USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=22 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 44 CYS SG : rot 63:sc= 0.0395 USER MOD Set 1.2: A 118 MET CE :methyl -173:sc= -0.135 (180deg=-0.173) USER MOD Set 2.1: A 79 THR OG1 : rot -19:sc= 0.372 USER MOD Set 2.2: A 80 HIS : no HE2:sc= -5.62! C(o=-5.3!,f=-17!) USER MOD Set 3.1: A 47 TYR OH : rot -166:sc= 1.36 USER MOD Set 3.2: A 49 CYS SG : rot 180:sc= 0.516 USER MOD Set 4.1: A 22 THR OG1 : rot 120:sc= -1.63! USER MOD Set 4.2: A 25 ASN : amide:sc= -1.42! K(o=-3.1!,f=-1.3) USER MOD Single : A 28 ASN : amide:sc= -0.0257 K(o=-0.026,f=-1.2) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 1.11 K(o=1.1,f=-0.045) USER MOD Single : A 52 SER OG : rot 45:sc= 0.221 USER MOD Single : A 55 LYS NZ :NH3+ 166:sc= 0.0744 (180deg=0.0395) USER MOD Single : A 58 LYS NZ :NH3+ 171:sc= 0.0139 (180deg=0.00622) USER MOD Single : A 64 ASN : amide:sc= -0.0247 K(o=-0.025,f=-1.4!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.25 X(o=-0.25,f=-0.083) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 ASN : amide:sc= -7.89! C(o=-7.9!,f=-9.8!) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -0.315 K(o=-0.32,f=-2.3!) USER MOD Single : A 95 ASN : amide:sc= -0.0706 K(o=-0.071,f=-0.59) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot -127:sc= 0.674 USER MOD Single : A 99 HIS : no HD1:sc= -0.0265 X(o=-0.026,f=-0.026) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 107 LYS NZ :NH3+ -155:sc= -0.0258 (180deg=-0.284) USER MOD Single : A 112 CYS SG : rot -160:sc= -4.47! 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= -0.0332 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot -91:sc= -0.0758 USER MOD Single : A 126 HIS : no HE2:sc= -0.958 K(o=-0.96,f=-3.4!) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 258 N PRO A 21 1.101 9.282 6.219 1.00 0.00 N ATOM 259 CA PRO A 21 1.191 8.336 5.120 1.00 0.00 C ATOM 260 C PRO A 21 0.562 6.994 5.500 1.00 0.00 C ATOM 261 O PRO A 21 1.256 5.983 5.596 1.00 0.00 O ATOM 262 CB PRO A 21 2.676 8.230 4.813 1.00 0.00 C ATOM 263 CG PRO A 21 3.395 8.757 6.044 1.00 0.00 C ATOM 264 CD PRO A 21 2.375 9.483 6.905 1.00 0.00 C ATOM 0 HA PRO A 21 0.638 8.661 4.239 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.959 7.198 4.607 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.935 8.814 3.930 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.850 7.937 6.600 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.201 9.432 5.756 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.349 9.076 7.916 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.614 10.543 6.994 1.00 0.00 H new ATOM 272 N THR A 22 -0.747 7.027 5.707 1.00 0.00 N ATOM 273 CA THR A 22 -1.477 5.826 6.074 1.00 0.00 C ATOM 274 C THR A 22 -2.592 5.550 5.063 1.00 0.00 C ATOM 275 O THR A 22 -3.056 6.463 4.380 1.00 0.00 O ATOM 276 CB THR A 22 -1.985 6.001 7.506 1.00 0.00 C ATOM 277 OG1 THR A 22 -2.883 7.105 7.424 1.00 0.00 O ATOM 278 CG2 THR A 22 -0.890 6.482 8.461 1.00 0.00 C ATOM 0 H THR A 22 -1.320 7.867 5.627 1.00 0.00 H new ATOM 0 HA THR A 22 -0.832 4.947 6.048 1.00 0.00 H new ATOM 0 HB THR A 22 -2.390 5.055 7.865 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.778 6.820 7.704 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.303 6.590 9.464 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.078 5.755 8.479 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.507 7.444 8.121 1.00 0.00 H new ATOM 286 N LEU A 23 -2.991 4.289 5.000 1.00 0.00 N ATOM 287 CA LEU A 23 -4.043 3.881 4.084 1.00 0.00 C ATOM 288 C LEU A 23 -5.288 4.737 4.331 1.00 0.00 C ATOM 289 O LEU A 23 -5.914 5.215 3.387 1.00 0.00 O ATOM 290 CB LEU A 23 -4.299 2.377 4.197 1.00 0.00 C ATOM 291 CG LEU A 23 -4.494 1.629 2.876 1.00 0.00 C ATOM 292 CD1 LEU A 23 -3.555 0.425 2.784 1.00 0.00 C ATOM 293 CD2 LEU A 23 -5.958 1.230 2.684 1.00 0.00 C ATOM 0 H LEU A 23 -2.605 3.535 5.569 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.737 4.052 3.052 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.461 1.925 4.728 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.186 2.225 4.812 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.234 2.303 2.060 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.714 -0.089 1.836 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.521 0.765 2.844 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.760 -0.260 3.607 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.070 0.700 1.738 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.269 0.581 3.503 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.581 2.125 2.674 1.00 0.00 H new ATOM 305 N GLU A 24 -5.609 4.903 5.606 1.00 0.00 N ATOM 306 CA GLU A 24 -6.767 5.693 5.989 1.00 0.00 C ATOM 307 C GLU A 24 -6.681 7.092 5.377 1.00 0.00 C ATOM 308 O GLU A 24 -7.684 7.800 5.293 1.00 0.00 O ATOM 309 CB GLU A 24 -6.901 5.767 7.511 1.00 0.00 C ATOM 310 CG GLU A 24 -7.611 4.528 8.060 1.00 0.00 C ATOM 311 CD GLU A 24 -6.602 3.449 8.457 1.00 0.00 C ATOM 312 OE1 GLU A 24 -5.848 3.704 9.421 1.00 0.00 O ATOM 313 OE2 GLU A 24 -6.606 2.393 7.788 1.00 0.00 O ATOM 0 H GLU A 24 -5.088 4.504 6.387 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.661 5.203 5.602 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.913 5.854 7.963 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.458 6.662 7.787 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.214 4.803 8.925 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.294 4.133 7.308 1.00 0.00 H new ATOM 320 N ASN A 25 -5.474 7.450 4.964 1.00 0.00 N ATOM 321 CA ASN A 25 -5.244 8.753 4.363 1.00 0.00 C ATOM 322 C ASN A 25 -4.448 8.578 3.068 1.00 0.00 C ATOM 323 O ASN A 25 -3.736 9.488 2.645 1.00 0.00 O ATOM 324 CB ASN A 25 -4.437 9.656 5.296 1.00 0.00 C ATOM 325 CG ASN A 25 -4.983 9.598 6.724 1.00 0.00 C ATOM 326 OD1 ASN A 25 -6.157 9.817 6.977 1.00 0.00 O ATOM 327 ND2 ASN A 25 -4.070 9.291 7.641 1.00 0.00 N ATOM 0 H ASN A 25 -4.645 6.860 5.034 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.214 9.211 4.170 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.391 9.349 5.290 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.470 10.683 4.932 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -4.336 9.227 8.624 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -3.104 9.120 7.362 1.00 0.00 H new ATOM 334 N LEU A 26 -4.594 7.403 2.475 1.00 0.00 N ATOM 335 CA LEU A 26 -3.897 7.097 1.237 1.00 0.00 C ATOM 336 C LEU A 26 -4.232 8.163 0.192 1.00 0.00 C ATOM 337 O LEU A 26 -3.342 8.677 -0.484 1.00 0.00 O ATOM 338 CB LEU A 26 -4.212 5.670 0.783 1.00 0.00 C ATOM 339 CG LEU A 26 -3.030 4.863 0.240 1.00 0.00 C ATOM 340 CD1 LEU A 26 -3.415 3.397 0.038 1.00 0.00 C ATOM 341 CD2 LEU A 26 -2.478 5.493 -1.040 1.00 0.00 C ATOM 0 H LEU A 26 -5.185 6.651 2.829 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.818 7.127 1.390 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.640 5.128 1.626 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.980 5.717 0.011 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.230 4.887 0.980 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.558 2.846 -0.348 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.723 2.967 0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.239 3.332 -0.673 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.639 4.900 -1.405 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.260 5.520 -1.799 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.141 6.508 -0.830 1.00 0.00 H new ATOM 353 N GLU A 27 -5.519 8.464 0.091 1.00 0.00 N ATOM 354 CA GLU A 27 -5.982 9.459 -0.860 1.00 0.00 C ATOM 355 C GLU A 27 -5.307 10.806 -0.591 1.00 0.00 C ATOM 356 O GLU A 27 -4.980 11.538 -1.524 1.00 0.00 O ATOM 357 CB GLU A 27 -7.506 9.592 -0.817 1.00 0.00 C ATOM 358 CG GLU A 27 -8.181 8.238 -1.048 1.00 0.00 C ATOM 359 CD GLU A 27 -9.596 8.418 -1.600 1.00 0.00 C ATOM 360 OE1 GLU A 27 -10.259 9.382 -1.158 1.00 0.00 O ATOM 361 OE2 GLU A 27 -9.984 7.588 -2.450 1.00 0.00 O ATOM 0 H GLU A 27 -6.255 8.036 0.653 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.707 9.130 -1.862 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.812 9.995 0.148 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.834 10.301 -1.577 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.588 7.646 -1.745 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.220 7.683 -0.111 1.00 0.00 H new ATOM 368 N ASN A 28 -5.118 11.092 0.689 1.00 0.00 N ATOM 369 CA ASN A 28 -4.488 12.337 1.092 1.00 0.00 C ATOM 370 C ASN A 28 -3.112 12.037 1.690 1.00 0.00 C ATOM 371 O ASN A 28 -2.730 12.622 2.702 1.00 0.00 O ATOM 372 CB ASN A 28 -5.320 13.056 2.157 1.00 0.00 C ATOM 373 CG ASN A 28 -6.382 13.949 1.512 1.00 0.00 C ATOM 374 OD1 ASN A 28 -6.703 13.830 0.341 1.00 0.00 O ATOM 375 ND2 ASN A 28 -6.907 14.847 2.340 1.00 0.00 N ATOM 0 H ASN A 28 -5.390 10.483 1.460 1.00 0.00 H new ATOM 0 HA ASN A 28 -4.403 12.973 0.211 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -5.801 12.323 2.804 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -4.667 13.659 2.788 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -7.624 15.490 2.006 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -6.592 14.892 3.309 1.00 0.00 H new ATOM 382 N LEU A 29 -2.405 11.126 1.038 1.00 0.00 N ATOM 383 CA LEU A 29 -1.080 10.741 1.493 1.00 0.00 C ATOM 384 C LEU A 29 -0.028 11.372 0.578 1.00 0.00 C ATOM 385 O LEU A 29 -0.035 11.145 -0.631 1.00 0.00 O ATOM 386 CB LEU A 29 -0.970 9.219 1.597 1.00 0.00 C ATOM 387 CG LEU A 29 0.295 8.595 1.004 1.00 0.00 C ATOM 388 CD1 LEU A 29 0.241 8.593 -0.525 1.00 0.00 C ATOM 389 CD2 LEU A 29 1.550 9.294 1.531 1.00 0.00 C ATOM 0 H LEU A 29 -2.725 10.643 0.198 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.898 11.120 2.499 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.029 8.942 2.649 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.835 8.778 1.102 1.00 0.00 H new ATOM 0 HG LEU A 29 0.345 7.555 1.326 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.152 8.144 -0.921 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.622 8.016 -0.858 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.154 9.617 -0.887 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.435 8.831 1.094 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.520 10.349 1.259 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.590 9.200 2.616 1.00 0.00 H new ATOM 401 N ASP A 30 0.850 12.153 1.189 1.00 0.00 N ATOM 402 CA ASP A 30 1.906 12.818 0.445 1.00 0.00 C ATOM 403 C ASP A 30 2.967 11.792 0.045 1.00 0.00 C ATOM 404 O ASP A 30 3.923 11.562 0.784 1.00 0.00 O ATOM 405 CB ASP A 30 2.585 13.894 1.294 1.00 0.00 C ATOM 406 CG ASP A 30 3.832 14.522 0.668 1.00 0.00 C ATOM 407 OD1 ASP A 30 4.084 14.219 -0.519 1.00 0.00 O ATOM 408 OD2 ASP A 30 4.504 15.290 1.389 1.00 0.00 O ATOM 0 H ASP A 30 0.852 12.340 2.192 1.00 0.00 H new ATOM 0 HA ASP A 30 1.458 13.282 -0.434 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.862 14.684 1.498 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.860 13.458 2.254 1.00 0.00 H new ATOM 413 N VAL A 31 2.763 11.202 -1.124 1.00 0.00 N ATOM 414 CA VAL A 31 3.691 10.205 -1.632 1.00 0.00 C ATOM 415 C VAL A 31 5.063 10.850 -1.837 1.00 0.00 C ATOM 416 O VAL A 31 6.067 10.151 -1.968 1.00 0.00 O ATOM 417 CB VAL A 31 3.131 9.571 -2.907 1.00 0.00 C ATOM 418 CG1 VAL A 31 2.743 10.642 -3.927 1.00 0.00 C ATOM 419 CG2 VAL A 31 4.127 8.577 -3.507 1.00 0.00 C ATOM 0 H VAL A 31 1.969 11.395 -1.734 1.00 0.00 H new ATOM 0 HA VAL A 31 3.816 9.397 -0.912 1.00 0.00 H new ATOM 0 HB VAL A 31 2.229 9.021 -2.640 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.348 10.164 -4.824 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.982 11.294 -3.498 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.622 11.232 -4.187 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.705 8.140 -4.412 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.055 9.094 -3.752 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.332 7.787 -2.785 1.00 0.00 H new ATOM 429 N SER A 32 5.062 12.174 -1.860 1.00 0.00 N ATOM 430 CA SER A 32 6.294 12.921 -2.047 1.00 0.00 C ATOM 431 C SER A 32 6.999 13.113 -0.703 1.00 0.00 C ATOM 432 O SER A 32 8.138 13.575 -0.656 1.00 0.00 O ATOM 433 CB SER A 32 6.023 14.276 -2.703 1.00 0.00 C ATOM 434 OG SER A 32 6.583 14.358 -4.011 1.00 0.00 O ATOM 0 H SER A 32 4.227 12.750 -1.752 1.00 0.00 H new ATOM 0 HA SER A 32 6.942 12.350 -2.712 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.947 14.443 -2.758 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.437 15.069 -2.081 1.00 0.00 H new ATOM 0 HG SER A 32 6.387 15.237 -4.396 1.00 0.00 H new ATOM 440 N ALA A 33 6.292 12.749 0.357 1.00 0.00 N ATOM 441 CA ALA A 33 6.836 12.876 1.699 1.00 0.00 C ATOM 442 C ALA A 33 7.888 11.788 1.923 1.00 0.00 C ATOM 443 O ALA A 33 8.988 12.071 2.396 1.00 0.00 O ATOM 444 CB ALA A 33 5.699 12.806 2.720 1.00 0.00 C ATOM 0 H ALA A 33 5.348 12.366 0.314 1.00 0.00 H new ATOM 0 HA ALA A 33 7.327 13.841 1.824 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.107 12.901 3.726 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.994 13.617 2.536 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.184 11.850 2.626 1.00 0.00 H new ATOM 450 N PHE A 34 7.514 10.566 1.573 1.00 0.00 N ATOM 451 CA PHE A 34 8.411 9.435 1.730 1.00 0.00 C ATOM 452 C PHE A 34 9.810 9.768 1.207 1.00 0.00 C ATOM 453 O PHE A 34 9.978 10.084 0.030 1.00 0.00 O ATOM 454 CB PHE A 34 7.831 8.285 0.903 1.00 0.00 C ATOM 455 CG PHE A 34 6.437 7.840 1.349 1.00 0.00 C ATOM 456 CD1 PHE A 34 6.271 7.228 2.552 1.00 0.00 C ATOM 457 CD2 PHE A 34 5.364 8.055 0.542 1.00 0.00 C ATOM 458 CE1 PHE A 34 4.977 6.815 2.966 1.00 0.00 C ATOM 459 CE2 PHE A 34 4.070 7.642 0.956 1.00 0.00 C ATOM 460 CZ PHE A 34 3.904 7.030 2.159 1.00 0.00 C ATOM 0 H PHE A 34 6.601 10.335 1.181 1.00 0.00 H new ATOM 0 HA PHE A 34 8.499 9.174 2.785 1.00 0.00 H new ATOM 0 HB2 PHE A 34 7.787 8.589 -0.143 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.509 7.433 0.959 1.00 0.00 H new ATOM 0 HD1 PHE A 34 7.123 7.056 3.193 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.496 8.540 -0.414 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.845 6.330 3.922 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.218 7.814 0.315 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.920 6.715 2.473 1.00 0.00 H new ATOM 470 N GLN A 35 10.779 9.685 2.107 1.00 0.00 N ATOM 471 CA GLN A 35 12.158 9.973 1.752 1.00 0.00 C ATOM 472 C GLN A 35 12.876 8.690 1.329 1.00 0.00 C ATOM 473 O GLN A 35 14.060 8.719 0.994 1.00 0.00 O ATOM 474 CB GLN A 35 12.891 10.656 2.909 1.00 0.00 C ATOM 475 CG GLN A 35 12.030 11.760 3.528 1.00 0.00 C ATOM 476 CD GLN A 35 12.310 13.110 2.864 1.00 0.00 C ATOM 477 OE1 GLN A 35 13.401 13.650 2.933 1.00 0.00 O ATOM 478 NE2 GLN A 35 11.266 13.622 2.219 1.00 0.00 N ATOM 0 H GLN A 35 10.636 9.422 3.082 1.00 0.00 H new ATOM 0 HA GLN A 35 12.159 10.662 0.907 1.00 0.00 H new ATOM 0 HB2 GLN A 35 13.145 9.918 3.670 1.00 0.00 H new ATOM 0 HB3 GLN A 35 13.829 11.079 2.550 1.00 0.00 H new ATOM 0 HG2 GLN A 35 10.975 11.508 3.418 1.00 0.00 H new ATOM 0 HG3 GLN A 35 12.232 11.827 4.597 1.00 0.00 H new ATOM 0 HE21 GLN A 35 10.380 13.117 2.201 1.00 0.00 H new ATOM 0 HE22 GLN A 35 11.351 14.520 1.743 1.00 0.00 H new ATOM 487 N ALA A 36 12.131 7.596 1.356 1.00 0.00 N ATOM 488 CA ALA A 36 12.682 6.305 0.979 1.00 0.00 C ATOM 489 C ALA A 36 13.495 6.459 -0.307 1.00 0.00 C ATOM 490 O ALA A 36 13.439 7.500 -0.961 1.00 0.00 O ATOM 491 CB ALA A 36 11.548 5.288 0.835 1.00 0.00 C ATOM 0 H ALA A 36 11.150 7.576 1.633 1.00 0.00 H new ATOM 0 HA ALA A 36 13.355 5.934 1.752 1.00 0.00 H new ATOM 0 HB1 ALA A 36 11.961 4.320 0.552 1.00 0.00 H new ATOM 0 HB2 ALA A 36 11.021 5.194 1.784 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.853 5.624 0.066 1.00 0.00 H new ATOM 497 N PRO A 37 14.251 5.379 -0.642 1.00 0.00 N ATOM 498 CA PRO A 37 15.075 5.384 -1.839 1.00 0.00 C ATOM 499 C PRO A 37 14.217 5.216 -3.095 1.00 0.00 C ATOM 500 O PRO A 37 13.066 4.792 -3.013 1.00 0.00 O ATOM 501 CB PRO A 37 16.065 4.248 -1.640 1.00 0.00 C ATOM 502 CG PRO A 37 15.468 3.359 -0.562 1.00 0.00 C ATOM 503 CD PRO A 37 14.341 4.129 0.108 1.00 0.00 C ATOM 0 HA PRO A 37 15.598 6.329 -1.986 1.00 0.00 H new ATOM 0 HB2 PRO A 37 16.214 3.693 -2.566 1.00 0.00 H new ATOM 0 HB3 PRO A 37 17.040 4.629 -1.337 1.00 0.00 H new ATOM 0 HG2 PRO A 37 15.092 2.433 -0.996 1.00 0.00 H new ATOM 0 HG3 PRO A 37 16.228 3.082 0.169 1.00 0.00 H new ATOM 0 HD2 PRO A 37 13.404 3.574 0.068 1.00 0.00 H new ATOM 0 HD3 PRO A 37 14.558 4.313 1.160 1.00 0.00 H new ATOM 511 N GLU A 38 14.812 5.558 -4.229 1.00 0.00 N ATOM 512 CA GLU A 38 14.117 5.451 -5.500 1.00 0.00 C ATOM 513 C GLU A 38 14.099 3.996 -5.974 1.00 0.00 C ATOM 514 O GLU A 38 13.544 3.690 -7.028 1.00 0.00 O ATOM 515 CB GLU A 38 14.753 6.362 -6.552 1.00 0.00 C ATOM 516 CG GLU A 38 14.171 7.775 -6.477 1.00 0.00 C ATOM 517 CD GLU A 38 13.329 8.087 -7.716 1.00 0.00 C ATOM 518 OE1 GLU A 38 12.492 7.226 -8.064 1.00 0.00 O ATOM 519 OE2 GLU A 38 13.541 9.179 -8.286 1.00 0.00 O ATOM 0 H GLU A 38 15.767 5.909 -4.293 1.00 0.00 H new ATOM 0 HA GLU A 38 13.088 5.780 -5.357 1.00 0.00 H new ATOM 0 HB2 GLU A 38 15.832 6.401 -6.401 1.00 0.00 H new ATOM 0 HB3 GLU A 38 14.585 5.948 -7.546 1.00 0.00 H new ATOM 0 HG2 GLU A 38 13.557 7.872 -5.582 1.00 0.00 H new ATOM 0 HG3 GLU A 38 14.979 8.501 -6.390 1.00 0.00 H new ATOM 526 N ASP A 39 14.713 3.138 -5.173 1.00 0.00 N ATOM 527 CA ASP A 39 14.775 1.724 -5.497 1.00 0.00 C ATOM 528 C ASP A 39 14.298 0.908 -4.294 1.00 0.00 C ATOM 529 O ASP A 39 14.655 -0.261 -4.150 1.00 0.00 O ATOM 530 CB ASP A 39 16.207 1.295 -5.821 1.00 0.00 C ATOM 531 CG ASP A 39 17.112 2.409 -6.352 1.00 0.00 C ATOM 532 OD1 ASP A 39 16.903 2.800 -7.520 1.00 0.00 O ATOM 533 OD2 ASP A 39 17.991 2.843 -5.577 1.00 0.00 O ATOM 0 H ASP A 39 15.172 3.396 -4.299 1.00 0.00 H new ATOM 0 HA ASP A 39 14.141 1.550 -6.366 1.00 0.00 H new ATOM 0 HB2 ASP A 39 16.658 0.879 -4.920 1.00 0.00 H new ATOM 0 HB3 ASP A 39 16.172 0.493 -6.559 1.00 0.00 H new ATOM 538 N LEU A 40 13.498 1.555 -3.460 1.00 0.00 N ATOM 539 CA LEU A 40 12.968 0.905 -2.274 1.00 0.00 C ATOM 540 C LEU A 40 12.569 -0.531 -2.620 1.00 0.00 C ATOM 541 O LEU A 40 13.156 -1.483 -2.108 1.00 0.00 O ATOM 542 CB LEU A 40 11.829 1.731 -1.673 1.00 0.00 C ATOM 543 CG LEU A 40 11.225 1.195 -0.373 1.00 0.00 C ATOM 544 CD1 LEU A 40 12.308 0.980 0.687 1.00 0.00 C ATOM 545 CD2 LEU A 40 10.106 2.109 0.129 1.00 0.00 C ATOM 0 H LEU A 40 13.204 2.524 -3.582 1.00 0.00 H new ATOM 0 HA LEU A 40 13.732 0.847 -1.499 1.00 0.00 H new ATOM 0 HB2 LEU A 40 12.196 2.741 -1.490 1.00 0.00 H new ATOM 0 HB3 LEU A 40 11.034 1.810 -2.414 1.00 0.00 H new ATOM 0 HG LEU A 40 10.778 0.222 -0.579 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.852 0.599 1.601 1.00 0.00 H new ATOM 0 HD12 LEU A 40 13.040 0.261 0.319 1.00 0.00 H new ATOM 0 HD13 LEU A 40 12.805 1.927 0.897 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.694 1.705 1.054 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.506 3.106 0.315 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.319 2.168 -0.623 1.00 0.00 H new ATOM 557 N LEU A 41 11.574 -0.642 -3.488 1.00 0.00 N ATOM 558 CA LEU A 41 11.090 -1.946 -3.909 1.00 0.00 C ATOM 559 C LEU A 41 11.871 -2.401 -5.143 1.00 0.00 C ATOM 560 O LEU A 41 11.280 -2.720 -6.173 1.00 0.00 O ATOM 561 CB LEU A 41 9.575 -1.913 -4.118 1.00 0.00 C ATOM 562 CG LEU A 41 8.783 -1.031 -3.150 1.00 0.00 C ATOM 563 CD1 LEU A 41 7.645 -0.308 -3.873 1.00 0.00 C ATOM 564 CD2 LEU A 41 8.278 -1.844 -1.956 1.00 0.00 C ATOM 0 H LEU A 41 11.090 0.150 -3.911 1.00 0.00 H new ATOM 0 HA LEU A 41 11.265 -2.687 -3.129 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.376 -1.573 -5.134 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.196 -2.932 -4.043 1.00 0.00 H new ATOM 0 HG LEU A 41 9.453 -0.266 -2.759 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.098 0.312 -3.162 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.057 0.322 -4.662 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.968 -1.042 -4.311 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.719 -1.194 -1.284 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.629 -2.645 -2.310 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.126 -2.273 -1.423 1.00 0.00 H new ATOM 576 N ASP A 42 13.188 -2.417 -4.997 1.00 0.00 N ATOM 577 CA ASP A 42 14.057 -2.828 -6.087 1.00 0.00 C ATOM 578 C ASP A 42 13.963 -4.345 -6.264 1.00 0.00 C ATOM 579 O ASP A 42 14.269 -5.101 -5.344 1.00 0.00 O ATOM 580 CB ASP A 42 15.516 -2.476 -5.792 1.00 0.00 C ATOM 581 CG ASP A 42 16.547 -3.245 -6.620 1.00 0.00 C ATOM 582 OD1 ASP A 42 16.790 -2.813 -7.767 1.00 0.00 O ATOM 583 OD2 ASP A 42 17.070 -4.247 -6.086 1.00 0.00 O ATOM 0 H ASP A 42 13.674 -2.152 -4.140 1.00 0.00 H new ATOM 0 HA ASP A 42 13.736 -2.306 -6.989 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.658 -1.409 -5.963 1.00 0.00 H new ATOM 0 HB3 ASP A 42 15.712 -2.659 -4.735 1.00 0.00 H new ATOM 588 N GLY A 43 13.539 -4.744 -7.454 1.00 0.00 N ATOM 589 CA GLY A 43 13.401 -6.157 -7.764 1.00 0.00 C ATOM 590 C GLY A 43 12.239 -6.778 -6.986 1.00 0.00 C ATOM 591 O GLY A 43 12.291 -7.950 -6.615 1.00 0.00 O ATOM 0 H GLY A 43 13.286 -4.114 -8.215 1.00 0.00 H new ATOM 0 HA2 GLY A 43 13.236 -6.284 -8.834 1.00 0.00 H new ATOM 0 HA3 GLY A 43 14.327 -6.679 -7.520 1.00 0.00 H new ATOM 595 N CYS A 44 11.217 -5.965 -6.762 1.00 0.00 N ATOM 596 CA CYS A 44 10.044 -6.420 -6.035 1.00 0.00 C ATOM 597 C CYS A 44 8.803 -6.070 -6.859 1.00 0.00 C ATOM 598 O CYS A 44 8.398 -4.910 -6.916 1.00 0.00 O ATOM 599 CB CYS A 44 9.982 -5.820 -4.629 1.00 0.00 C ATOM 600 SG CYS A 44 11.419 -6.384 -3.645 1.00 0.00 S ATOM 0 H CYS A 44 11.177 -4.994 -7.071 1.00 0.00 H new ATOM 0 HA CYS A 44 10.095 -7.500 -5.896 1.00 0.00 H new ATOM 0 HB2 CYS A 44 9.976 -4.732 -4.689 1.00 0.00 H new ATOM 0 HB3 CYS A 44 9.055 -6.117 -4.138 1.00 0.00 H new ATOM 0 HG CYS A 44 12.515 -5.942 -4.185 1.00 0.00 H new ATOM 606 N ARG A 45 8.234 -7.095 -7.477 1.00 0.00 N ATOM 607 CA ARG A 45 7.047 -6.910 -8.295 1.00 0.00 C ATOM 608 C ARG A 45 5.786 -7.061 -7.442 1.00 0.00 C ATOM 609 O ARG A 45 5.450 -8.164 -7.014 1.00 0.00 O ATOM 610 CB ARG A 45 7.005 -7.925 -9.440 1.00 0.00 C ATOM 611 CG ARG A 45 7.884 -7.472 -10.607 1.00 0.00 C ATOM 612 CD ARG A 45 8.021 -8.580 -11.653 1.00 0.00 C ATOM 613 NE ARG A 45 9.170 -9.451 -11.320 1.00 0.00 N ATOM 614 CZ ARG A 45 9.808 -10.226 -12.208 1.00 0.00 C ATOM 615 NH1 ARG A 45 9.412 -10.243 -13.488 1.00 0.00 N ATOM 616 NH2 ARG A 45 10.840 -10.984 -11.816 1.00 0.00 N ATOM 0 H ARG A 45 8.573 -8.056 -7.428 1.00 0.00 H new ATOM 0 HA ARG A 45 7.087 -5.905 -8.716 1.00 0.00 H new ATOM 0 HB2 ARG A 45 7.343 -8.897 -9.081 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.978 -8.051 -9.782 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.453 -6.583 -11.068 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.870 -7.193 -10.237 1.00 0.00 H new ATOM 0 HD2 ARG A 45 7.106 -9.170 -11.691 1.00 0.00 H new ATOM 0 HD3 ARG A 45 8.160 -8.143 -12.642 1.00 0.00 H new ATOM 0 HE ARG A 45 9.497 -9.462 -10.354 1.00 0.00 H new ATOM 0 HH11 ARG A 45 8.625 -9.666 -13.786 1.00 0.00 H new ATOM 0 HH12 ARG A 45 9.897 -10.833 -14.164 1.00 0.00 H new ATOM 0 HH21 ARG A 45 11.141 -10.972 -10.841 1.00 0.00 H new ATOM 0 HH22 ARG A 45 11.325 -11.574 -12.492 1.00 0.00 H new ATOM 630 N ILE A 46 5.122 -5.936 -7.220 1.00 0.00 N ATOM 631 CA ILE A 46 3.906 -5.929 -6.426 1.00 0.00 C ATOM 632 C ILE A 46 2.693 -5.908 -7.359 1.00 0.00 C ATOM 633 O ILE A 46 2.812 -5.549 -8.530 1.00 0.00 O ATOM 634 CB ILE A 46 3.928 -4.775 -5.421 1.00 0.00 C ATOM 635 CG1 ILE A 46 5.300 -4.656 -4.755 1.00 0.00 C ATOM 636 CG2 ILE A 46 2.803 -4.920 -4.395 1.00 0.00 C ATOM 637 CD1 ILE A 46 6.066 -3.444 -5.289 1.00 0.00 C ATOM 0 H ILE A 46 5.404 -5.023 -7.577 1.00 0.00 H new ATOM 0 HA ILE A 46 3.836 -6.839 -5.830 1.00 0.00 H new ATOM 0 HB ILE A 46 3.751 -3.846 -5.963 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.178 -4.566 -3.676 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.876 -5.563 -4.936 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.841 -4.087 -3.693 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.841 -4.919 -4.907 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.924 -5.858 -3.853 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.038 -3.383 -4.799 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.208 -3.548 -6.365 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.499 -2.536 -5.084 1.00 0.00 H new ATOM 649 N TYR A 47 1.554 -6.296 -6.806 1.00 0.00 N ATOM 650 CA TYR A 47 0.321 -6.326 -7.574 1.00 0.00 C ATOM 651 C TYR A 47 -0.809 -5.616 -6.825 1.00 0.00 C ATOM 652 O TYR A 47 -1.128 -5.973 -5.692 1.00 0.00 O ATOM 653 CB TYR A 47 -0.040 -7.804 -7.734 1.00 0.00 C ATOM 654 CG TYR A 47 -1.483 -8.048 -8.180 1.00 0.00 C ATOM 655 CD1 TYR A 47 -1.837 -7.866 -9.502 1.00 0.00 C ATOM 656 CD2 TYR A 47 -2.431 -8.449 -7.261 1.00 0.00 C ATOM 657 CE1 TYR A 47 -3.195 -8.095 -9.922 1.00 0.00 C ATOM 658 CE2 TYR A 47 -3.790 -8.678 -7.681 1.00 0.00 C ATOM 659 CZ TYR A 47 -4.104 -8.490 -8.991 1.00 0.00 C ATOM 660 OH TYR A 47 -5.387 -8.706 -9.388 1.00 0.00 O ATOM 0 H TYR A 47 1.459 -6.592 -5.835 1.00 0.00 H new ATOM 0 HA TYR A 47 0.453 -5.821 -8.531 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.635 -8.256 -8.461 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.127 -8.313 -6.785 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.095 -7.552 -10.221 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.154 -8.591 -6.227 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.485 -7.956 -10.953 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -4.542 -8.992 -6.972 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.967 -8.770 -8.600 1.00 0.00 H new ATOM 670 N LEU A 48 -1.383 -4.624 -7.488 1.00 0.00 N ATOM 671 CA LEU A 48 -2.471 -3.860 -6.900 1.00 0.00 C ATOM 672 C LEU A 48 -3.793 -4.588 -7.150 1.00 0.00 C ATOM 673 O LEU A 48 -4.065 -5.021 -8.269 1.00 0.00 O ATOM 674 CB LEU A 48 -2.454 -2.420 -7.415 1.00 0.00 C ATOM 675 CG LEU A 48 -1.237 -1.581 -7.023 1.00 0.00 C ATOM 676 CD1 LEU A 48 -1.303 -0.189 -7.655 1.00 0.00 C ATOM 677 CD2 LEU A 48 -1.084 -1.513 -5.502 1.00 0.00 C ATOM 0 H LEU A 48 -1.115 -4.331 -8.428 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.346 -3.788 -5.820 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.519 -2.444 -8.503 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.350 -1.915 -7.053 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.345 -2.070 -7.415 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.426 0.387 -7.360 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.327 -0.283 -8.741 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.204 0.323 -7.315 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.211 -0.910 -5.251 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.975 -1.060 -5.067 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.957 -2.520 -5.104 1.00 0.00 H new ATOM 689 N CYS A 49 -4.580 -4.701 -6.090 1.00 0.00 N ATOM 690 CA CYS A 49 -5.867 -5.369 -6.181 1.00 0.00 C ATOM 691 C CYS A 49 -6.829 -4.692 -5.203 1.00 0.00 C ATOM 692 O CYS A 49 -6.678 -4.821 -3.989 1.00 0.00 O ATOM 693 CB CYS A 49 -5.745 -6.871 -5.915 1.00 0.00 C ATOM 694 SG CYS A 49 -6.925 -7.791 -6.968 1.00 0.00 S ATOM 0 H CYS A 49 -4.351 -4.341 -5.164 1.00 0.00 H new ATOM 0 HA CYS A 49 -6.257 -5.277 -7.195 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -4.727 -7.203 -6.119 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -5.944 -7.080 -4.864 1.00 0.00 H new ATOM 0 HG CYS A 49 -6.812 -9.065 -6.736 1.00 0.00 H new ATOM 700 N GLY A 50 -7.798 -3.987 -5.768 1.00 0.00 N ATOM 701 CA GLY A 50 -8.785 -3.289 -4.961 1.00 0.00 C ATOM 702 C GLY A 50 -8.792 -1.792 -5.277 1.00 0.00 C ATOM 703 O GLY A 50 -9.754 -1.280 -5.848 1.00 0.00 O ATOM 0 H GLY A 50 -7.921 -3.884 -6.775 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -9.774 -3.708 -5.147 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.568 -3.440 -3.904 1.00 0.00 H new ATOM 707 N PHE A 51 -7.710 -1.133 -4.891 1.00 0.00 N ATOM 708 CA PHE A 51 -7.580 0.295 -5.126 1.00 0.00 C ATOM 709 C PHE A 51 -8.186 0.686 -6.475 1.00 0.00 C ATOM 710 O PHE A 51 -7.944 0.024 -7.483 1.00 0.00 O ATOM 711 CB PHE A 51 -6.083 0.611 -5.141 1.00 0.00 C ATOM 712 CG PHE A 51 -5.323 0.082 -3.924 1.00 0.00 C ATOM 713 CD1 PHE A 51 -5.670 0.490 -2.674 1.00 0.00 C ATOM 714 CD2 PHE A 51 -4.299 -0.798 -4.092 1.00 0.00 C ATOM 715 CE1 PHE A 51 -4.964 -0.002 -1.545 1.00 0.00 C ATOM 716 CE2 PHE A 51 -3.593 -1.289 -2.962 1.00 0.00 C ATOM 717 CZ PHE A 51 -3.940 -0.881 -1.712 1.00 0.00 C ATOM 0 H PHE A 51 -6.915 -1.561 -4.417 1.00 0.00 H new ATOM 0 HA PHE A 51 -8.105 0.850 -4.348 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.642 0.188 -6.044 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.951 1.691 -5.198 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.483 1.188 -2.540 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -4.023 -1.123 -5.084 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -5.240 0.322 -0.553 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -2.780 -1.987 -3.095 1.00 0.00 H new ATOM 0 HZ PHE A 51 -3.403 -1.255 -0.853 1.00 0.00 H new ATOM 727 N SER A 52 -8.961 1.760 -6.450 1.00 0.00 N ATOM 728 CA SER A 52 -9.604 2.248 -7.659 1.00 0.00 C ATOM 729 C SER A 52 -10.070 3.691 -7.458 1.00 0.00 C ATOM 730 O SER A 52 -11.228 3.931 -7.120 1.00 0.00 O ATOM 731 CB SER A 52 -10.784 1.358 -8.053 1.00 0.00 C ATOM 732 OG SER A 52 -10.438 0.435 -9.082 1.00 0.00 O ATOM 0 H SER A 52 -9.159 2.306 -5.612 1.00 0.00 H new ATOM 0 HA SER A 52 -8.876 2.218 -8.470 1.00 0.00 H new ATOM 0 HB2 SER A 52 -11.133 0.810 -7.177 1.00 0.00 H new ATOM 0 HB3 SER A 52 -11.612 1.982 -8.389 1.00 0.00 H new ATOM 0 HG SER A 52 -9.570 0.028 -8.878 1.00 0.00 H new ATOM 738 N GLY A 53 -9.145 4.614 -7.676 1.00 0.00 N ATOM 739 CA GLY A 53 -9.447 6.027 -7.523 1.00 0.00 C ATOM 740 C GLY A 53 -8.196 6.816 -7.132 1.00 0.00 C ATOM 741 O GLY A 53 -7.369 7.138 -7.984 1.00 0.00 O ATOM 0 H GLY A 53 -8.186 4.411 -7.957 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.852 6.419 -8.456 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -10.216 6.158 -6.762 1.00 0.00 H new ATOM 745 N ARG A 54 -8.097 7.105 -5.843 1.00 0.00 N ATOM 746 CA ARG A 54 -6.960 7.851 -5.329 1.00 0.00 C ATOM 747 C ARG A 54 -5.912 6.893 -4.758 1.00 0.00 C ATOM 748 O ARG A 54 -4.760 6.901 -5.189 1.00 0.00 O ATOM 749 CB ARG A 54 -7.393 8.831 -4.237 1.00 0.00 C ATOM 750 CG ARG A 54 -8.009 10.093 -4.846 1.00 0.00 C ATOM 751 CD ARG A 54 -8.212 11.172 -3.781 1.00 0.00 C ATOM 752 NE ARG A 54 -8.588 12.452 -4.422 1.00 0.00 N ATOM 753 CZ ARG A 54 -9.203 13.459 -3.787 1.00 0.00 C ATOM 754 NH1 ARG A 54 -9.516 13.341 -2.490 1.00 0.00 N ATOM 755 NH2 ARG A 54 -9.506 14.583 -4.450 1.00 0.00 N ATOM 0 H ARG A 54 -8.785 6.836 -5.139 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.530 8.414 -6.157 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -8.116 8.351 -3.578 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.533 9.101 -3.624 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -7.361 10.474 -5.636 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -8.965 9.849 -5.308 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -8.990 10.863 -3.083 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -7.297 11.300 -3.203 1.00 0.00 H new ATOM 0 HE ARG A 54 -8.365 12.575 -5.410 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -9.286 12.485 -1.986 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -9.984 14.108 -2.007 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -9.269 14.672 -5.438 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -9.974 15.350 -3.967 1.00 0.00 H new ATOM 769 N LYS A 55 -6.349 6.092 -3.798 1.00 0.00 N ATOM 770 CA LYS A 55 -5.463 5.131 -3.164 1.00 0.00 C ATOM 771 C LYS A 55 -4.586 4.472 -4.231 1.00 0.00 C ATOM 772 O LYS A 55 -3.414 4.186 -3.987 1.00 0.00 O ATOM 773 CB LYS A 55 -6.265 4.134 -2.326 1.00 0.00 C ATOM 774 CG LYS A 55 -7.203 4.860 -1.359 1.00 0.00 C ATOM 775 CD LYS A 55 -7.608 3.948 -0.199 1.00 0.00 C ATOM 776 CE LYS A 55 -7.250 4.580 1.147 1.00 0.00 C ATOM 777 NZ LYS A 55 -8.404 4.522 2.071 1.00 0.00 N ATOM 0 H LYS A 55 -7.305 6.089 -3.444 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.794 5.633 -2.465 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.845 3.485 -2.983 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.584 3.494 -1.766 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.711 5.752 -0.970 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.093 5.194 -1.892 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.680 3.755 -0.241 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.107 2.985 -0.297 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.399 4.058 1.585 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.947 5.617 0.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.085 4.731 3.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.116 5.223 1.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.824 3.571 2.043 1.00 0.00 H new ATOM 791 N LEU A 56 -5.186 4.249 -5.391 1.00 0.00 N ATOM 792 CA LEU A 56 -4.474 3.629 -6.495 1.00 0.00 C ATOM 793 C LEU A 56 -3.448 4.617 -7.053 1.00 0.00 C ATOM 794 O LEU A 56 -2.244 4.430 -6.883 1.00 0.00 O ATOM 795 CB LEU A 56 -5.460 3.109 -7.543 1.00 0.00 C ATOM 796 CG LEU A 56 -4.841 2.494 -8.800 1.00 0.00 C ATOM 797 CD1 LEU A 56 -3.793 1.440 -8.435 1.00 0.00 C ATOM 798 CD2 LEU A 56 -5.922 1.931 -9.725 1.00 0.00 C ATOM 0 H LEU A 56 -6.158 4.487 -5.590 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.921 2.755 -6.150 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.098 2.361 -7.073 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.106 3.933 -7.846 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.327 3.283 -9.349 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.368 1.018 -9.346 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.001 1.903 -7.846 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.262 0.647 -7.853 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.455 1.500 -10.611 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.485 1.159 -9.200 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.598 2.732 -10.025 1.00 0.00 H new ATOM 810 N ASP A 57 -3.962 5.648 -7.709 1.00 0.00 N ATOM 811 CA ASP A 57 -3.105 6.665 -8.293 1.00 0.00 C ATOM 812 C ASP A 57 -1.927 6.935 -7.354 1.00 0.00 C ATOM 813 O ASP A 57 -0.815 7.199 -7.807 1.00 0.00 O ATOM 814 CB ASP A 57 -3.864 7.979 -8.489 1.00 0.00 C ATOM 815 CG ASP A 57 -3.926 8.481 -9.933 1.00 0.00 C ATOM 816 OD1 ASP A 57 -4.255 7.652 -10.809 1.00 0.00 O ATOM 817 OD2 ASP A 57 -3.642 9.682 -10.129 1.00 0.00 O ATOM 0 H ASP A 57 -4.961 5.800 -7.849 1.00 0.00 H new ATOM 0 HA ASP A 57 -2.760 6.300 -9.260 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.882 7.852 -8.121 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.396 8.747 -7.873 1.00 0.00 H new ATOM 822 N LYS A 58 -2.213 6.860 -6.062 1.00 0.00 N ATOM 823 CA LYS A 58 -1.192 7.093 -5.055 1.00 0.00 C ATOM 824 C LYS A 58 -0.112 6.015 -5.171 1.00 0.00 C ATOM 825 O LYS A 58 1.038 6.315 -5.487 1.00 0.00 O ATOM 826 CB LYS A 58 -1.823 7.185 -3.664 1.00 0.00 C ATOM 827 CG LYS A 58 -2.668 8.453 -3.528 1.00 0.00 C ATOM 828 CD LYS A 58 -1.783 9.701 -3.484 1.00 0.00 C ATOM 829 CE LYS A 58 -2.596 10.936 -3.094 1.00 0.00 C ATOM 830 NZ LYS A 58 -1.772 12.160 -3.219 1.00 0.00 N ATOM 0 H LYS A 58 -3.137 6.641 -5.690 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.704 8.053 -5.222 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.445 6.308 -3.484 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.041 7.182 -2.905 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.361 8.524 -4.366 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.270 8.398 -2.621 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.974 9.553 -2.768 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.321 9.858 -4.459 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.476 11.016 -3.732 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.954 10.834 -2.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.376 12.998 -3.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.034 12.158 -2.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.327 12.185 -4.159 1.00 0.00 H new ATOM 844 N LEU A 59 -0.521 4.783 -4.908 1.00 0.00 N ATOM 845 CA LEU A 59 0.396 3.659 -4.979 1.00 0.00 C ATOM 846 C LEU A 59 1.220 3.758 -6.264 1.00 0.00 C ATOM 847 O LEU A 59 2.416 3.471 -6.263 1.00 0.00 O ATOM 848 CB LEU A 59 -0.362 2.338 -4.835 1.00 0.00 C ATOM 849 CG LEU A 59 -0.746 1.936 -3.409 1.00 0.00 C ATOM 850 CD1 LEU A 59 -1.389 0.548 -3.385 1.00 0.00 C ATOM 851 CD2 LEU A 59 0.460 2.026 -2.471 1.00 0.00 C ATOM 0 H LEU A 59 -1.476 4.538 -4.645 1.00 0.00 H new ATOM 0 HA LEU A 59 1.099 3.689 -4.146 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.272 2.397 -5.432 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.249 1.543 -5.263 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.492 2.642 -3.044 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -1.652 0.287 -2.360 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.288 0.553 -4.001 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.685 -0.186 -3.777 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.160 1.735 -1.464 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.246 1.357 -2.823 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.834 3.050 -2.457 1.00 0.00 H new ATOM 863 N ARG A 60 0.547 4.166 -7.330 1.00 0.00 N ATOM 864 CA ARG A 60 1.202 4.307 -8.620 1.00 0.00 C ATOM 865 C ARG A 60 2.452 5.180 -8.488 1.00 0.00 C ATOM 866 O ARG A 60 3.449 4.949 -9.169 1.00 0.00 O ATOM 867 CB ARG A 60 0.259 4.931 -9.651 1.00 0.00 C ATOM 868 CG ARG A 60 -1.073 4.180 -9.700 1.00 0.00 C ATOM 869 CD ARG A 60 -1.701 4.267 -11.093 1.00 0.00 C ATOM 870 NE ARG A 60 -0.701 3.903 -12.122 1.00 0.00 N ATOM 871 CZ ARG A 60 -0.867 4.107 -13.435 1.00 0.00 C ATOM 872 NH1 ARG A 60 -1.993 4.674 -13.889 1.00 0.00 N ATOM 873 NH2 ARG A 60 0.094 3.745 -14.296 1.00 0.00 N ATOM 0 H ARG A 60 -0.445 4.403 -7.327 1.00 0.00 H new ATOM 0 HA ARG A 60 1.485 3.310 -8.959 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.082 5.977 -9.401 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.727 4.913 -10.635 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.915 3.135 -9.433 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.758 4.598 -8.962 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -2.560 3.599 -11.156 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.069 5.277 -11.273 1.00 0.00 H new ATOM 0 HE ARG A 60 0.169 3.470 -11.812 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -2.725 4.951 -13.234 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -2.119 4.829 -14.889 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.952 3.314 -13.951 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.032 3.900 -15.296 1.00 0.00 H new ATOM 887 N ARG A 61 2.356 6.164 -7.606 1.00 0.00 N ATOM 888 CA ARG A 61 3.467 7.073 -7.377 1.00 0.00 C ATOM 889 C ARG A 61 4.429 6.485 -6.342 1.00 0.00 C ATOM 890 O ARG A 61 5.642 6.653 -6.452 1.00 0.00 O ATOM 891 CB ARG A 61 2.972 8.435 -6.886 1.00 0.00 C ATOM 892 CG ARG A 61 2.099 9.114 -7.943 1.00 0.00 C ATOM 893 CD ARG A 61 1.783 10.558 -7.547 1.00 0.00 C ATOM 894 NE ARG A 61 1.153 11.268 -8.683 1.00 0.00 N ATOM 895 CZ ARG A 61 -0.111 11.073 -9.082 1.00 0.00 C ATOM 896 NH1 ARG A 61 -0.888 10.190 -8.441 1.00 0.00 N ATOM 897 NH2 ARG A 61 -0.598 11.762 -10.123 1.00 0.00 N ATOM 0 H ARG A 61 1.527 6.352 -7.042 1.00 0.00 H new ATOM 0 HA ARG A 61 3.986 7.208 -8.326 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.403 8.309 -5.965 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.824 9.072 -6.649 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.610 9.101 -8.906 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.171 8.556 -8.067 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.116 10.570 -6.685 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.698 11.071 -7.249 1.00 0.00 H new ATOM 0 HE ARG A 61 1.716 11.948 -9.194 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.517 9.666 -7.649 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -1.850 10.042 -8.745 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.006 12.434 -10.611 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.560 11.614 -10.427 1.00 0.00 H new ATOM 911 N LEU A 62 3.850 5.807 -5.362 1.00 0.00 N ATOM 912 CA LEU A 62 4.641 5.192 -4.309 1.00 0.00 C ATOM 913 C LEU A 62 5.454 4.037 -4.896 1.00 0.00 C ATOM 914 O LEU A 62 6.681 4.106 -4.960 1.00 0.00 O ATOM 915 CB LEU A 62 3.747 4.782 -3.137 1.00 0.00 C ATOM 916 CG LEU A 62 3.582 5.819 -2.024 1.00 0.00 C ATOM 917 CD1 LEU A 62 2.198 6.468 -2.080 1.00 0.00 C ATOM 918 CD2 LEU A 62 3.871 5.202 -0.654 1.00 0.00 C ATOM 0 H LEU A 62 2.843 5.670 -5.275 1.00 0.00 H new ATOM 0 HA LEU A 62 5.354 5.908 -3.900 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.759 4.537 -3.528 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.152 3.870 -2.699 1.00 0.00 H new ATOM 0 HG LEU A 62 4.315 6.610 -2.182 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.107 7.201 -1.278 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.067 6.964 -3.042 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.432 5.702 -1.960 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.747 5.960 0.120 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.179 4.380 -0.472 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.894 4.826 -0.633 1.00 0.00 H new ATOM 930 N ILE A 63 4.738 3.002 -5.309 1.00 0.00 N ATOM 931 CA ILE A 63 5.378 1.833 -5.889 1.00 0.00 C ATOM 932 C ILE A 63 6.476 2.284 -6.855 1.00 0.00 C ATOM 933 O ILE A 63 7.612 1.822 -6.768 1.00 0.00 O ATOM 934 CB ILE A 63 4.336 0.913 -6.528 1.00 0.00 C ATOM 935 CG1 ILE A 63 3.443 0.273 -5.463 1.00 0.00 C ATOM 936 CG2 ILE A 63 5.004 -0.134 -7.422 1.00 0.00 C ATOM 937 CD1 ILE A 63 2.048 -0.018 -6.020 1.00 0.00 C ATOM 0 H ILE A 63 3.721 2.948 -5.254 1.00 0.00 H new ATOM 0 HA ILE A 63 5.860 1.239 -5.113 1.00 0.00 H new ATOM 0 HB ILE A 63 3.692 1.517 -7.167 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.898 -0.653 -5.110 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.364 0.937 -4.603 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.241 -0.775 -7.864 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.561 0.366 -8.214 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.686 -0.740 -6.826 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.433 -0.473 -5.243 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.586 0.913 -6.350 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.129 -0.702 -6.865 1.00 0.00 H new ATOM 949 N ASN A 64 6.097 3.181 -7.753 1.00 0.00 N ATOM 950 CA ASN A 64 7.034 3.700 -8.734 1.00 0.00 C ATOM 951 C ASN A 64 8.180 4.413 -8.012 1.00 0.00 C ATOM 952 O ASN A 64 9.347 4.216 -8.346 1.00 0.00 O ATOM 953 CB ASN A 64 6.358 4.711 -9.662 1.00 0.00 C ATOM 954 CG ASN A 64 7.213 4.974 -10.903 1.00 0.00 C ATOM 955 OD1 ASN A 64 8.121 4.229 -11.232 1.00 0.00 O ATOM 956 ND2 ASN A 64 6.872 6.072 -11.572 1.00 0.00 N ATOM 0 H ASN A 64 5.153 3.562 -7.822 1.00 0.00 H new ATOM 0 HA ASN A 64 7.403 2.861 -9.324 1.00 0.00 H new ATOM 0 HB2 ASN A 64 5.380 4.336 -9.963 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.190 5.646 -9.127 1.00 0.00 H new ATOM 0 HD21 ASN A 64 7.382 6.334 -12.416 1.00 0.00 H new ATOM 0 HD22 ASN A 64 6.101 6.652 -11.241 1.00 0.00 H new ATOM 963 N SER A 65 7.805 5.227 -7.036 1.00 0.00 N ATOM 964 CA SER A 65 8.786 5.970 -6.264 1.00 0.00 C ATOM 965 C SER A 65 9.789 5.007 -5.625 1.00 0.00 C ATOM 966 O SER A 65 10.974 5.319 -5.520 1.00 0.00 O ATOM 967 CB SER A 65 8.110 6.822 -5.188 1.00 0.00 C ATOM 968 OG SER A 65 9.059 7.492 -4.363 1.00 0.00 O ATOM 0 H SER A 65 6.836 5.388 -6.762 1.00 0.00 H new ATOM 0 HA SER A 65 9.316 6.640 -6.941 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.460 7.557 -5.663 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.475 6.188 -4.569 1.00 0.00 H new ATOM 0 HG SER A 65 8.588 8.026 -3.690 1.00 0.00 H new ATOM 974 N GLY A 66 9.276 3.856 -5.216 1.00 0.00 N ATOM 975 CA GLY A 66 10.112 2.845 -4.590 1.00 0.00 C ATOM 976 C GLY A 66 10.802 1.976 -5.643 1.00 0.00 C ATOM 977 O GLY A 66 11.590 1.094 -5.306 1.00 0.00 O ATOM 0 H GLY A 66 8.293 3.601 -5.306 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.862 3.326 -3.962 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.504 2.218 -3.937 1.00 0.00 H new ATOM 981 N GLY A 67 10.482 2.257 -6.898 1.00 0.00 N ATOM 982 CA GLY A 67 11.062 1.512 -8.003 1.00 0.00 C ATOM 983 C GLY A 67 10.278 0.225 -8.268 1.00 0.00 C ATOM 984 O GLY A 67 10.455 -0.412 -9.305 1.00 0.00 O ATOM 0 H GLY A 67 9.829 2.990 -7.174 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.067 2.131 -8.901 1.00 0.00 H new ATOM 0 HA3 GLY A 67 12.100 1.270 -7.777 1.00 0.00 H new ATOM 988 N GLY A 68 9.428 -0.120 -7.312 1.00 0.00 N ATOM 989 CA GLY A 68 8.616 -1.320 -7.429 1.00 0.00 C ATOM 990 C GLY A 68 7.758 -1.280 -8.695 1.00 0.00 C ATOM 991 O GLY A 68 7.689 -0.254 -9.370 1.00 0.00 O ATOM 0 H GLY A 68 9.284 0.410 -6.453 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.260 -2.199 -7.450 1.00 0.00 H new ATOM 0 HA3 GLY A 68 7.974 -1.416 -6.553 1.00 0.00 H new ATOM 995 N VAL A 69 7.127 -2.409 -8.979 1.00 0.00 N ATOM 996 CA VAL A 69 6.276 -2.516 -10.152 1.00 0.00 C ATOM 997 C VAL A 69 4.813 -2.367 -9.731 1.00 0.00 C ATOM 998 O VAL A 69 4.497 -2.413 -8.543 1.00 0.00 O ATOM 999 CB VAL A 69 6.557 -3.830 -10.884 1.00 0.00 C ATOM 1000 CG1 VAL A 69 5.535 -4.902 -10.499 1.00 0.00 C ATOM 1001 CG2 VAL A 69 6.585 -3.619 -12.399 1.00 0.00 C ATOM 0 H VAL A 69 7.188 -3.258 -8.417 1.00 0.00 H new ATOM 0 HA VAL A 69 6.494 -1.714 -10.857 1.00 0.00 H new ATOM 0 HB VAL A 69 7.542 -4.180 -10.576 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.758 -5.826 -11.033 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.584 -5.083 -9.425 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.534 -4.562 -10.764 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.787 -4.568 -12.895 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.621 -3.234 -12.731 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.368 -2.904 -12.652 1.00 0.00 H new ATOM 1011 N ARG A 70 3.958 -2.192 -10.729 1.00 0.00 N ATOM 1012 CA ARG A 70 2.536 -2.037 -10.477 1.00 0.00 C ATOM 1013 C ARG A 70 1.725 -2.845 -11.492 1.00 0.00 C ATOM 1014 O ARG A 70 1.333 -2.324 -12.535 1.00 0.00 O ATOM 1015 CB ARG A 70 2.120 -0.566 -10.557 1.00 0.00 C ATOM 1016 CG ARG A 70 0.612 -0.411 -10.349 1.00 0.00 C ATOM 1017 CD ARG A 70 0.087 0.840 -11.057 1.00 0.00 C ATOM 1018 NE ARG A 70 -0.883 0.457 -12.107 1.00 0.00 N ATOM 1019 CZ ARG A 70 -0.546 0.163 -13.370 1.00 0.00 C ATOM 1020 NH1 ARG A 70 0.739 0.206 -13.748 1.00 0.00 N ATOM 1021 NH2 ARG A 70 -1.494 -0.174 -14.255 1.00 0.00 N ATOM 0 H ARG A 70 4.223 -2.154 -11.713 1.00 0.00 H new ATOM 0 HA ARG A 70 2.336 -2.406 -9.471 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.656 0.009 -9.802 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.401 -0.157 -11.528 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.096 -1.292 -10.730 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.393 -0.349 -9.283 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -0.389 1.504 -10.335 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.916 1.392 -11.500 1.00 0.00 H new ATOM 0 HE ARG A 70 -1.870 0.414 -11.853 1.00 0.00 H new ATOM 0 HH11 ARG A 70 1.461 0.463 -13.074 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.996 -0.018 -14.710 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -2.472 -0.207 -13.967 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -1.238 -0.398 -15.217 1.00 0.00 H new ATOM 1035 N PHE A 71 1.498 -4.105 -11.151 1.00 0.00 N ATOM 1036 CA PHE A 71 0.741 -4.991 -12.019 1.00 0.00 C ATOM 1037 C PHE A 71 -0.764 -4.802 -11.818 1.00 0.00 C ATOM 1038 O PHE A 71 -1.198 -4.312 -10.776 1.00 0.00 O ATOM 1039 CB PHE A 71 1.119 -6.423 -11.637 1.00 0.00 C ATOM 1040 CG PHE A 71 2.233 -7.023 -12.497 1.00 0.00 C ATOM 1041 CD1 PHE A 71 3.489 -6.504 -12.443 1.00 0.00 C ATOM 1042 CD2 PHE A 71 1.967 -8.076 -13.316 1.00 0.00 C ATOM 1043 CE1 PHE A 71 4.523 -7.061 -13.242 1.00 0.00 C ATOM 1044 CE2 PHE A 71 3.001 -8.633 -14.114 1.00 0.00 C ATOM 1045 CZ PHE A 71 4.257 -8.114 -14.060 1.00 0.00 C ATOM 0 H PHE A 71 1.825 -4.534 -10.285 1.00 0.00 H new ATOM 0 HA PHE A 71 0.971 -4.775 -13.062 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.431 -6.439 -10.593 1.00 0.00 H new ATOM 0 HB3 PHE A 71 0.234 -7.054 -11.715 1.00 0.00 H new ATOM 0 HD1 PHE A 71 3.700 -5.668 -11.792 1.00 0.00 H new ATOM 0 HD2 PHE A 71 0.970 -8.488 -13.359 1.00 0.00 H new ATOM 0 HE1 PHE A 71 5.520 -6.648 -13.200 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.790 -9.469 -14.764 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.043 -8.538 -14.667 1.00 0.00 H new ATOM 1055 N ASN A 72 -1.519 -5.201 -12.831 1.00 0.00 N ATOM 1056 CA ASN A 72 -2.966 -5.082 -12.778 1.00 0.00 C ATOM 1057 C ASN A 72 -3.591 -6.477 -12.840 1.00 0.00 C ATOM 1058 O ASN A 72 -4.799 -6.628 -12.669 1.00 0.00 O ATOM 1059 CB ASN A 72 -3.496 -4.274 -13.964 1.00 0.00 C ATOM 1060 CG ASN A 72 -4.545 -3.256 -13.509 1.00 0.00 C ATOM 1061 OD1 ASN A 72 -5.660 -3.214 -14.002 1.00 0.00 O ATOM 1062 ND2 ASN A 72 -4.126 -2.442 -12.545 1.00 0.00 N ATOM 0 H ASN A 72 -1.156 -5.607 -13.693 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.229 -4.575 -11.850 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.671 -3.757 -14.454 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -3.933 -4.947 -14.701 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -4.752 -1.727 -12.173 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -3.179 -2.532 -12.177 1.00 0.00 H new ATOM 1069 N GLN A 73 -2.739 -7.462 -13.085 1.00 0.00 N ATOM 1070 CA GLN A 73 -3.192 -8.840 -13.171 1.00 0.00 C ATOM 1071 C GLN A 73 -2.439 -9.710 -12.163 1.00 0.00 C ATOM 1072 O GLN A 73 -1.284 -9.436 -11.841 1.00 0.00 O ATOM 1073 CB GLN A 73 -3.030 -9.382 -14.593 1.00 0.00 C ATOM 1074 CG GLN A 73 -3.810 -8.531 -15.596 1.00 0.00 C ATOM 1075 CD GLN A 73 -3.954 -9.257 -16.936 1.00 0.00 C ATOM 1076 OE1 GLN A 73 -4.972 -9.856 -17.240 1.00 0.00 O ATOM 1077 NE2 GLN A 73 -2.881 -9.170 -17.716 1.00 0.00 N ATOM 0 H GLN A 73 -1.737 -7.333 -13.227 1.00 0.00 H new ATOM 0 HA GLN A 73 -4.253 -8.870 -12.925 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -1.974 -9.393 -14.864 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -3.381 -10.413 -14.635 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -4.797 -8.302 -15.194 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -3.299 -7.580 -15.747 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -2.061 -8.652 -17.400 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -2.878 -9.621 -18.631 1.00 0.00 H new ATOM 1086 N LEU A 74 -3.125 -10.742 -11.693 1.00 0.00 N ATOM 1087 CA LEU A 74 -2.536 -11.655 -10.728 1.00 0.00 C ATOM 1088 C LEU A 74 -1.796 -12.769 -11.471 1.00 0.00 C ATOM 1089 O LEU A 74 -2.415 -13.569 -12.171 1.00 0.00 O ATOM 1090 CB LEU A 74 -3.600 -12.166 -9.754 1.00 0.00 C ATOM 1091 CG LEU A 74 -3.102 -12.562 -8.363 1.00 0.00 C ATOM 1092 CD1 LEU A 74 -1.626 -12.964 -8.403 1.00 0.00 C ATOM 1093 CD2 LEU A 74 -3.364 -11.447 -7.349 1.00 0.00 C ATOM 0 H LEU A 74 -4.083 -10.966 -11.963 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.799 -11.137 -10.115 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.360 -11.393 -9.639 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.089 -13.031 -10.203 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.665 -13.435 -8.035 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.297 -13.241 -7.401 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.498 -13.813 -9.075 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.030 -12.125 -8.762 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.000 -11.754 -6.368 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.844 -10.541 -7.661 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.435 -11.250 -7.294 1.00 0.00 H new ATOM 1105 N ASN A 75 -0.483 -12.785 -11.294 1.00 0.00 N ATOM 1106 CA ASN A 75 0.347 -13.787 -11.939 1.00 0.00 C ATOM 1107 C ASN A 75 1.412 -14.272 -10.954 1.00 0.00 C ATOM 1108 O ASN A 75 1.407 -13.883 -9.787 1.00 0.00 O ATOM 1109 CB ASN A 75 1.062 -13.207 -13.161 1.00 0.00 C ATOM 1110 CG ASN A 75 1.719 -11.867 -12.826 1.00 0.00 C ATOM 1111 OD1 ASN A 75 2.927 -11.705 -12.889 1.00 0.00 O ATOM 1112 ND2 ASN A 75 0.859 -10.917 -12.468 1.00 0.00 N ATOM 0 H ASN A 75 0.026 -12.119 -10.713 1.00 0.00 H new ATOM 0 HA ASN A 75 -0.298 -14.607 -12.255 1.00 0.00 H new ATOM 0 HB2 ASN A 75 1.818 -13.909 -13.512 1.00 0.00 H new ATOM 0 HB3 ASN A 75 0.349 -13.073 -13.975 1.00 0.00 H new ATOM 0 HD21 ASN A 75 1.199 -9.986 -12.226 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -0.140 -11.119 -12.436 1.00 0.00 H new ATOM 1119 N GLU A 76 2.301 -15.114 -11.460 1.00 0.00 N ATOM 1120 CA GLU A 76 3.370 -15.657 -10.639 1.00 0.00 C ATOM 1121 C GLU A 76 4.492 -14.628 -10.481 1.00 0.00 C ATOM 1122 O GLU A 76 5.137 -14.563 -9.436 1.00 0.00 O ATOM 1123 CB GLU A 76 3.905 -16.964 -11.228 1.00 0.00 C ATOM 1124 CG GLU A 76 2.778 -17.983 -11.413 1.00 0.00 C ATOM 1125 CD GLU A 76 3.315 -19.295 -11.988 1.00 0.00 C ATOM 1126 OE1 GLU A 76 4.033 -19.992 -11.238 1.00 0.00 O ATOM 1127 OE2 GLU A 76 2.995 -19.572 -13.164 1.00 0.00 O ATOM 0 H GLU A 76 2.303 -15.434 -12.429 1.00 0.00 H new ATOM 0 HA GLU A 76 2.965 -15.881 -9.652 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.383 -16.766 -12.188 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.670 -17.377 -10.571 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.293 -18.173 -10.455 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.018 -17.574 -12.079 1.00 0.00 H new ATOM 1134 N ASP A 77 4.690 -13.849 -11.535 1.00 0.00 N ATOM 1135 CA ASP A 77 5.722 -12.826 -11.526 1.00 0.00 C ATOM 1136 C ASP A 77 5.503 -11.897 -10.331 1.00 0.00 C ATOM 1137 O ASP A 77 6.418 -11.187 -9.915 1.00 0.00 O ATOM 1138 CB ASP A 77 5.670 -11.980 -12.799 1.00 0.00 C ATOM 1139 CG ASP A 77 6.996 -11.865 -13.554 1.00 0.00 C ATOM 1140 OD1 ASP A 77 7.953 -12.544 -13.126 1.00 0.00 O ATOM 1141 OD2 ASP A 77 7.021 -11.101 -14.543 1.00 0.00 O ATOM 0 H ASP A 77 4.153 -13.906 -12.400 1.00 0.00 H new ATOM 0 HA ASP A 77 6.690 -13.324 -11.464 1.00 0.00 H new ATOM 0 HB2 ASP A 77 4.923 -12.405 -13.469 1.00 0.00 H new ATOM 0 HB3 ASP A 77 5.330 -10.978 -12.538 1.00 0.00 H new ATOM 1146 N VAL A 78 4.284 -11.930 -9.812 1.00 0.00 N ATOM 1147 CA VAL A 78 3.933 -11.099 -8.673 1.00 0.00 C ATOM 1148 C VAL A 78 4.695 -11.585 -7.438 1.00 0.00 C ATOM 1149 O VAL A 78 4.724 -12.781 -7.153 1.00 0.00 O ATOM 1150 CB VAL A 78 2.416 -11.096 -8.476 1.00 0.00 C ATOM 1151 CG1 VAL A 78 2.035 -10.414 -7.160 1.00 0.00 C ATOM 1152 CG2 VAL A 78 1.710 -10.433 -9.660 1.00 0.00 C ATOM 0 H VAL A 78 3.527 -12.519 -10.159 1.00 0.00 H new ATOM 0 HA VAL A 78 4.227 -10.064 -8.850 1.00 0.00 H new ATOM 0 HB VAL A 78 2.084 -12.133 -8.425 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.951 -10.426 -7.045 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.494 -10.947 -6.328 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.388 -9.383 -7.169 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.633 -10.444 -9.494 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.051 -9.402 -9.757 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.942 -10.979 -10.574 1.00 0.00 H new ATOM 1162 N THR A 79 5.294 -10.632 -6.739 1.00 0.00 N ATOM 1163 CA THR A 79 6.054 -10.948 -5.541 1.00 0.00 C ATOM 1164 C THR A 79 5.363 -10.372 -4.304 1.00 0.00 C ATOM 1165 O THR A 79 5.752 -10.670 -3.176 1.00 0.00 O ATOM 1166 CB THR A 79 7.480 -10.431 -5.737 1.00 0.00 C ATOM 1167 OG1 THR A 79 7.333 -9.014 -5.778 1.00 0.00 O ATOM 1168 CG2 THR A 79 8.049 -10.786 -7.112 1.00 0.00 C ATOM 0 H THR A 79 5.269 -9.641 -6.979 1.00 0.00 H new ATOM 0 HA THR A 79 6.103 -12.024 -5.375 1.00 0.00 H new ATOM 0 HB THR A 79 8.125 -10.843 -4.961 1.00 0.00 H new ATOM 0 HG1 THR A 79 6.401 -8.788 -5.981 1.00 0.00 H new ATOM 0 HG21 THR A 79 9.063 -10.395 -7.198 1.00 0.00 H new ATOM 0 HG22 THR A 79 8.066 -11.869 -7.230 1.00 0.00 H new ATOM 0 HG23 THR A 79 7.424 -10.346 -7.889 1.00 0.00 H new ATOM 1176 N HIS A 80 4.350 -9.557 -4.556 1.00 0.00 N ATOM 1177 CA HIS A 80 3.601 -8.936 -3.477 1.00 0.00 C ATOM 1178 C HIS A 80 2.230 -8.492 -3.992 1.00 0.00 C ATOM 1179 O HIS A 80 2.106 -8.047 -5.131 1.00 0.00 O ATOM 1180 CB HIS A 80 4.399 -7.791 -2.850 1.00 0.00 C ATOM 1181 CG HIS A 80 5.790 -8.180 -2.411 1.00 0.00 C ATOM 1182 ND1 HIS A 80 6.833 -8.368 -3.302 1.00 0.00 N ATOM 1183 CD2 HIS A 80 6.299 -8.414 -1.167 1.00 0.00 C ATOM 1184 CE1 HIS A 80 7.915 -8.700 -2.614 1.00 0.00 C ATOM 1185 NE2 HIS A 80 7.583 -8.729 -1.292 1.00 0.00 N ATOM 0 H HIS A 80 4.030 -9.312 -5.493 1.00 0.00 H new ATOM 0 HA HIS A 80 3.433 -9.662 -2.682 1.00 0.00 H new ATOM 0 HB2 HIS A 80 4.471 -6.975 -3.570 1.00 0.00 H new ATOM 0 HB3 HIS A 80 3.851 -7.409 -1.989 1.00 0.00 H new ATOM 0 HD1 HIS A 80 6.778 -8.268 -4.316 1.00 0.00 H new ATOM 0 HD2 HIS A 80 5.751 -8.353 -0.238 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.890 -8.911 -3.028 1.00 0.00 H new ATOM 1193 N VAL A 81 1.236 -8.629 -3.127 1.00 0.00 N ATOM 1194 CA VAL A 81 -0.121 -8.247 -3.480 1.00 0.00 C ATOM 1195 C VAL A 81 -0.655 -7.259 -2.440 1.00 0.00 C ATOM 1196 O VAL A 81 -1.126 -7.664 -1.379 1.00 0.00 O ATOM 1197 CB VAL A 81 -0.995 -9.494 -3.624 1.00 0.00 C ATOM 1198 CG1 VAL A 81 -2.478 -9.122 -3.667 1.00 0.00 C ATOM 1199 CG2 VAL A 81 -0.596 -10.304 -4.859 1.00 0.00 C ATOM 0 H VAL A 81 1.343 -8.999 -2.183 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.137 -7.742 -4.446 1.00 0.00 H new ATOM 0 HB VAL A 81 -0.832 -10.120 -2.747 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.077 -10.027 -3.770 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.751 -8.609 -2.745 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.664 -8.465 -4.517 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.233 -11.185 -4.938 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.715 -9.689 -5.751 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.445 -10.616 -4.769 1.00 0.00 H new ATOM 1209 N ILE A 82 -0.564 -5.982 -2.783 1.00 0.00 N ATOM 1210 CA ILE A 82 -1.032 -4.934 -1.892 1.00 0.00 C ATOM 1211 C ILE A 82 -2.545 -4.772 -2.053 1.00 0.00 C ATOM 1212 O ILE A 82 -3.009 -4.179 -3.025 1.00 0.00 O ATOM 1213 CB ILE A 82 -0.247 -3.642 -2.127 1.00 0.00 C ATOM 1214 CG1 ILE A 82 1.260 -3.895 -2.060 1.00 0.00 C ATOM 1215 CG2 ILE A 82 -0.688 -2.547 -1.153 1.00 0.00 C ATOM 1216 CD1 ILE A 82 1.778 -3.747 -0.628 1.00 0.00 C ATOM 0 H ILE A 82 -0.173 -5.650 -3.665 1.00 0.00 H new ATOM 0 HA ILE A 82 -0.849 -5.207 -0.853 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.469 -3.287 -3.133 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.481 -4.897 -2.429 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.779 -3.193 -2.713 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -0.114 -1.640 -1.342 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.749 -2.341 -1.293 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -0.515 -2.879 -0.129 1.00 0.00 H new ATOM 0 HD11 ILE A 82 2.852 -3.932 -0.609 1.00 0.00 H new ATOM 0 HD12 ILE A 82 1.577 -2.737 -0.271 1.00 0.00 H new ATOM 0 HD13 ILE A 82 1.274 -4.467 0.017 1.00 0.00 H new ATOM 1228 N VAL A 83 -3.271 -5.311 -1.085 1.00 0.00 N ATOM 1229 CA VAL A 83 -4.722 -5.234 -1.106 1.00 0.00 C ATOM 1230 C VAL A 83 -5.170 -3.934 -0.435 1.00 0.00 C ATOM 1231 O VAL A 83 -4.488 -3.423 0.452 1.00 0.00 O ATOM 1232 CB VAL A 83 -5.322 -6.481 -0.455 1.00 0.00 C ATOM 1233 CG1 VAL A 83 -6.838 -6.531 -0.657 1.00 0.00 C ATOM 1234 CG2 VAL A 83 -4.656 -7.752 -0.986 1.00 0.00 C ATOM 0 H VAL A 83 -2.882 -5.803 -0.281 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.088 -5.212 -2.132 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.129 -6.424 0.616 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.239 -7.428 -0.184 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.294 -5.649 -0.208 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.062 -6.552 -1.723 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.101 -8.624 -0.507 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.803 -7.816 -2.064 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.589 -7.723 -0.766 1.00 0.00 H new ATOM 1244 N GLY A 84 -6.313 -3.437 -0.883 1.00 0.00 N ATOM 1245 CA GLY A 84 -6.860 -2.207 -0.336 1.00 0.00 C ATOM 1246 C GLY A 84 -8.198 -2.463 0.360 1.00 0.00 C ATOM 1247 O GLY A 84 -8.535 -1.788 1.331 1.00 0.00 O ATOM 0 H GLY A 84 -6.876 -3.864 -1.619 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.154 -1.775 0.373 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -6.995 -1.478 -1.135 1.00 0.00 H new ATOM 1251 N ASP A 85 -8.923 -3.441 -0.163 1.00 0.00 N ATOM 1252 CA ASP A 85 -10.216 -3.795 0.397 1.00 0.00 C ATOM 1253 C ASP A 85 -10.265 -5.304 0.643 1.00 0.00 C ATOM 1254 O ASP A 85 -10.504 -5.746 1.766 1.00 0.00 O ATOM 1255 CB ASP A 85 -11.350 -3.437 -0.566 1.00 0.00 C ATOM 1256 CG ASP A 85 -12.576 -2.797 0.088 1.00 0.00 C ATOM 1257 OD1 ASP A 85 -13.187 -3.480 0.938 1.00 0.00 O ATOM 1258 OD2 ASP A 85 -12.875 -1.639 -0.276 1.00 0.00 O ATOM 0 H ASP A 85 -8.640 -3.999 -0.968 1.00 0.00 H new ATOM 0 HA ASP A 85 -10.343 -3.241 1.327 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.962 -2.754 -1.322 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.665 -4.342 -1.085 1.00 0.00 H new ATOM 1263 N TYR A 86 -10.034 -6.054 -0.425 1.00 0.00 N ATOM 1264 CA TYR A 86 -10.048 -7.504 -0.339 1.00 0.00 C ATOM 1265 C TYR A 86 -9.377 -8.133 -1.562 1.00 0.00 C ATOM 1266 O TYR A 86 -9.178 -7.466 -2.577 1.00 0.00 O ATOM 1267 CB TYR A 86 -11.523 -7.911 -0.316 1.00 0.00 C ATOM 1268 CG TYR A 86 -12.424 -7.030 -1.183 1.00 0.00 C ATOM 1269 CD1 TYR A 86 -12.212 -6.954 -2.545 1.00 0.00 C ATOM 1270 CD2 TYR A 86 -13.450 -6.311 -0.604 1.00 0.00 C ATOM 1271 CE1 TYR A 86 -13.061 -6.125 -3.361 1.00 0.00 C ATOM 1272 CE2 TYR A 86 -14.299 -5.482 -1.420 1.00 0.00 C ATOM 1273 CZ TYR A 86 -14.062 -5.430 -2.758 1.00 0.00 C ATOM 1274 OH TYR A 86 -14.864 -4.647 -3.529 1.00 0.00 O ATOM 0 H TYR A 86 -9.836 -5.684 -1.355 1.00 0.00 H new ATOM 0 HA TYR A 86 -9.507 -7.841 0.545 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -11.610 -8.944 -0.652 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -11.882 -7.880 0.713 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -11.409 -7.516 -2.999 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -13.616 -6.370 0.461 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -12.906 -6.057 -4.428 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -15.105 -4.915 -0.979 1.00 0.00 H new ATOM 0 HH TYR A 86 -15.536 -4.211 -2.964 1.00 0.00 H new ATOM 1284 N ASP A 87 -9.046 -9.408 -1.425 1.00 0.00 N ATOM 1285 CA ASP A 87 -8.401 -10.134 -2.506 1.00 0.00 C ATOM 1286 C ASP A 87 -9.286 -11.310 -2.924 1.00 0.00 C ATOM 1287 O ASP A 87 -9.083 -12.435 -2.472 1.00 0.00 O ATOM 1288 CB ASP A 87 -7.048 -10.695 -2.063 1.00 0.00 C ATOM 1289 CG ASP A 87 -7.111 -11.705 -0.916 1.00 0.00 C ATOM 1290 OD1 ASP A 87 -7.546 -11.292 0.181 1.00 0.00 O ATOM 1291 OD2 ASP A 87 -6.723 -12.867 -1.161 1.00 0.00 O ATOM 0 H ASP A 87 -9.212 -9.957 -0.582 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.251 -9.442 -3.334 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.571 -11.170 -2.920 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.409 -9.865 -1.762 1.00 0.00 H new ATOM 1296 N ASP A 88 -10.249 -11.008 -3.783 1.00 0.00 N ATOM 1297 CA ASP A 88 -11.166 -12.026 -4.267 1.00 0.00 C ATOM 1298 C ASP A 88 -10.637 -12.598 -5.584 1.00 0.00 C ATOM 1299 O ASP A 88 -10.956 -13.729 -5.946 1.00 0.00 O ATOM 1300 CB ASP A 88 -12.553 -11.438 -4.530 1.00 0.00 C ATOM 1301 CG ASP A 88 -13.343 -11.058 -3.276 1.00 0.00 C ATOM 1302 OD1 ASP A 88 -12.889 -11.449 -2.179 1.00 0.00 O ATOM 1303 OD2 ASP A 88 -14.384 -10.386 -3.442 1.00 0.00 O ATOM 0 H ASP A 88 -10.414 -10.073 -4.156 1.00 0.00 H new ATOM 0 HA ASP A 88 -11.242 -12.801 -3.505 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -12.443 -10.551 -5.154 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -13.135 -12.160 -5.103 1.00 0.00 H new ATOM 1308 N GLU A 89 -9.839 -11.789 -6.265 1.00 0.00 N ATOM 1309 CA GLU A 89 -9.263 -12.200 -7.534 1.00 0.00 C ATOM 1310 C GLU A 89 -8.133 -13.205 -7.303 1.00 0.00 C ATOM 1311 O GLU A 89 -8.026 -14.200 -8.020 1.00 0.00 O ATOM 1312 CB GLU A 89 -8.767 -10.990 -8.328 1.00 0.00 C ATOM 1313 CG GLU A 89 -7.495 -11.330 -9.108 1.00 0.00 C ATOM 1314 CD GLU A 89 -7.726 -12.520 -10.042 1.00 0.00 C ATOM 1315 OE1 GLU A 89 -8.911 -12.792 -10.332 1.00 0.00 O ATOM 1316 OE2 GLU A 89 -6.712 -13.131 -10.444 1.00 0.00 O ATOM 0 H GLU A 89 -9.578 -10.851 -5.962 1.00 0.00 H new ATOM 0 HA GLU A 89 -10.040 -12.686 -8.123 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.544 -10.660 -9.018 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -8.571 -10.160 -7.649 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.178 -10.464 -9.689 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.688 -11.560 -8.412 1.00 0.00 H new ATOM 1323 N LEU A 90 -7.318 -12.912 -6.301 1.00 0.00 N ATOM 1324 CA LEU A 90 -6.200 -13.778 -5.967 1.00 0.00 C ATOM 1325 C LEU A 90 -6.671 -15.233 -5.963 1.00 0.00 C ATOM 1326 O LEU A 90 -5.980 -16.114 -6.471 1.00 0.00 O ATOM 1327 CB LEU A 90 -5.555 -13.337 -4.651 1.00 0.00 C ATOM 1328 CG LEU A 90 -4.037 -13.509 -4.558 1.00 0.00 C ATOM 1329 CD1 LEU A 90 -3.378 -12.253 -3.984 1.00 0.00 C ATOM 1330 CD2 LEU A 90 -3.676 -14.762 -3.758 1.00 0.00 C ATOM 0 H LEU A 90 -7.409 -12.086 -5.709 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.418 -13.698 -6.722 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.792 -12.286 -4.487 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.015 -13.898 -3.838 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.646 -13.646 -5.566 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.300 -12.401 -3.928 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.595 -11.401 -4.629 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.770 -12.061 -2.985 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.592 -14.861 -3.707 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.081 -14.679 -2.749 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.098 -15.640 -4.247 1.00 0.00 H new ATOM 1342 N LYS A 91 -7.845 -15.440 -5.384 1.00 0.00 N ATOM 1343 CA LYS A 91 -8.416 -16.774 -5.308 1.00 0.00 C ATOM 1344 C LYS A 91 -8.378 -17.421 -6.694 1.00 0.00 C ATOM 1345 O LYS A 91 -8.128 -18.619 -6.817 1.00 0.00 O ATOM 1346 CB LYS A 91 -9.816 -16.722 -4.691 1.00 0.00 C ATOM 1347 CG LYS A 91 -9.750 -16.861 -3.169 1.00 0.00 C ATOM 1348 CD LYS A 91 -11.151 -16.849 -2.556 1.00 0.00 C ATOM 1349 CE LYS A 91 -11.086 -17.002 -1.035 1.00 0.00 C ATOM 1350 NZ LYS A 91 -12.010 -18.065 -0.581 1.00 0.00 N ATOM 0 H LYS A 91 -8.416 -14.707 -4.963 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.823 -17.405 -4.646 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.298 -15.780 -4.953 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -10.430 -17.521 -5.106 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.242 -17.789 -2.907 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.159 -16.046 -2.751 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -11.655 -15.916 -2.810 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.745 -17.658 -2.981 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.067 -17.243 -0.731 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -11.346 -16.057 -0.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.953 -18.156 0.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -12.983 -17.819 -0.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.744 -18.968 -1.023 1.00 0.00 H new ATOM 1364 N GLN A 92 -8.631 -16.599 -7.702 1.00 0.00 N ATOM 1365 CA GLN A 92 -8.629 -17.076 -9.075 1.00 0.00 C ATOM 1366 C GLN A 92 -7.222 -17.523 -9.479 1.00 0.00 C ATOM 1367 O GLN A 92 -7.055 -18.568 -10.105 1.00 0.00 O ATOM 1368 CB GLN A 92 -9.160 -16.004 -10.029 1.00 0.00 C ATOM 1369 CG GLN A 92 -10.487 -15.433 -9.527 1.00 0.00 C ATOM 1370 CD GLN A 92 -11.607 -15.676 -10.541 1.00 0.00 C ATOM 1371 OE1 GLN A 92 -11.375 -15.955 -11.706 1.00 0.00 O ATOM 1372 NE2 GLN A 92 -12.831 -15.556 -10.034 1.00 0.00 N ATOM 0 H GLN A 92 -8.839 -15.606 -7.596 1.00 0.00 H new ATOM 0 HA GLN A 92 -9.295 -17.936 -9.142 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -8.428 -15.202 -10.125 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -9.296 -16.431 -11.022 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -10.748 -15.894 -8.574 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -10.381 -14.363 -9.346 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -12.954 -15.320 -9.049 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -13.646 -15.700 -10.630 1.00 0.00 H new ATOM 1381 N PHE A 93 -6.247 -16.708 -9.105 1.00 0.00 N ATOM 1382 CA PHE A 93 -4.860 -17.006 -9.421 1.00 0.00 C ATOM 1383 C PHE A 93 -4.393 -18.271 -8.699 1.00 0.00 C ATOM 1384 O PHE A 93 -3.486 -18.957 -9.166 1.00 0.00 O ATOM 1385 CB PHE A 93 -4.026 -15.818 -8.936 1.00 0.00 C ATOM 1386 CG PHE A 93 -2.518 -16.078 -8.931 1.00 0.00 C ATOM 1387 CD1 PHE A 93 -1.897 -16.499 -10.065 1.00 0.00 C ATOM 1388 CD2 PHE A 93 -1.800 -15.889 -7.792 1.00 0.00 C ATOM 1389 CE1 PHE A 93 -0.497 -16.740 -10.060 1.00 0.00 C ATOM 1390 CE2 PHE A 93 -0.400 -16.131 -7.786 1.00 0.00 C ATOM 1391 CZ PHE A 93 0.221 -16.551 -8.921 1.00 0.00 C ATOM 0 H PHE A 93 -6.390 -15.841 -8.586 1.00 0.00 H new ATOM 0 HA PHE A 93 -4.749 -17.170 -10.493 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -4.234 -14.957 -9.572 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -4.342 -15.553 -7.927 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -2.468 -16.650 -10.969 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -2.294 -15.555 -6.892 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -0.003 -17.073 -10.961 1.00 0.00 H new ATOM 0 HE2 PHE A 93 0.171 -15.982 -6.881 1.00 0.00 H new ATOM 0 HZ PHE A 93 1.285 -16.734 -8.917 1.00 0.00 H new ATOM 1401 N TRP A 94 -5.034 -18.542 -7.572 1.00 0.00 N ATOM 1402 CA TRP A 94 -4.696 -19.713 -6.781 1.00 0.00 C ATOM 1403 C TRP A 94 -5.309 -20.937 -7.463 1.00 0.00 C ATOM 1404 O TRP A 94 -4.966 -22.072 -7.133 1.00 0.00 O ATOM 1405 CB TRP A 94 -5.152 -19.545 -5.330 1.00 0.00 C ATOM 1406 CG TRP A 94 -4.167 -18.770 -4.453 1.00 0.00 C ATOM 1407 CD1 TRP A 94 -2.833 -18.709 -4.567 1.00 0.00 C ATOM 1408 CD2 TRP A 94 -4.494 -17.944 -3.316 1.00 0.00 C ATOM 1409 NE1 TRP A 94 -2.278 -17.906 -3.590 1.00 0.00 N ATOM 1410 CE2 TRP A 94 -3.321 -17.427 -2.805 1.00 0.00 C ATOM 1411 CE3 TRP A 94 -5.740 -17.644 -2.737 1.00 0.00 C ATOM 1412 CZ2 TRP A 94 -3.277 -16.578 -1.693 1.00 0.00 C ATOM 1413 CZ3 TRP A 94 -5.679 -16.794 -1.626 1.00 0.00 C ATOM 1414 CH2 TRP A 94 -4.506 -16.265 -1.100 1.00 0.00 C ATOM 0 H TRP A 94 -5.786 -17.970 -7.187 1.00 0.00 H new ATOM 0 HA TRP A 94 -3.615 -19.847 -6.732 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -6.113 -19.032 -5.319 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -5.312 -20.531 -4.894 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -2.264 -19.223 -5.327 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -1.286 -17.702 -3.467 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -6.670 -18.038 -3.119 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -2.345 -16.186 -1.313 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -6.609 -16.531 -1.144 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -4.543 -15.616 -0.238 1.00 0.00 H new ATOM 1425 N ASN A 95 -6.204 -20.666 -8.400 1.00 0.00 N ATOM 1426 CA ASN A 95 -6.868 -21.732 -9.132 1.00 0.00 C ATOM 1427 C ASN A 95 -6.222 -21.878 -10.511 1.00 0.00 C ATOM 1428 O ASN A 95 -6.677 -22.672 -11.332 1.00 0.00 O ATOM 1429 CB ASN A 95 -8.352 -21.419 -9.336 1.00 0.00 C ATOM 1430 CG ASN A 95 -9.162 -22.703 -9.527 1.00 0.00 C ATOM 1431 OD1 ASN A 95 -8.980 -23.691 -8.835 1.00 0.00 O ATOM 1432 ND2 ASN A 95 -10.064 -22.633 -10.502 1.00 0.00 N ATOM 0 H ASN A 95 -6.486 -19.724 -8.670 1.00 0.00 H new ATOM 0 HA ASN A 95 -6.769 -22.650 -8.553 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -8.733 -20.869 -8.475 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -8.475 -20.774 -10.206 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -10.655 -23.438 -10.708 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -10.164 -21.774 -11.043 1.00 0.00 H new ATOM 1439 N LYS A 96 -5.171 -21.100 -10.722 1.00 0.00 N ATOM 1440 CA LYS A 96 -4.457 -21.132 -11.987 1.00 0.00 C ATOM 1441 C LYS A 96 -3.034 -21.643 -11.752 1.00 0.00 C ATOM 1442 O LYS A 96 -2.721 -22.788 -12.075 1.00 0.00 O ATOM 1443 CB LYS A 96 -4.515 -19.764 -12.670 1.00 0.00 C ATOM 1444 CG LYS A 96 -5.963 -19.325 -12.896 1.00 0.00 C ATOM 1445 CD LYS A 96 -6.146 -18.743 -14.299 1.00 0.00 C ATOM 1446 CE LYS A 96 -7.622 -18.467 -14.590 1.00 0.00 C ATOM 1447 NZ LYS A 96 -7.781 -17.167 -15.279 1.00 0.00 N ATOM 0 H LYS A 96 -4.796 -20.443 -10.038 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.935 -21.827 -12.677 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -3.999 -19.025 -12.057 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -3.991 -19.808 -13.625 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -6.630 -20.176 -12.762 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -6.242 -18.581 -12.150 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -5.575 -17.819 -14.391 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -5.749 -19.438 -15.039 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -8.032 -19.265 -15.208 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -8.188 -18.463 -13.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -8.789 -16.996 -15.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -7.408 -16.406 -14.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -7.258 -17.184 -16.178 1.00 0.00 H new ATOM 1461 N SER A 97 -2.211 -20.769 -11.192 1.00 0.00 N ATOM 1462 CA SER A 97 -0.829 -21.118 -10.910 1.00 0.00 C ATOM 1463 C SER A 97 -0.659 -21.419 -9.419 1.00 0.00 C ATOM 1464 O SER A 97 -1.461 -20.979 -8.598 1.00 0.00 O ATOM 1465 CB SER A 97 0.120 -19.996 -11.336 1.00 0.00 C ATOM 1466 OG SER A 97 0.158 -19.838 -12.752 1.00 0.00 O ATOM 0 H SER A 97 -2.474 -19.820 -10.926 1.00 0.00 H new ATOM 0 HA SER A 97 -0.577 -22.009 -11.485 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.195 -19.060 -10.875 1.00 0.00 H new ATOM 0 HB3 SER A 97 1.123 -20.210 -10.968 1.00 0.00 H new ATOM 0 HG SER A 97 1.087 -19.876 -13.061 1.00 0.00 H new ATOM 1472 N ALA A 98 0.392 -22.167 -9.116 1.00 0.00 N ATOM 1473 CA ALA A 98 0.678 -22.532 -7.739 1.00 0.00 C ATOM 1474 C ALA A 98 1.730 -21.578 -7.171 1.00 0.00 C ATOM 1475 O ALA A 98 2.924 -21.750 -7.413 1.00 0.00 O ATOM 1476 CB ALA A 98 1.124 -23.994 -7.680 1.00 0.00 C ATOM 0 H ALA A 98 1.056 -22.530 -9.800 1.00 0.00 H new ATOM 0 HA ALA A 98 -0.217 -22.440 -7.124 1.00 0.00 H new ATOM 0 HB1 ALA A 98 1.339 -24.268 -6.647 1.00 0.00 H new ATOM 0 HB2 ALA A 98 0.330 -24.633 -8.067 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.022 -24.125 -8.284 1.00 0.00 H new ATOM 1482 N HIS A 99 1.249 -20.593 -6.426 1.00 0.00 N ATOM 1483 CA HIS A 99 2.134 -19.612 -5.821 1.00 0.00 C ATOM 1484 C HIS A 99 1.412 -18.911 -4.669 1.00 0.00 C ATOM 1485 O HIS A 99 0.208 -18.667 -4.742 1.00 0.00 O ATOM 1486 CB HIS A 99 2.661 -18.634 -6.873 1.00 0.00 C ATOM 1487 CG HIS A 99 3.376 -17.436 -6.295 1.00 0.00 C ATOM 1488 ND1 HIS A 99 4.582 -17.535 -5.624 1.00 0.00 N ATOM 1489 CD2 HIS A 99 3.042 -16.114 -6.295 1.00 0.00 C ATOM 1490 CE1 HIS A 99 4.949 -16.321 -5.242 1.00 0.00 C ATOM 1491 NE2 HIS A 99 3.993 -15.441 -5.658 1.00 0.00 N ATOM 0 H HIS A 99 0.258 -20.453 -6.228 1.00 0.00 H new ATOM 0 HA HIS A 99 3.008 -20.113 -5.405 1.00 0.00 H new ATOM 0 HB2 HIS A 99 3.342 -19.164 -7.538 1.00 0.00 H new ATOM 0 HB3 HIS A 99 1.826 -18.287 -7.482 1.00 0.00 H new ATOM 0 HD2 HIS A 99 2.155 -15.687 -6.738 1.00 0.00 H new ATOM 0 HE1 HIS A 99 5.847 -16.072 -4.697 1.00 0.00 H new ATOM 0 HE2 HIS A 99 4.007 -14.433 -5.505 1.00 0.00 H new ATOM 1499 N ARG A 100 2.177 -18.606 -3.631 1.00 0.00 N ATOM 1500 CA ARG A 100 1.625 -17.938 -2.465 1.00 0.00 C ATOM 1501 C ARG A 100 2.270 -16.562 -2.287 1.00 0.00 C ATOM 1502 O ARG A 100 3.290 -16.433 -1.612 1.00 0.00 O ATOM 1503 CB ARG A 100 1.849 -18.766 -1.198 1.00 0.00 C ATOM 1504 CG ARG A 100 0.528 -19.026 -0.471 1.00 0.00 C ATOM 1505 CD ARG A 100 0.268 -17.957 0.592 1.00 0.00 C ATOM 1506 NE ARG A 100 0.543 -18.506 1.939 1.00 0.00 N ATOM 1507 CZ ARG A 100 -0.132 -19.525 2.487 1.00 0.00 C ATOM 1508 NH1 ARG A 100 -1.126 -20.113 1.807 1.00 0.00 N ATOM 1509 NH2 ARG A 100 0.187 -19.957 3.715 1.00 0.00 N ATOM 0 H ARG A 100 3.175 -18.809 -3.573 1.00 0.00 H new ATOM 0 HA ARG A 100 0.553 -17.823 -2.625 1.00 0.00 H new ATOM 0 HB2 ARG A 100 2.318 -19.715 -1.458 1.00 0.00 H new ATOM 0 HB3 ARG A 100 2.536 -18.242 -0.534 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -0.291 -19.036 -1.190 1.00 0.00 H new ATOM 0 HG3 ARG A 100 0.554 -20.010 -0.003 1.00 0.00 H new ATOM 0 HD2 ARG A 100 0.900 -17.088 0.408 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -0.766 -17.617 0.533 1.00 0.00 H new ATOM 0 HE ARG A 100 1.294 -18.082 2.484 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -1.368 -19.785 0.872 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -1.640 -20.889 2.224 1.00 0.00 H new ATOM 0 HH21 ARG A 100 0.944 -19.510 4.232 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -0.327 -20.733 4.132 1.00 0.00 H new ATOM 1523 N PRO A 101 1.631 -15.542 -2.920 1.00 0.00 N ATOM 1524 CA PRO A 101 2.131 -14.180 -2.838 1.00 0.00 C ATOM 1525 C PRO A 101 1.829 -13.566 -1.470 1.00 0.00 C ATOM 1526 O PRO A 101 1.033 -14.108 -0.704 1.00 0.00 O ATOM 1527 CB PRO A 101 1.455 -13.443 -3.982 1.00 0.00 C ATOM 1528 CG PRO A 101 0.255 -14.291 -4.373 1.00 0.00 C ATOM 1529 CD PRO A 101 0.420 -15.657 -3.727 1.00 0.00 C ATOM 0 HA PRO A 101 3.216 -14.124 -2.932 1.00 0.00 H new ATOM 0 HB2 PRO A 101 1.144 -12.445 -3.674 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.136 -13.319 -4.824 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -0.670 -13.820 -4.040 1.00 0.00 H new ATOM 0 HG3 PRO A 101 0.192 -14.386 -5.457 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -0.443 -15.911 -3.112 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.518 -16.441 -4.478 1.00 0.00 H new ATOM 1537 N HIS A 102 2.481 -12.444 -1.203 1.00 0.00 N ATOM 1538 CA HIS A 102 2.292 -11.750 0.060 1.00 0.00 C ATOM 1539 C HIS A 102 1.115 -10.780 -0.059 1.00 0.00 C ATOM 1540 O HIS A 102 1.252 -9.698 -0.629 1.00 0.00 O ATOM 1541 CB HIS A 102 3.585 -11.063 0.501 1.00 0.00 C ATOM 1542 CG HIS A 102 4.782 -11.982 0.555 1.00 0.00 C ATOM 1543 ND1 HIS A 102 4.809 -13.133 1.324 1.00 0.00 N ATOM 1544 CD2 HIS A 102 5.991 -11.909 -0.072 1.00 0.00 C ATOM 1545 CE1 HIS A 102 5.986 -13.718 1.160 1.00 0.00 C ATOM 1546 NE2 HIS A 102 6.718 -12.958 0.295 1.00 0.00 N ATOM 0 H HIS A 102 3.141 -11.998 -1.840 1.00 0.00 H new ATOM 0 HA HIS A 102 2.047 -12.469 0.842 1.00 0.00 H new ATOM 0 HB2 HIS A 102 3.800 -10.243 -0.184 1.00 0.00 H new ATOM 0 HB3 HIS A 102 3.433 -10.623 1.487 1.00 0.00 H new ATOM 0 HD2 HIS A 102 6.304 -11.130 -0.752 1.00 0.00 H new ATOM 0 HE1 HIS A 102 6.310 -14.636 1.629 1.00 0.00 H new ATOM 0 HE2 HIS A 102 7.667 -13.162 -0.018 1.00 0.00 H new ATOM 1554 N VAL A 103 -0.016 -11.201 0.488 1.00 0.00 N ATOM 1555 CA VAL A 103 -1.216 -10.383 0.451 1.00 0.00 C ATOM 1556 C VAL A 103 -1.224 -9.442 1.658 1.00 0.00 C ATOM 1557 O VAL A 103 -1.668 -9.820 2.741 1.00 0.00 O ATOM 1558 CB VAL A 103 -2.456 -11.276 0.380 1.00 0.00 C ATOM 1559 CG1 VAL A 103 -3.723 -10.440 0.184 1.00 0.00 C ATOM 1560 CG2 VAL A 103 -2.314 -12.325 -0.724 1.00 0.00 C ATOM 0 H VAL A 103 -0.126 -12.099 0.960 1.00 0.00 H new ATOM 0 HA VAL A 103 -1.228 -9.762 -0.445 1.00 0.00 H new ATOM 0 HB VAL A 103 -2.545 -11.802 1.331 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.590 -11.099 0.137 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -3.837 -9.750 1.020 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -3.646 -9.875 -0.745 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -3.209 -12.946 -0.753 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.187 -11.827 -1.685 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -1.444 -12.950 -0.522 1.00 0.00 H new ATOM 1570 N VAL A 104 -0.728 -8.235 1.430 1.00 0.00 N ATOM 1571 CA VAL A 104 -0.673 -7.237 2.485 1.00 0.00 C ATOM 1572 C VAL A 104 -1.414 -5.978 2.030 1.00 0.00 C ATOM 1573 O VAL A 104 -1.894 -5.911 0.899 1.00 0.00 O ATOM 1574 CB VAL A 104 0.782 -6.967 2.873 1.00 0.00 C ATOM 1575 CG1 VAL A 104 1.433 -8.218 3.468 1.00 0.00 C ATOM 1576 CG2 VAL A 104 1.582 -6.449 1.677 1.00 0.00 C ATOM 0 H VAL A 104 -0.361 -7.925 0.530 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.173 -7.601 3.382 1.00 0.00 H new ATOM 0 HB VAL A 104 0.785 -6.191 3.639 1.00 0.00 H new ATOM 0 HG11 VAL A 104 2.467 -7.998 3.735 1.00 0.00 H new ATOM 0 HG12 VAL A 104 0.885 -8.524 4.359 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.411 -9.024 2.734 1.00 0.00 H new ATOM 0 HG21 VAL A 104 2.613 -6.265 1.981 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.566 -7.192 0.879 1.00 0.00 H new ATOM 0 HG23 VAL A 104 1.139 -5.520 1.317 1.00 0.00 H new ATOM 1586 N GLY A 105 -1.484 -5.012 2.934 1.00 0.00 N ATOM 1587 CA GLY A 105 -2.159 -3.760 2.640 1.00 0.00 C ATOM 1588 C GLY A 105 -1.148 -2.642 2.374 1.00 0.00 C ATOM 1589 O GLY A 105 -0.052 -2.646 2.932 1.00 0.00 O ATOM 0 H GLY A 105 -1.084 -5.071 3.871 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -2.805 -3.886 1.771 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -2.801 -3.483 3.476 1.00 0.00 H new ATOM 1593 N ALA A 106 -1.553 -1.712 1.521 1.00 0.00 N ATOM 1594 CA ALA A 106 -0.697 -0.591 1.174 1.00 0.00 C ATOM 1595 C ALA A 106 0.005 -0.082 2.435 1.00 0.00 C ATOM 1596 O ALA A 106 1.133 0.406 2.368 1.00 0.00 O ATOM 1597 CB ALA A 106 -1.529 0.496 0.492 1.00 0.00 C ATOM 0 H ALA A 106 -2.463 -1.712 1.060 1.00 0.00 H new ATOM 0 HA ALA A 106 0.074 -0.901 0.469 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -0.886 1.337 0.232 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -1.983 0.093 -0.413 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -2.312 0.834 1.171 1.00 0.00 H new ATOM 1603 N LYS A 107 -0.691 -0.212 3.555 1.00 0.00 N ATOM 1604 CA LYS A 107 -0.148 0.228 4.829 1.00 0.00 C ATOM 1605 C LYS A 107 1.327 -0.168 4.915 1.00 0.00 C ATOM 1606 O LYS A 107 2.171 0.646 5.286 1.00 0.00 O ATOM 1607 CB LYS A 107 -0.997 -0.305 5.985 1.00 0.00 C ATOM 1608 CG LYS A 107 -0.218 -0.261 7.302 1.00 0.00 C ATOM 1609 CD LYS A 107 -0.076 1.176 7.807 1.00 0.00 C ATOM 1610 CE LYS A 107 -1.031 1.444 8.972 1.00 0.00 C ATOM 1611 NZ LYS A 107 -2.168 2.281 8.528 1.00 0.00 N ATOM 0 H LYS A 107 -1.626 -0.616 3.607 1.00 0.00 H new ATOM 0 HA LYS A 107 -0.191 1.314 4.907 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -1.907 0.288 6.076 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -1.304 -1.329 5.774 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -0.730 -0.865 8.052 1.00 0.00 H new ATOM 0 HG3 LYS A 107 0.770 -0.699 7.159 1.00 0.00 H new ATOM 0 HD2 LYS A 107 0.951 1.354 8.126 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -0.283 1.873 6.995 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -1.401 0.500 9.371 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -0.497 1.944 9.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -2.558 2.797 9.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -1.840 2.960 7.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -2.906 1.674 8.117 1.00 0.00 H new ATOM 1625 N TRP A 108 1.592 -1.418 4.564 1.00 0.00 N ATOM 1626 CA TRP A 108 2.951 -1.932 4.597 1.00 0.00 C ATOM 1627 C TRP A 108 3.813 -1.048 3.693 1.00 0.00 C ATOM 1628 O TRP A 108 4.734 -0.382 4.164 1.00 0.00 O ATOM 1629 CB TRP A 108 2.988 -3.409 4.200 1.00 0.00 C ATOM 1630 CG TRP A 108 4.387 -3.926 3.856 1.00 0.00 C ATOM 1631 CD1 TRP A 108 5.318 -4.405 4.693 1.00 0.00 C ATOM 1632 CD2 TRP A 108 4.978 -3.996 2.542 1.00 0.00 C ATOM 1633 NE1 TRP A 108 6.462 -4.778 4.016 1.00 0.00 N ATOM 1634 CE2 TRP A 108 6.248 -4.521 2.667 1.00 0.00 C ATOM 1635 CE3 TRP A 108 4.457 -3.629 1.289 1.00 0.00 C ATOM 1636 CZ2 TRP A 108 7.104 -4.726 1.577 1.00 0.00 C ATOM 1637 CZ3 TRP A 108 5.324 -3.840 0.210 1.00 0.00 C ATOM 1638 CH2 TRP A 108 6.606 -4.367 0.319 1.00 0.00 C ATOM 0 H TRP A 108 0.889 -2.090 4.255 1.00 0.00 H new ATOM 0 HA TRP A 108 3.354 -1.892 5.609 1.00 0.00 H new ATOM 0 HB2 TRP A 108 2.583 -4.005 5.018 1.00 0.00 H new ATOM 0 HB3 TRP A 108 2.334 -3.560 3.341 1.00 0.00 H new ATOM 0 HD1 TRP A 108 5.189 -4.489 5.762 1.00 0.00 H new ATOM 0 HE1 TRP A 108 7.308 -5.170 4.430 1.00 0.00 H new ATOM 0 HE3 TRP A 108 3.466 -3.217 1.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 8.094 -5.139 1.701 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 4.972 -3.575 -0.776 1.00 0.00 H new ATOM 0 HH2 TRP A 108 7.215 -4.499 -0.563 1.00 0.00 H new ATOM 1649 N LEU A 109 3.483 -1.070 2.410 1.00 0.00 N ATOM 1650 CA LEU A 109 4.215 -0.278 1.435 1.00 0.00 C ATOM 1651 C LEU A 109 4.548 1.087 2.040 1.00 0.00 C ATOM 1652 O LEU A 109 5.708 1.497 2.056 1.00 0.00 O ATOM 1653 CB LEU A 109 3.438 -0.196 0.120 1.00 0.00 C ATOM 1654 CG LEU A 109 4.167 -0.710 -1.123 1.00 0.00 C ATOM 1655 CD1 LEU A 109 3.545 -0.139 -2.399 1.00 0.00 C ATOM 1656 CD2 LEU A 109 5.667 -0.421 -1.038 1.00 0.00 C ATOM 0 H LEU A 109 2.719 -1.624 2.023 1.00 0.00 H new ATOM 0 HA LEU A 109 5.163 -0.757 1.189 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.512 -0.759 0.233 1.00 0.00 H new ATOM 0 HB3 LEU A 109 3.160 0.844 -0.050 1.00 0.00 H new ATOM 0 HG LEU A 109 4.050 -1.793 -1.164 1.00 0.00 H new ATOM 0 HD11 LEU A 109 4.082 -0.520 -3.268 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.499 -0.438 -2.459 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.611 0.949 -2.381 1.00 0.00 H new ATOM 0 HD21 LEU A 109 6.161 -0.797 -1.934 1.00 0.00 H new ATOM 0 HD22 LEU A 109 5.826 0.654 -0.959 1.00 0.00 H new ATOM 0 HD23 LEU A 109 6.083 -0.915 -0.160 1.00 0.00 H new ATOM 1668 N LEU A 110 3.510 1.754 2.522 1.00 0.00 N ATOM 1669 CA LEU A 110 3.677 3.065 3.126 1.00 0.00 C ATOM 1670 C LEU A 110 4.820 3.011 4.142 1.00 0.00 C ATOM 1671 O LEU A 110 5.843 3.672 3.967 1.00 0.00 O ATOM 1672 CB LEU A 110 2.354 3.557 3.715 1.00 0.00 C ATOM 1673 CG LEU A 110 1.166 3.601 2.751 1.00 0.00 C ATOM 1674 CD1 LEU A 110 -0.025 4.325 3.382 1.00 0.00 C ATOM 1675 CD2 LEU A 110 1.570 4.220 1.412 1.00 0.00 C ATOM 0 H LEU A 110 2.550 1.411 2.507 1.00 0.00 H new ATOM 0 HA LEU A 110 3.955 3.800 2.370 1.00 0.00 H new ATOM 0 HB2 LEU A 110 2.091 2.914 4.555 1.00 0.00 H new ATOM 0 HB3 LEU A 110 2.508 4.559 4.117 1.00 0.00 H new ATOM 0 HG LEU A 110 0.850 2.577 2.550 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -0.856 4.342 2.676 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -0.330 3.802 4.289 1.00 0.00 H new ATOM 0 HD13 LEU A 110 0.261 5.347 3.631 1.00 0.00 H new ATOM 0 HD21 LEU A 110 0.708 4.239 0.745 1.00 0.00 H new ATOM 0 HD22 LEU A 110 1.926 5.237 1.574 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.364 3.625 0.961 1.00 0.00 H new ATOM 1687 N GLU A 111 4.608 2.218 5.182 1.00 0.00 N ATOM 1688 CA GLU A 111 5.607 2.069 6.227 1.00 0.00 C ATOM 1689 C GLU A 111 6.985 1.819 5.610 1.00 0.00 C ATOM 1690 O GLU A 111 7.988 2.349 6.087 1.00 0.00 O ATOM 1691 CB GLU A 111 5.227 0.947 7.194 1.00 0.00 C ATOM 1692 CG GLU A 111 3.856 1.205 7.822 1.00 0.00 C ATOM 1693 CD GLU A 111 3.996 1.647 9.280 1.00 0.00 C ATOM 1694 OE1 GLU A 111 4.756 0.972 10.007 1.00 0.00 O ATOM 1695 OE2 GLU A 111 3.339 2.650 9.634 1.00 0.00 O ATOM 0 H GLU A 111 3.758 1.671 5.324 1.00 0.00 H new ATOM 0 HA GLU A 111 5.648 2.996 6.799 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.215 -0.006 6.664 1.00 0.00 H new ATOM 0 HB3 GLU A 111 5.981 0.867 7.978 1.00 0.00 H new ATOM 0 HG2 GLU A 111 3.331 1.973 7.254 1.00 0.00 H new ATOM 0 HG3 GLU A 111 3.251 0.300 7.769 1.00 0.00 H new ATOM 1702 N CYS A 112 6.991 1.012 4.560 1.00 0.00 N ATOM 1703 CA CYS A 112 8.229 0.685 3.874 1.00 0.00 C ATOM 1704 C CYS A 112 8.876 1.989 3.403 1.00 0.00 C ATOM 1705 O CYS A 112 10.066 2.211 3.624 1.00 0.00 O ATOM 1706 CB CYS A 112 7.995 -0.286 2.715 1.00 0.00 C ATOM 1707 SG CYS A 112 7.017 -1.722 3.290 1.00 0.00 S ATOM 0 H CYS A 112 6.158 0.574 4.167 1.00 0.00 H new ATOM 0 HA CYS A 112 8.903 0.173 4.560 1.00 0.00 H new ATOM 0 HB2 CYS A 112 7.470 0.221 1.905 1.00 0.00 H new ATOM 0 HB3 CYS A 112 8.951 -0.623 2.314 1.00 0.00 H new ATOM 0 HG CYS A 112 7.178 -2.714 2.466 1.00 0.00 H new ATOM 1713 N PHE A 113 8.065 2.819 2.764 1.00 0.00 N ATOM 1714 CA PHE A 113 8.543 4.095 2.260 1.00 0.00 C ATOM 1715 C PHE A 113 8.778 5.082 3.405 1.00 0.00 C ATOM 1716 O PHE A 113 9.690 5.905 3.343 1.00 0.00 O ATOM 1717 CB PHE A 113 7.454 4.649 1.340 1.00 0.00 C ATOM 1718 CG PHE A 113 7.489 4.078 -0.079 1.00 0.00 C ATOM 1719 CD1 PHE A 113 8.413 4.527 -0.971 1.00 0.00 C ATOM 1720 CD2 PHE A 113 6.596 3.121 -0.449 1.00 0.00 C ATOM 1721 CE1 PHE A 113 8.445 3.997 -2.288 1.00 0.00 C ATOM 1722 CE2 PHE A 113 6.629 2.590 -1.766 1.00 0.00 C ATOM 1723 CZ PHE A 113 7.552 3.039 -2.657 1.00 0.00 C ATOM 0 H PHE A 113 7.079 2.632 2.584 1.00 0.00 H new ATOM 0 HA PHE A 113 9.488 3.958 1.734 1.00 0.00 H new ATOM 0 HB2 PHE A 113 6.479 4.440 1.781 1.00 0.00 H new ATOM 0 HB3 PHE A 113 7.554 5.733 1.287 1.00 0.00 H new ATOM 0 HD1 PHE A 113 9.122 5.287 -0.677 1.00 0.00 H new ATOM 0 HD2 PHE A 113 5.862 2.765 0.259 1.00 0.00 H new ATOM 0 HE1 PHE A 113 9.178 4.354 -2.996 1.00 0.00 H new ATOM 0 HE2 PHE A 113 5.921 1.829 -2.059 1.00 0.00 H new ATOM 0 HZ PHE A 113 7.577 2.635 -3.658 1.00 0.00 H new ATOM 1733 N SER A 114 7.939 4.968 4.424 1.00 0.00 N ATOM 1734 CA SER A 114 8.043 5.841 5.581 1.00 0.00 C ATOM 1735 C SER A 114 9.316 5.518 6.367 1.00 0.00 C ATOM 1736 O SER A 114 9.982 6.420 6.874 1.00 0.00 O ATOM 1737 CB SER A 114 6.815 5.709 6.483 1.00 0.00 C ATOM 1738 OG SER A 114 6.827 6.660 7.544 1.00 0.00 O ATOM 0 H SER A 114 7.184 4.284 4.472 1.00 0.00 H new ATOM 0 HA SER A 114 8.092 6.871 5.229 1.00 0.00 H new ATOM 0 HB2 SER A 114 5.912 5.842 5.887 1.00 0.00 H new ATOM 0 HB3 SER A 114 6.777 4.702 6.899 1.00 0.00 H new ATOM 0 HG SER A 114 6.026 6.544 8.096 1.00 0.00 H new ATOM 1744 N LYS A 115 9.615 4.230 6.442 1.00 0.00 N ATOM 1745 CA LYS A 115 10.796 3.777 7.157 1.00 0.00 C ATOM 1746 C LYS A 115 12.019 3.905 6.247 1.00 0.00 C ATOM 1747 O LYS A 115 13.144 4.041 6.727 1.00 0.00 O ATOM 1748 CB LYS A 115 10.583 2.364 7.705 1.00 0.00 C ATOM 1749 CG LYS A 115 9.215 2.239 8.379 1.00 0.00 C ATOM 1750 CD LYS A 115 9.359 2.165 9.901 1.00 0.00 C ATOM 1751 CE LYS A 115 8.693 0.903 10.454 1.00 0.00 C ATOM 1752 NZ LYS A 115 8.702 0.919 11.934 1.00 0.00 N ATOM 0 H LYS A 115 9.060 3.486 6.020 1.00 0.00 H new ATOM 0 HA LYS A 115 10.978 4.407 8.027 1.00 0.00 H new ATOM 0 HB2 LYS A 115 10.661 1.640 6.894 1.00 0.00 H new ATOM 0 HB3 LYS A 115 11.369 2.125 8.422 1.00 0.00 H new ATOM 0 HG2 LYS A 115 8.593 3.093 8.110 1.00 0.00 H new ATOM 0 HG3 LYS A 115 8.706 1.347 8.014 1.00 0.00 H new ATOM 0 HD2 LYS A 115 10.415 2.171 10.171 1.00 0.00 H new ATOM 0 HD3 LYS A 115 8.909 3.047 10.356 1.00 0.00 H new ATOM 0 HE2 LYS A 115 7.667 0.837 10.091 1.00 0.00 H new ATOM 0 HE3 LYS A 115 9.217 0.019 10.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 8.246 0.056 12.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 9.684 0.960 12.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 8.182 1.753 12.275 1.00 0.00 H new ATOM 1766 N GLY A 116 11.758 3.858 4.949 1.00 0.00 N ATOM 1767 CA GLY A 116 12.823 3.968 3.967 1.00 0.00 C ATOM 1768 C GLY A 116 13.279 2.585 3.496 1.00 0.00 C ATOM 1769 O GLY A 116 13.993 2.468 2.501 1.00 0.00 O ATOM 0 H GLY A 116 10.824 3.745 4.555 1.00 0.00 H new ATOM 0 HA2 GLY A 116 12.477 4.551 3.114 1.00 0.00 H new ATOM 0 HA3 GLY A 116 13.667 4.506 4.399 1.00 0.00 H new ATOM 1773 N TYR A 117 12.848 1.572 4.234 1.00 0.00 N ATOM 1774 CA TYR A 117 13.203 0.202 3.905 1.00 0.00 C ATOM 1775 C TYR A 117 12.004 -0.732 4.079 1.00 0.00 C ATOM 1776 O TYR A 117 11.117 -0.465 4.888 1.00 0.00 O ATOM 1777 CB TYR A 117 14.296 -0.200 4.896 1.00 0.00 C ATOM 1778 CG TYR A 117 13.763 -0.751 6.221 1.00 0.00 C ATOM 1779 CD1 TYR A 117 13.206 0.105 7.149 1.00 0.00 C ATOM 1780 CD2 TYR A 117 13.839 -2.103 6.486 1.00 0.00 C ATOM 1781 CE1 TYR A 117 12.704 -0.413 8.396 1.00 0.00 C ATOM 1782 CE2 TYR A 117 13.337 -2.621 7.733 1.00 0.00 C ATOM 1783 CZ TYR A 117 12.794 -1.751 8.626 1.00 0.00 C ATOM 1784 OH TYR A 117 12.320 -2.240 9.803 1.00 0.00 O ATOM 0 H TYR A 117 12.256 1.673 5.059 1.00 0.00 H new ATOM 0 HA TYR A 117 13.532 0.129 2.868 1.00 0.00 H new ATOM 0 HB2 TYR A 117 14.934 -0.952 4.432 1.00 0.00 H new ATOM 0 HB3 TYR A 117 14.923 0.668 5.101 1.00 0.00 H new ATOM 0 HD1 TYR A 117 13.146 1.163 6.941 1.00 0.00 H new ATOM 0 HD2 TYR A 117 14.275 -2.772 5.759 1.00 0.00 H new ATOM 0 HE1 TYR A 117 12.266 0.246 9.131 1.00 0.00 H new ATOM 0 HE2 TYR A 117 13.391 -3.677 7.954 1.00 0.00 H new ATOM 0 HH TYR A 117 12.449 -3.211 9.830 1.00 0.00 H new ATOM 1794 N MET A 118 12.016 -1.808 3.306 1.00 0.00 N ATOM 1795 CA MET A 118 10.940 -2.783 3.365 1.00 0.00 C ATOM 1796 C MET A 118 10.849 -3.416 4.755 1.00 0.00 C ATOM 1797 O MET A 118 11.870 -3.696 5.382 1.00 0.00 O ATOM 1798 CB MET A 118 11.183 -3.876 2.322 1.00 0.00 C ATOM 1799 CG MET A 118 11.009 -3.328 0.904 1.00 0.00 C ATOM 1800 SD MET A 118 11.517 -4.553 -0.291 1.00 0.00 S ATOM 1801 CE MET A 118 10.042 -5.557 -0.350 1.00 0.00 C ATOM 0 H MET A 118 12.753 -2.026 2.636 1.00 0.00 H new ATOM 0 HA MET A 118 10.000 -2.272 3.157 1.00 0.00 H new ATOM 0 HB2 MET A 118 12.189 -4.279 2.439 1.00 0.00 H new ATOM 0 HB3 MET A 118 10.489 -4.700 2.485 1.00 0.00 H new ATOM 0 HG2 MET A 118 9.967 -3.055 0.736 1.00 0.00 H new ATOM 0 HG3 MET A 118 11.600 -2.421 0.781 1.00 0.00 H new ATOM 0 HE1 MET A 118 10.229 -6.443 -0.957 1.00 0.00 H new ATOM 0 HE2 MET A 118 9.768 -5.860 0.660 1.00 0.00 H new ATOM 0 HE3 MET A 118 9.227 -4.981 -0.790 1.00 0.00 H new ATOM 1811 N LEU A 119 9.617 -3.623 5.197 1.00 0.00 N ATOM 1812 CA LEU A 119 9.380 -4.218 6.501 1.00 0.00 C ATOM 1813 C LEU A 119 8.681 -5.567 6.322 1.00 0.00 C ATOM 1814 O LEU A 119 8.367 -5.964 5.201 1.00 0.00 O ATOM 1815 CB LEU A 119 8.617 -3.245 7.402 1.00 0.00 C ATOM 1816 CG LEU A 119 8.877 -1.758 7.155 1.00 0.00 C ATOM 1817 CD1 LEU A 119 7.681 -0.912 7.597 1.00 0.00 C ATOM 1818 CD2 LEU A 119 10.176 -1.309 7.826 1.00 0.00 C ATOM 0 H LEU A 119 8.772 -3.389 4.675 1.00 0.00 H new ATOM 0 HA LEU A 119 10.325 -4.413 7.008 1.00 0.00 H new ATOM 0 HB2 LEU A 119 7.550 -3.432 7.283 1.00 0.00 H new ATOM 0 HB3 LEU A 119 8.866 -3.470 8.439 1.00 0.00 H new ATOM 0 HG LEU A 119 9.000 -1.606 6.083 1.00 0.00 H new ATOM 0 HD11 LEU A 119 7.892 0.141 7.411 1.00 0.00 H new ATOM 0 HD12 LEU A 119 6.796 -1.210 7.034 1.00 0.00 H new ATOM 0 HD13 LEU A 119 7.502 -1.063 8.661 1.00 0.00 H new ATOM 0 HD21 LEU A 119 10.337 -0.248 7.635 1.00 0.00 H new ATOM 0 HD22 LEU A 119 10.107 -1.477 8.901 1.00 0.00 H new ATOM 0 HD23 LEU A 119 11.011 -1.881 7.422 1.00 0.00 H new ATOM 1830 N SER A 120 8.457 -6.235 7.444 1.00 0.00 N ATOM 1831 CA SER A 120 7.801 -7.532 7.425 1.00 0.00 C ATOM 1832 C SER A 120 6.368 -7.385 6.910 1.00 0.00 C ATOM 1833 O SER A 120 5.713 -6.376 7.165 1.00 0.00 O ATOM 1834 CB SER A 120 7.803 -8.170 8.815 1.00 0.00 C ATOM 1835 OG SER A 120 9.122 -8.319 9.333 1.00 0.00 O ATOM 0 H SER A 120 8.718 -5.903 8.372 1.00 0.00 H new ATOM 0 HA SER A 120 8.356 -8.187 6.754 1.00 0.00 H new ATOM 0 HB2 SER A 120 7.213 -7.556 9.496 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.320 -9.146 8.766 1.00 0.00 H new ATOM 0 HG SER A 120 9.080 -8.728 10.222 1.00 0.00 H new ATOM 1841 N GLU A 121 5.923 -8.408 6.194 1.00 0.00 N ATOM 1842 CA GLU A 121 4.579 -8.405 5.641 1.00 0.00 C ATOM 1843 C GLU A 121 3.620 -9.146 6.575 1.00 0.00 C ATOM 1844 O GLU A 121 2.405 -9.101 6.386 1.00 0.00 O ATOM 1845 CB GLU A 121 4.562 -9.018 4.239 1.00 0.00 C ATOM 1846 CG GLU A 121 5.020 -8.002 3.191 1.00 0.00 C ATOM 1847 CD GLU A 121 6.482 -8.235 2.804 1.00 0.00 C ATOM 1848 OE1 GLU A 121 7.352 -7.864 3.621 1.00 0.00 O ATOM 1849 OE2 GLU A 121 6.696 -8.780 1.699 1.00 0.00 O ATOM 0 H GLU A 121 6.469 -9.244 5.984 1.00 0.00 H new ATOM 0 HA GLU A 121 4.245 -7.371 5.554 1.00 0.00 H new ATOM 0 HB2 GLU A 121 5.213 -9.892 4.212 1.00 0.00 H new ATOM 0 HB3 GLU A 121 3.556 -9.363 4.001 1.00 0.00 H new ATOM 0 HG2 GLU A 121 4.389 -8.078 2.305 1.00 0.00 H new ATOM 0 HG3 GLU A 121 4.900 -6.992 3.582 1.00 0.00 H new ATOM 1856 N GLU A 122 4.201 -9.811 7.563 1.00 0.00 N ATOM 1857 CA GLU A 122 3.413 -10.560 8.526 1.00 0.00 C ATOM 1858 C GLU A 122 2.546 -9.610 9.356 1.00 0.00 C ATOM 1859 O GLU A 122 1.378 -9.896 9.614 1.00 0.00 O ATOM 1860 CB GLU A 122 4.311 -11.410 9.427 1.00 0.00 C ATOM 1861 CG GLU A 122 4.742 -12.694 8.715 1.00 0.00 C ATOM 1862 CD GLU A 122 5.305 -13.710 9.711 1.00 0.00 C ATOM 1863 OE1 GLU A 122 6.150 -13.292 10.532 1.00 0.00 O ATOM 1864 OE2 GLU A 122 4.877 -14.882 9.630 1.00 0.00 O ATOM 0 H GLU A 122 5.209 -9.846 7.717 1.00 0.00 H new ATOM 0 HA GLU A 122 2.756 -11.237 7.980 1.00 0.00 H new ATOM 0 HB2 GLU A 122 5.192 -10.836 9.715 1.00 0.00 H new ATOM 0 HB3 GLU A 122 3.779 -11.660 10.345 1.00 0.00 H new ATOM 0 HG2 GLU A 122 3.890 -13.127 8.191 1.00 0.00 H new ATOM 0 HG3 GLU A 122 5.495 -12.461 7.962 1.00 0.00 H new ATOM 1871 N PRO A 123 3.168 -8.471 9.762 1.00 0.00 N ATOM 1872 CA PRO A 123 2.466 -7.478 10.557 1.00 0.00 C ATOM 1873 C PRO A 123 1.487 -6.677 9.696 1.00 0.00 C ATOM 1874 O PRO A 123 0.840 -5.751 10.182 1.00 0.00 O ATOM 1875 CB PRO A 123 3.561 -6.617 11.167 1.00 0.00 C ATOM 1876 CG PRO A 123 4.804 -6.867 10.328 1.00 0.00 C ATOM 1877 CD PRO A 123 4.551 -8.100 9.476 1.00 0.00 C ATOM 0 HA PRO A 123 1.847 -7.924 11.335 1.00 0.00 H new ATOM 0 HB2 PRO A 123 3.284 -5.563 11.150 1.00 0.00 H new ATOM 0 HB3 PRO A 123 3.733 -6.885 12.210 1.00 0.00 H new ATOM 0 HG2 PRO A 123 5.018 -6.004 9.697 1.00 0.00 H new ATOM 0 HG3 PRO A 123 5.673 -7.017 10.969 1.00 0.00 H new ATOM 0 HD2 PRO A 123 4.692 -7.885 8.417 1.00 0.00 H new ATOM 0 HD3 PRO A 123 5.238 -8.906 9.732 1.00 0.00 H new ATOM 1885 N TYR A 124 1.410 -7.064 8.430 1.00 0.00 N ATOM 1886 CA TYR A 124 0.521 -6.394 7.497 1.00 0.00 C ATOM 1887 C TYR A 124 -0.108 -7.394 6.524 1.00 0.00 C ATOM 1888 O TYR A 124 -0.115 -7.169 5.315 1.00 0.00 O ATOM 1889 CB TYR A 124 1.396 -5.416 6.709 1.00 0.00 C ATOM 1890 CG TYR A 124 2.051 -4.335 7.571 1.00 0.00 C ATOM 1891 CD1 TYR A 124 1.357 -3.182 7.878 1.00 0.00 C ATOM 1892 CD2 TYR A 124 3.337 -4.513 8.041 1.00 0.00 C ATOM 1893 CE1 TYR A 124 1.975 -2.165 8.689 1.00 0.00 C ATOM 1894 CE2 TYR A 124 3.954 -3.495 8.852 1.00 0.00 C ATOM 1895 CZ TYR A 124 3.243 -2.372 9.136 1.00 0.00 C ATOM 1896 OH TYR A 124 3.826 -1.411 9.902 1.00 0.00 O ATOM 0 H TYR A 124 1.949 -7.832 8.030 1.00 0.00 H new ATOM 0 HA TYR A 124 -0.289 -5.895 8.030 1.00 0.00 H new ATOM 0 HB2 TYR A 124 2.175 -5.976 6.193 1.00 0.00 H new ATOM 0 HB3 TYR A 124 0.787 -4.936 5.943 1.00 0.00 H new ATOM 0 HD1 TYR A 124 0.351 -3.043 7.510 1.00 0.00 H new ATOM 0 HD2 TYR A 124 3.880 -5.415 7.801 1.00 0.00 H new ATOM 0 HE1 TYR A 124 1.444 -1.258 8.937 1.00 0.00 H new ATOM 0 HE2 TYR A 124 4.959 -3.621 9.226 1.00 0.00 H new ATOM 0 HH TYR A 124 4.313 -0.785 9.327 1.00 0.00 H new ATOM 1906 N ILE A 125 -0.620 -8.478 7.089 1.00 0.00 N ATOM 1907 CA ILE A 125 -1.249 -9.513 6.287 1.00 0.00 C ATOM 1908 C ILE A 125 -2.743 -9.213 6.156 1.00 0.00 C ATOM 1909 O ILE A 125 -3.369 -8.734 7.101 1.00 0.00 O ATOM 1910 CB ILE A 125 -0.948 -10.897 6.867 1.00 0.00 C ATOM 1911 CG1 ILE A 125 0.560 -11.139 6.953 1.00 0.00 C ATOM 1912 CG2 ILE A 125 -1.660 -11.992 6.070 1.00 0.00 C ATOM 1913 CD1 ILE A 125 1.176 -11.263 5.558 1.00 0.00 C ATOM 0 H ILE A 125 -0.612 -8.662 8.092 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.835 -9.518 5.279 1.00 0.00 H new ATOM 0 HB ILE A 125 -1.338 -10.934 7.884 1.00 0.00 H new ATOM 0 HG12 ILE A 125 1.033 -10.318 7.492 1.00 0.00 H new ATOM 0 HG13 ILE A 125 0.754 -12.048 7.522 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -1.429 -12.965 6.503 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -2.737 -11.825 6.104 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -1.322 -11.966 5.034 1.00 0.00 H new ATOM 0 HD11 ILE A 125 2.249 -11.435 5.648 1.00 0.00 H new ATOM 0 HD12 ILE A 125 0.718 -12.100 5.031 1.00 0.00 H new ATOM 0 HD13 ILE A 125 1.001 -10.343 5.000 1.00 0.00 H new ATOM 1925 N HIS A 126 -3.272 -9.507 4.977 1.00 0.00 N ATOM 1926 CA HIS A 126 -4.681 -9.274 4.711 1.00 0.00 C ATOM 1927 C HIS A 126 -5.431 -10.609 4.710 1.00 0.00 C ATOM 1928 O HIS A 126 -5.290 -11.403 3.782 1.00 0.00 O ATOM 1929 CB HIS A 126 -4.866 -8.491 3.409 1.00 0.00 C ATOM 1930 CG HIS A 126 -6.232 -7.865 3.258 1.00 0.00 C ATOM 1931 ND1 HIS A 126 -6.679 -6.837 4.070 1.00 0.00 N ATOM 1932 CD2 HIS A 126 -7.242 -8.131 2.381 1.00 0.00 C ATOM 1933 CE1 HIS A 126 -7.905 -6.508 3.690 1.00 0.00 C ATOM 1934 NE2 HIS A 126 -8.252 -7.311 2.644 1.00 0.00 N ATOM 0 H HIS A 126 -2.750 -9.904 4.196 1.00 0.00 H new ATOM 0 HA HIS A 126 -5.107 -8.657 5.503 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -4.111 -7.707 3.358 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -4.689 -9.160 2.567 1.00 0.00 H new ATOM 0 HD1 HIS A 126 -6.154 -6.406 4.831 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -7.223 -8.881 1.604 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -8.521 -5.739 4.131 1.00 0.00 H new ATOM 1942 N SER A 127 -6.210 -10.813 5.762 1.00 0.00 N ATOM 1943 CA SER A 127 -6.982 -12.037 5.895 1.00 0.00 C ATOM 1944 C SER A 127 -8.477 -11.727 5.789 1.00 0.00 C ATOM 1945 O SER A 127 -9.117 -12.076 4.798 1.00 0.00 O ATOM 1946 CB SER A 127 -6.678 -12.738 7.221 1.00 0.00 C ATOM 1947 OG SER A 127 -7.148 -14.083 7.233 1.00 0.00 O ATOM 0 H SER A 127 -6.323 -10.152 6.530 1.00 0.00 H new ATOM 0 HA SER A 127 -6.699 -12.710 5.086 1.00 0.00 H new ATOM 0 HB2 SER A 127 -5.603 -12.728 7.398 1.00 0.00 H new ATOM 0 HB3 SER A 127 -7.141 -12.185 8.038 1.00 0.00 H new ATOM 0 HG SER A 127 -6.934 -14.497 8.095 1.00 0.00 H new