.243 -1.107 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.618 -2.238 1.003 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.500 -1.900 -0.473 1.00 0.00 H new ATOM 1251 N ASP A 85 -9.302 -4.013 0.359 1.00 0.00 N ATOM 1252 CA ASP A 85 -10.564 -4.486 0.903 1.00 0.00 C ATOM 1253 C ASP A 85 -10.664 -6.000 0.708 1.00 0.00 C ATOM 1254 O ASP A 85 -10.976 -6.731 1.647 1.00 0.00 O ATOM 1255 CB ASP A 85 -11.750 -3.838 0.186 1.00 0.00 C ATOM 1256 CG ASP A 85 -13.124 -4.377 0.592 1.00 0.00 C ATOM 1257 OD1 ASP A 85 -13.361 -4.463 1.816 1.00 0.00 O ATOM 1258 OD2 ASP A 85 -13.906 -4.690 -0.332 1.00 0.00 O ATOM 0 H ASP A 85 -9.012 -4.471 -0.505 1.00 0.00 H new ATOM 0 HA ASP A 85 -10.594 -4.224 1.961 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.727 -2.765 0.375 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.625 -3.976 -0.888 1.00 0.00 H new ATOM 1263 N TYR A 86 -10.392 -6.426 -0.517 1.00 0.00 N ATOM 1264 CA TYR A 86 -10.447 -7.840 -0.847 1.00 0.00 C ATOM 1265 C TYR A 86 -9.820 -8.108 -2.216 1.00 0.00 C ATOM 1266 O TYR A 86 -9.920 -7.282 -3.121 1.00 0.00 O ATOM 1267 CB TYR A 86 -11.933 -8.203 -0.899 1.00 0.00 C ATOM 1268 CG TYR A 86 -12.631 -7.781 -2.194 1.00 0.00 C ATOM 1269 CD1 TYR A 86 -12.515 -6.484 -2.649 1.00 0.00 C ATOM 1270 CD2 TYR A 86 -13.376 -8.699 -2.907 1.00 0.00 C ATOM 1271 CE1 TYR A 86 -13.172 -6.087 -3.868 1.00 0.00 C ATOM 1272 CE2 TYR A 86 -14.033 -8.302 -4.125 1.00 0.00 C ATOM 1273 CZ TYR A 86 -13.899 -7.016 -4.545 1.00 0.00 C ATOM 1274 OH TYR A 86 -14.519 -6.641 -5.696 1.00 0.00 O ATOM 0 H TYR A 86 -10.133 -5.817 -1.293 1.00 0.00 H new ATOM 0 HA TYR A 86 -9.899 -8.428 -0.111 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -12.038 -9.281 -0.776 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -12.441 -7.735 -0.055 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -11.932 -5.766 -2.091 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -13.466 -9.715 -2.551 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -13.089 -5.075 -4.236 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -14.619 -9.010 -4.692 1.00 0.00 H new ATOM 0 HH TYR A 86 -14.383 -7.329 -6.380 1.00 0.00 H new ATOM 1284 N ASP A 87 -9.187 -9.267 -2.324 1.00 0.00 N ATOM 1285 CA ASP A 87 -8.543 -9.655 -3.568 1.00 0.00 C ATOM 1286 C ASP A 87 -9.228 -10.905 -4.124 1.00 0.00 C ATOM 1287 O ASP A 87 -9.022 -12.007 -3.618 1.00 0.00 O ATOM 1288 CB ASP A 87 -7.066 -9.985 -3.344 1.00 0.00 C ATOM 1289 CG ASP A 87 -6.173 -9.820 -4.575 1.00 0.00 C ATOM 1290 OD1 ASP A 87 -6.520 -10.423 -5.614 1.00 0.00 O ATOM 1291 OD2 ASP A 87 -5.162 -9.095 -4.450 1.00 0.00 O ATOM 0 H ASP A 87 -9.106 -9.950 -1.571 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.624 -8.820 -4.264 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.683 -9.346 -2.548 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.988 -11.014 -2.993 1.00 0.00 H new ATOM 1296 N ASP A 88 -10.029 -10.691 -5.158 1.00 0.00 N ATOM 1297 CA ASP A 88 -10.745 -11.787 -5.788 1.00 0.00 C ATOM 1298 C ASP A 88 -9.800 -12.535 -6.730 1.00 0.00 C ATOM 1299 O ASP A 88 -9.606 -13.742 -6.591 1.00 0.00 O ATOM 1300 CB ASP A 88 -11.925 -11.271 -6.614 1.00 0.00 C ATOM 1301 CG ASP A 88 -12.894 -10.360 -5.858 1.00 0.00 C ATOM 1302 OD1 ASP A 88 -13.206 -10.701 -4.697 1.00 0.00 O ATOM 1303 OD2 ASP A 88 -13.302 -9.342 -6.459 1.00 0.00 O ATOM 0 H ASP A 88 -10.198 -9.775 -5.575 1.00 0.00 H new ATOM 0 HA ASP A 88 -11.115 -12.444 -5.001 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -11.536 -10.728 -7.475 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -12.480 -12.126 -7.000 1.00 0.00 H new ATOM 1308 N GLU A 89 -9.236 -11.787 -7.666 1.00 0.00 N ATOM 1309 CA GLU A 89 -8.315 -12.364 -8.631 1.00 0.00 C ATOM 1310 C GLU A 89 -7.400 -13.383 -7.948 1.00 0.00 C ATOM 1311 O GLU A 89 -7.164 -14.465 -8.482 1.00 0.00 O ATOM 1312 CB GLU A 89 -7.498 -11.274 -9.328 1.00 0.00 C ATOM 1313 CG GLU A 89 -7.503 -11.471 -10.845 1.00 0.00 C ATOM 1314 CD GLU A 89 -7.287 -10.142 -11.572 1.00 0.00 C ATOM 1315 OE1 GLU A 89 -8.158 -9.259 -11.410 1.00 0.00 O ATOM 1316 OE2 GLU A 89 -6.257 -10.038 -12.272 1.00 0.00 O ATOM 0 H GLU A 89 -9.399 -10.786 -7.777 1.00 0.00 H new ATOM 0 HA GLU A 89 -8.896 -12.881 -9.395 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.909 -10.294 -9.084 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.473 -11.291 -8.959 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.720 -12.175 -11.126 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.452 -11.909 -11.155 1.00 0.00 H new ATOM 1323 N LEU A 90 -6.911 -13.000 -6.778 1.00 0.00 N ATOM 1324 CA LEU A 90 -6.028 -13.867 -6.016 1.00 0.00 C ATOM 1325 C LEU A 90 -6.549 -15.305 -6.084 1.00 0.00 C ATOM 1326 O LEU A 90 -5.789 -16.231 -6.362 1.00 0.00 O ATOM 1327 CB LEU A 90 -5.860 -13.341 -4.589 1.00 0.00 C ATOM 1328 CG LEU A 90 -4.649 -13.869 -3.818 1.00 0.00 C ATOM 1329 CD1 LEU A 90 -3.586 -14.415 -4.774 1.00 0.00 C ATOM 1330 CD2 LEU A 90 -4.084 -12.797 -2.884 1.00 0.00 C ATOM 0 H LEU A 90 -7.109 -12.101 -6.339 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.028 -13.868 -6.450 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.794 -12.254 -4.629 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.760 -13.585 -4.025 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.977 -14.700 -3.193 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.736 -14.784 -4.200 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.009 -15.230 -5.361 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.255 -13.620 -5.442 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.224 -13.198 -2.348 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.775 -11.931 -3.469 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.850 -12.497 -2.169 1.00 0.00 H new ATOM 1342 N LYS A 91 -7.840 -15.445 -5.827 1.00 0.00 N ATOM 1343 CA LYS A 91 -8.471 -16.754 -5.855 1.00 0.00 C ATOM 1344 C LYS A 91 -8.228 -17.403 -7.219 1.00 0.00 C ATOM 1345 O LYS A 91 -7.750 -18.534 -7.296 1.00 0.00 O ATOM 1346 CB LYS A 91 -9.951 -16.644 -5.482 1.00 0.00 C ATOM 1347 CG LYS A 91 -10.144 -16.751 -3.968 1.00 0.00 C ATOM 1348 CD LYS A 91 -11.620 -16.610 -3.591 1.00 0.00 C ATOM 1349 CE LYS A 91 -11.797 -16.567 -2.072 1.00 0.00 C ATOM 1350 NZ LYS A 91 -13.020 -17.297 -1.672 1.00 0.00 N ATOM 0 H LYS A 91 -8.467 -14.674 -5.598 1.00 0.00 H new ATOM 0 HA LYS A 91 -8.025 -17.408 -5.106 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.349 -15.693 -5.837 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -10.515 -17.432 -5.981 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.766 -17.711 -3.617 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.562 -15.977 -3.468 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -12.027 -15.701 -4.034 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -12.186 -17.446 -4.003 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.927 -17.009 -1.586 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -11.858 -15.532 -1.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -13.125 -17.258 -0.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -13.849 -16.858 -2.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -12.947 -18.289 -1.975 1.00 0.00 H new ATOM 1364 N GLN A 92 -8.568 -16.659 -8.262 1.00 0.00 N ATOM 1365 CA GLN A 92 -8.392 -17.148 -9.619 1.00 0.00 C ATOM 1366 C GLN A 92 -6.938 -17.567 -9.848 1.00 0.00 C ATOM 1367 O GLN A 92 -6.672 -18.692 -10.266 1.00 0.00 O ATOM 1368 CB GLN A 92 -8.827 -16.096 -10.641 1.00 0.00 C ATOM 1369 CG GLN A 92 -10.258 -15.627 -10.370 1.00 0.00 C ATOM 1370 CD GLN A 92 -11.209 -16.104 -11.469 1.00 0.00 C ATOM 1371 OE1 GLN A 92 -10.932 -16.002 -12.653 1.00 0.00 O ATOM 1372 NE2 GLN A 92 -12.343 -16.630 -11.013 1.00 0.00 N ATOM 0 H GLN A 92 -8.964 -15.722 -8.194 1.00 0.00 H new ATOM 0 HA GLN A 92 -9.027 -18.023 -9.755 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -8.148 -15.244 -10.603 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -8.761 -16.512 -11.647 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -10.592 -16.007 -9.405 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -10.283 -14.539 -10.310 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -12.512 -16.685 -10.009 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -13.043 -16.978 -11.668 1.00 0.00 H new ATOM 1381 N PHE A 93 -6.037 -16.638 -9.565 1.00 0.00 N ATOM 1382 CA PHE A 93 -4.617 -16.897 -9.735 1.00 0.00 C ATOM 1383 C PHE A 93 -4.199 -18.168 -8.995 1.00 0.00 C ATOM 1384 O PHE A 93 -3.339 -18.911 -9.466 1.00 0.00 O ATOM 1385 CB PHE A 93 -3.870 -15.703 -9.137 1.00 0.00 C ATOM 1386 CG PHE A 93 -2.373 -15.944 -8.935 1.00 0.00 C ATOM 1387 CD1 PHE A 93 -1.560 -16.116 -10.012 1.00 0.00 C ATOM 1388 CD2 PHE A 93 -1.855 -15.986 -7.678 1.00 0.00 C ATOM 1389 CE1 PHE A 93 -0.170 -16.340 -9.823 1.00 0.00 C ATOM 1390 CE2 PHE A 93 -0.465 -16.210 -7.490 1.00 0.00 C ATOM 1391 CZ PHE A 93 0.348 -16.382 -8.567 1.00 0.00 C ATOM 0 H PHE A 93 -6.262 -15.705 -9.219 1.00 0.00 H new ATOM 0 HA PHE A 93 -4.387 -17.033 -10.792 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -4.004 -14.840 -9.789 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -4.320 -15.450 -8.177 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -1.971 -16.082 -11.010 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -2.500 -15.849 -6.823 1.00 0.00 H new ATOM 0 HE1 PHE A 93 0.476 -16.477 -10.678 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -0.054 -16.244 -6.492 1.00 0.00 H new ATOM 0 HZ PHE A 93 1.405 -16.552 -8.424 1.00 0.00 H new ATOM 1401 N TRP A 94 -4.826 -18.380 -7.847 1.00 0.00 N ATOM 1402 CA TRP A 94 -4.530 -19.549 -7.036 1.00 0.00 C ATOM 1403 C TRP A 94 -5.021 -20.785 -7.792 1.00 0.00 C ATOM 1404 O TRP A 94 -4.422 -21.855 -7.694 1.00 0.00 O ATOM 1405 CB TRP A 94 -5.144 -19.418 -5.641 1.00 0.00 C ATOM 1406 CG TRP A 94 -4.243 -18.708 -4.628 1.00 0.00 C ATOM 1407 CD1 TRP A 94 -2.904 -18.644 -4.618 1.00 0.00 C ATOM 1408 CD2 TRP A 94 -4.672 -17.959 -3.472 1.00 0.00 C ATOM 1409 NE1 TRP A 94 -2.442 -17.912 -3.543 1.00 0.00 N ATOM 1410 CE2 TRP A 94 -3.551 -17.481 -2.825 1.00 0.00 C ATOM 1411 CE3 TRP A 94 -5.966 -17.693 -2.990 1.00 0.00 C ATOM 1412 CZ2 TRP A 94 -3.610 -16.709 -1.658 1.00 0.00 C ATOM 1413 CZ3 TRP A 94 -6.007 -16.920 -1.823 1.00 0.00 C ATOM 1414 CH2 TRP A 94 -4.888 -16.432 -1.159 1.00 0.00 C ATOM 0 H TRP A 94 -5.538 -17.761 -7.459 1.00 0.00 H new ATOM 0 HA TRP A 94 -3.456 -19.644 -6.873 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -6.085 -18.873 -5.719 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -5.382 -20.413 -5.265 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -2.267 -19.107 -5.358 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -1.466 -17.722 -3.317 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -6.857 -18.056 -3.481 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -2.717 -16.347 -1.169 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -6.977 -16.687 -1.410 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -5.004 -15.842 -0.262 1.00 0.00 H new ATOM 1425 N ASN A 95 -6.106 -20.597 -8.529 1.00 0.00 N ATOM 1426 CA ASN A 95 -6.684 -21.683 -9.301 1.00 0.00 C ATOM 1427 C ASN A 95 -5.898 -21.852 -10.603 1.00 0.00 C ATOM 1428 O ASN A 95 -6.084 -22.834 -11.321 1.00 0.00 O ATOM 1429 CB ASN A 95 -8.141 -21.387 -9.663 1.00 0.00 C ATOM 1430 CG ASN A 95 -8.868 -22.662 -10.095 1.00 0.00 C ATOM 1431 OD1 ASN A 95 -9.099 -22.910 -11.267 1.00 0.00 O ATOM 1432 ND2 ASN A 95 -9.215 -23.455 -9.085 1.00 0.00 N ATOM 0 H ASN A 95 -6.600 -19.708 -8.608 1.00 0.00 H new ATOM 0 HA ASN A 95 -6.640 -22.588 -8.695 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -8.650 -20.946 -8.806 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -8.178 -20.653 -10.468 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -9.705 -24.330 -9.269 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -8.991 -23.188 -8.126 1.00 0.00 H new ATOM 1439 N LYS A 96 -5.037 -20.881 -10.868 1.00 0.00 N ATOM 1440 CA LYS A 96 -4.223 -20.910 -12.071 1.00 0.00 C ATOM 1441 C LYS A 96 -2.851 -21.499 -11.738 1.00 0.00 C ATOM 1442 O LYS A 96 -2.595 -22.673 -12.002 1.00 0.00 O ATOM 1443 CB LYS A 96 -4.157 -19.520 -12.707 1.00 0.00 C ATOM 1444 CG LYS A 96 -5.549 -19.042 -13.125 1.00 0.00 C ATOM 1445 CD LYS A 96 -5.486 -18.241 -14.427 1.00 0.00 C ATOM 1446 CE LYS A 96 -6.879 -18.079 -15.040 1.00 0.00 C ATOM 1447 NZ LYS A 96 -6.798 -18.076 -16.517 1.00 0.00 N ATOM 0 H LYS A 96 -4.885 -20.069 -10.270 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.676 -21.558 -12.822 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -3.723 -18.813 -12.000 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -3.501 -19.545 -13.577 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -6.209 -19.900 -13.253 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -5.978 -18.426 -12.335 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -5.054 -17.259 -14.233 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -4.829 -18.744 -15.136 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -7.526 -18.891 -14.707 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -7.330 -17.149 -14.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -7.752 -17.965 -16.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -6.198 -17.287 -16.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -6.388 -18.974 -16.844 1.00 0.00 H new ATOM 1461 N SER A 97 -2.004 -20.657 -11.164 1.00 0.00 N ATOM 1462 CA SER A 97 -0.664 -21.080 -10.793 1.00 0.00 C ATOM 1463 C SER A 97 -0.616 -21.415 -9.301 1.00 0.00 C ATOM 1464 O SER A 97 -1.450 -20.946 -8.529 1.00 0.00 O ATOM 1465 CB SER A 97 0.367 -20.000 -11.128 1.00 0.00 C ATOM 1466 OG SER A 97 0.510 -19.816 -12.534 1.00 0.00 O ATOM 0 H SER A 97 -2.220 -19.684 -10.947 1.00 0.00 H new ATOM 0 HA SER A 97 -0.415 -21.972 -11.368 1.00 0.00 H new ATOM 0 HB2 SER A 97 0.068 -19.058 -10.668 1.00 0.00 H new ATOM 0 HB3 SER A 97 1.331 -20.273 -10.698 1.00 0.00 H new ATOM 0 HG SER A 97 0.599 -18.860 -12.731 1.00 0.00 H new ATOM 1472 N ALA A 98 0.370 -22.224 -8.941 1.00 0.00 N ATOM 1473 CA ALA A 98 0.538 -22.627 -7.555 1.00 0.00 C ATOM 1474 C ALA A 98 1.612 -21.756 -6.901 1.00 0.00 C ATOM 1475 O ALA A 98 2.805 -22.006 -7.067 1.00 0.00 O ATOM 1476 CB ALA A 98 0.880 -24.117 -7.494 1.00 0.00 C ATOM 0 H ALA A 98 1.060 -22.611 -9.585 1.00 0.00 H new ATOM 0 HA ALA A 98 -0.388 -22.482 -6.999 1.00 0.00 H new ATOM 0 HB1 ALA A 98 1.006 -24.419 -6.454 1.00 0.00 H new ATOM 0 HB2 ALA A 98 0.073 -24.694 -7.944 1.00 0.00 H new ATOM 0 HB3 ALA A 98 1.805 -24.301 -8.040 1.00 0.00 H new ATOM 1482 N HIS A 99 1.151 -20.750 -6.172 1.00 0.00 N ATOM 1483 CA HIS A 99 2.057 -19.841 -5.493 1.00 0.00 C ATOM 1484 C HIS A 99 1.315 -19.125 -4.363 1.00 0.00 C ATOM 1485 O HIS A 99 0.091 -19.007 -4.396 1.00 0.00 O ATOM 1486 CB HIS A 99 2.700 -18.871 -6.487 1.00 0.00 C ATOM 1487 CG HIS A 99 3.243 -17.613 -5.854 1.00 0.00 C ATOM 1488 ND1 HIS A 99 4.297 -17.619 -4.957 1.00 0.00 N ATOM 1489 CD2 HIS A 99 2.868 -16.309 -5.998 1.00 0.00 C ATOM 1490 CE1 HIS A 99 4.536 -16.370 -4.584 1.00 0.00 C ATOM 1491 NE2 HIS A 99 3.649 -15.560 -5.229 1.00 0.00 N ATOM 0 H HIS A 99 0.161 -20.545 -6.037 1.00 0.00 H new ATOM 0 HA HIS A 99 2.874 -20.405 -5.044 1.00 0.00 H new ATOM 0 HB2 HIS A 99 3.510 -19.383 -7.006 1.00 0.00 H new ATOM 0 HB3 HIS A 99 1.962 -18.597 -7.241 1.00 0.00 H new ATOM 0 HD1 HIS A 99 4.804 -18.444 -4.637 1.00 0.00 H new ATOM 0 HD2 HIS A 99 2.071 -15.947 -6.631 1.00 0.00 H new ATOM 0 HE1 HIS A 99 5.300 -16.050 -3.891 1.00 0.00 H new ATOM 1499 N ARG A 100 2.086 -18.665 -3.389 1.00 0.00 N ATOM 1500 CA ARG A 100 1.517 -17.964 -2.251 1.00 0.00 C ATOM 1501 C ARG A 100 2.189 -16.600 -2.076 1.00 0.00 C ATOM 1502 O ARG A 100 3.212 -16.490 -1.402 1.00 0.00 O ATOM 1503 CB ARG A 100 1.684 -18.775 -0.964 1.00 0.00 C ATOM 1504 CG ARG A 100 0.371 -19.453 -0.569 1.00 0.00 C ATOM 1505 CD ARG A 100 -0.528 -18.494 0.215 1.00 0.00 C ATOM 1506 NE ARG A 100 -0.102 -18.446 1.631 1.00 0.00 N ATOM 1507 CZ ARG A 100 -0.726 -17.734 2.579 1.00 0.00 C ATOM 1508 NH1 ARG A 100 -1.807 -17.006 2.268 1.00 0.00 N ATOM 1509 NH2 ARG A 100 -0.269 -17.749 3.839 1.00 0.00 N ATOM 0 H ARG A 100 3.101 -18.764 -3.365 1.00 0.00 H new ATOM 0 HA ARG A 100 0.453 -17.827 -2.446 1.00 0.00 H new ATOM 0 HB2 ARG A 100 2.459 -19.529 -1.103 1.00 0.00 H new ATOM 0 HB3 ARG A 100 2.016 -18.121 -0.158 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -0.149 -19.795 -1.464 1.00 0.00 H new ATOM 0 HG3 ARG A 100 0.581 -20.336 0.035 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -0.479 -17.497 -0.222 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -1.566 -18.820 0.150 1.00 0.00 H new ATOM 0 HE ARG A 100 0.718 -18.989 1.902 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -2.155 -16.994 1.309 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -2.282 -16.464 2.990 1.00 0.00 H new ATOM 0 HH21 ARG A 100 0.554 -18.303 4.076 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -0.744 -17.207 4.560 1.00 0.00 H new ATOM 1523 N PRO A 101 1.572 -15.569 -2.713 1.00 0.00 N ATOM 1524 CA PRO A 101 2.099 -14.218 -2.635 1.00 0.00 C ATOM 1525 C PRO A 101 1.809 -13.594 -1.269 1.00 0.00 C ATOM 1526 O PRO A 101 0.953 -14.079 -0.530 1.00 0.00 O ATOM 1527 CB PRO A 101 1.438 -13.471 -3.782 1.00 0.00 C ATOM 1528 CG PRO A 101 0.222 -14.296 -4.171 1.00 0.00 C ATOM 1529 CD PRO A 101 0.359 -15.663 -3.521 1.00 0.00 C ATOM 0 HA PRO A 101 3.184 -14.184 -2.728 1.00 0.00 H new ATOM 0 HB2 PRO A 101 1.147 -12.466 -3.477 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.122 -13.363 -4.624 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -0.694 -13.806 -3.840 1.00 0.00 H new ATOM 0 HG3 PRO A 101 0.158 -14.393 -5.255 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -0.510 -15.898 -2.906 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.442 -16.451 -4.270 1.00 0.00 H new ATOM 1537 N HIS A 102 2.537 -12.527 -0.975 1.00 0.00 N ATOM 1538 CA HIS A 102 2.368 -11.831 0.290 1.00 0.00 C ATOM 1539 C HIS A 102 1.221 -10.825 0.173 1.00 0.00 C ATOM 1540 O HIS A 102 1.375 -9.772 -0.445 1.00 0.00 O ATOM 1541 CB HIS A 102 3.681 -11.184 0.734 1.00 0.00 C ATOM 1542 CG HIS A 102 4.874 -12.109 0.670 1.00 0.00 C ATOM 1543 ND1 HIS A 102 4.895 -13.348 1.286 1.00 0.00 N ATOM 1544 CD2 HIS A 102 6.083 -11.963 0.057 1.00 0.00 C ATOM 1545 CE1 HIS A 102 6.069 -13.913 1.048 1.00 0.00 C ATOM 1546 NE2 HIS A 102 6.805 -13.053 0.287 1.00 0.00 N ATOM 0 H HIS A 102 3.245 -12.127 -1.591 1.00 0.00 H new ATOM 0 HA HIS A 102 2.101 -12.545 1.069 1.00 0.00 H new ATOM 0 HB2 HIS A 102 3.875 -10.313 0.108 1.00 0.00 H new ATOM 0 HB3 HIS A 102 3.569 -10.823 1.756 1.00 0.00 H new ATOM 0 HD2 HIS A 102 6.400 -11.106 -0.518 1.00 0.00 H new ATOM 0 HE1 HIS A 102 6.388 -14.885 1.396 1.00 0.00 H new ATOM 0 HE2 HIS A 102 7.753 -13.220 -0.050 1.00 0.00 H new ATOM 1554 N VAL A 103 0.098 -11.184 0.776 1.00 0.00 N ATOM 1555 CA VAL A 103 -1.074 -10.325 0.747 1.00 0.00 C ATOM 1556 C VAL A 103 -1.064 -9.414 1.976 1.00 0.00 C ATOM 1557 O VAL A 103 -1.268 -9.876 3.097 1.00 0.00 O ATOM 1558 CB VAL A 103 -2.343 -11.175 0.643 1.00 0.00 C ATOM 1559 CG1 VAL A 103 -3.595 -10.296 0.671 1.00 0.00 C ATOM 1560 CG2 VAL A 103 -2.315 -12.050 -0.612 1.00 0.00 C ATOM 0 H VAL A 103 -0.026 -12.058 1.288 1.00 0.00 H new ATOM 0 HA VAL A 103 -1.055 -9.683 -0.134 1.00 0.00 H new ATOM 0 HB VAL A 103 -2.377 -11.834 1.510 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.482 -10.924 0.596 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -3.625 -9.736 1.605 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -3.570 -9.601 -0.168 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -3.228 -12.644 -0.662 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.246 -11.416 -1.496 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -1.452 -12.714 -0.573 1.00 0.00 H new ATOM 1570 N VAL A 104 -0.825 -8.136 1.723 1.00 0.00 N ATOM 1571 CA VAL A 104 -0.785 -7.155 2.795 1.00 0.00 C ATOM 1572 C VAL A 104 -1.567 -5.910 2.371 1.00 0.00 C ATOM 1573 O VAL A 104 -2.065 -5.838 1.249 1.00 0.00 O ATOM 1574 CB VAL A 104 0.666 -6.851 3.172 1.00 0.00 C ATOM 1575 CG1 VAL A 104 1.350 -8.086 3.762 1.00 0.00 C ATOM 1576 CG2 VAL A 104 1.444 -6.315 1.969 1.00 0.00 C ATOM 0 H VAL A 104 -0.657 -7.757 0.791 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.264 -7.549 3.692 1.00 0.00 H new ATOM 0 HB VAL A 104 0.658 -6.075 3.938 1.00 0.00 H new ATOM 0 HG11 VAL A 104 2.380 -7.842 4.021 1.00 0.00 H new ATOM 0 HG12 VAL A 104 0.816 -8.405 4.657 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.342 -8.892 3.028 1.00 0.00 H new ATOM 0 HG21 VAL A 104 2.472 -6.107 2.264 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.439 -7.058 1.172 1.00 0.00 H new ATOM 0 HG23 VAL A 104 0.976 -5.397 1.613 1.00 0.00 H new ATOM 1586 N GLY A 105 -1.649 -4.961 3.291 1.00 0.00 N ATOM 1587 CA GLY A 105 -2.361 -3.722 3.026 1.00 0.00 C ATOM 1588 C GLY A 105 -1.388 -2.592 2.683 1.00 0.00 C ATOM 1589 O GLY A 105 -0.262 -2.566 3.178 1.00 0.00 O ATOM 0 H GLY A 105 -1.234 -5.025 4.221 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -3.059 -3.869 2.201 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -2.953 -3.445 3.898 1.00 0.00 H new ATOM 1593 N ALA A 106 -1.858 -1.686 1.838 1.00 0.00 N ATOM 1594 CA ALA A 106 -1.043 -0.557 1.423 1.00 0.00 C ATOM 1595 C ALA A 106 -0.292 -0.003 2.635 1.00 0.00 C ATOM 1596 O ALA A 106 0.844 0.452 2.511 1.00 0.00 O ATOM 1597 CB ALA A 106 -1.931 0.495 0.756 1.00 0.00 C ATOM 0 H ALA A 106 -2.792 -1.711 1.430 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.300 -0.869 0.689 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -1.320 1.342 0.444 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -2.419 0.059 -0.116 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -2.688 0.834 1.464 1.00 0.00 H new ATOM 1603 N LYS A 107 -0.957 -0.058 3.780 1.00 0.00 N ATOM 1604 CA LYS A 107 -0.367 0.433 5.013 1.00 0.00 C ATOM 1605 C LYS A 107 1.107 0.025 5.066 1.00 0.00 C ATOM 1606 O LYS A 107 1.973 0.851 5.348 1.00 0.00 O ATOM 1607 CB LYS A 107 -1.179 -0.039 6.221 1.00 0.00 C ATOM 1608 CG LYS A 107 -1.063 0.952 7.381 1.00 0.00 C ATOM 1609 CD LYS A 107 -2.329 0.940 8.240 1.00 0.00 C ATOM 1610 CE LYS A 107 -2.065 1.563 9.613 1.00 0.00 C ATOM 1611 NZ LYS A 107 -3.046 2.636 9.892 1.00 0.00 N ATOM 0 H LYS A 107 -1.899 -0.435 3.879 1.00 0.00 H new ATOM 0 HA LYS A 107 -0.398 1.522 5.043 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -2.226 -0.152 5.938 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -0.827 -1.020 6.540 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -0.199 0.698 7.996 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -0.893 1.956 6.991 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -3.122 1.490 7.733 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -2.680 -0.085 8.363 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -2.127 0.796 10.385 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -1.054 1.969 9.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -2.853 3.048 10.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -2.968 3.375 9.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -4.007 2.239 9.880 1.00 0.00 H new ATOM 1625 N TRP A 108 1.346 -1.248 4.789 1.00 0.00 N ATOM 1626 CA TRP A 108 2.700 -1.776 4.802 1.00 0.00 C ATOM 1627 C TRP A 108 3.532 -0.963 3.808 1.00 0.00 C ATOM 1628 O TRP A 108 4.509 -0.321 4.191 1.00 0.00 O ATOM 1629 CB TRP A 108 2.706 -3.276 4.502 1.00 0.00 C ATOM 1630 CG TRP A 108 4.084 -3.831 4.136 1.00 0.00 C ATOM 1631 CD1 TRP A 108 5.021 -4.323 4.958 1.00 0.00 C ATOM 1632 CD2 TRP A 108 4.646 -3.932 2.810 1.00 0.00 C ATOM 1633 NE1 TRP A 108 6.141 -4.731 4.263 1.00 0.00 N ATOM 1634 CE2 TRP A 108 5.905 -4.486 2.915 1.00 0.00 C ATOM 1635 CE3 TRP A 108 4.108 -3.567 1.564 1.00 0.00 C ATOM 1636 CZ2 TRP A 108 6.732 -4.725 1.811 1.00 0.00 C ATOM 1637 CZ3 TRP A 108 4.947 -3.813 0.470 1.00 0.00 C ATOM 1638 CH2 TRP A 108 6.217 -4.370 0.559 1.00 0.00 C ATOM 0 H TRP A 108 0.625 -1.930 4.554 1.00 0.00 H new ATOM 0 HA TRP A 108 3.145 -1.676 5.792 1.00 0.00 H new ATOM 0 HB2 TRP A 108 2.329 -3.812 5.373 1.00 0.00 H new ATOM 0 HB3 TRP A 108 2.016 -3.475 3.682 1.00 0.00 H new ATOM 0 HD1 TRP A 108 4.913 -4.392 6.030 1.00 0.00 H new ATOM 0 HE1 TRP A 108 6.986 -5.137 4.664 1.00 0.00 H new ATOM 0 HE3 TRP A 108 3.125 -3.131 1.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 7.715 -5.160 1.920 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 4.581 -3.551 -0.512 1.00 0.00 H new ATOM 0 HH2 TRP A 108 6.804 -4.528 -0.334 1.00 0.00 H new ATOM 1649 N LEU A 109 3.116 -1.019 2.552 1.00 0.00 N ATOM 1650 CA LEU A 109 3.811 -0.296 1.500 1.00 0.00 C ATOM 1651 C LEU A 109 4.246 1.072 2.029 1.00 0.00 C ATOM 1652 O LEU A 109 5.402 1.463 1.873 1.00 0.00 O ATOM 1653 CB LEU A 109 2.947 -0.221 0.240 1.00 0.00 C ATOM 1654 CG LEU A 109 3.553 -0.832 -1.026 1.00 0.00 C ATOM 1655 CD1 LEU A 109 2.755 -0.426 -2.267 1.00 0.00 C ATOM 1656 CD2 LEU A 109 5.034 -0.472 -1.153 1.00 0.00 C ATOM 0 H LEU A 109 2.306 -1.554 2.238 1.00 0.00 H new ATOM 0 HA LEU A 109 4.716 -0.828 1.207 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.999 -0.720 0.443 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.719 0.826 0.041 1.00 0.00 H new ATOM 0 HG LEU A 109 3.491 -1.917 -0.945 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.207 -0.873 -3.152 1.00 0.00 H new ATOM 0 HD12 LEU A 109 1.727 -0.775 -2.169 1.00 0.00 H new ATOM 0 HD13 LEU A 109 2.762 0.660 -2.365 1.00 0.00 H new ATOM 0 HD21 LEU A 109 5.440 -0.918 -2.061 1.00 0.00 H new ATOM 0 HD22 LEU A 109 5.142 0.612 -1.202 1.00 0.00 H new ATOM 0 HD23 LEU A 109 5.576 -0.852 -0.287 1.00 0.00 H new ATOM 1668 N LEU A 110 3.297 1.762 2.645 1.00 0.00 N ATOM 1669 CA LEU A 110 3.568 3.078 3.198 1.00 0.00 C ATOM 1670 C LEU A 110 4.737 2.983 4.180 1.00 0.00 C ATOM 1671 O LEU A 110 5.795 3.566 3.949 1.00 0.00 O ATOM 1672 CB LEU A 110 2.298 3.674 3.810 1.00 0.00 C ATOM 1673 CG LEU A 110 1.057 3.668 2.916 1.00 0.00 C ATOM 1674 CD1 LEU A 110 -0.151 4.254 3.650 1.00 0.00 C ATOM 1675 CD2 LEU A 110 1.329 4.391 1.595 1.00 0.00 C ATOM 0 H LEU A 110 2.340 1.434 2.773 1.00 0.00 H new ATOM 0 HA LEU A 110 3.869 3.768 2.409 1.00 0.00 H new ATOM 0 HB2 LEU A 110 2.066 3.126 4.723 1.00 0.00 H new ATOM 0 HB3 LEU A 110 2.507 4.703 4.101 1.00 0.00 H new ATOM 0 HG LEU A 110 0.816 2.633 2.674 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -1.020 4.238 2.992 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -0.359 3.660 4.540 1.00 0.00 H new ATOM 0 HD13 LEU A 110 0.064 5.282 3.942 1.00 0.00 H new ATOM 0 HD21 LEU A 110 0.431 4.372 0.978 1.00 0.00 H new ATOM 0 HD22 LEU A 110 1.609 5.425 1.797 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.142 3.892 1.068 1.00 0.00 H new ATOM 1687 N GLU A 111 4.507 2.244 5.255 1.00 0.00 N ATOM 1688 CA GLU A 111 5.528 2.065 6.273 1.00 0.00 C ATOM 1689 C GLU A 111 6.893 1.836 5.621 1.00 0.00 C ATOM 1690 O GLU A 111 7.900 2.381 6.072 1.00 0.00 O ATOM 1691 CB GLU A 111 5.169 0.913 7.214 1.00 0.00 C ATOM 1692 CG GLU A 111 3.786 1.122 7.834 1.00 0.00 C ATOM 1693 CD GLU A 111 3.895 1.401 9.335 1.00 0.00 C ATOM 1694 OE1 GLU A 111 5.001 1.802 9.759 1.00 0.00 O ATOM 1695 OE2 GLU A 111 2.870 1.208 10.023 1.00 0.00 O ATOM 0 H GLU A 111 3.628 1.762 5.443 1.00 0.00 H new ATOM 0 HA GLU A 111 5.581 2.975 6.871 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.187 -0.029 6.665 1.00 0.00 H new ATOM 0 HB3 GLU A 111 5.917 0.836 8.003 1.00 0.00 H new ATOM 0 HG2 GLU A 111 3.285 1.955 7.341 1.00 0.00 H new ATOM 0 HG3 GLU A 111 3.172 0.237 7.669 1.00 0.00 H new ATOM 1702 N CYS A 112 6.884 1.028 4.571 1.00 0.00 N ATOM 1703 CA CYS A 112 8.108 0.720 3.853 1.00 0.00 C ATOM 1704 C CYS A 112 8.713 2.032 3.350 1.00 0.00 C ATOM 1705 O CYS A 112 9.854 2.358 3.674 1.00 0.00 O ATOM 1706 CB CYS A 112 7.861 -0.269 2.712 1.00 0.00 C ATOM 1707 SG CYS A 112 7.261 -1.862 3.383 1.00 0.00 S ATOM 0 H CYS A 112 6.047 0.577 4.200 1.00 0.00 H new ATOM 0 HA CYS A 112 8.813 0.230 4.525 1.00 0.00 H new ATOM 0 HB2 CYS A 112 7.129 0.141 2.017 1.00 0.00 H new ATOM 0 HB3 CYS A 112 8.782 -0.425 2.150 1.00 0.00 H new ATOM 0 HG CYS A 112 6.950 -2.656 2.402 1.00 0.00 H new ATOM 1713 N PHE A 113 7.922 2.750 2.566 1.00 0.00 N ATOM 1714 CA PHE A 113 8.365 4.019 2.015 1.00 0.00 C ATOM 1715 C PHE A 113 8.511 5.073 3.115 1.00 0.00 C ATOM 1716 O PHE A 113 9.028 6.162 2.871 1.00 0.00 O ATOM 1717 CB PHE A 113 7.291 4.477 1.026 1.00 0.00 C ATOM 1718 CG PHE A 113 7.463 3.911 -0.385 1.00 0.00 C ATOM 1719 CD1 PHE A 113 6.998 2.668 -0.680 1.00 0.00 C ATOM 1720 CD2 PHE A 113 8.081 4.652 -1.344 1.00 0.00 C ATOM 1721 CE1 PHE A 113 7.157 2.143 -1.990 1.00 0.00 C ATOM 1722 CE2 PHE A 113 8.241 4.127 -2.653 1.00 0.00 C ATOM 1723 CZ PHE A 113 7.775 2.883 -2.949 1.00 0.00 C ATOM 0 H PHE A 113 6.976 2.477 2.299 1.00 0.00 H new ATOM 0 HA PHE A 113 9.336 3.897 1.534 1.00 0.00 H new ATOM 0 HB2 PHE A 113 6.312 4.185 1.407 1.00 0.00 H new ATOM 0 HB3 PHE A 113 7.300 5.566 0.973 1.00 0.00 H new ATOM 0 HD1 PHE A 113 6.508 2.080 0.082 1.00 0.00 H new ATOM 0 HD2 PHE A 113 8.450 5.640 -1.109 1.00 0.00 H new ATOM 0 HE1 PHE A 113 6.787 1.156 -2.225 1.00 0.00 H new ATOM 0 HE2 PHE A 113 8.733 4.715 -3.414 1.00 0.00 H new ATOM 0 HZ PHE A 113 7.896 2.484 -3.945 1.00 0.00 H new ATOM 1733 N SER A 114 8.047 4.711 4.302 1.00 0.00 N ATOM 1734 CA SER A 114 8.120 5.612 5.440 1.00 0.00 C ATOM 1735 C SER A 114 9.416 5.370 6.217 1.00 0.00 C ATOM 1736 O SER A 114 10.094 6.318 6.610 1.00 0.00 O ATOM 1737 CB SER A 114 6.909 5.437 6.359 1.00 0.00 C ATOM 1738 OG SER A 114 6.914 6.374 7.433 1.00 0.00 O ATOM 0 H SER A 114 7.619 3.807 4.501 1.00 0.00 H new ATOM 0 HA SER A 114 8.114 6.636 5.067 1.00 0.00 H new ATOM 0 HB2 SER A 114 5.994 5.555 5.779 1.00 0.00 H new ATOM 0 HB3 SER A 114 6.903 4.424 6.762 1.00 0.00 H new ATOM 0 HG SER A 114 6.125 6.231 7.996 1.00 0.00 H new ATOM 1744 N LYS A 115 9.720 4.096 6.415 1.00 0.00 N ATOM 1745 CA LYS A 115 10.923 3.718 7.138 1.00 0.00 C ATOM 1746 C LYS A 115 12.127 3.810 6.199 1.00 0.00 C ATOM 1747 O LYS A 115 13.265 3.928 6.652 1.00 0.00 O ATOM 1748 CB LYS A 115 10.750 2.341 7.782 1.00 0.00 C ATOM 1749 CG LYS A 115 9.362 2.201 8.412 1.00 0.00 C ATOM 1750 CD LYS A 115 9.464 2.028 9.929 1.00 0.00 C ATOM 1751 CE LYS A 115 8.519 0.929 10.419 1.00 0.00 C ATOM 1752 NZ LYS A 115 8.339 1.015 11.885 1.00 0.00 N ATOM 0 H LYS A 115 9.155 3.313 6.088 1.00 0.00 H new ATOM 0 HA LYS A 115 11.106 4.409 7.961 1.00 0.00 H new ATOM 0 HB2 LYS A 115 10.893 1.564 7.031 1.00 0.00 H new ATOM 0 HB3 LYS A 115 11.516 2.193 8.544 1.00 0.00 H new ATOM 0 HG2 LYS A 115 8.764 3.083 8.182 1.00 0.00 H new ATOM 0 HG3 LYS A 115 8.846 1.344 7.978 1.00 0.00 H new ATOM 0 HD2 LYS A 115 10.490 1.780 10.202 1.00 0.00 H new ATOM 0 HD3 LYS A 115 9.221 2.969 10.423 1.00 0.00 H new ATOM 0 HE2 LYS A 115 7.553 1.023 9.922 1.00 0.00 H new ATOM 0 HE3 LYS A 115 8.920 -0.049 10.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 7.695 0.262 12.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 9.260 0.902 12.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 7.936 1.941 12.131 1.00 0.00 H new ATOM 1766 N GLY A 116 11.836 3.753 4.907 1.00 0.00 N ATOM 1767 CA GLY A 116 12.881 3.829 3.901 1.00 0.00 C ATOM 1768 C GLY A 116 13.310 2.431 3.450 1.00 0.00 C ATOM 1769 O GLY A 116 14.051 2.288 2.478 1.00 0.00 O ATOM 0 H GLY A 116 10.892 3.655 4.534 1.00 0.00 H new ATOM 0 HA2 GLY A 116 12.524 4.398 3.043 1.00 0.00 H new ATOM 0 HA3 GLY A 116 13.740 4.365 4.304 1.00 0.00 H new ATOM 1773 N TYR A 117 12.827 1.435 4.178 1.00 0.00 N ATOM 1774 CA TYR A 117 13.152 0.053 3.865 1.00 0.00 C ATOM 1775 C TYR A 117 11.932 -0.852 4.050 1.00 0.00 C ATOM 1776 O TYR A 117 11.013 -0.516 4.795 1.00 0.00 O ATOM 1777 CB TYR A 117 14.236 -0.361 4.862 1.00 0.00 C ATOM 1778 CG TYR A 117 13.919 0.005 6.313 1.00 0.00 C ATOM 1779 CD1 TYR A 117 13.009 -0.745 7.031 1.00 0.00 C ATOM 1780 CD2 TYR A 117 14.543 1.084 6.904 1.00 0.00 C ATOM 1781 CE1 TYR A 117 12.712 -0.400 8.397 1.00 0.00 C ATOM 1782 CE2 TYR A 117 14.245 1.429 8.270 1.00 0.00 C ATOM 1783 CZ TYR A 117 13.344 0.670 8.949 1.00 0.00 C ATOM 1784 OH TYR A 117 13.063 0.996 10.240 1.00 0.00 O ATOM 0 H TYR A 117 12.213 1.557 4.983 1.00 0.00 H new ATOM 0 HA TYR A 117 13.479 -0.040 2.829 1.00 0.00 H new ATOM 0 HB2 TYR A 117 14.385 -1.439 4.794 1.00 0.00 H new ATOM 0 HB3 TYR A 117 15.177 0.110 4.577 1.00 0.00 H new ATOM 0 HD1 TYR A 117 12.520 -1.590 6.568 1.00 0.00 H new ATOM 0 HD2 TYR A 117 15.255 1.670 6.342 1.00 0.00 H new ATOM 0 HE1 TYR A 117 12.003 -0.978 8.971 1.00 0.00 H new ATOM 0 HE2 TYR A 117 14.726 2.271 8.744 1.00 0.00 H new ATOM 0 HH TYR A 117 13.589 1.781 10.501 1.00 0.00 H new ATOM 1794 N MET A 118 11.963 -1.982 3.359 1.00 0.00 N ATOM 1795 CA MET A 118 10.872 -2.937 3.438 1.00 0.00 C ATOM 1796 C MET A 118 10.743 -3.507 4.852 1.00 0.00 C ATOM 1797 O MET A 118 11.746 -3.751 5.521 1.00 0.00 O ATOM 1798 CB MET A 118 11.119 -4.078 2.448 1.00 0.00 C ATOM 1799 CG MET A 118 11.062 -3.574 1.005 1.00 0.00 C ATOM 1800 SD MET A 118 11.857 -4.745 -0.083 1.00 0.00 S ATOM 1801 CE MET A 118 10.519 -5.902 -0.323 1.00 0.00 C ATOM 0 H MET A 118 12.727 -2.257 2.742 1.00 0.00 H new ATOM 0 HA MET A 118 9.945 -2.422 3.188 1.00 0.00 H new ATOM 0 HB2 MET A 118 12.093 -4.528 2.642 1.00 0.00 H new ATOM 0 HB3 MET A 118 10.373 -4.859 2.594 1.00 0.00 H new ATOM 0 HG2 MET A 118 10.025 -3.430 0.702 1.00 0.00 H new ATOM 0 HG3 MET A 118 11.554 -2.604 0.930 1.00 0.00 H new ATOM 0 HE1 MET A 118 10.846 -6.705 -0.983 1.00 0.00 H new ATOM 0 HE2 MET A 118 10.223 -6.321 0.639 1.00 0.00 H new ATOM 0 HE3 MET A 118 9.669 -5.387 -0.771 1.00 0.00 H new ATOM 1811 N LEU A 119 9.500 -3.703 5.266 1.00 0.00 N ATOM 1812 CA LEU A 119 9.226 -4.239 6.588 1.00 0.00 C ATOM 1813 C LEU A 119 8.535 -5.597 6.450 1.00 0.00 C ATOM 1814 O LEU A 119 8.242 -6.038 5.340 1.00 0.00 O ATOM 1815 CB LEU A 119 8.437 -3.229 7.424 1.00 0.00 C ATOM 1816 CG LEU A 119 8.697 -1.753 7.113 1.00 0.00 C ATOM 1817 CD1 LEU A 119 7.543 -0.878 7.605 1.00 0.00 C ATOM 1818 CD2 LEU A 119 10.043 -1.302 7.685 1.00 0.00 C ATOM 0 H LEU A 119 8.670 -3.500 4.708 1.00 0.00 H new ATOM 0 HA LEU A 119 10.156 -4.408 7.130 1.00 0.00 H new ATOM 0 HB2 LEU A 119 7.374 -3.427 7.288 1.00 0.00 H new ATOM 0 HB3 LEU A 119 8.662 -3.403 8.476 1.00 0.00 H new ATOM 0 HG LEU A 119 8.751 -1.636 6.031 1.00 0.00 H new ATOM 0 HD11 LEU A 119 7.753 0.166 7.372 1.00 0.00 H new ATOM 0 HD12 LEU A 119 6.620 -1.182 7.111 1.00 0.00 H new ATOM 0 HD13 LEU A 119 7.433 -0.994 8.683 1.00 0.00 H new ATOM 0 HD21 LEU A 119 10.204 -0.250 7.450 1.00 0.00 H new ATOM 0 HD22 LEU A 119 10.042 -1.437 8.767 1.00 0.00 H new ATOM 0 HD23 LEU A 119 10.843 -1.898 7.246 1.00 0.00 H new ATOM 1830 N SER A 120 8.293 -6.221 7.594 1.00 0.00 N ATOM 1831 CA SER A 120 7.641 -7.519 7.614 1.00 0.00 C ATOM 1832 C SER A 120 6.211 -7.395 7.084 1.00 0.00 C ATOM 1833 O SER A 120 5.555 -6.375 7.289 1.00 0.00 O ATOM 1834 CB SER A 120 7.634 -8.110 9.026 1.00 0.00 C ATOM 1835 OG SER A 120 8.940 -8.485 9.454 1.00 0.00 O ATOM 0 H SER A 120 8.537 -5.852 8.513 1.00 0.00 H new ATOM 0 HA SER A 120 8.203 -8.194 6.969 1.00 0.00 H new ATOM 0 HB2 SER A 120 7.220 -7.381 9.722 1.00 0.00 H new ATOM 0 HB3 SER A 120 6.980 -8.982 9.051 1.00 0.00 H new ATOM 0 HG SER A 120 8.893 -8.856 10.360 1.00 0.00 H new ATOM 1841 N GLU A 121 5.770 -8.449 6.412 1.00 0.00 N ATOM 1842 CA GLU A 121 4.431 -8.471 5.850 1.00 0.00 C ATOM 1843 C GLU A 121 3.468 -9.185 6.801 1.00 0.00 C ATOM 1844 O GLU A 121 2.262 -8.947 6.763 1.00 0.00 O ATOM 1845 CB GLU A 121 4.426 -9.128 4.469 1.00 0.00 C ATOM 1846 CG GLU A 121 5.216 -8.292 3.460 1.00 0.00 C ATOM 1847 CD GLU A 121 4.292 -7.708 2.389 1.00 0.00 C ATOM 1848 OE1 GLU A 121 3.692 -8.520 1.653 1.00 0.00 O ATOM 1849 OE2 GLU A 121 4.208 -6.462 2.331 1.00 0.00 O ATOM 0 H GLU A 121 6.317 -9.294 6.244 1.00 0.00 H new ATOM 0 HA GLU A 121 4.093 -7.442 5.727 1.00 0.00 H new ATOM 0 HB2 GLU A 121 4.858 -10.127 4.536 1.00 0.00 H new ATOM 0 HB3 GLU A 121 3.399 -9.247 4.123 1.00 0.00 H new ATOM 0 HG2 GLU A 121 5.734 -7.485 3.978 1.00 0.00 H new ATOM 0 HG3 GLU A 121 5.980 -8.911 2.989 1.00 0.00 H new ATOM 1856 N GLU A 122 4.038 -10.046 7.631 1.00 0.00 N ATOM 1857 CA GLU A 122 3.245 -10.797 8.590 1.00 0.00 C ATOM 1858 C GLU A 122 2.422 -9.844 9.460 1.00 0.00 C ATOM 1859 O GLU A 122 1.239 -10.082 9.700 1.00 0.00 O ATOM 1860 CB GLU A 122 4.134 -11.696 9.452 1.00 0.00 C ATOM 1861 CG GLU A 122 4.429 -13.018 8.741 1.00 0.00 C ATOM 1862 CD GLU A 122 5.038 -14.036 9.708 1.00 0.00 C ATOM 1863 OE1 GLU A 122 4.287 -14.499 10.593 1.00 0.00 O ATOM 1864 OE2 GLU A 122 6.242 -14.328 9.540 1.00 0.00 O ATOM 0 H GLU A 122 5.039 -10.240 7.660 1.00 0.00 H new ATOM 0 HA GLU A 122 2.558 -11.440 8.040 1.00 0.00 H new ATOM 0 HB2 GLU A 122 5.069 -11.182 9.675 1.00 0.00 H new ATOM 0 HB3 GLU A 122 3.643 -11.893 10.405 1.00 0.00 H new ATOM 0 HG2 GLU A 122 3.509 -13.420 8.316 1.00 0.00 H new ATOM 0 HG3 GLU A 122 5.114 -12.844 7.911 1.00 0.00 H new ATOM 1871 N PRO A 123 3.098 -8.757 9.920 1.00 0.00 N ATOM 1872 CA PRO A 123 2.442 -7.768 10.758 1.00 0.00 C ATOM 1873 C PRO A 123 1.509 -6.881 9.931 1.00 0.00 C ATOM 1874 O PRO A 123 0.908 -5.945 10.457 1.00 0.00 O ATOM 1875 CB PRO A 123 3.574 -6.993 11.411 1.00 0.00 C ATOM 1876 CG PRO A 123 4.808 -7.265 10.566 1.00 0.00 C ATOM 1877 CD PRO A 123 4.499 -8.443 9.656 1.00 0.00 C ATOM 0 HA PRO A 123 1.797 -8.217 11.513 1.00 0.00 H new ATOM 0 HB2 PRO A 123 3.350 -5.927 11.443 1.00 0.00 H new ATOM 0 HB3 PRO A 123 3.726 -7.317 12.440 1.00 0.00 H new ATOM 0 HG2 PRO A 123 5.069 -6.386 9.977 1.00 0.00 H new ATOM 0 HG3 PRO A 123 5.665 -7.488 11.202 1.00 0.00 H new ATOM 0 HD2 PRO A 123 4.657 -8.186 8.608 1.00 0.00 H new ATOM 0 HD3 PRO A 123 5.144 -9.294 9.876 1.00 0.00 H new ATOM 1885 N TYR A 124 1.417 -7.206 8.650 1.00 0.00 N ATOM 1886 CA TYR A 124 0.567 -6.451 7.745 1.00 0.00 C ATOM 1887 C TYR A 124 -0.170 -7.381 6.780 1.00 0.00 C ATOM 1888 O TYR A 124 -0.293 -7.080 5.594 1.00 0.00 O ATOM 1889 CB TYR A 124 1.505 -5.545 6.944 1.00 0.00 C ATOM 1890 CG TYR A 124 2.053 -4.358 7.740 1.00 0.00 C ATOM 1891 CD1 TYR A 124 1.308 -3.202 7.855 1.00 0.00 C ATOM 1892 CD2 TYR A 124 3.292 -4.444 8.342 1.00 0.00 C ATOM 1893 CE1 TYR A 124 1.824 -2.085 8.603 1.00 0.00 C ATOM 1894 CE2 TYR A 124 3.808 -3.328 9.091 1.00 0.00 C ATOM 1895 CZ TYR A 124 3.048 -2.203 9.184 1.00 0.00 C ATOM 1896 OH TYR A 124 3.535 -1.148 9.891 1.00 0.00 O ATOM 0 H TYR A 124 1.917 -7.982 8.217 1.00 0.00 H new ATOM 0 HA TYR A 124 -0.183 -5.890 8.302 1.00 0.00 H new ATOM 0 HB2 TYR A 124 2.341 -6.140 6.576 1.00 0.00 H new ATOM 0 HB3 TYR A 124 0.972 -5.169 6.071 1.00 0.00 H new ATOM 0 HD1 TYR A 124 0.338 -3.135 7.384 1.00 0.00 H new ATOM 0 HD2 TYR A 124 3.875 -5.349 8.251 1.00 0.00 H new ATOM 0 HE1 TYR A 124 1.252 -1.174 8.700 1.00 0.00 H new ATOM 0 HE2 TYR A 124 4.775 -3.382 9.568 1.00 0.00 H new ATOM 0 HH TYR A 124 2.814 -0.505 10.057 1.00 0.00 H new ATOM 1906 N ILE A 125 -0.642 -8.493 7.325 1.00 0.00 N ATOM 1907 CA ILE A 125 -1.364 -9.470 6.527 1.00 0.00 C ATOM 1908 C ILE A 125 -2.839 -9.071 6.453 1.00 0.00 C ATOM 1909 O ILE A 125 -3.411 -8.609 7.439 1.00 0.00 O ATOM 1910 CB ILE A 125 -1.135 -10.881 7.072 1.00 0.00 C ATOM 1911 CG1 ILE A 125 0.355 -11.230 7.082 1.00 0.00 C ATOM 1912 CG2 ILE A 125 -1.959 -11.909 6.294 1.00 0.00 C ATOM 1913 CD1 ILE A 125 0.880 -11.435 5.660 1.00 0.00 C ATOM 0 H ILE A 125 -0.539 -8.739 8.309 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.985 -9.483 5.505 1.00 0.00 H new ATOM 0 HB ILE A 125 -1.479 -10.908 8.106 1.00 0.00 H new ATOM 0 HG12 ILE A 125 0.916 -10.432 7.569 1.00 0.00 H new ATOM 0 HG13 ILE A 125 0.516 -12.136 7.667 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -1.778 -12.904 6.701 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -3.018 -11.668 6.382 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -1.668 -11.889 5.244 1.00 0.00 H new ATOM 0 HD11 ILE A 125 1.941 -11.682 5.696 1.00 0.00 H new ATOM 0 HD12 ILE A 125 0.334 -12.250 5.184 1.00 0.00 H new ATOM 0 HD13 ILE A 125 0.740 -10.520 5.085 1.00 0.00 H new ATOM 1925 N HIS A 126 -3.413 -9.264 5.274 1.00 0.00 N ATOM 1926 CA HIS A 126 -4.810 -8.930 5.059 1.00 0.00 C ATOM 1927 C HIS A 126 -5.655 -10.205 5.101 1.00 0.00 C ATOM 1928 O HIS A 126 -5.578 -11.035 4.196 1.00 0.00 O ATOM 1929 CB HIS A 126 -4.987 -8.144 3.758 1.00 0.00 C ATOM 1930 CG HIS A 126 -6.258 -7.332 3.699 1.00 0.00 C ATOM 1931 ND1 HIS A 126 -6.368 -6.070 4.258 1.00 0.00 N ATOM 1932 CD2 HIS A 126 -7.470 -7.613 3.141 1.00 0.00 C ATOM 1933 CE1 HIS A 126 -7.596 -5.622 4.041 1.00 0.00 C ATOM 1934 NE2 HIS A 126 -8.278 -6.580 3.349 1.00 0.00 N ATOM 0 H HIS A 126 -2.936 -9.647 4.458 1.00 0.00 H new ATOM 0 HA HIS A 126 -5.159 -8.278 5.860 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -4.135 -7.476 3.630 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -4.974 -8.841 2.920 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -7.729 -8.522 2.618 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -7.988 -4.666 4.356 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -9.248 -6.514 3.042 1.00 0.00 H new ATOM 1942 N SER A 127 -6.442 -10.320 6.160 1.00 0.00 N ATOM 1943 CA SER A 127 -7.300 -11.480 6.332 1.00 0.00 C ATOM 1944 C SER A 127 -8.769 -11.063 6.238 1.00 0.00 C ATOM 1945 O SER A 127 -9.078 -9.873 6.179 1.00 0.00 O ATOM 1946 CB SER A 127 -7.030 -12.172 7.669 1.00 0.00 C ATOM 1947 OG SER A 127 -7.238 -13.580 7.593 1.00 0.00 O ATOM 0 H SER A 127 -6.504 -9.629 6.908 1.00 0.00 H new ATOM 0 HA SER A 127 -7.078 -12.190 5.535 1.00 0.00 H new ATOM 0 HB2 SER A 127 -6.004 -11.973 7.979 1.00 0.00 H new ATOM 0 HB3 SER A 127 -7.682 -11.750 8.434 1.00 0.00 H new ATOM 0 HG SER A 127 -7.054 -13.985 8.466 1.00 0.00 H new