USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 834 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 THR OG1 : rot -75:sc= -0.503! USER MOD Set 1.2: A 80 HIS : no HE2:sc= -11.1! C(o=-12!,f=-20!) USER MOD Set 1.3: A 102 HIS :FLIP no HE2:sc= -0.212 F(o=-15,f=-12) USER MOD Set 2.1: A 22 THR OG1 : rot 84:sc= 0.273 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.317 K(o=0.59,f=-0.046) USER MOD Single : A 28 ASN : amide:sc= -0.0265 X(o=-0.027,f=-0.2) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 CYS SG : rot 30:sc= 1.19 USER MOD Single : A 47 TYR OH : rot 170:sc= 1.08 USER MOD Single : A 49 CYS SG : rot 180:sc= -0.417 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 158:sc= 0.805 (180deg=0.376) USER MOD Single : A 64 ASN : amide:sc= -0.119 K(o=-0.12,f=-0.66) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -1.02 K(o=-1,f=-7.6!) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 ASN : amide:sc= -5.38! C(o=-5.4!,f=-8.5!) 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 X(o=0,f=0) USER MOD Single : A 95 ASN : amide:sc= -0.0521 X(o=-0.052,f=-0.36) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HD1:sc= 0.284 K(o=0.28,f=-4.7!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 CYS SG : rot -157:sc= -6.84! 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= -0.095 USER MOD Single : A 118 MET CE :methyl -119:sc= 0 (180deg=-0.0484) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot -23:sc= 0.44 USER MOD Single : A 126 HIS :FLIP no HD1:sc= -8.46! C(o=-9!,f=-8.5!) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 258 N PRO A 21 0.934 8.674 6.983 1.00 0.00 N ATOM 259 CA PRO A 21 0.929 7.840 5.793 1.00 0.00 C ATOM 260 C PRO A 21 0.182 6.529 6.046 1.00 0.00 C ATOM 261 O PRO A 21 0.789 5.459 6.066 1.00 0.00 O ATOM 262 CB PRO A 21 2.396 7.632 5.452 1.00 0.00 C ATOM 263 CG PRO A 21 3.169 7.965 6.717 1.00 0.00 C ATOM 264 CD PRO A 21 2.225 8.688 7.664 1.00 0.00 C ATOM 0 HA PRO A 21 0.402 8.301 4.958 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.582 6.605 5.139 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.700 8.276 4.627 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.552 7.056 7.180 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.030 8.592 6.484 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.169 8.184 8.629 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.560 9.707 7.856 1.00 0.00 H new ATOM 272 N THR A 22 -1.123 6.655 6.235 1.00 0.00 N ATOM 273 CA THR A 22 -1.959 5.493 6.486 1.00 0.00 C ATOM 274 C THR A 22 -2.975 5.313 5.356 1.00 0.00 C ATOM 275 O THR A 22 -3.083 6.161 4.472 1.00 0.00 O ATOM 276 CB THR A 22 -2.605 5.664 7.862 1.00 0.00 C ATOM 277 OG1 THR A 22 -3.314 6.896 7.762 1.00 0.00 O ATOM 278 CG2 THR A 22 -1.575 5.916 8.965 1.00 0.00 C ATOM 0 H THR A 22 -1.622 7.544 6.219 1.00 0.00 H new ATOM 0 HA THR A 22 -1.369 4.577 6.499 1.00 0.00 H new ATOM 0 HB THR A 22 -3.185 4.774 8.103 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.190 6.737 7.353 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.086 6.030 9.921 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.887 5.072 9.020 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.017 6.825 8.741 1.00 0.00 H new ATOM 286 N LEU A 23 -3.694 4.202 5.422 1.00 0.00 N ATOM 287 CA LEU A 23 -4.697 3.899 4.415 1.00 0.00 C ATOM 288 C LEU A 23 -5.886 4.847 4.586 1.00 0.00 C ATOM 289 O LEU A 23 -6.288 5.520 3.638 1.00 0.00 O ATOM 290 CB LEU A 23 -5.078 2.418 4.468 1.00 0.00 C ATOM 291 CG LEU A 23 -4.920 1.638 3.161 1.00 0.00 C ATOM 292 CD1 LEU A 23 -3.914 0.496 3.323 1.00 0.00 C ATOM 293 CD2 LEU A 23 -6.274 1.141 2.652 1.00 0.00 C ATOM 0 H LEU A 23 -3.602 3.501 6.157 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.297 4.066 3.415 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.470 1.934 5.233 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.116 2.342 4.790 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.521 2.314 2.405 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.820 -0.043 2.380 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.944 0.903 3.606 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.261 -0.187 4.098 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.133 0.590 1.722 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.725 0.486 3.397 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.930 1.993 2.473 1.00 0.00 H new ATOM 305 N GLU A 24 -6.415 4.869 5.800 1.00 0.00 N ATOM 306 CA GLU A 24 -7.550 5.723 6.106 1.00 0.00 C ATOM 307 C GLU A 24 -7.387 7.086 5.430 1.00 0.00 C ATOM 308 O GLU A 24 -8.373 7.726 5.070 1.00 0.00 O ATOM 309 CB GLU A 24 -7.726 5.879 7.618 1.00 0.00 C ATOM 310 CG GLU A 24 -8.470 4.680 8.210 1.00 0.00 C ATOM 311 CD GLU A 24 -8.894 4.957 9.654 1.00 0.00 C ATOM 312 OE1 GLU A 24 -9.856 5.736 9.824 1.00 0.00 O ATOM 313 OE2 GLU A 24 -8.246 4.383 10.556 1.00 0.00 O ATOM 0 H GLU A 24 -6.079 4.309 6.584 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.451 5.251 5.715 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.750 5.977 8.093 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.277 6.795 7.831 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.349 4.458 7.605 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.830 3.798 8.178 1.00 0.00 H new ATOM 320 N ASN A 25 -6.134 7.488 5.277 1.00 0.00 N ATOM 321 CA ASN A 25 -5.829 8.763 4.650 1.00 0.00 C ATOM 322 C ASN A 25 -4.796 8.547 3.542 1.00 0.00 C ATOM 323 O ASN A 25 -3.773 9.229 3.501 1.00 0.00 O ATOM 324 CB ASN A 25 -5.238 9.747 5.661 1.00 0.00 C ATOM 325 CG ASN A 25 -5.882 9.571 7.038 1.00 0.00 C ATOM 326 OD1 ASN A 25 -7.026 9.925 7.267 1.00 0.00 O ATOM 327 ND2 ASN A 25 -5.084 9.005 7.939 1.00 0.00 N ATOM 0 H ASN A 25 -5.318 6.954 5.576 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.756 9.172 4.249 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -4.162 9.594 5.737 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -5.391 10.768 5.312 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -5.420 8.844 8.888 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.136 8.732 7.681 1.00 0.00 H new ATOM 334 N LEU A 26 -5.100 7.596 2.671 1.00 0.00 N ATOM 335 CA LEU A 26 -4.210 7.282 1.565 1.00 0.00 C ATOM 336 C LEU A 26 -4.368 8.341 0.472 1.00 0.00 C ATOM 337 O LEU A 26 -3.397 8.708 -0.187 1.00 0.00 O ATOM 338 CB LEU A 26 -4.449 5.853 1.075 1.00 0.00 C ATOM 339 CG LEU A 26 -3.915 5.524 -0.320 1.00 0.00 C ATOM 340 CD1 LEU A 26 -2.418 5.825 -0.419 1.00 0.00 C ATOM 341 CD2 LEU A 26 -4.234 4.077 -0.703 1.00 0.00 C ATOM 0 H LEU A 26 -5.950 7.033 2.708 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.171 7.313 1.892 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.995 5.165 1.788 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.522 5.661 1.086 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.422 6.167 -1.039 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.064 5.582 -1.421 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.246 6.883 -0.219 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.877 5.225 0.313 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.843 3.870 -1.699 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.772 3.400 0.016 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.314 3.929 -0.699 1.00 0.00 H new ATOM 353 N GLU A 27 -5.600 8.803 0.314 1.00 0.00 N ATOM 354 CA GLU A 27 -5.898 9.813 -0.687 1.00 0.00 C ATOM 355 C GLU A 27 -5.375 11.178 -0.236 1.00 0.00 C ATOM 356 O GLU A 27 -5.268 12.103 -1.041 1.00 0.00 O ATOM 357 CB GLU A 27 -7.399 9.870 -0.979 1.00 0.00 C ATOM 358 CG GLU A 27 -7.919 8.507 -1.441 1.00 0.00 C ATOM 359 CD GLU A 27 -9.382 8.600 -1.880 1.00 0.00 C ATOM 360 OE1 GLU A 27 -9.887 9.742 -1.937 1.00 0.00 O ATOM 361 OE2 GLU A 27 -9.963 7.526 -2.147 1.00 0.00 O ATOM 0 H GLU A 27 -6.403 8.496 0.863 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.392 9.539 -1.613 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.936 10.184 -0.084 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.596 10.618 -1.747 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.310 8.142 -2.268 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -7.824 7.784 -0.631 1.00 0.00 H new ATOM 368 N ASN A 28 -5.063 11.262 1.049 1.00 0.00 N ATOM 369 CA ASN A 28 -4.553 12.499 1.616 1.00 0.00 C ATOM 370 C ASN A 28 -3.061 12.342 1.913 1.00 0.00 C ATOM 371 O ASN A 28 -2.385 13.315 2.246 1.00 0.00 O ATOM 372 CB ASN A 28 -5.264 12.836 2.928 1.00 0.00 C ATOM 373 CG ASN A 28 -6.553 13.619 2.669 1.00 0.00 C ATOM 374 OD1 ASN A 28 -6.571 14.624 1.978 1.00 0.00 O ATOM 375 ND2 ASN A 28 -7.627 13.102 3.259 1.00 0.00 N ATOM 0 H ASN A 28 -5.154 10.494 1.714 1.00 0.00 H new ATOM 0 HA ASN A 28 -4.727 13.298 0.895 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -5.495 11.917 3.467 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -4.601 13.421 3.565 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -8.536 13.550 3.146 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -7.541 12.257 3.824 1.00 0.00 H new ATOM 382 N LEU A 29 -2.590 11.111 1.782 1.00 0.00 N ATOM 383 CA LEU A 29 -1.190 10.814 2.033 1.00 0.00 C ATOM 384 C LEU A 29 -0.345 11.350 0.875 1.00 0.00 C ATOM 385 O LEU A 29 -0.625 11.063 -0.287 1.00 0.00 O ATOM 386 CB LEU A 29 -0.997 9.319 2.294 1.00 0.00 C ATOM 387 CG LEU A 29 0.272 8.694 1.711 1.00 0.00 C ATOM 388 CD1 LEU A 29 0.212 8.655 0.183 1.00 0.00 C ATOM 389 CD2 LEU A 29 1.521 9.418 2.218 1.00 0.00 C ATOM 0 H LEU A 29 -3.153 10.307 1.505 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.850 11.318 2.938 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.996 9.156 3.372 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.858 8.786 1.891 1.00 0.00 H new ATOM 0 HG LEU A 29 0.335 7.662 2.056 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.126 8.206 -0.206 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.646 8.062 -0.132 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.113 9.669 -0.203 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.409 8.955 1.789 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.479 10.466 1.922 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.565 9.350 3.305 1.00 0.00 H new ATOM 401 N ASP A 30 0.673 12.119 1.234 1.00 0.00 N ATOM 402 CA ASP A 30 1.561 12.698 0.240 1.00 0.00 C ATOM 403 C ASP A 30 2.708 11.725 -0.040 1.00 0.00 C ATOM 404 O ASP A 30 3.717 11.730 0.664 1.00 0.00 O ATOM 405 CB ASP A 30 2.165 14.011 0.740 1.00 0.00 C ATOM 406 CG ASP A 30 3.231 14.621 -0.173 1.00 0.00 C ATOM 407 OD1 ASP A 30 2.974 14.665 -1.395 1.00 0.00 O ATOM 408 OD2 ASP A 30 4.280 15.029 0.373 1.00 0.00 O ATOM 0 H ASP A 30 0.902 12.354 2.200 1.00 0.00 H new ATOM 0 HA ASP A 30 0.980 12.890 -0.662 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.362 14.736 0.871 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.604 13.841 1.723 1.00 0.00 H new ATOM 413 N VAL A 31 2.516 10.914 -1.070 1.00 0.00 N ATOM 414 CA VAL A 31 3.522 9.939 -1.452 1.00 0.00 C ATOM 415 C VAL A 31 4.873 10.639 -1.608 1.00 0.00 C ATOM 416 O VAL A 31 5.915 10.064 -1.297 1.00 0.00 O ATOM 417 CB VAL A 31 3.082 9.201 -2.719 1.00 0.00 C ATOM 418 CG1 VAL A 31 2.604 10.186 -3.788 1.00 0.00 C ATOM 419 CG2 VAL A 31 4.206 8.313 -3.255 1.00 0.00 C ATOM 0 H VAL A 31 1.678 10.913 -1.652 1.00 0.00 H new ATOM 0 HA VAL A 31 3.635 9.184 -0.674 1.00 0.00 H new ATOM 0 HB VAL A 31 2.243 8.557 -2.457 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.297 9.636 -4.678 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.758 10.757 -3.405 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.416 10.867 -4.044 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.867 7.800 -4.155 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.074 8.928 -3.493 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.480 7.577 -2.499 1.00 0.00 H new ATOM 429 N SER A 32 4.812 11.872 -2.089 1.00 0.00 N ATOM 430 CA SER A 32 6.018 12.658 -2.289 1.00 0.00 C ATOM 431 C SER A 32 6.708 12.909 -0.947 1.00 0.00 C ATOM 432 O SER A 32 7.868 13.316 -0.908 1.00 0.00 O ATOM 433 CB SER A 32 5.702 13.986 -2.980 1.00 0.00 C ATOM 434 OG SER A 32 6.843 14.531 -3.637 1.00 0.00 O ATOM 0 H SER A 32 3.946 12.346 -2.346 1.00 0.00 H new ATOM 0 HA SER A 32 6.690 12.094 -2.936 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.903 13.836 -3.706 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.333 14.699 -2.243 1.00 0.00 H new ATOM 0 HG SER A 32 6.600 15.377 -4.067 1.00 0.00 H new ATOM 440 N ALA A 33 5.965 12.655 0.121 1.00 0.00 N ATOM 441 CA ALA A 33 6.492 12.849 1.461 1.00 0.00 C ATOM 442 C ALA A 33 7.564 11.794 1.741 1.00 0.00 C ATOM 443 O ALA A 33 8.649 12.118 2.221 1.00 0.00 O ATOM 444 CB ALA A 33 5.344 12.796 2.472 1.00 0.00 C ATOM 0 H ALA A 33 5.003 12.317 0.085 1.00 0.00 H new ATOM 0 HA ALA A 33 6.962 13.828 1.551 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.738 12.941 3.478 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.624 13.583 2.247 1.00 0.00 H new ATOM 0 HB3 ALA A 33 4.851 11.826 2.412 1.00 0.00 H new ATOM 450 N PHE A 34 7.223 10.552 1.428 1.00 0.00 N ATOM 451 CA PHE A 34 8.143 9.448 1.639 1.00 0.00 C ATOM 452 C PHE A 34 9.538 9.787 1.111 1.00 0.00 C ATOM 453 O PHE A 34 9.700 10.097 -0.069 1.00 0.00 O ATOM 454 CB PHE A 34 7.592 8.251 0.860 1.00 0.00 C ATOM 455 CG PHE A 34 6.242 7.745 1.371 1.00 0.00 C ATOM 456 CD1 PHE A 34 6.128 7.275 2.642 1.00 0.00 C ATOM 457 CD2 PHE A 34 5.155 7.764 0.553 1.00 0.00 C ATOM 458 CE1 PHE A 34 4.875 6.805 3.116 1.00 0.00 C ATOM 459 CE2 PHE A 34 3.902 7.293 1.027 1.00 0.00 C ATOM 460 CZ PHE A 34 3.788 6.824 2.298 1.00 0.00 C ATOM 0 H PHE A 34 6.322 10.286 1.030 1.00 0.00 H new ATOM 0 HA PHE A 34 8.230 9.235 2.704 1.00 0.00 H new ATOM 0 HB2 PHE A 34 7.491 8.529 -0.189 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.315 7.437 0.906 1.00 0.00 H new ATOM 0 HD1 PHE A 34 6.991 7.259 3.291 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.245 8.137 -0.456 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.785 6.432 4.126 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.039 7.307 0.378 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.835 6.467 2.658 1.00 0.00 H new ATOM 470 N GLN A 35 10.509 9.717 2.009 1.00 0.00 N ATOM 471 CA GLN A 35 11.885 10.014 1.648 1.00 0.00 C ATOM 472 C GLN A 35 12.617 8.731 1.248 1.00 0.00 C ATOM 473 O GLN A 35 13.808 8.761 0.941 1.00 0.00 O ATOM 474 CB GLN A 35 12.611 10.726 2.791 1.00 0.00 C ATOM 475 CG GLN A 35 11.677 11.700 3.511 1.00 0.00 C ATOM 476 CD GLN A 35 12.342 12.273 4.764 1.00 0.00 C ATOM 477 OE1 GLN A 35 12.832 13.390 4.782 1.00 0.00 O ATOM 478 NE2 GLN A 35 12.333 11.448 5.807 1.00 0.00 N ATOM 0 H GLN A 35 10.371 9.459 2.986 1.00 0.00 H new ATOM 0 HA GLN A 35 11.878 10.688 0.791 1.00 0.00 H new ATOM 0 HB2 GLN A 35 12.991 9.990 3.500 1.00 0.00 H new ATOM 0 HB3 GLN A 35 13.473 11.266 2.399 1.00 0.00 H new ATOM 0 HG2 GLN A 35 11.403 12.512 2.837 1.00 0.00 H new ATOM 0 HG3 GLN A 35 10.755 11.189 3.786 1.00 0.00 H new ATOM 0 HE21 GLN A 35 11.906 10.526 5.724 1.00 0.00 H new ATOM 0 HE22 GLN A 35 12.753 11.738 6.690 1.00 0.00 H new ATOM 487 N ALA A 36 11.874 7.634 1.266 1.00 0.00 N ATOM 488 CA ALA A 36 12.438 6.343 0.909 1.00 0.00 C ATOM 489 C ALA A 36 13.261 6.487 -0.372 1.00 0.00 C ATOM 490 O ALA A 36 13.190 7.512 -1.048 1.00 0.00 O ATOM 491 CB ALA A 36 11.312 5.316 0.767 1.00 0.00 C ATOM 0 H ALA A 36 10.887 7.612 1.522 1.00 0.00 H new ATOM 0 HA ALA A 36 13.108 5.987 1.692 1.00 0.00 H new ATOM 0 HB1 ALA A 36 11.734 4.348 0.499 1.00 0.00 H new ATOM 0 HB2 ALA A 36 10.777 5.230 1.713 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.621 5.639 -0.012 1.00 0.00 H new ATOM 497 N PRO A 37 14.044 5.416 -0.676 1.00 0.00 N ATOM 498 CA PRO A 37 14.880 5.414 -1.864 1.00 0.00 C ATOM 499 C PRO A 37 14.039 5.201 -3.125 1.00 0.00 C ATOM 500 O PRO A 37 12.923 4.690 -3.052 1.00 0.00 O ATOM 501 CB PRO A 37 15.892 4.304 -1.631 1.00 0.00 C ATOM 502 CG PRO A 37 15.303 3.425 -0.540 1.00 0.00 C ATOM 503 CD PRO A 37 14.153 4.185 0.101 1.00 0.00 C ATOM 0 HA PRO A 37 15.384 6.367 -2.026 1.00 0.00 H new ATOM 0 HB2 PRO A 37 16.062 3.733 -2.544 1.00 0.00 H new ATOM 0 HB3 PRO A 37 16.856 4.712 -1.326 1.00 0.00 H new ATOM 0 HG2 PRO A 37 14.951 2.482 -0.958 1.00 0.00 H new ATOM 0 HG3 PRO A 37 16.061 3.181 0.204 1.00 0.00 H new ATOM 0 HD2 PRO A 37 13.228 3.610 0.063 1.00 0.00 H new ATOM 0 HD3 PRO A 37 14.354 4.396 1.151 1.00 0.00 H new ATOM 511 N GLU A 38 14.609 5.603 -4.252 1.00 0.00 N ATOM 512 CA GLU A 38 13.926 5.463 -5.527 1.00 0.00 C ATOM 513 C GLU A 38 13.989 4.011 -6.005 1.00 0.00 C ATOM 514 O GLU A 38 13.466 3.681 -7.069 1.00 0.00 O ATOM 515 CB GLU A 38 14.517 6.410 -6.572 1.00 0.00 C ATOM 516 CG GLU A 38 13.978 7.831 -6.392 1.00 0.00 C ATOM 517 CD GLU A 38 13.352 8.348 -7.688 1.00 0.00 C ATOM 518 OE1 GLU A 38 12.292 7.803 -8.064 1.00 0.00 O ATOM 519 OE2 GLU A 38 13.947 9.278 -8.274 1.00 0.00 O ATOM 0 H GLU A 38 15.536 6.025 -4.308 1.00 0.00 H new ATOM 0 HA GLU A 38 12.880 5.735 -5.389 1.00 0.00 H new ATOM 0 HB2 GLU A 38 15.604 6.416 -6.489 1.00 0.00 H new ATOM 0 HB3 GLU A 38 14.276 6.050 -7.572 1.00 0.00 H new ATOM 0 HG2 GLU A 38 13.235 7.844 -5.595 1.00 0.00 H new ATOM 0 HG3 GLU A 38 14.787 8.494 -6.085 1.00 0.00 H new ATOM 526 N ASP A 39 14.633 3.182 -5.197 1.00 0.00 N ATOM 527 CA ASP A 39 14.771 1.773 -5.524 1.00 0.00 C ATOM 528 C ASP A 39 14.270 0.930 -4.350 1.00 0.00 C ATOM 529 O ASP A 39 14.597 -0.252 -4.246 1.00 0.00 O ATOM 530 CB ASP A 39 16.234 1.407 -5.779 1.00 0.00 C ATOM 531 CG ASP A 39 17.091 2.534 -6.359 1.00 0.00 C ATOM 532 OD1 ASP A 39 16.780 2.957 -7.494 1.00 0.00 O ATOM 533 OD2 ASP A 39 18.037 2.948 -5.655 1.00 0.00 O ATOM 0 H ASP A 39 15.065 3.459 -4.316 1.00 0.00 H new ATOM 0 HA ASP A 39 14.189 1.577 -6.424 1.00 0.00 H new ATOM 0 HB2 ASP A 39 16.680 1.079 -4.840 1.00 0.00 H new ATOM 0 HB3 ASP A 39 16.267 0.558 -6.462 1.00 0.00 H new ATOM 538 N LEU A 40 13.485 1.569 -3.496 1.00 0.00 N ATOM 539 CA LEU A 40 12.936 0.893 -2.333 1.00 0.00 C ATOM 540 C LEU A 40 12.529 -0.530 -2.721 1.00 0.00 C ATOM 541 O LEU A 40 12.932 -1.494 -2.072 1.00 0.00 O ATOM 542 CB LEU A 40 11.797 1.713 -1.724 1.00 0.00 C ATOM 543 CG LEU A 40 11.155 1.135 -0.461 1.00 0.00 C ATOM 544 CD1 LEU A 40 12.210 0.857 0.612 1.00 0.00 C ATOM 545 CD2 LEU A 40 10.040 2.047 0.054 1.00 0.00 C ATOM 0 H LEU A 40 13.216 2.549 -3.586 1.00 0.00 H new ATOM 0 HA LEU A 40 13.690 0.808 -1.551 1.00 0.00 H new ATOM 0 HB2 LEU A 40 12.176 2.708 -1.492 1.00 0.00 H new ATOM 0 HB3 LEU A 40 11.020 1.836 -2.479 1.00 0.00 H new ATOM 0 HG LEU A 40 10.697 0.180 -0.717 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.727 0.447 1.499 1.00 0.00 H new ATOM 0 HD12 LEU A 40 12.937 0.140 0.230 1.00 0.00 H new ATOM 0 HD13 LEU A 40 12.718 1.786 0.872 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.601 1.613 0.952 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.452 3.028 0.289 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.272 2.151 -0.712 1.00 0.00 H new ATOM 557 N LEU A 41 11.736 -0.617 -3.779 1.00 0.00 N ATOM 558 CA LEU A 41 11.270 -1.906 -4.261 1.00 0.00 C ATOM 559 C LEU A 41 11.953 -2.224 -5.593 1.00 0.00 C ATOM 560 O LEU A 41 11.299 -2.274 -6.633 1.00 0.00 O ATOM 561 CB LEU A 41 9.742 -1.932 -4.332 1.00 0.00 C ATOM 562 CG LEU A 41 9.007 -1.127 -3.258 1.00 0.00 C ATOM 563 CD1 LEU A 41 7.898 -0.274 -3.875 1.00 0.00 C ATOM 564 CD2 LEU A 41 8.478 -2.043 -2.153 1.00 0.00 C ATOM 0 H LEU A 41 11.404 0.184 -4.316 1.00 0.00 H new ATOM 0 HA LEU A 41 11.546 -2.696 -3.563 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.437 -1.559 -5.310 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.413 -2.969 -4.270 1.00 0.00 H new ATOM 0 HG LEU A 41 9.719 -0.443 -2.796 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.392 0.288 -3.090 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.331 0.419 -4.596 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.180 -0.920 -4.379 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.960 -1.446 -1.402 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.786 -2.768 -2.581 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.311 -2.569 -1.687 1.00 0.00 H new ATOM 576 N ASP A 42 13.259 -2.432 -5.517 1.00 0.00 N ATOM 577 CA ASP A 42 14.038 -2.744 -6.703 1.00 0.00 C ATOM 578 C ASP A 42 13.746 -4.183 -7.135 1.00 0.00 C ATOM 579 O ASP A 42 13.834 -5.107 -6.328 1.00 0.00 O ATOM 580 CB ASP A 42 15.538 -2.629 -6.424 1.00 0.00 C ATOM 581 CG ASP A 42 16.434 -3.446 -7.357 1.00 0.00 C ATOM 582 OD1 ASP A 42 16.032 -3.612 -8.529 1.00 0.00 O ATOM 583 OD2 ASP A 42 17.500 -3.886 -6.877 1.00 0.00 O ATOM 0 H ASP A 42 13.798 -2.391 -4.652 1.00 0.00 H new ATOM 0 HA ASP A 42 13.762 -2.035 -7.484 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.826 -1.580 -6.495 1.00 0.00 H new ATOM 0 HB3 ASP A 42 15.726 -2.943 -5.397 1.00 0.00 H new ATOM 588 N GLY A 43 13.406 -4.327 -8.408 1.00 0.00 N ATOM 589 CA GLY A 43 13.101 -5.638 -8.956 1.00 0.00 C ATOM 590 C GLY A 43 12.064 -6.364 -8.097 1.00 0.00 C ATOM 591 O GLY A 43 12.188 -7.563 -7.849 1.00 0.00 O ATOM 0 H GLY A 43 13.335 -3.558 -9.075 1.00 0.00 H new ATOM 0 HA2 GLY A 43 12.725 -5.532 -9.974 1.00 0.00 H new ATOM 0 HA3 GLY A 43 14.012 -6.233 -9.013 1.00 0.00 H new ATOM 595 N CYS A 44 11.065 -5.608 -7.667 1.00 0.00 N ATOM 596 CA CYS A 44 10.007 -6.165 -6.841 1.00 0.00 C ATOM 597 C CYS A 44 8.683 -6.017 -7.592 1.00 0.00 C ATOM 598 O CYS A 44 8.252 -4.902 -7.884 1.00 0.00 O ATOM 599 CB CYS A 44 9.959 -5.504 -5.462 1.00 0.00 C ATOM 600 SG CYS A 44 11.574 -5.691 -4.621 1.00 0.00 S ATOM 0 H CYS A 44 10.966 -4.614 -7.875 1.00 0.00 H new ATOM 0 HA CYS A 44 10.203 -7.222 -6.658 1.00 0.00 H new ATOM 0 HB2 CYS A 44 9.714 -4.447 -5.565 1.00 0.00 H new ATOM 0 HB3 CYS A 44 9.172 -5.957 -4.860 1.00 0.00 H new ATOM 0 HG CYS A 44 12.523 -5.729 -5.508 1.00 0.00 H new ATOM 606 N ARG A 45 8.073 -7.156 -7.882 1.00 0.00 N ATOM 607 CA ARG A 45 6.806 -7.167 -8.594 1.00 0.00 C ATOM 608 C ARG A 45 5.644 -7.302 -7.607 1.00 0.00 C ATOM 609 O ARG A 45 5.454 -8.359 -7.007 1.00 0.00 O ATOM 610 CB ARG A 45 6.748 -8.319 -9.599 1.00 0.00 C ATOM 611 CG ARG A 45 7.625 -8.027 -10.818 1.00 0.00 C ATOM 612 CD ARG A 45 7.751 -9.263 -11.711 1.00 0.00 C ATOM 613 NE ARG A 45 8.857 -10.122 -11.234 1.00 0.00 N ATOM 614 CZ ARG A 45 10.156 -9.821 -11.372 1.00 0.00 C ATOM 615 NH1 ARG A 45 10.519 -8.681 -11.975 1.00 0.00 N ATOM 616 NH2 ARG A 45 11.091 -10.661 -10.908 1.00 0.00 N ATOM 0 H ARG A 45 8.432 -8.079 -7.637 1.00 0.00 H new ATOM 0 HA ARG A 45 6.722 -6.224 -9.134 1.00 0.00 H new ATOM 0 HB2 ARG A 45 7.079 -9.241 -9.121 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.718 -8.477 -9.917 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.197 -7.203 -11.389 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.615 -7.708 -10.491 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.816 -9.823 -11.705 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.934 -8.960 -12.742 1.00 0.00 H new ATOM 0 HE ARG A 45 8.616 -10.998 -10.771 1.00 0.00 H new ATOM 0 HH11 ARG A 45 9.807 -8.042 -12.329 1.00 0.00 H new ATOM 0 HH12 ARG A 45 11.507 -8.452 -12.080 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.814 -11.529 -10.450 1.00 0.00 H new ATOM 0 HH22 ARG A 45 12.079 -10.432 -11.013 1.00 0.00 H new ATOM 630 N ILE A 46 4.898 -6.216 -7.469 1.00 0.00 N ATOM 631 CA ILE A 46 3.760 -6.200 -6.565 1.00 0.00 C ATOM 632 C ILE A 46 2.471 -6.063 -7.377 1.00 0.00 C ATOM 633 O ILE A 46 2.487 -5.539 -8.490 1.00 0.00 O ATOM 634 CB ILE A 46 3.935 -5.113 -5.502 1.00 0.00 C ATOM 635 CG1 ILE A 46 5.323 -5.191 -4.863 1.00 0.00 C ATOM 636 CG2 ILE A 46 2.819 -5.182 -4.458 1.00 0.00 C ATOM 637 CD1 ILE A 46 6.044 -3.844 -4.953 1.00 0.00 C ATOM 0 H ILE A 46 5.059 -5.341 -7.968 1.00 0.00 H new ATOM 0 HA ILE A 46 3.695 -7.141 -6.018 1.00 0.00 H new ATOM 0 HB ILE A 46 3.859 -4.142 -5.991 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.230 -5.489 -3.819 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.915 -5.958 -5.362 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.967 -4.399 -3.715 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.855 -5.041 -4.946 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.839 -6.156 -3.968 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.028 -3.927 -4.492 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.156 -3.561 -6.000 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.462 -3.084 -4.432 1.00 0.00 H new ATOM 649 N TYR A 47 1.385 -6.543 -6.789 1.00 0.00 N ATOM 650 CA TYR A 47 0.089 -6.481 -7.444 1.00 0.00 C ATOM 651 C TYR A 47 -0.901 -5.654 -6.623 1.00 0.00 C ATOM 652 O TYR A 47 -1.207 -5.999 -5.482 1.00 0.00 O ATOM 653 CB TYR A 47 -0.412 -7.924 -7.525 1.00 0.00 C ATOM 654 CG TYR A 47 -1.795 -8.068 -8.163 1.00 0.00 C ATOM 655 CD1 TYR A 47 -2.910 -7.581 -7.511 1.00 0.00 C ATOM 656 CD2 TYR A 47 -1.928 -8.684 -9.390 1.00 0.00 C ATOM 657 CE1 TYR A 47 -4.212 -7.716 -8.111 1.00 0.00 C ATOM 658 CE2 TYR A 47 -3.230 -8.819 -9.991 1.00 0.00 C ATOM 659 CZ TYR A 47 -4.308 -8.328 -9.322 1.00 0.00 C ATOM 660 OH TYR A 47 -5.537 -8.456 -9.889 1.00 0.00 O ATOM 0 H TYR A 47 1.376 -6.977 -5.866 1.00 0.00 H new ATOM 0 HA TYR A 47 0.176 -6.014 -8.425 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.304 -8.515 -8.097 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.441 -8.344 -6.520 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -2.806 -7.098 -6.550 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -1.056 -9.065 -9.900 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -5.092 -7.340 -7.611 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -3.348 -9.299 -10.951 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.440 -8.760 -10.816 1.00 0.00 H new ATOM 670 N LEU A 48 -1.376 -4.579 -7.234 1.00 0.00 N ATOM 671 CA LEU A 48 -2.326 -3.700 -6.574 1.00 0.00 C ATOM 672 C LEU A 48 -3.740 -4.251 -6.763 1.00 0.00 C ATOM 673 O LEU A 48 -4.145 -4.560 -7.883 1.00 0.00 O ATOM 674 CB LEU A 48 -2.155 -2.261 -7.064 1.00 0.00 C ATOM 675 CG LEU A 48 -0.889 -1.539 -6.600 1.00 0.00 C ATOM 676 CD1 LEU A 48 -0.814 -0.129 -7.188 1.00 0.00 C ATOM 677 CD2 LEU A 48 -0.792 -1.529 -5.073 1.00 0.00 C ATOM 0 H LEU A 48 -1.120 -4.296 -8.180 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.136 -3.671 -5.501 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.167 -2.266 -8.154 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.019 -1.682 -6.738 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.026 -2.090 -6.974 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.096 0.362 -6.842 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.802 -0.189 -8.276 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.682 0.446 -6.865 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.117 -1.010 -4.770 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.659 -1.016 -4.657 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.765 -2.554 -4.703 1.00 0.00 H new ATOM 689 N CYS A 49 -4.454 -4.357 -5.652 1.00 0.00 N ATOM 690 CA CYS A 49 -5.815 -4.865 -5.681 1.00 0.00 C ATOM 691 C CYS A 49 -6.654 -4.047 -4.697 1.00 0.00 C ATOM 692 O CYS A 49 -6.183 -3.697 -3.616 1.00 0.00 O ATOM 693 CB CYS A 49 -5.866 -6.362 -5.369 1.00 0.00 C ATOM 694 SG CYS A 49 -7.286 -7.132 -6.230 1.00 0.00 S ATOM 0 H CYS A 49 -4.115 -4.099 -4.725 1.00 0.00 H new ATOM 0 HA CYS A 49 -6.226 -4.756 -6.685 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -4.938 -6.839 -5.683 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -5.956 -6.515 -4.294 1.00 0.00 H new ATOM 0 HG CYS A 49 -7.319 -8.403 -5.961 1.00 0.00 H new ATOM 700 N GLY A 50 -7.883 -3.768 -5.107 1.00 0.00 N ATOM 701 CA GLY A 50 -8.792 -2.999 -4.275 1.00 0.00 C ATOM 702 C GLY A 50 -8.370 -1.529 -4.215 1.00 0.00 C ATOM 703 O GLY A 50 -8.434 -0.904 -3.158 1.00 0.00 O ATOM 0 H GLY A 50 -8.270 -4.061 -6.004 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -9.805 -3.074 -4.671 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.811 -3.417 -3.268 1.00 0.00 H new ATOM 707 N PHE A 51 -7.949 -1.021 -5.364 1.00 0.00 N ATOM 708 CA PHE A 51 -7.517 0.364 -5.456 1.00 0.00 C ATOM 709 C PHE A 51 -8.017 1.010 -6.750 1.00 0.00 C ATOM 710 O PHE A 51 -7.892 0.428 -7.826 1.00 0.00 O ATOM 711 CB PHE A 51 -5.987 0.355 -5.463 1.00 0.00 C ATOM 712 CG PHE A 51 -5.361 -0.076 -4.135 1.00 0.00 C ATOM 713 CD1 PHE A 51 -5.760 0.508 -2.973 1.00 0.00 C ATOM 714 CD2 PHE A 51 -4.406 -1.044 -4.116 1.00 0.00 C ATOM 715 CE1 PHE A 51 -5.179 0.108 -1.741 1.00 0.00 C ATOM 716 CE2 PHE A 51 -3.825 -1.445 -2.884 1.00 0.00 C ATOM 717 CZ PHE A 51 -4.224 -0.860 -1.722 1.00 0.00 C ATOM 0 H PHE A 51 -7.898 -1.543 -6.239 1.00 0.00 H new ATOM 0 HA PHE A 51 -7.917 0.935 -4.618 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.641 -0.315 -6.250 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.629 1.353 -5.714 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.519 1.276 -2.988 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -4.089 -1.508 -5.038 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -5.495 0.572 -0.819 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.067 -2.214 -2.869 1.00 0.00 H new ATOM 0 HZ PHE A 51 -3.782 -1.164 -0.785 1.00 0.00 H new ATOM 727 N SER A 52 -8.573 2.203 -6.601 1.00 0.00 N ATOM 728 CA SER A 52 -9.093 2.934 -7.744 1.00 0.00 C ATOM 729 C SER A 52 -9.213 4.421 -7.403 1.00 0.00 C ATOM 730 O SER A 52 -9.617 4.777 -6.297 1.00 0.00 O ATOM 731 CB SER A 52 -10.449 2.378 -8.183 1.00 0.00 C ATOM 732 OG SER A 52 -11.490 2.733 -7.276 1.00 0.00 O ATOM 0 H SER A 52 -8.675 2.682 -5.706 1.00 0.00 H new ATOM 0 HA SER A 52 -8.396 2.813 -8.574 1.00 0.00 H new ATOM 0 HB2 SER A 52 -10.690 2.754 -9.177 1.00 0.00 H new ATOM 0 HB3 SER A 52 -10.389 1.292 -8.259 1.00 0.00 H new ATOM 0 HG SER A 52 -12.340 2.361 -7.592 1.00 0.00 H new ATOM 738 N GLY A 53 -8.856 5.248 -8.374 1.00 0.00 N ATOM 739 CA GLY A 53 -8.919 6.689 -8.191 1.00 0.00 C ATOM 740 C GLY A 53 -7.621 7.221 -7.581 1.00 0.00 C ATOM 741 O GLY A 53 -6.553 7.095 -8.177 1.00 0.00 O ATOM 0 H GLY A 53 -8.522 4.949 -9.290 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.099 7.174 -9.151 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -9.759 6.941 -7.544 1.00 0.00 H new ATOM 745 N ARG A 54 -7.756 7.805 -6.399 1.00 0.00 N ATOM 746 CA ARG A 54 -6.608 8.357 -5.701 1.00 0.00 C ATOM 747 C ARG A 54 -5.784 7.236 -5.065 1.00 0.00 C ATOM 748 O ARG A 54 -4.575 7.153 -5.276 1.00 0.00 O ATOM 749 CB ARG A 54 -7.045 9.340 -4.613 1.00 0.00 C ATOM 750 CG ARG A 54 -7.322 10.724 -5.203 1.00 0.00 C ATOM 751 CD ARG A 54 -8.273 11.521 -4.309 1.00 0.00 C ATOM 752 NE ARG A 54 -9.467 11.933 -5.080 1.00 0.00 N ATOM 753 CZ ARG A 54 -10.247 12.974 -4.758 1.00 0.00 C ATOM 754 NH1 ARG A 54 -9.963 13.715 -3.678 1.00 0.00 N ATOM 755 NH2 ARG A 54 -11.311 13.274 -5.516 1.00 0.00 N ATOM 0 H ARG A 54 -8.644 7.908 -5.907 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.000 8.889 -6.432 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.941 8.966 -4.119 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.268 9.414 -3.852 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -6.385 11.268 -5.319 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -7.755 10.619 -6.198 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -8.573 10.916 -3.453 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -7.763 12.400 -3.915 1.00 0.00 H new ATOM 0 HE ARG A 54 -9.712 11.391 -5.908 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -9.153 13.487 -3.101 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -10.557 14.507 -3.433 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -11.527 12.710 -6.338 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -11.905 14.066 -5.271 1.00 0.00 H new ATOM 769 N LYS A 55 -6.471 6.401 -4.299 1.00 0.00 N ATOM 770 CA LYS A 55 -5.818 5.288 -3.631 1.00 0.00 C ATOM 771 C LYS A 55 -4.815 4.641 -4.589 1.00 0.00 C ATOM 772 O LYS A 55 -3.633 4.526 -4.270 1.00 0.00 O ATOM 773 CB LYS A 55 -6.857 4.312 -3.077 1.00 0.00 C ATOM 774 CG LYS A 55 -7.572 4.903 -1.860 1.00 0.00 C ATOM 775 CD LYS A 55 -7.928 3.812 -0.849 1.00 0.00 C ATOM 776 CE LYS A 55 -7.642 4.275 0.581 1.00 0.00 C ATOM 777 NZ LYS A 55 -8.780 3.949 1.469 1.00 0.00 N ATOM 0 H LYS A 55 -7.474 6.473 -4.126 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.253 5.640 -2.768 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.586 4.074 -3.851 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.371 3.377 -2.799 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.934 5.649 -1.386 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.479 5.416 -2.180 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.982 3.551 -0.947 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.355 2.910 -1.065 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.736 3.795 0.950 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.461 5.350 0.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.569 4.270 2.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.637 4.427 1.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.935 2.921 1.472 1.00 0.00 H new ATOM 791 N LEU A 56 -5.325 4.236 -5.743 1.00 0.00 N ATOM 792 CA LEU A 56 -4.489 3.604 -6.749 1.00 0.00 C ATOM 793 C LEU A 56 -3.382 4.574 -7.169 1.00 0.00 C ATOM 794 O LEU A 56 -2.199 4.283 -6.998 1.00 0.00 O ATOM 795 CB LEU A 56 -5.341 3.101 -7.915 1.00 0.00 C ATOM 796 CG LEU A 56 -4.596 2.335 -9.010 1.00 0.00 C ATOM 797 CD1 LEU A 56 -3.559 1.386 -8.406 1.00 0.00 C ATOM 798 CD2 LEU A 56 -5.574 1.603 -9.931 1.00 0.00 C ATOM 0 H LEU A 56 -6.306 4.333 -6.003 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.000 2.721 -6.338 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.123 2.455 -7.515 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.837 3.957 -8.372 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.055 3.056 -9.623 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.044 0.854 -9.205 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.835 1.959 -7.826 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.058 0.668 -7.755 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.018 1.067 -10.700 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.162 0.894 -9.348 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.240 2.326 -10.402 1.00 0.00 H new ATOM 810 N ASP A 57 -3.806 5.706 -7.711 1.00 0.00 N ATOM 811 CA ASP A 57 -2.866 6.720 -8.157 1.00 0.00 C ATOM 812 C ASP A 57 -1.717 6.821 -7.152 1.00 0.00 C ATOM 813 O ASP A 57 -0.550 6.858 -7.540 1.00 0.00 O ATOM 814 CB ASP A 57 -3.537 8.092 -8.247 1.00 0.00 C ATOM 815 CG ASP A 57 -3.536 8.722 -9.641 1.00 0.00 C ATOM 816 OD1 ASP A 57 -3.187 7.992 -10.594 1.00 0.00 O ATOM 817 OD2 ASP A 57 -3.883 9.920 -9.723 1.00 0.00 O ATOM 0 H ASP A 57 -4.788 5.943 -7.851 1.00 0.00 H new ATOM 0 HA ASP A 57 -2.502 6.432 -9.143 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.569 7.998 -7.908 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.035 8.771 -7.557 1.00 0.00 H new ATOM 822 N LYS A 58 -2.087 6.863 -5.881 1.00 0.00 N ATOM 823 CA LYS A 58 -1.101 6.959 -4.817 1.00 0.00 C ATOM 824 C LYS A 58 -0.119 5.791 -4.931 1.00 0.00 C ATOM 825 O LYS A 58 1.052 5.989 -5.250 1.00 0.00 O ATOM 826 CB LYS A 58 -1.791 7.052 -3.455 1.00 0.00 C ATOM 827 CG LYS A 58 -2.400 8.439 -3.242 1.00 0.00 C ATOM 828 CD LYS A 58 -1.312 9.482 -2.980 1.00 0.00 C ATOM 829 CE LYS A 58 -1.924 10.858 -2.710 1.00 0.00 C ATOM 830 NZ LYS A 58 -0.874 11.901 -2.706 1.00 0.00 N ATOM 0 H LYS A 58 -3.056 6.832 -5.563 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.520 7.876 -4.917 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.571 6.294 -3.386 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.071 6.842 -2.664 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.978 8.725 -4.121 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.092 8.411 -2.400 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.707 9.175 -2.126 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.644 9.540 -3.839 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.669 11.087 -3.472 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.441 10.851 -1.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.305 12.828 -2.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.407 11.920 -1.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.171 11.689 -3.443 1.00 0.00 H new ATOM 844 N LEU A 59 -0.633 4.599 -4.664 1.00 0.00 N ATOM 845 CA LEU A 59 0.184 3.400 -4.732 1.00 0.00 C ATOM 846 C LEU A 59 0.990 3.410 -6.033 1.00 0.00 C ATOM 847 O LEU A 59 2.177 3.087 -6.034 1.00 0.00 O ATOM 848 CB LEU A 59 -0.681 2.151 -4.555 1.00 0.00 C ATOM 849 CG LEU A 59 -0.510 1.398 -3.234 1.00 0.00 C ATOM 850 CD1 LEU A 59 -0.071 2.345 -2.116 1.00 0.00 C ATOM 851 CD2 LEU A 59 -1.784 0.633 -2.870 1.00 0.00 C ATOM 0 H LEU A 59 -1.605 4.438 -4.400 1.00 0.00 H new ATOM 0 HA LEU A 59 0.902 3.382 -3.912 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.727 2.441 -4.652 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.464 1.464 -5.373 1.00 0.00 H new ATOM 0 HG LEU A 59 0.283 0.661 -3.361 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.043 1.784 -1.188 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.881 2.805 -2.382 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.824 3.122 -1.980 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.636 0.107 -1.927 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.613 1.334 -2.768 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.013 -0.087 -3.655 1.00 0.00 H new ATOM 863 N ARG A 60 0.312 3.784 -7.108 1.00 0.00 N ATOM 864 CA ARG A 60 0.950 3.841 -8.412 1.00 0.00 C ATOM 865 C ARG A 60 2.205 4.715 -8.352 1.00 0.00 C ATOM 866 O ARG A 60 3.201 4.422 -9.012 1.00 0.00 O ATOM 867 CB ARG A 60 -0.004 4.402 -9.468 1.00 0.00 C ATOM 868 CG ARG A 60 -1.135 3.415 -9.766 1.00 0.00 C ATOM 869 CD ARG A 60 -2.066 3.959 -10.851 1.00 0.00 C ATOM 870 NE ARG A 60 -2.570 2.849 -11.690 1.00 0.00 N ATOM 871 CZ ARG A 60 -3.402 3.009 -12.727 1.00 0.00 C ATOM 872 NH1 ARG A 60 -3.830 4.234 -13.060 1.00 0.00 N ATOM 873 NH2 ARG A 60 -3.807 1.943 -13.432 1.00 0.00 N ATOM 0 H ARG A 60 -0.673 4.050 -7.103 1.00 0.00 H new ATOM 0 HA ARG A 60 1.225 2.824 -8.691 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.423 5.346 -9.120 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.547 4.616 -10.384 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.715 2.462 -10.087 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.704 3.223 -8.856 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -2.902 4.488 -10.393 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.533 4.681 -11.470 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.264 1.902 -11.464 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -3.522 5.045 -12.524 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -4.464 4.356 -13.850 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.481 1.010 -13.178 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -4.441 2.065 -14.222 1.00 0.00 H new ATOM 887 N ARG A 61 2.115 5.769 -7.555 1.00 0.00 N ATOM 888 CA ARG A 61 3.230 6.688 -7.401 1.00 0.00 C ATOM 889 C ARG A 61 4.246 6.125 -6.404 1.00 0.00 C ATOM 890 O ARG A 61 5.450 6.323 -6.562 1.00 0.00 O ATOM 891 CB ARG A 61 2.753 8.057 -6.913 1.00 0.00 C ATOM 892 CG ARG A 61 1.979 8.790 -8.011 1.00 0.00 C ATOM 893 CD ARG A 61 1.732 10.250 -7.626 1.00 0.00 C ATOM 894 NE ARG A 61 1.728 11.100 -8.838 1.00 0.00 N ATOM 895 CZ ARG A 61 1.844 12.435 -8.820 1.00 0.00 C ATOM 896 NH1 ARG A 61 1.973 13.080 -7.653 1.00 0.00 N ATOM 897 NH2 ARG A 61 1.830 13.124 -9.969 1.00 0.00 N ATOM 0 H ARG A 61 1.287 6.007 -7.009 1.00 0.00 H new ATOM 0 HA ARG A 61 3.699 6.807 -8.378 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.118 7.934 -6.036 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.610 8.656 -6.605 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.538 8.746 -8.946 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.026 8.290 -8.185 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.779 10.341 -7.105 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.506 10.589 -6.937 1.00 0.00 H new ATOM 0 HE ARG A 61 1.631 10.641 -9.744 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.983 12.555 -6.779 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.061 14.096 -7.639 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.731 12.632 -10.857 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.918 14.140 -9.955 1.00 0.00 H new ATOM 911 N LEU A 62 3.724 5.436 -5.401 1.00 0.00 N ATOM 912 CA LEU A 62 4.571 4.844 -4.379 1.00 0.00 C ATOM 913 C LEU A 62 5.482 3.796 -5.022 1.00 0.00 C ATOM 914 O LEU A 62 6.694 3.989 -5.104 1.00 0.00 O ATOM 915 CB LEU A 62 3.721 4.297 -3.230 1.00 0.00 C ATOM 916 CG LEU A 62 3.342 5.302 -2.140 1.00 0.00 C ATOM 917 CD1 LEU A 62 1.979 5.934 -2.427 1.00 0.00 C ATOM 918 CD2 LEU A 62 3.392 4.653 -0.755 1.00 0.00 C ATOM 0 H LEU A 62 2.725 5.274 -5.274 1.00 0.00 H new ATOM 0 HA LEU A 62 5.218 5.601 -3.935 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.804 3.881 -3.648 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.261 3.473 -2.765 1.00 0.00 H new ATOM 0 HG LEU A 62 4.078 6.106 -2.146 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.734 6.644 -1.637 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.013 6.454 -3.385 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.217 5.155 -2.464 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.119 5.388 0.002 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.692 3.818 -0.719 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.401 4.290 -0.560 1.00 0.00 H new ATOM 930 N ILE A 63 4.864 2.711 -5.463 1.00 0.00 N ATOM 931 CA ILE A 63 5.604 1.633 -6.096 1.00 0.00 C ATOM 932 C ILE A 63 6.704 2.225 -6.980 1.00 0.00 C ATOM 933 O ILE A 63 7.877 1.893 -6.823 1.00 0.00 O ATOM 934 CB ILE A 63 4.653 0.696 -6.843 1.00 0.00 C ATOM 935 CG1 ILE A 63 3.920 -0.231 -5.871 1.00 0.00 C ATOM 936 CG2 ILE A 63 5.393 -0.084 -7.931 1.00 0.00 C ATOM 937 CD1 ILE A 63 2.464 -0.431 -6.297 1.00 0.00 C ATOM 0 H ILE A 63 3.858 2.555 -5.394 1.00 0.00 H new ATOM 0 HA ILE A 63 6.096 1.017 -5.344 1.00 0.00 H new ATOM 0 HB ILE A 63 3.897 1.303 -7.341 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.427 -1.195 -5.830 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.954 0.190 -4.866 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.694 -0.742 -8.446 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.829 0.614 -8.646 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.185 -0.680 -7.477 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.966 -1.094 -5.590 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.954 0.532 -6.313 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.434 -0.874 -7.292 1.00 0.00 H new ATOM 949 N ASN A 64 6.284 3.093 -7.889 1.00 0.00 N ATOM 950 CA ASN A 64 7.219 3.735 -8.797 1.00 0.00 C ATOM 951 C ASN A 64 8.257 4.514 -7.988 1.00 0.00 C ATOM 952 O ASN A 64 9.451 4.447 -8.274 1.00 0.00 O ATOM 953 CB ASN A 64 6.501 4.722 -9.719 1.00 0.00 C ATOM 954 CG ASN A 64 7.181 4.789 -11.088 1.00 0.00 C ATOM 955 OD1 ASN A 64 7.565 3.787 -11.669 1.00 0.00 O ATOM 956 ND2 ASN A 64 7.310 6.022 -11.569 1.00 0.00 N ATOM 0 H ASN A 64 5.310 3.366 -8.016 1.00 0.00 H new ATOM 0 HA ASN A 64 7.692 2.958 -9.398 1.00 0.00 H new ATOM 0 HB2 ASN A 64 5.461 4.421 -9.840 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.495 5.712 -9.263 1.00 0.00 H new ATOM 0 HD21 ASN A 64 7.752 6.172 -12.476 1.00 0.00 H new ATOM 0 HD22 ASN A 64 6.967 6.818 -11.031 1.00 0.00 H new ATOM 963 N SER A 65 7.764 5.236 -6.992 1.00 0.00 N ATOM 964 CA SER A 65 8.634 6.027 -6.138 1.00 0.00 C ATOM 965 C SER A 65 9.643 5.118 -5.433 1.00 0.00 C ATOM 966 O SER A 65 10.696 5.577 -4.993 1.00 0.00 O ATOM 967 CB SER A 65 7.825 6.820 -5.110 1.00 0.00 C ATOM 968 OG SER A 65 8.662 7.579 -4.242 1.00 0.00 O ATOM 0 H SER A 65 6.773 5.290 -6.757 1.00 0.00 H new ATOM 0 HA SER A 65 9.172 6.739 -6.764 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.138 7.489 -5.628 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.218 6.134 -4.520 1.00 0.00 H new ATOM 0 HG SER A 65 8.108 8.072 -3.602 1.00 0.00 H new ATOM 974 N GLY A 66 9.286 3.845 -5.349 1.00 0.00 N ATOM 975 CA GLY A 66 10.147 2.867 -4.705 1.00 0.00 C ATOM 976 C GLY A 66 10.905 2.037 -5.742 1.00 0.00 C ATOM 977 O GLY A 66 11.852 1.328 -5.403 1.00 0.00 O ATOM 0 H GLY A 66 8.412 3.468 -5.716 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.856 3.376 -4.052 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.548 2.209 -4.075 1.00 0.00 H new ATOM 981 N GLY A 67 10.460 2.151 -6.985 1.00 0.00 N ATOM 982 CA GLY A 67 11.084 1.419 -8.073 1.00 0.00 C ATOM 983 C GLY A 67 10.339 0.113 -8.355 1.00 0.00 C ATOM 984 O GLY A 67 10.575 -0.534 -9.374 1.00 0.00 O ATOM 0 H GLY A 67 9.674 2.740 -7.262 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.096 2.036 -8.971 1.00 0.00 H new ATOM 0 HA3 GLY A 67 12.122 1.202 -7.822 1.00 0.00 H new ATOM 988 N GLY A 68 9.453 -0.236 -7.433 1.00 0.00 N ATOM 989 CA GLY A 68 8.672 -1.453 -7.570 1.00 0.00 C ATOM 990 C GLY A 68 7.953 -1.495 -8.920 1.00 0.00 C ATOM 991 O GLY A 68 7.686 -0.454 -9.518 1.00 0.00 O ATOM 0 H GLY A 68 9.259 0.303 -6.589 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.325 -2.321 -7.475 1.00 0.00 H new ATOM 0 HA3 GLY A 68 7.942 -1.513 -6.763 1.00 0.00 H new ATOM 995 N VAL A 69 7.660 -2.710 -9.361 1.00 0.00 N ATOM 996 CA VAL A 69 6.978 -2.901 -10.629 1.00 0.00 C ATOM 997 C VAL A 69 5.494 -3.169 -10.370 1.00 0.00 C ATOM 998 O VAL A 69 5.130 -4.232 -9.869 1.00 0.00 O ATOM 999 CB VAL A 69 7.657 -4.017 -11.426 1.00 0.00 C ATOM 1000 CG1 VAL A 69 6.704 -4.603 -12.470 1.00 0.00 C ATOM 1001 CG2 VAL A 69 8.947 -3.518 -12.079 1.00 0.00 C ATOM 0 H VAL A 69 7.883 -3.571 -8.862 1.00 0.00 H new ATOM 0 HA VAL A 69 7.044 -1.999 -11.238 1.00 0.00 H new ATOM 0 HB VAL A 69 7.921 -4.813 -10.730 1.00 0.00 H new ATOM 0 HG11 VAL A 69 7.211 -5.394 -13.022 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.826 -5.014 -11.971 1.00 0.00 H new ATOM 0 HG13 VAL A 69 6.395 -3.819 -13.161 1.00 0.00 H new ATOM 0 HG21 VAL A 69 9.409 -4.331 -12.639 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.717 -2.695 -12.756 1.00 0.00 H new ATOM 0 HG23 VAL A 69 9.635 -3.172 -11.308 1.00 0.00 H new ATOM 1011 N ARG A 70 4.678 -2.187 -10.722 1.00 0.00 N ATOM 1012 CA ARG A 70 3.242 -2.303 -10.533 1.00 0.00 C ATOM 1013 C ARG A 70 2.640 -3.224 -11.597 1.00 0.00 C ATOM 1014 O ARG A 70 2.431 -2.809 -12.736 1.00 0.00 O ATOM 1015 CB ARG A 70 2.563 -0.934 -10.611 1.00 0.00 C ATOM 1016 CG ARG A 70 1.062 -1.050 -10.339 1.00 0.00 C ATOM 1017 CD ARG A 70 0.304 0.138 -10.936 1.00 0.00 C ATOM 1018 NE ARG A 70 0.092 -0.073 -12.385 1.00 0.00 N ATOM 1019 CZ ARG A 70 -0.107 0.917 -13.267 1.00 0.00 C ATOM 1020 NH1 ARG A 70 -0.122 2.191 -12.852 1.00 0.00 N ATOM 1021 NH2 ARG A 70 -0.290 0.632 -14.563 1.00 0.00 N ATOM 0 H ARG A 70 4.984 -1.307 -11.137 1.00 0.00 H new ATOM 0 HA ARG A 70 3.071 -2.724 -9.542 1.00 0.00 H new ATOM 0 HB2 ARG A 70 3.016 -0.258 -9.886 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.725 -0.499 -11.597 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.682 -1.979 -10.764 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.886 -1.096 -9.264 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -0.656 0.257 -10.433 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.866 1.058 -10.772 1.00 0.00 H new ATOM 0 HE ARG A 70 0.098 -1.031 -12.735 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.018 2.408 -11.865 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -0.273 2.944 -13.523 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.278 -0.338 -14.879 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.441 1.385 -15.234 1.00 0.00 H new ATOM 1035 N PHE A 71 2.378 -4.456 -11.187 1.00 0.00 N ATOM 1036 CA PHE A 71 1.804 -5.439 -12.091 1.00 0.00 C ATOM 1037 C PHE A 71 0.302 -5.209 -12.268 1.00 0.00 C ATOM 1038 O PHE A 71 -0.447 -5.191 -11.293 1.00 0.00 O ATOM 1039 CB PHE A 71 2.026 -6.813 -11.456 1.00 0.00 C ATOM 1040 CG PHE A 71 3.158 -7.619 -12.096 1.00 0.00 C ATOM 1041 CD1 PHE A 71 4.252 -6.980 -12.590 1.00 0.00 C ATOM 1042 CD2 PHE A 71 3.070 -8.974 -12.171 1.00 0.00 C ATOM 1043 CE1 PHE A 71 5.303 -7.728 -13.184 1.00 0.00 C ATOM 1044 CE2 PHE A 71 4.121 -9.722 -12.765 1.00 0.00 C ATOM 1045 CZ PHE A 71 5.215 -9.083 -13.259 1.00 0.00 C ATOM 0 H PHE A 71 2.552 -4.796 -10.241 1.00 0.00 H new ATOM 0 HA PHE A 71 2.274 -5.363 -13.071 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.242 -6.681 -10.396 1.00 0.00 H new ATOM 0 HB3 PHE A 71 1.102 -7.387 -11.524 1.00 0.00 H new ATOM 0 HD1 PHE A 71 4.322 -5.904 -12.531 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.201 -9.481 -11.779 1.00 0.00 H new ATOM 0 HE1 PHE A 71 6.172 -7.221 -13.576 1.00 0.00 H new ATOM 0 HE2 PHE A 71 4.051 -10.798 -12.824 1.00 0.00 H new ATOM 0 HZ PHE A 71 6.014 -9.652 -13.711 1.00 0.00 H new ATOM 1055 N ASN A 72 -0.094 -5.039 -13.521 1.00 0.00 N ATOM 1056 CA ASN A 72 -1.494 -4.811 -13.840 1.00 0.00 C ATOM 1057 C ASN A 72 -2.256 -6.135 -13.745 1.00 0.00 C ATOM 1058 O ASN A 72 -3.485 -6.146 -13.709 1.00 0.00 O ATOM 1059 CB ASN A 72 -1.654 -4.274 -15.263 1.00 0.00 C ATOM 1060 CG ASN A 72 -1.055 -5.242 -16.285 1.00 0.00 C ATOM 1061 OD1 ASN A 72 -0.352 -6.181 -15.951 1.00 0.00 O ATOM 1062 ND2 ASN A 72 -1.371 -4.961 -17.546 1.00 0.00 N ATOM 0 H ASN A 72 0.530 -5.055 -14.328 1.00 0.00 H new ATOM 0 HA ASN A 72 -1.887 -4.080 -13.133 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.711 -4.118 -15.480 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.165 -3.303 -15.346 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -1.020 -5.548 -18.303 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -1.965 -4.159 -17.756 1.00 0.00 H new ATOM 1069 N GLN A 73 -1.494 -7.218 -13.707 1.00 0.00 N ATOM 1070 CA GLN A 73 -2.083 -8.544 -13.617 1.00 0.00 C ATOM 1071 C GLN A 73 -1.379 -9.364 -12.534 1.00 0.00 C ATOM 1072 O GLN A 73 -0.367 -8.934 -11.983 1.00 0.00 O ATOM 1073 CB GLN A 73 -2.030 -9.260 -14.968 1.00 0.00 C ATOM 1074 CG GLN A 73 -2.901 -8.543 -16.002 1.00 0.00 C ATOM 1075 CD GLN A 73 -2.940 -9.321 -17.320 1.00 0.00 C ATOM 1076 OE1 GLN A 73 -2.363 -8.927 -18.320 1.00 0.00 O ATOM 1077 NE2 GLN A 73 -3.651 -10.444 -17.264 1.00 0.00 N ATOM 0 H GLN A 73 -0.475 -7.205 -13.737 1.00 0.00 H new ATOM 0 HA GLN A 73 -3.132 -8.437 -13.341 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -1.000 -9.302 -15.321 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -2.370 -10.289 -14.852 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -3.913 -8.428 -15.613 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -2.511 -7.540 -16.179 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -4.109 -10.715 -16.394 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -3.738 -11.034 -18.091 1.00 0.00 H new ATOM 1086 N LEU A 74 -1.943 -10.532 -12.262 1.00 0.00 N ATOM 1087 CA LEU A 74 -1.383 -11.417 -11.254 1.00 0.00 C ATOM 1088 C LEU A 74 -0.734 -12.619 -11.943 1.00 0.00 C ATOM 1089 O LEU A 74 -0.916 -12.826 -13.141 1.00 0.00 O ATOM 1090 CB LEU A 74 -2.447 -11.798 -10.224 1.00 0.00 C ATOM 1091 CG LEU A 74 -2.063 -11.597 -8.757 1.00 0.00 C ATOM 1092 CD1 LEU A 74 -3.253 -11.083 -7.944 1.00 0.00 C ATOM 1093 CD2 LEU A 74 -1.476 -12.879 -8.163 1.00 0.00 C ATOM 0 H LEU A 74 -2.782 -10.886 -12.722 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.599 -10.909 -10.693 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.346 -11.215 -10.427 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.707 -12.846 -10.370 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.286 -10.834 -8.709 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.953 -10.949 -6.905 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.587 -10.129 -8.351 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.068 -11.805 -7.996 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.211 -12.709 -7.119 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.213 -13.679 -8.224 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.584 -13.164 -8.721 1.00 0.00 H new ATOM 1105 N ASN A 75 0.010 -13.382 -11.154 1.00 0.00 N ATOM 1106 CA ASN A 75 0.686 -14.558 -11.672 1.00 0.00 C ATOM 1107 C ASN A 75 1.723 -15.035 -10.653 1.00 0.00 C ATOM 1108 O ASN A 75 1.802 -14.503 -9.547 1.00 0.00 O ATOM 1109 CB ASN A 75 1.418 -14.242 -12.978 1.00 0.00 C ATOM 1110 CG ASN A 75 1.845 -12.774 -13.026 1.00 0.00 C ATOM 1111 OD1 ASN A 75 2.560 -12.280 -12.170 1.00 0.00 O ATOM 1112 ND2 ASN A 75 1.368 -12.106 -14.073 1.00 0.00 N ATOM 0 H ASN A 75 0.159 -13.208 -10.160 1.00 0.00 H new ATOM 0 HA ASN A 75 -0.066 -15.325 -11.856 1.00 0.00 H new ATOM 0 HB2 ASN A 75 2.295 -14.883 -13.072 1.00 0.00 H new ATOM 0 HB3 ASN A 75 0.769 -14.464 -13.825 1.00 0.00 H new ATOM 0 HD21 ASN A 75 1.596 -11.119 -14.195 1.00 0.00 H new ATOM 0 HD22 ASN A 75 0.774 -12.580 -14.753 1.00 0.00 H new ATOM 1119 N GLU A 76 2.492 -16.034 -11.062 1.00 0.00 N ATOM 1120 CA GLU A 76 3.520 -16.589 -10.198 1.00 0.00 C ATOM 1121 C GLU A 76 4.700 -15.621 -10.089 1.00 0.00 C ATOM 1122 O GLU A 76 5.653 -15.879 -9.354 1.00 0.00 O ATOM 1123 CB GLU A 76 3.979 -17.959 -10.702 1.00 0.00 C ATOM 1124 CG GLU A 76 2.781 -18.853 -11.027 1.00 0.00 C ATOM 1125 CD GLU A 76 3.239 -20.215 -11.552 1.00 0.00 C ATOM 1126 OE1 GLU A 76 4.043 -20.212 -12.510 1.00 0.00 O ATOM 1127 OE2 GLU A 76 2.777 -21.228 -10.984 1.00 0.00 O ATOM 0 H GLU A 76 2.424 -16.473 -11.980 1.00 0.00 H new ATOM 0 HA GLU A 76 3.096 -16.728 -9.204 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.597 -17.835 -11.591 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.601 -18.439 -9.946 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.172 -18.990 -10.133 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.151 -18.366 -11.771 1.00 0.00 H new ATOM 1134 N ASP A 77 4.599 -14.528 -10.831 1.00 0.00 N ATOM 1135 CA ASP A 77 5.646 -13.521 -10.826 1.00 0.00 C ATOM 1136 C ASP A 77 5.445 -12.587 -9.631 1.00 0.00 C ATOM 1137 O ASP A 77 6.401 -12.246 -8.937 1.00 0.00 O ATOM 1138 CB ASP A 77 5.602 -12.675 -12.100 1.00 0.00 C ATOM 1139 CG ASP A 77 6.777 -12.885 -13.057 1.00 0.00 C ATOM 1140 OD1 ASP A 77 6.754 -13.913 -13.768 1.00 0.00 O ATOM 1141 OD2 ASP A 77 7.673 -12.013 -13.057 1.00 0.00 O ATOM 0 H ASP A 77 3.808 -14.318 -11.440 1.00 0.00 H new ATOM 0 HA ASP A 77 6.606 -14.034 -10.766 1.00 0.00 H new ATOM 0 HB2 ASP A 77 4.676 -12.894 -12.632 1.00 0.00 H new ATOM 0 HB3 ASP A 77 5.566 -11.623 -11.818 1.00 0.00 H new ATOM 1146 N VAL A 78 4.194 -12.200 -9.428 1.00 0.00 N ATOM 1147 CA VAL A 78 3.855 -11.312 -8.329 1.00 0.00 C ATOM 1148 C VAL A 78 4.556 -11.792 -7.056 1.00 0.00 C ATOM 1149 O VAL A 78 4.498 -12.974 -6.720 1.00 0.00 O ATOM 1150 CB VAL A 78 2.335 -11.224 -8.177 1.00 0.00 C ATOM 1151 CG1 VAL A 78 1.954 -10.448 -6.915 1.00 0.00 C ATOM 1152 CG2 VAL A 78 1.696 -10.600 -9.419 1.00 0.00 C ATOM 0 H VAL A 78 3.403 -12.485 -10.006 1.00 0.00 H new ATOM 0 HA VAL A 78 4.207 -10.301 -8.533 1.00 0.00 H new ATOM 0 HB VAL A 78 1.949 -12.238 -8.075 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.868 -10.400 -6.831 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.364 -10.953 -6.040 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.358 -9.437 -6.973 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.615 -10.549 -9.286 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.091 -9.595 -9.566 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.925 -11.211 -10.292 1.00 0.00 H new ATOM 1162 N THR A 79 5.202 -10.851 -6.384 1.00 0.00 N ATOM 1163 CA THR A 79 5.913 -11.163 -5.156 1.00 0.00 C ATOM 1164 C THR A 79 5.135 -10.648 -3.943 1.00 0.00 C ATOM 1165 O THR A 79 5.399 -11.055 -2.813 1.00 0.00 O ATOM 1166 CB THR A 79 7.323 -10.581 -5.265 1.00 0.00 C ATOM 1167 OG1 THR A 79 7.109 -9.190 -5.486 1.00 0.00 O ATOM 1168 CG2 THR A 79 8.054 -11.050 -6.525 1.00 0.00 C ATOM 0 H THR A 79 5.248 -9.872 -6.667 1.00 0.00 H new ATOM 0 HA THR A 79 6.001 -12.240 -5.013 1.00 0.00 H new ATOM 0 HB THR A 79 7.900 -10.862 -4.384 1.00 0.00 H new ATOM 0 HG1 THR A 79 6.807 -9.048 -6.407 1.00 0.00 H new ATOM 0 HG21 THR A 79 9.050 -10.608 -6.554 1.00 0.00 H new ATOM 0 HG22 THR A 79 8.139 -12.137 -6.513 1.00 0.00 H new ATOM 0 HG23 THR A 79 7.494 -10.740 -7.407 1.00 0.00 H new ATOM 1176 N HIS A 80 4.192 -9.759 -4.220 1.00 0.00 N ATOM 1177 CA HIS A 80 3.374 -9.184 -3.166 1.00 0.00 C ATOM 1178 C HIS A 80 2.105 -8.581 -3.772 1.00 0.00 C ATOM 1179 O HIS A 80 2.145 -8.004 -4.857 1.00 0.00 O ATOM 1180 CB HIS A 80 4.177 -8.172 -2.346 1.00 0.00 C ATOM 1181 CG HIS A 80 5.626 -8.551 -2.153 1.00 0.00 C ATOM 1182 ND1 HIS A 80 6.556 -8.506 -3.178 1.00 0.00 N ATOM 1183 CD2 HIS A 80 6.296 -8.979 -1.044 1.00 0.00 C ATOM 1184 CE1 HIS A 80 7.728 -8.894 -2.696 1.00 0.00 C ATOM 1185 NE2 HIS A 80 7.564 -9.187 -1.374 1.00 0.00 N ATOM 0 H HIS A 80 3.977 -9.423 -5.159 1.00 0.00 H new ATOM 0 HA HIS A 80 3.068 -9.966 -2.472 1.00 0.00 H new ATOM 0 HB2 HIS A 80 4.128 -7.201 -2.838 1.00 0.00 H new ATOM 0 HB3 HIS A 80 3.708 -8.058 -1.368 1.00 0.00 H new ATOM 0 HD1 HIS A 80 6.371 -8.223 -4.140 1.00 0.00 H new ATOM 0 HD2 HIS A 80 5.867 -9.124 -0.064 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.651 -8.966 -3.252 1.00 0.00 H new ATOM 1193 N VAL A 81 1.009 -8.736 -3.044 1.00 0.00 N ATOM 1194 CA VAL A 81 -0.270 -8.215 -3.497 1.00 0.00 C ATOM 1195 C VAL A 81 -0.843 -7.282 -2.427 1.00 0.00 C ATOM 1196 O VAL A 81 -1.294 -7.738 -1.378 1.00 0.00 O ATOM 1197 CB VAL A 81 -1.210 -9.369 -3.850 1.00 0.00 C ATOM 1198 CG1 VAL A 81 -2.502 -8.849 -4.484 1.00 0.00 C ATOM 1199 CG2 VAL A 81 -0.518 -10.380 -4.765 1.00 0.00 C ATOM 0 H VAL A 81 0.980 -9.215 -2.144 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.143 -7.628 -4.407 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.474 -9.881 -2.925 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.153 -9.689 -4.725 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.010 -8.186 -3.783 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.265 -8.300 -5.395 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.208 -11.190 -5.000 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.211 -9.886 -5.687 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.359 -10.786 -4.261 1.00 0.00 H new ATOM 1209 N ILE A 82 -0.806 -5.993 -2.731 1.00 0.00 N ATOM 1210 CA ILE A 82 -1.315 -4.992 -1.809 1.00 0.00 C ATOM 1211 C ILE A 82 -2.845 -5.003 -1.846 1.00 0.00 C ATOM 1212 O ILE A 82 -3.451 -4.470 -2.774 1.00 0.00 O ATOM 1213 CB ILE A 82 -0.703 -3.623 -2.111 1.00 0.00 C ATOM 1214 CG1 ILE A 82 0.815 -3.726 -2.274 1.00 0.00 C ATOM 1215 CG2 ILE A 82 -1.097 -2.598 -1.046 1.00 0.00 C ATOM 1216 CD1 ILE A 82 1.533 -3.342 -0.978 1.00 0.00 C ATOM 0 H ILE A 82 -0.431 -5.619 -3.603 1.00 0.00 H new ATOM 0 HA ILE A 82 -1.018 -5.229 -0.788 1.00 0.00 H new ATOM 0 HB ILE A 82 -1.106 -3.271 -3.060 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.086 -4.743 -2.556 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.143 -3.073 -3.083 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -0.648 -1.634 -1.285 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.182 -2.497 -1.022 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -0.742 -2.931 -0.071 1.00 0.00 H new ATOM 0 HD11 ILE A 82 2.610 -3.424 -1.121 1.00 0.00 H new ATOM 0 HD12 ILE A 82 1.279 -2.316 -0.712 1.00 0.00 H new ATOM 0 HD13 ILE A 82 1.221 -4.012 -0.177 1.00 0.00 H new ATOM 1228 N VAL A 83 -3.425 -5.616 -0.824 1.00 0.00 N ATOM 1229 CA VAL A 83 -4.873 -5.703 -0.728 1.00 0.00 C ATOM 1230 C VAL A 83 -5.391 -4.562 0.149 1.00 0.00 C ATOM 1231 O VAL A 83 -5.098 -4.509 1.342 1.00 0.00 O ATOM 1232 CB VAL A 83 -5.281 -7.085 -0.214 1.00 0.00 C ATOM 1233 CG1 VAL A 83 -6.801 -7.196 -0.089 1.00 0.00 C ATOM 1234 CG2 VAL A 83 -4.722 -8.191 -1.112 1.00 0.00 C ATOM 0 H VAL A 83 -2.919 -6.057 -0.056 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.329 -5.589 -1.712 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.853 -7.213 0.780 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.064 -8.188 0.278 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.165 -6.442 0.609 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.259 -7.037 -1.065 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.027 -9.163 -0.724 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.107 -8.067 -2.124 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.634 -8.132 -1.128 1.00 0.00 H new ATOM 1244 N GLY A 84 -6.152 -3.676 -0.477 1.00 0.00 N ATOM 1245 CA GLY A 84 -6.714 -2.539 0.232 1.00 0.00 C ATOM 1246 C GLY A 84 -7.887 -2.968 1.116 1.00 0.00 C ATOM 1247 O GLY A 84 -7.771 -2.989 2.340 1.00 0.00 O ATOM 0 H GLY A 84 -6.392 -3.723 -1.467 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -5.944 -2.072 0.846 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.049 -1.789 -0.484 1.00 0.00 H new ATOM 1251 N ASP A 85 -8.989 -3.301 0.461 1.00 0.00 N ATOM 1252 CA ASP A 85 -10.182 -3.730 1.172 1.00 0.00 C ATOM 1253 C ASP A 85 -10.355 -5.241 1.005 1.00 0.00 C ATOM 1254 O ASP A 85 -10.818 -5.921 1.919 1.00 0.00 O ATOM 1255 CB ASP A 85 -11.431 -3.046 0.613 1.00 0.00 C ATOM 1256 CG ASP A 85 -11.681 -1.630 1.135 1.00 0.00 C ATOM 1257 OD1 ASP A 85 -11.792 -1.492 2.373 1.00 0.00 O ATOM 1258 OD2 ASP A 85 -11.756 -0.716 0.285 1.00 0.00 O ATOM 0 H ASP A 85 -9.081 -3.283 -0.555 1.00 0.00 H new ATOM 0 HA ASP A 85 -10.063 -3.463 2.222 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.350 -3.008 -0.473 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -12.299 -3.662 0.847 1.00 0.00 H new ATOM 1263 N TYR A 86 -9.973 -5.722 -0.169 1.00 0.00 N ATOM 1264 CA TYR A 86 -10.081 -7.140 -0.468 1.00 0.00 C ATOM 1265 C TYR A 86 -9.493 -7.456 -1.844 1.00 0.00 C ATOM 1266 O TYR A 86 -9.277 -6.555 -2.653 1.00 0.00 O ATOM 1267 CB TYR A 86 -11.578 -7.455 -0.481 1.00 0.00 C ATOM 1268 CG TYR A 86 -12.325 -6.878 -1.684 1.00 0.00 C ATOM 1269 CD1 TYR A 86 -12.532 -5.516 -1.779 1.00 0.00 C ATOM 1270 CD2 TYR A 86 -12.792 -7.717 -2.674 1.00 0.00 C ATOM 1271 CE1 TYR A 86 -13.235 -4.972 -2.912 1.00 0.00 C ATOM 1272 CE2 TYR A 86 -13.496 -7.173 -3.807 1.00 0.00 C ATOM 1273 CZ TYR A 86 -13.683 -5.828 -3.870 1.00 0.00 C ATOM 1274 OH TYR A 86 -14.347 -5.314 -4.940 1.00 0.00 O ATOM 0 H TYR A 86 -9.588 -5.155 -0.925 1.00 0.00 H new ATOM 0 HA TYR A 86 -9.536 -7.731 0.268 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -11.711 -8.537 -0.468 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -12.028 -7.068 0.433 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -12.167 -4.859 -1.004 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -12.630 -8.782 -2.600 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -13.403 -3.909 -2.999 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -13.867 -7.819 -4.589 1.00 0.00 H new ATOM 0 HH TYR A 86 -14.607 -6.041 -5.544 1.00 0.00 H new ATOM 1284 N ASP A 87 -9.250 -8.739 -2.068 1.00 0.00 N ATOM 1285 CA ASP A 87 -8.691 -9.186 -3.332 1.00 0.00 C ATOM 1286 C ASP A 87 -9.518 -10.358 -3.864 1.00 0.00 C ATOM 1287 O ASP A 87 -9.587 -11.411 -3.232 1.00 0.00 O ATOM 1288 CB ASP A 87 -7.248 -9.665 -3.158 1.00 0.00 C ATOM 1289 CG ASP A 87 -7.025 -10.638 -1.998 1.00 0.00 C ATOM 1290 OD1 ASP A 87 -7.174 -10.185 -0.842 1.00 0.00 O ATOM 1291 OD2 ASP A 87 -6.712 -11.811 -2.293 1.00 0.00 O ATOM 0 H ASP A 87 -9.430 -9.484 -1.395 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.710 -8.345 -4.025 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.927 -10.145 -4.082 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.608 -8.795 -3.011 1.00 0.00 H new ATOM 1296 N ASP A 88 -10.123 -10.136 -5.022 1.00 0.00 N ATOM 1297 CA ASP A 88 -10.943 -11.161 -5.646 1.00 0.00 C ATOM 1298 C ASP A 88 -10.082 -11.976 -6.614 1.00 0.00 C ATOM 1299 O ASP A 88 -9.991 -13.196 -6.492 1.00 0.00 O ATOM 1300 CB ASP A 88 -12.091 -10.539 -6.443 1.00 0.00 C ATOM 1301 CG ASP A 88 -13.387 -10.334 -5.657 1.00 0.00 C ATOM 1302 OD1 ASP A 88 -13.347 -10.560 -4.428 1.00 0.00 O ATOM 1303 OD2 ASP A 88 -14.389 -9.955 -6.302 1.00 0.00 O ATOM 0 H ASP A 88 -10.062 -9.262 -5.544 1.00 0.00 H new ATOM 0 HA ASP A 88 -11.353 -11.792 -4.857 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -11.763 -9.575 -6.832 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -12.302 -11.174 -7.303 1.00 0.00 H new ATOM 1308 N GLU A 89 -9.474 -11.268 -7.554 1.00 0.00 N ATOM 1309 CA GLU A 89 -8.624 -11.910 -8.543 1.00 0.00 C ATOM 1310 C GLU A 89 -7.746 -12.972 -7.878 1.00 0.00 C ATOM 1311 O GLU A 89 -7.686 -14.111 -8.340 1.00 0.00 O ATOM 1312 CB GLU A 89 -7.771 -10.879 -9.285 1.00 0.00 C ATOM 1313 CG GLU A 89 -7.841 -11.098 -10.798 1.00 0.00 C ATOM 1314 CD GLU A 89 -7.601 -9.789 -11.553 1.00 0.00 C ATOM 1315 OE1 GLU A 89 -8.570 -9.006 -11.653 1.00 0.00 O ATOM 1316 OE2 GLU A 89 -6.454 -9.600 -12.012 1.00 0.00 O ATOM 0 H GLU A 89 -9.553 -10.256 -7.652 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.261 -12.402 -9.278 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.116 -9.874 -9.043 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.736 -10.950 -8.951 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.097 -11.836 -11.097 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.817 -11.503 -11.066 1.00 0.00 H new ATOM 1323 N LEU A 90 -7.086 -12.562 -6.805 1.00 0.00 N ATOM 1324 CA LEU A 90 -6.214 -13.463 -6.072 1.00 0.00 C ATOM 1325 C LEU A 90 -6.947 -14.783 -5.822 1.00 0.00 C ATOM 1326 O LEU A 90 -6.499 -15.840 -6.266 1.00 0.00 O ATOM 1327 CB LEU A 90 -5.701 -12.794 -4.796 1.00 0.00 C ATOM 1328 CG LEU A 90 -4.188 -12.844 -4.574 1.00 0.00 C ATOM 1329 CD1 LEU A 90 -3.701 -11.598 -3.832 1.00 0.00 C ATOM 1330 CD2 LEU A 90 -3.782 -14.133 -3.856 1.00 0.00 C ATOM 0 H LEU A 90 -7.138 -11.617 -6.425 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.326 -13.696 -6.660 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -6.012 -11.749 -4.807 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.189 -13.263 -3.942 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.700 -12.850 -5.549 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.622 -11.659 -3.687 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.939 -10.710 -4.417 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.194 -11.536 -2.862 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.702 -14.144 -3.710 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.279 -14.182 -2.887 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.075 -14.993 -4.458 1.00 0.00 H new ATOM 1342 N LYS A 91 -8.060 -14.680 -5.112 1.00 0.00 N ATOM 1343 CA LYS A 91 -8.859 -15.852 -4.798 1.00 0.00 C ATOM 1344 C LYS A 91 -8.878 -16.790 -6.006 1.00 0.00 C ATOM 1345 O LYS A 91 -8.774 -18.006 -5.855 1.00 0.00 O ATOM 1346 CB LYS A 91 -10.252 -15.439 -4.318 1.00 0.00 C ATOM 1347 CG LYS A 91 -10.201 -14.898 -2.888 1.00 0.00 C ATOM 1348 CD LYS A 91 -11.472 -14.116 -2.551 1.00 0.00 C ATOM 1349 CE LYS A 91 -11.386 -13.504 -1.152 1.00 0.00 C ATOM 1350 NZ LYS A 91 -12.711 -13.005 -0.721 1.00 0.00 N ATOM 0 H LYS A 91 -8.428 -13.802 -4.745 1.00 0.00 H new ATOM 0 HA LYS A 91 -8.414 -16.405 -3.971 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.659 -14.678 -4.984 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -10.925 -16.295 -4.363 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.082 -15.724 -2.187 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.331 -14.252 -2.771 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -11.624 -13.327 -3.288 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -12.336 -14.778 -2.610 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -11.024 -14.250 -0.444 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.665 -12.687 -1.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -12.634 -12.593 0.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -13.042 -12.278 -1.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -13.390 -13.793 -0.703 1.00 0.00 H new ATOM 1364 N GLN A 92 -9.012 -16.189 -7.179 1.00 0.00 N ATOM 1365 CA GLN A 92 -9.047 -16.955 -8.414 1.00 0.00 C ATOM 1366 C GLN A 92 -7.654 -17.496 -8.741 1.00 0.00 C ATOM 1367 O GLN A 92 -7.502 -18.671 -9.073 1.00 0.00 O ATOM 1368 CB GLN A 92 -9.593 -16.112 -9.568 1.00 0.00 C ATOM 1369 CG GLN A 92 -10.879 -15.391 -9.159 1.00 0.00 C ATOM 1370 CD GLN A 92 -12.080 -15.930 -9.939 1.00 0.00 C ATOM 1371 OE1 GLN A 92 -12.899 -16.678 -9.430 1.00 0.00 O ATOM 1372 NE2 GLN A 92 -12.140 -15.509 -11.199 1.00 0.00 N ATOM 0 H GLN A 92 -9.098 -15.180 -7.301 1.00 0.00 H new ATOM 0 HA GLN A 92 -9.721 -17.800 -8.276 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -8.844 -15.382 -9.876 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -9.788 -16.751 -10.429 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -11.048 -15.519 -8.090 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -10.774 -14.321 -9.339 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -11.421 -14.883 -11.562 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -12.905 -15.812 -11.802 1.00 0.00 H new ATOM 1381 N PHE A 93 -6.671 -16.613 -8.637 1.00 0.00 N ATOM 1382 CA PHE A 93 -5.296 -16.988 -8.918 1.00 0.00 C ATOM 1383 C PHE A 93 -4.829 -18.105 -7.981 1.00 0.00 C ATOM 1384 O PHE A 93 -3.902 -18.845 -8.306 1.00 0.00 O ATOM 1385 CB PHE A 93 -4.436 -15.745 -8.678 1.00 0.00 C ATOM 1386 CG PHE A 93 -2.932 -16.026 -8.644 1.00 0.00 C ATOM 1387 CD1 PHE A 93 -2.277 -16.362 -9.787 1.00 0.00 C ATOM 1388 CD2 PHE A 93 -2.251 -15.940 -7.470 1.00 0.00 C ATOM 1389 CE1 PHE A 93 -0.881 -16.623 -9.755 1.00 0.00 C ATOM 1390 CE2 PHE A 93 -0.856 -16.200 -7.438 1.00 0.00 C ATOM 1391 CZ PHE A 93 -0.200 -16.536 -8.581 1.00 0.00 C ATOM 0 H PHE A 93 -6.800 -15.639 -8.362 1.00 0.00 H new ATOM 0 HA PHE A 93 -5.211 -17.351 -9.942 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -4.642 -15.017 -9.462 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -4.731 -15.288 -7.733 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -2.818 -16.430 -10.719 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -2.772 -15.674 -6.562 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -0.361 -16.890 -10.663 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -0.315 -16.131 -6.506 1.00 0.00 H new ATOM 0 HZ PHE A 93 0.861 -16.734 -8.556 1.00 0.00 H new ATOM 1401 N TRP A 94 -5.494 -18.191 -6.838 1.00 0.00 N ATOM 1402 CA TRP A 94 -5.159 -19.205 -5.853 1.00 0.00 C ATOM 1403 C TRP A 94 -5.670 -20.552 -6.368 1.00 0.00 C ATOM 1404 O TRP A 94 -5.308 -21.601 -5.838 1.00 0.00 O ATOM 1405 CB TRP A 94 -5.719 -18.838 -4.477 1.00 0.00 C ATOM 1406 CG TRP A 94 -4.778 -17.979 -3.630 1.00 0.00 C ATOM 1407 CD1 TRP A 94 -3.442 -17.907 -3.698 1.00 0.00 C ATOM 1408 CD2 TRP A 94 -5.159 -17.068 -2.579 1.00 0.00 C ATOM 1409 NE1 TRP A 94 -2.936 -17.019 -2.771 1.00 0.00 N ATOM 1410 CE2 TRP A 94 -4.013 -16.492 -2.069 1.00 0.00 C ATOM 1411 CE3 TRP A 94 -6.430 -16.740 -2.075 1.00 0.00 C ATOM 1412 CZ2 TRP A 94 -4.024 -15.554 -1.029 1.00 0.00 C ATOM 1413 CZ3 TRP A 94 -6.423 -15.801 -1.036 1.00 0.00 C ATOM 1414 CH2 TRP A 94 -5.279 -15.213 -0.512 1.00 0.00 C ATOM 0 H TRP A 94 -6.263 -17.575 -6.572 1.00 0.00 H new ATOM 0 HA TRP A 94 -4.079 -19.272 -5.719 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -6.660 -18.305 -4.610 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -5.946 -19.755 -3.933 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -2.837 -18.473 -4.391 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -1.952 -16.791 -2.627 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -7.340 -17.178 -2.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -3.113 -15.117 -0.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -7.374 -15.514 -0.612 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -5.358 -14.495 0.291 1.00 0.00 H new ATOM 1425 N ASN A 95 -6.504 -20.479 -7.395 1.00 0.00 N ATOM 1426 CA ASN A 95 -7.069 -21.679 -7.987 1.00 0.00 C ATOM 1427 C ASN A 95 -6.600 -21.796 -9.438 1.00 0.00 C ATOM 1428 O ASN A 95 -7.114 -22.617 -10.196 1.00 0.00 O ATOM 1429 CB ASN A 95 -8.598 -21.626 -7.987 1.00 0.00 C ATOM 1430 CG ASN A 95 -9.196 -23.035 -7.986 1.00 0.00 C ATOM 1431 OD1 ASN A 95 -8.809 -23.901 -7.219 1.00 0.00 O ATOM 1432 ND2 ASN A 95 -10.158 -23.215 -8.886 1.00 0.00 N ATOM 0 H ASN A 95 -6.802 -19.607 -7.832 1.00 0.00 H new ATOM 0 HA ASN A 95 -6.738 -22.534 -7.397 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -8.946 -21.079 -7.111 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -8.946 -21.080 -8.864 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -10.620 -24.121 -8.964 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -10.434 -22.447 -9.498 1.00 0.00 H new ATOM 1439 N LYS A 96 -5.629 -20.963 -9.782 1.00 0.00 N ATOM 1440 CA LYS A 96 -5.085 -20.962 -11.129 1.00 0.00 C ATOM 1441 C LYS A 96 -3.682 -21.573 -11.108 1.00 0.00 C ATOM 1442 O LYS A 96 -3.498 -22.728 -11.488 1.00 0.00 O ATOM 1443 CB LYS A 96 -5.134 -19.554 -11.726 1.00 0.00 C ATOM 1444 CG LYS A 96 -6.578 -19.109 -11.963 1.00 0.00 C ATOM 1445 CD LYS A 96 -6.714 -18.376 -13.298 1.00 0.00 C ATOM 1446 CE LYS A 96 -8.116 -17.784 -13.459 1.00 0.00 C ATOM 1447 NZ LYS A 96 -8.407 -17.519 -14.885 1.00 0.00 N ATOM 0 H LYS A 96 -5.205 -20.284 -9.151 1.00 0.00 H new ATOM 0 HA LYS A 96 -5.694 -21.583 -11.786 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -4.639 -18.853 -11.054 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -4.585 -19.535 -12.667 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -7.236 -19.978 -11.952 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -6.899 -18.456 -11.151 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -5.971 -17.581 -13.358 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -6.510 -19.065 -14.118 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -8.857 -18.473 -13.053 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -8.194 -16.859 -12.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -9.362 -17.118 -14.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -7.711 -16.845 -15.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -8.353 -18.408 -15.421 1.00 0.00 H new ATOM 1461 N SER A 97 -2.728 -20.769 -10.660 1.00 0.00 N ATOM 1462 CA SER A 97 -1.348 -21.216 -10.584 1.00 0.00 C ATOM 1463 C SER A 97 -0.967 -21.495 -9.129 1.00 0.00 C ATOM 1464 O SER A 97 -1.598 -20.978 -8.209 1.00 0.00 O ATOM 1465 CB SER A 97 -0.400 -20.181 -11.192 1.00 0.00 C ATOM 1466 OG SER A 97 -0.538 -20.096 -12.608 1.00 0.00 O ATOM 0 H SER A 97 -2.884 -19.811 -10.346 1.00 0.00 H new ATOM 0 HA SER A 97 -1.255 -22.137 -11.160 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.597 -19.205 -10.749 1.00 0.00 H new ATOM 0 HB3 SER A 97 0.629 -20.442 -10.943 1.00 0.00 H new ATOM 0 HG SER A 97 0.083 -19.423 -12.957 1.00 0.00 H new ATOM 1472 N ALA A 98 0.063 -22.312 -8.967 1.00 0.00 N ATOM 1473 CA ALA A 98 0.536 -22.665 -7.639 1.00 0.00 C ATOM 1474 C ALA A 98 1.603 -21.662 -7.198 1.00 0.00 C ATOM 1475 O ALA A 98 2.771 -21.792 -7.562 1.00 0.00 O ATOM 1476 CB ALA A 98 1.057 -24.104 -7.648 1.00 0.00 C ATOM 0 H ALA A 98 0.583 -22.740 -9.733 1.00 0.00 H new ATOM 0 HA ALA A 98 -0.279 -22.618 -6.917 1.00 0.00 H new ATOM 0 HB1 ALA A 98 1.412 -24.369 -6.652 1.00 0.00 H new ATOM 0 HB2 ALA A 98 0.253 -24.780 -7.938 1.00 0.00 H new ATOM 0 HB3 ALA A 98 1.878 -24.189 -8.360 1.00 0.00 H new ATOM 1482 N HIS A 99 1.165 -20.683 -6.420 1.00 0.00 N ATOM 1483 CA HIS A 99 2.068 -19.658 -5.925 1.00 0.00 C ATOM 1484 C HIS A 99 1.423 -18.933 -4.743 1.00 0.00 C ATOM 1485 O HIS A 99 0.199 -18.863 -4.645 1.00 0.00 O ATOM 1486 CB HIS A 99 2.479 -18.707 -7.051 1.00 0.00 C ATOM 1487 CG HIS A 99 3.290 -17.521 -6.588 1.00 0.00 C ATOM 1488 ND1 HIS A 99 4.541 -17.648 -6.011 1.00 0.00 N ATOM 1489 CD2 HIS A 99 3.016 -16.185 -6.623 1.00 0.00 C ATOM 1490 CE1 HIS A 99 4.990 -16.437 -5.715 1.00 0.00 C ATOM 1491 NE2 HIS A 99 4.043 -15.532 -6.095 1.00 0.00 N ATOM 0 H HIS A 99 0.196 -20.578 -6.120 1.00 0.00 H new ATOM 0 HA HIS A 99 2.987 -20.121 -5.565 1.00 0.00 H new ATOM 0 HB2 HIS A 99 3.057 -19.263 -7.789 1.00 0.00 H new ATOM 0 HB3 HIS A 99 1.582 -18.346 -7.554 1.00 0.00 H new ATOM 0 HD2 HIS A 99 2.115 -15.735 -7.014 1.00 0.00 H new ATOM 0 HE1 HIS A 99 5.939 -16.207 -5.254 1.00 0.00 H new ATOM 0 HE2 HIS A 99 4.113 -14.520 -5.990 1.00 0.00 H new ATOM 1499 N ARG A 100 2.276 -18.413 -3.873 1.00 0.00 N ATOM 1500 CA ARG A 100 1.805 -17.695 -2.700 1.00 0.00 C ATOM 1501 C ARG A 100 2.424 -16.297 -2.649 1.00 0.00 C ATOM 1502 O ARG A 100 3.498 -16.110 -2.080 1.00 0.00 O ATOM 1503 CB ARG A 100 2.157 -18.449 -1.416 1.00 0.00 C ATOM 1504 CG ARG A 100 1.200 -19.621 -1.188 1.00 0.00 C ATOM 1505 CD ARG A 100 0.070 -19.229 -0.233 1.00 0.00 C ATOM 1506 NE ARG A 100 0.051 -20.143 0.931 1.00 0.00 N ATOM 1507 CZ ARG A 100 -0.761 -19.998 1.987 1.00 0.00 C ATOM 1508 NH1 ARG A 100 -1.624 -18.974 2.032 1.00 0.00 N ATOM 1509 NH2 ARG A 100 -0.709 -20.876 2.998 1.00 0.00 N ATOM 0 H ARG A 100 3.291 -18.474 -3.957 1.00 0.00 H new ATOM 0 HA ARG A 100 0.721 -17.613 -2.774 1.00 0.00 H new ATOM 0 HB2 ARG A 100 3.181 -18.817 -1.476 1.00 0.00 H new ATOM 0 HB3 ARG A 100 2.112 -17.768 -0.566 1.00 0.00 H new ATOM 0 HG2 ARG A 100 0.780 -19.943 -2.141 1.00 0.00 H new ATOM 0 HG3 ARG A 100 1.749 -20.469 -0.779 1.00 0.00 H new ATOM 0 HD2 ARG A 100 0.207 -18.201 0.103 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -0.887 -19.269 -0.753 1.00 0.00 H new ATOM 0 HE ARG A 100 0.696 -20.933 0.929 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -1.663 -18.305 1.263 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -2.242 -18.863 2.836 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -0.051 -21.655 2.964 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -1.327 -20.765 3.802 1.00 0.00 H new ATOM 1523 N PRO A 101 1.701 -15.325 -3.267 1.00 0.00 N ATOM 1524 CA PRO A 101 2.167 -13.950 -3.297 1.00 0.00 C ATOM 1525 C PRO A 101 1.975 -13.276 -1.937 1.00 0.00 C ATOM 1526 O PRO A 101 0.956 -13.477 -1.279 1.00 0.00 O ATOM 1527 CB PRO A 101 1.367 -13.287 -4.406 1.00 0.00 C ATOM 1528 CG PRO A 101 0.161 -14.182 -4.642 1.00 0.00 C ATOM 1529 CD PRO A 101 0.424 -15.510 -3.950 1.00 0.00 C ATOM 0 HA PRO A 101 3.236 -13.873 -3.495 1.00 0.00 H new ATOM 0 HB2 PRO A 101 1.057 -12.283 -4.117 1.00 0.00 H new ATOM 0 HB3 PRO A 101 1.964 -13.188 -5.313 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -0.742 -13.718 -4.246 1.00 0.00 H new ATOM 0 HG3 PRO A 101 0.001 -14.333 -5.710 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -0.371 -15.753 -3.245 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.474 -16.328 -4.669 1.00 0.00 H new ATOM 1537 N HIS A 102 2.972 -12.490 -1.556 1.00 0.00 N ATOM 1538 CA HIS A 102 2.926 -11.785 -0.286 1.00 0.00 C ATOM 1539 C HIS A 102 1.749 -10.808 -0.284 1.00 0.00 C ATOM 1540 O HIS A 102 1.847 -9.711 -0.833 1.00 0.00 O ATOM 1541 CB HIS A 102 4.264 -11.103 0.006 1.00 0.00 C ATOM 1542 CG HIS A 102 5.426 -12.059 0.129 1.00 0.00 C ATOM 1543 ND1 HIS A 102 6.624 -12.094 -0.522 1.00 0.00 N flip ATOM 1544 CD2 HIS A 102 5.426 -13.130 1.006 1.00 0.00 C flip ATOM 1545 CE1 HIS A 102 7.319 -13.129 -0.067 1.00 0.00 C flip ATOM 1546 NE2 HIS A 102 6.578 -13.773 0.880 1.00 0.00 N flip ATOM 0 H HIS A 102 3.816 -12.326 -2.105 1.00 0.00 H new ATOM 0 HA HIS A 102 2.764 -12.497 0.523 1.00 0.00 H new ATOM 0 HB2 HIS A 102 4.477 -10.388 -0.789 1.00 0.00 H new ATOM 0 HB3 HIS A 102 4.176 -10.533 0.931 1.00 0.00 H new ATOM 0 HD1 HIS A 102 6.933 -11.436 -1.237 1.00 0.00 H new ATOM 0 HD2 HIS A 102 4.624 -13.396 1.678 1.00 0.00 H new ATOM 0 HE1 HIS A 102 8.308 -13.414 -0.393 1.00 0.00 H new ATOM 1554 N VAL A 103 0.663 -11.240 0.339 1.00 0.00 N ATOM 1555 CA VAL A 103 -0.532 -10.417 0.420 1.00 0.00 C ATOM 1556 C VAL A 103 -0.453 -9.532 1.665 1.00 0.00 C ATOM 1557 O VAL A 103 -0.343 -10.035 2.782 1.00 0.00 O ATOM 1558 CB VAL A 103 -1.780 -11.301 0.393 1.00 0.00 C ATOM 1559 CG1 VAL A 103 -2.214 -11.680 1.810 1.00 0.00 C ATOM 1560 CG2 VAL A 103 -2.920 -10.618 -0.366 1.00 0.00 C ATOM 0 H VAL A 103 0.585 -12.150 0.793 1.00 0.00 H new ATOM 0 HA VAL A 103 -0.600 -9.757 -0.445 1.00 0.00 H new ATOM 0 HB VAL A 103 -1.528 -12.220 -0.137 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -3.103 -12.308 1.762 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -1.410 -12.226 2.303 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -2.439 -10.776 2.376 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -3.795 -11.268 -0.370 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -3.170 -9.676 0.123 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -2.608 -10.423 -1.392 1.00 0.00 H new ATOM 1570 N VAL A 104 -0.512 -8.229 1.431 1.00 0.00 N ATOM 1571 CA VAL A 104 -0.449 -7.269 2.521 1.00 0.00 C ATOM 1572 C VAL A 104 -1.299 -6.047 2.168 1.00 0.00 C ATOM 1573 O VAL A 104 -1.840 -5.960 1.067 1.00 0.00 O ATOM 1574 CB VAL A 104 1.009 -6.916 2.823 1.00 0.00 C ATOM 1575 CG1 VAL A 104 1.780 -8.143 3.313 1.00 0.00 C ATOM 1576 CG2 VAL A 104 1.687 -6.295 1.600 1.00 0.00 C ATOM 0 H VAL A 104 -0.603 -7.815 0.503 1.00 0.00 H new ATOM 0 HA VAL A 104 -0.861 -7.699 3.434 1.00 0.00 H new ATOM 0 HB VAL A 104 1.016 -6.175 3.622 1.00 0.00 H new ATOM 0 HG11 VAL A 104 2.813 -7.865 3.520 1.00 0.00 H new ATOM 0 HG12 VAL A 104 1.317 -8.524 4.223 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.760 -8.916 2.545 1.00 0.00 H new ATOM 0 HG21 VAL A 104 2.722 -6.053 1.841 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.663 -7.003 0.772 1.00 0.00 H new ATOM 0 HG23 VAL A 104 1.159 -5.385 1.314 1.00 0.00 H new ATOM 1586 N GLY A 105 -1.392 -5.135 3.124 1.00 0.00 N ATOM 1587 CA GLY A 105 -2.168 -3.922 2.929 1.00 0.00 C ATOM 1588 C GLY A 105 -1.255 -2.729 2.634 1.00 0.00 C ATOM 1589 O GLY A 105 -0.116 -2.685 3.097 1.00 0.00 O ATOM 0 H GLY A 105 -0.943 -5.212 4.036 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -2.867 -4.062 2.105 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -2.762 -3.719 3.820 1.00 0.00 H new ATOM 1593 N ALA A 106 -1.790 -1.791 1.867 1.00 0.00 N ATOM 1594 CA ALA A 106 -1.038 -0.601 1.505 1.00 0.00 C ATOM 1595 C ALA A 106 -0.274 -0.095 2.730 1.00 0.00 C ATOM 1596 O ALA A 106 0.847 0.396 2.607 1.00 0.00 O ATOM 1597 CB ALA A 106 -1.992 0.452 0.937 1.00 0.00 C ATOM 0 H ALA A 106 -2.735 -1.830 1.486 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.306 -0.829 0.730 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -1.429 1.345 0.665 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -2.489 0.053 0.053 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -2.739 0.709 1.688 1.00 0.00 H new ATOM 1603 N LYS A 107 -0.910 -0.233 3.884 1.00 0.00 N ATOM 1604 CA LYS A 107 -0.304 0.205 5.130 1.00 0.00 C ATOM 1605 C LYS A 107 1.177 -0.181 5.134 1.00 0.00 C ATOM 1606 O LYS A 107 2.032 0.629 5.491 1.00 0.00 O ATOM 1607 CB LYS A 107 -1.085 -0.342 6.327 1.00 0.00 C ATOM 1608 CG LYS A 107 -1.128 0.679 7.466 1.00 0.00 C ATOM 1609 CD LYS A 107 -2.259 0.361 8.445 1.00 0.00 C ATOM 1610 CE LYS A 107 -1.823 0.618 9.889 1.00 0.00 C ATOM 1611 NZ LYS A 107 -2.784 0.012 10.837 1.00 0.00 N ATOM 0 H LYS A 107 -1.839 -0.642 3.982 1.00 0.00 H new ATOM 0 HA LYS A 107 -0.352 1.290 5.217 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -2.100 -0.592 6.020 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -0.622 -1.264 6.678 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -0.175 0.680 7.994 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -1.267 1.680 7.057 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -3.130 0.972 8.210 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -2.560 -0.680 8.332 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -0.829 0.202 10.054 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -1.754 1.691 10.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -2.473 0.196 11.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -3.726 0.428 10.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -2.830 -1.014 10.676 1.00 0.00 H new ATOM 1625 N TRP A 108 1.435 -1.417 4.734 1.00 0.00 N ATOM 1626 CA TRP A 108 2.797 -1.920 4.687 1.00 0.00 C ATOM 1627 C TRP A 108 3.624 -0.965 3.824 1.00 0.00 C ATOM 1628 O TRP A 108 4.499 -0.264 4.331 1.00 0.00 O ATOM 1629 CB TRP A 108 2.832 -3.363 4.182 1.00 0.00 C ATOM 1630 CG TRP A 108 4.237 -3.875 3.856 1.00 0.00 C ATOM 1631 CD1 TRP A 108 5.193 -4.264 4.711 1.00 0.00 C ATOM 1632 CD2 TRP A 108 4.808 -4.039 2.540 1.00 0.00 C ATOM 1633 NE1 TRP A 108 6.334 -4.664 4.045 1.00 0.00 N ATOM 1634 CE2 TRP A 108 6.092 -4.523 2.684 1.00 0.00 C ATOM 1635 CE3 TRP A 108 4.258 -3.786 1.272 1.00 0.00 C ATOM 1636 CZ2 TRP A 108 6.934 -4.796 1.599 1.00 0.00 C ATOM 1637 CZ3 TRP A 108 5.112 -4.064 0.198 1.00 0.00 C ATOM 1638 CH2 TRP A 108 6.407 -4.552 0.325 1.00 0.00 C ATOM 0 H TRP A 108 0.723 -2.086 4.439 1.00 0.00 H new ATOM 0 HA TRP A 108 3.231 -1.951 5.686 1.00 0.00 H new ATOM 0 HB2 TRP A 108 2.386 -4.012 4.936 1.00 0.00 H new ATOM 0 HB3 TRP A 108 2.212 -3.439 3.289 1.00 0.00 H new ATOM 0 HD1 TRP A 108 5.084 -4.264 5.786 1.00 0.00 H new ATOM 0 HE1 TRP A 108 7.196 -5.001 4.473 1.00 0.00 H new ATOM 0 HE3 TRP A 108 3.256 -3.407 1.137 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 7.936 -5.174 1.737 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 4.738 -3.887 -0.800 1.00 0.00 H new ATOM 0 HH2 TRP A 108 7.004 -4.742 -0.555 1.00 0.00 H new ATOM 1649 N LEU A 109 3.318 -0.967 2.535 1.00 0.00 N ATOM 1650 CA LEU A 109 4.022 -0.110 1.597 1.00 0.00 C ATOM 1651 C LEU A 109 4.270 1.253 2.245 1.00 0.00 C ATOM 1652 O LEU A 109 5.396 1.747 2.250 1.00 0.00 O ATOM 1653 CB LEU A 109 3.264 -0.031 0.270 1.00 0.00 C ATOM 1654 CG LEU A 109 4.088 0.386 -0.950 1.00 0.00 C ATOM 1655 CD1 LEU A 109 5.326 -0.499 -1.104 1.00 0.00 C ATOM 1656 CD2 LEU A 109 3.228 0.395 -2.215 1.00 0.00 C ATOM 0 H LEU A 109 2.591 -1.549 2.118 1.00 0.00 H new ATOM 0 HA LEU A 109 4.998 -0.531 1.356 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.822 -1.007 0.069 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.441 0.674 0.386 1.00 0.00 H new ATOM 0 HG LEU A 109 4.439 1.406 -0.793 1.00 0.00 H new ATOM 0 HD11 LEU A 109 5.894 -0.181 -1.978 1.00 0.00 H new ATOM 0 HD12 LEU A 109 5.950 -0.410 -0.214 1.00 0.00 H new ATOM 0 HD13 LEU A 109 5.018 -1.537 -1.229 1.00 0.00 H new ATOM 0 HD21 LEU A 109 3.838 0.695 -3.067 1.00 0.00 H new ATOM 0 HD22 LEU A 109 2.827 -0.603 -2.389 1.00 0.00 H new ATOM 0 HD23 LEU A 109 2.406 1.100 -2.091 1.00 0.00 H new ATOM 1668 N LEU A 110 3.199 1.823 2.777 1.00 0.00 N ATOM 1669 CA LEU A 110 3.286 3.120 3.427 1.00 0.00 C ATOM 1670 C LEU A 110 4.451 3.111 4.419 1.00 0.00 C ATOM 1671 O LEU A 110 5.351 3.945 4.332 1.00 0.00 O ATOM 1672 CB LEU A 110 1.943 3.494 4.059 1.00 0.00 C ATOM 1673 CG LEU A 110 0.746 3.548 3.108 1.00 0.00 C ATOM 1674 CD1 LEU A 110 -0.557 3.771 3.878 1.00 0.00 C ATOM 1675 CD2 LEU A 110 0.957 4.603 2.021 1.00 0.00 C ATOM 0 H LEU A 110 2.266 1.411 2.771 1.00 0.00 H new ATOM 0 HA LEU A 110 3.496 3.900 2.695 1.00 0.00 H new ATOM 0 HB2 LEU A 110 1.723 2.775 4.848 1.00 0.00 H new ATOM 0 HB3 LEU A 110 2.047 4.469 4.536 1.00 0.00 H new ATOM 0 HG LEU A 110 0.663 2.583 2.608 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -1.392 3.805 3.178 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -0.708 2.953 4.583 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -0.501 4.714 4.423 1.00 0.00 H new ATOM 0 HD21 LEU A 110 0.092 4.621 1.358 1.00 0.00 H new ATOM 0 HD22 LEU A 110 1.080 5.582 2.483 1.00 0.00 H new ATOM 0 HD23 LEU A 110 1.850 4.359 1.445 1.00 0.00 H new ATOM 1687 N GLU A 111 4.396 2.159 5.339 1.00 0.00 N ATOM 1688 CA GLU A 111 5.436 2.031 6.346 1.00 0.00 C ATOM 1689 C GLU A 111 6.790 1.772 5.681 1.00 0.00 C ATOM 1690 O GLU A 111 7.819 2.251 6.154 1.00 0.00 O ATOM 1691 CB GLU A 111 5.096 0.925 7.347 1.00 0.00 C ATOM 1692 CG GLU A 111 3.698 1.128 7.934 1.00 0.00 C ATOM 1693 CD GLU A 111 3.769 1.826 9.293 1.00 0.00 C ATOM 1694 OE1 GLU A 111 3.789 3.076 9.288 1.00 0.00 O ATOM 1695 OE2 GLU A 111 3.803 1.095 10.306 1.00 0.00 O ATOM 0 H GLU A 111 3.648 1.469 5.408 1.00 0.00 H new ATOM 0 HA GLU A 111 5.498 2.969 6.898 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.150 -0.046 6.854 1.00 0.00 H new ATOM 0 HB3 GLU A 111 5.834 0.916 8.149 1.00 0.00 H new ATOM 0 HG2 GLU A 111 3.094 1.722 7.248 1.00 0.00 H new ATOM 0 HG3 GLU A 111 3.202 0.164 8.042 1.00 0.00 H new ATOM 1702 N CYS A 112 6.744 1.014 4.595 1.00 0.00 N ATOM 1703 CA CYS A 112 7.954 0.686 3.861 1.00 0.00 C ATOM 1704 C CYS A 112 8.620 1.992 3.424 1.00 0.00 C ATOM 1705 O CYS A 112 9.769 2.256 3.777 1.00 0.00 O ATOM 1706 CB CYS A 112 7.663 -0.232 2.672 1.00 0.00 C ATOM 1707 SG CYS A 112 6.650 -1.657 3.215 1.00 0.00 S ATOM 0 H CYS A 112 5.888 0.618 4.206 1.00 0.00 H new ATOM 0 HA CYS A 112 8.635 0.131 4.507 1.00 0.00 H new ATOM 0 HB2 CYS A 112 7.138 0.322 1.894 1.00 0.00 H new ATOM 0 HB3 CYS A 112 8.598 -0.585 2.237 1.00 0.00 H new ATOM 0 HG CYS A 112 6.809 -2.644 2.384 1.00 0.00 H new ATOM 1713 N PHE A 113 7.871 2.775 2.661 1.00 0.00 N ATOM 1714 CA PHE A 113 8.375 4.047 2.172 1.00 0.00 C ATOM 1715 C PHE A 113 8.571 5.037 3.322 1.00 0.00 C ATOM 1716 O PHE A 113 9.485 5.860 3.288 1.00 0.00 O ATOM 1717 CB PHE A 113 7.324 4.603 1.209 1.00 0.00 C ATOM 1718 CG PHE A 113 7.395 4.010 -0.199 1.00 0.00 C ATOM 1719 CD1 PHE A 113 8.285 4.503 -1.101 1.00 0.00 C ATOM 1720 CD2 PHE A 113 6.567 2.989 -0.549 1.00 0.00 C ATOM 1721 CE1 PHE A 113 8.350 3.952 -2.409 1.00 0.00 C ATOM 1722 CE2 PHE A 113 6.633 2.438 -1.856 1.00 0.00 C ATOM 1723 CZ PHE A 113 7.523 2.931 -2.758 1.00 0.00 C ATOM 0 H PHE A 113 6.919 2.553 2.370 1.00 0.00 H new ATOM 0 HA PHE A 113 9.339 3.903 1.684 1.00 0.00 H new ATOM 0 HB2 PHE A 113 6.333 4.415 1.622 1.00 0.00 H new ATOM 0 HB3 PHE A 113 7.442 5.685 1.143 1.00 0.00 H new ATOM 0 HD1 PHE A 113 8.943 5.313 -0.823 1.00 0.00 H new ATOM 0 HD2 PHE A 113 5.860 2.598 0.167 1.00 0.00 H new ATOM 0 HE1 PHE A 113 9.056 4.344 -3.126 1.00 0.00 H new ATOM 0 HE2 PHE A 113 5.976 1.627 -2.134 1.00 0.00 H new ATOM 0 HZ PHE A 113 7.573 2.511 -3.752 1.00 0.00 H new ATOM 1733 N SER A 114 7.699 4.926 4.312 1.00 0.00 N ATOM 1734 CA SER A 114 7.765 5.801 5.470 1.00 0.00 C ATOM 1735 C SER A 114 9.051 5.535 6.254 1.00 0.00 C ATOM 1736 O SER A 114 9.723 6.470 6.687 1.00 0.00 O ATOM 1737 CB SER A 114 6.544 5.613 6.373 1.00 0.00 C ATOM 1738 OG SER A 114 6.475 6.607 7.392 1.00 0.00 O ATOM 0 H SER A 114 6.942 4.243 4.337 1.00 0.00 H new ATOM 0 HA SER A 114 7.768 6.833 5.119 1.00 0.00 H new ATOM 0 HB2 SER A 114 5.637 5.650 5.769 1.00 0.00 H new ATOM 0 HB3 SER A 114 6.581 4.625 6.832 1.00 0.00 H new ATOM 0 HG SER A 114 5.681 6.453 7.946 1.00 0.00 H new ATOM 1744 N LYS A 115 9.355 4.256 6.414 1.00 0.00 N ATOM 1745 CA LYS A 115 10.549 3.855 7.139 1.00 0.00 C ATOM 1746 C LYS A 115 11.765 3.985 6.221 1.00 0.00 C ATOM 1747 O LYS A 115 12.899 4.052 6.693 1.00 0.00 O ATOM 1748 CB LYS A 115 10.372 2.455 7.731 1.00 0.00 C ATOM 1749 CG LYS A 115 9.024 2.327 8.444 1.00 0.00 C ATOM 1750 CD LYS A 115 9.206 2.306 9.963 1.00 0.00 C ATOM 1751 CE LYS A 115 8.563 1.060 10.575 1.00 0.00 C ATOM 1752 NZ LYS A 115 8.507 1.177 12.049 1.00 0.00 N ATOM 0 H LYS A 115 8.795 3.483 6.054 1.00 0.00 H new ATOM 0 HA LYS A 115 10.718 4.516 7.989 1.00 0.00 H new ATOM 0 HB2 LYS A 115 10.440 1.710 6.938 1.00 0.00 H new ATOM 0 HB3 LYS A 115 11.180 2.248 8.433 1.00 0.00 H new ATOM 0 HG2 LYS A 115 8.380 3.160 8.163 1.00 0.00 H new ATOM 0 HG3 LYS A 115 8.523 1.414 8.122 1.00 0.00 H new ATOM 0 HD2 LYS A 115 10.268 2.328 10.206 1.00 0.00 H new ATOM 0 HD3 LYS A 115 8.761 3.201 10.399 1.00 0.00 H new ATOM 0 HE2 LYS A 115 7.557 0.929 10.176 1.00 0.00 H new ATOM 0 HE3 LYS A 115 9.134 0.174 10.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 8.068 0.323 12.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 9.471 1.279 12.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 7.943 2.011 12.310 1.00 0.00 H new ATOM 1766 N GLY A 116 11.488 4.016 4.926 1.00 0.00 N ATOM 1767 CA GLY A 116 12.546 4.137 3.937 1.00 0.00 C ATOM 1768 C GLY A 116 13.071 2.760 3.525 1.00 0.00 C ATOM 1769 O GLY A 116 13.792 2.638 2.536 1.00 0.00 O ATOM 0 H GLY A 116 10.546 3.959 4.538 1.00 0.00 H new ATOM 0 HA2 GLY A 116 12.170 4.664 3.060 1.00 0.00 H new ATOM 0 HA3 GLY A 116 13.362 4.735 4.343 1.00 0.00 H new ATOM 1773 N TYR A 117 12.690 1.759 4.304 1.00 0.00 N ATOM 1774 CA TYR A 117 13.113 0.396 4.032 1.00 0.00 C ATOM 1775 C TYR A 117 11.948 -0.583 4.197 1.00 0.00 C ATOM 1776 O TYR A 117 11.164 -0.468 5.138 1.00 0.00 O ATOM 1777 CB TYR A 117 14.186 0.073 5.074 1.00 0.00 C ATOM 1778 CG TYR A 117 13.629 -0.255 6.460 1.00 0.00 C ATOM 1779 CD1 TYR A 117 13.364 0.762 7.355 1.00 0.00 C ATOM 1780 CD2 TYR A 117 13.392 -1.567 6.817 1.00 0.00 C ATOM 1781 CE1 TYR A 117 12.840 0.454 8.660 1.00 0.00 C ATOM 1782 CE2 TYR A 117 12.868 -1.875 8.122 1.00 0.00 C ATOM 1783 CZ TYR A 117 12.618 -0.850 8.980 1.00 0.00 C ATOM 1784 OH TYR A 117 12.123 -1.141 10.212 1.00 0.00 O ATOM 0 H TYR A 117 12.093 1.865 5.124 1.00 0.00 H new ATOM 0 HA TYR A 117 13.481 0.304 3.010 1.00 0.00 H new ATOM 0 HB2 TYR A 117 14.777 -0.773 4.722 1.00 0.00 H new ATOM 0 HB3 TYR A 117 14.864 0.923 5.158 1.00 0.00 H new ATOM 0 HD1 TYR A 117 13.550 1.789 7.076 1.00 0.00 H new ATOM 0 HD2 TYR A 117 13.600 -2.363 6.117 1.00 0.00 H new ATOM 0 HE1 TYR A 117 12.628 1.240 9.369 1.00 0.00 H new ATOM 0 HE2 TYR A 117 12.678 -2.897 8.413 1.00 0.00 H new ATOM 0 HH TYR A 117 12.014 -2.111 10.300 1.00 0.00 H new ATOM 1794 N MET A 118 11.872 -1.523 3.267 1.00 0.00 N ATOM 1795 CA MET A 118 10.817 -2.522 3.297 1.00 0.00 C ATOM 1796 C MET A 118 10.780 -3.241 4.647 1.00 0.00 C ATOM 1797 O MET A 118 11.820 -3.639 5.170 1.00 0.00 O ATOM 1798 CB MET A 118 11.047 -3.542 2.181 1.00 0.00 C ATOM 1799 CG MET A 118 10.797 -2.918 0.807 1.00 0.00 C ATOM 1800 SD MET A 118 11.498 -3.950 -0.470 1.00 0.00 S ATOM 1801 CE MET A 118 10.317 -5.289 -0.469 1.00 0.00 C ATOM 0 H MET A 118 12.524 -1.614 2.488 1.00 0.00 H new ATOM 0 HA MET A 118 9.862 -2.018 3.149 1.00 0.00 H new ATOM 0 HB2 MET A 118 12.069 -3.919 2.233 1.00 0.00 H new ATOM 0 HB3 MET A 118 10.385 -4.396 2.322 1.00 0.00 H new ATOM 0 HG2 MET A 118 9.726 -2.799 0.642 1.00 0.00 H new ATOM 0 HG3 MET A 118 11.239 -1.923 0.765 1.00 0.00 H new ATOM 0 HE1 MET A 118 10.823 -6.220 -0.213 1.00 0.00 H new ATOM 0 HE2 MET A 118 9.537 -5.086 0.265 1.00 0.00 H new ATOM 0 HE3 MET A 118 9.869 -5.380 -1.459 1.00 0.00 H new ATOM 1811 N LEU A 119 9.572 -3.385 5.172 1.00 0.00 N ATOM 1812 CA LEU A 119 9.387 -4.049 6.451 1.00 0.00 C ATOM 1813 C LEU A 119 8.771 -5.431 6.219 1.00 0.00 C ATOM 1814 O LEU A 119 8.456 -5.791 5.086 1.00 0.00 O ATOM 1815 CB LEU A 119 8.576 -3.166 7.401 1.00 0.00 C ATOM 1816 CG LEU A 119 8.786 -1.657 7.258 1.00 0.00 C ATOM 1817 CD1 LEU A 119 7.564 -0.883 7.756 1.00 0.00 C ATOM 1818 CD2 LEU A 119 10.071 -1.214 7.961 1.00 0.00 C ATOM 0 H LEU A 119 8.712 -3.053 4.735 1.00 0.00 H new ATOM 0 HA LEU A 119 10.348 -4.206 6.941 1.00 0.00 H new ATOM 0 HB2 LEU A 119 7.518 -3.381 7.251 1.00 0.00 H new ATOM 0 HB3 LEU A 119 8.817 -3.451 8.425 1.00 0.00 H new ATOM 0 HG LEU A 119 8.902 -1.427 6.199 1.00 0.00 H new ATOM 0 HD11 LEU A 119 7.740 0.187 7.643 1.00 0.00 H new ATOM 0 HD12 LEU A 119 6.689 -1.170 7.173 1.00 0.00 H new ATOM 0 HD13 LEU A 119 7.391 -1.113 8.807 1.00 0.00 H new ATOM 0 HD21 LEU A 119 10.197 -0.138 7.844 1.00 0.00 H new ATOM 0 HD22 LEU A 119 10.009 -1.459 9.021 1.00 0.00 H new ATOM 0 HD23 LEU A 119 10.924 -1.729 7.519 1.00 0.00 H new ATOM 1830 N SER A 120 8.618 -6.166 7.310 1.00 0.00 N ATOM 1831 CA SER A 120 8.045 -7.499 7.240 1.00 0.00 C ATOM 1832 C SER A 120 6.623 -7.429 6.679 1.00 0.00 C ATOM 1833 O SER A 120 5.874 -6.504 6.990 1.00 0.00 O ATOM 1834 CB SER A 120 8.041 -8.170 8.615 1.00 0.00 C ATOM 1835 OG SER A 120 9.357 -8.320 9.140 1.00 0.00 O ATOM 0 H SER A 120 8.881 -5.864 8.248 1.00 0.00 H new ATOM 0 HA SER A 120 8.662 -8.102 6.574 1.00 0.00 H new ATOM 0 HB2 SER A 120 7.441 -7.578 9.306 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.567 -9.149 8.539 1.00 0.00 H new ATOM 0 HG SER A 120 9.311 -8.751 10.019 1.00 0.00 H new ATOM 1841 N GLU A 121 6.294 -8.419 5.862 1.00 0.00 N ATOM 1842 CA GLU A 121 4.975 -8.482 5.255 1.00 0.00 C ATOM 1843 C GLU A 121 4.057 -9.392 6.073 1.00 0.00 C ATOM 1844 O GLU A 121 2.844 -9.402 5.869 1.00 0.00 O ATOM 1845 CB GLU A 121 5.062 -8.952 3.802 1.00 0.00 C ATOM 1846 CG GLU A 121 5.698 -7.880 2.915 1.00 0.00 C ATOM 1847 CD GLU A 121 4.771 -7.507 1.756 1.00 0.00 C ATOM 1848 OE1 GLU A 121 3.977 -8.387 1.359 1.00 0.00 O ATOM 1849 OE2 GLU A 121 4.878 -6.351 1.294 1.00 0.00 O ATOM 0 H GLU A 121 6.918 -9.184 5.606 1.00 0.00 H new ATOM 0 HA GLU A 121 4.549 -7.479 5.252 1.00 0.00 H new ATOM 0 HB2 GLU A 121 5.649 -9.869 3.747 1.00 0.00 H new ATOM 0 HB3 GLU A 121 4.064 -9.189 3.433 1.00 0.00 H new ATOM 0 HG2 GLU A 121 5.917 -6.993 3.510 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.648 -8.244 2.523 1.00 0.00 H new ATOM 1856 N GLU A 122 4.671 -10.136 6.982 1.00 0.00 N ATOM 1857 CA GLU A 122 3.924 -11.048 7.831 1.00 0.00 C ATOM 1858 C GLU A 122 3.024 -10.265 8.788 1.00 0.00 C ATOM 1859 O GLU A 122 1.860 -10.615 8.978 1.00 0.00 O ATOM 1860 CB GLU A 122 4.866 -11.977 8.600 1.00 0.00 C ATOM 1861 CG GLU A 122 5.297 -13.161 7.732 1.00 0.00 C ATOM 1862 CD GLU A 122 5.816 -14.313 8.595 1.00 0.00 C ATOM 1863 OE1 GLU A 122 5.358 -14.404 9.754 1.00 0.00 O ATOM 1864 OE2 GLU A 122 6.659 -15.076 8.076 1.00 0.00 O ATOM 0 H GLU A 122 5.677 -10.126 7.149 1.00 0.00 H new ATOM 0 HA GLU A 122 3.292 -11.670 7.196 1.00 0.00 H new ATOM 0 HB2 GLU A 122 5.745 -11.421 8.926 1.00 0.00 H new ATOM 0 HB3 GLU A 122 4.369 -12.342 9.499 1.00 0.00 H new ATOM 0 HG2 GLU A 122 4.454 -13.503 7.132 1.00 0.00 H new ATOM 0 HG3 GLU A 122 6.075 -12.843 7.037 1.00 0.00 H new ATOM 1871 N PRO A 123 3.612 -9.192 9.382 1.00 0.00 N ATOM 1872 CA PRO A 123 2.876 -8.356 10.315 1.00 0.00 C ATOM 1873 C PRO A 123 1.887 -7.450 9.578 1.00 0.00 C ATOM 1874 O PRO A 123 1.200 -6.641 10.199 1.00 0.00 O ATOM 1875 CB PRO A 123 3.941 -7.581 11.073 1.00 0.00 C ATOM 1876 CG PRO A 123 5.199 -7.663 10.225 1.00 0.00 C ATOM 1877 CD PRO A 123 4.988 -8.748 9.181 1.00 0.00 C ATOM 0 HA PRO A 123 2.259 -8.935 11.002 1.00 0.00 H new ATOM 0 HB2 PRO A 123 3.638 -6.545 11.223 1.00 0.00 H new ATOM 0 HB3 PRO A 123 4.107 -8.010 12.061 1.00 0.00 H new ATOM 0 HG2 PRO A 123 5.399 -6.705 9.745 1.00 0.00 H new ATOM 0 HG3 PRO A 123 6.064 -7.894 10.847 1.00 0.00 H new ATOM 0 HD2 PRO A 123 5.136 -8.362 8.173 1.00 0.00 H new ATOM 0 HD3 PRO A 123 5.693 -9.569 9.315 1.00 0.00 H new ATOM 1885 N TYR A 124 1.848 -7.617 8.264 1.00 0.00 N ATOM 1886 CA TYR A 124 0.955 -6.824 7.436 1.00 0.00 C ATOM 1887 C TYR A 124 0.272 -7.693 6.379 1.00 0.00 C ATOM 1888 O TYR A 124 0.068 -7.256 5.247 1.00 0.00 O ATOM 1889 CB TYR A 124 1.838 -5.789 6.735 1.00 0.00 C ATOM 1890 CG TYR A 124 2.340 -4.675 7.655 1.00 0.00 C ATOM 1891 CD1 TYR A 124 1.565 -3.553 7.866 1.00 0.00 C ATOM 1892 CD2 TYR A 124 3.569 -4.791 8.273 1.00 0.00 C ATOM 1893 CE1 TYR A 124 2.038 -2.503 8.731 1.00 0.00 C ATOM 1894 CE2 TYR A 124 4.041 -3.742 9.139 1.00 0.00 C ATOM 1895 CZ TYR A 124 3.253 -2.650 9.325 1.00 0.00 C ATOM 1896 OH TYR A 124 3.699 -1.659 10.143 1.00 0.00 O ATOM 0 H TYR A 124 2.420 -8.289 7.753 1.00 0.00 H new ATOM 0 HA TYR A 124 0.175 -6.365 8.043 1.00 0.00 H new ATOM 0 HB2 TYR A 124 2.696 -6.297 6.295 1.00 0.00 H new ATOM 0 HB3 TYR A 124 1.276 -5.343 5.914 1.00 0.00 H new ATOM 0 HD1 TYR A 124 0.604 -3.462 7.382 1.00 0.00 H new ATOM 0 HD2 TYR A 124 4.176 -5.668 8.107 1.00 0.00 H new ATOM 0 HE1 TYR A 124 1.442 -1.619 8.904 1.00 0.00 H new ATOM 0 HE2 TYR A 124 5.000 -3.821 9.630 1.00 0.00 H new ATOM 0 HH TYR A 124 3.251 -0.818 9.912 1.00 0.00 H new ATOM 1906 N ILE A 125 -0.064 -8.909 6.785 1.00 0.00 N ATOM 1907 CA ILE A 125 -0.721 -9.844 5.887 1.00 0.00 C ATOM 1908 C ILE A 125 -2.204 -9.485 5.781 1.00 0.00 C ATOM 1909 O ILE A 125 -2.852 -9.201 6.787 1.00 0.00 O ATOM 1910 CB ILE A 125 -0.467 -11.285 6.335 1.00 0.00 C ATOM 1911 CG1 ILE A 125 1.033 -11.584 6.395 1.00 0.00 C ATOM 1912 CG2 ILE A 125 -1.214 -12.276 5.440 1.00 0.00 C ATOM 1913 CD1 ILE A 125 1.601 -11.820 4.994 1.00 0.00 C ATOM 0 H ILE A 125 0.107 -9.268 7.724 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.302 -9.768 4.884 1.00 0.00 H new ATOM 0 HB ILE A 125 -0.859 -11.404 7.345 1.00 0.00 H new ATOM 0 HG12 ILE A 125 1.555 -10.752 6.868 1.00 0.00 H new ATOM 0 HG13 ILE A 125 1.208 -12.463 7.015 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -1.017 -13.293 5.779 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -2.285 -12.077 5.491 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -0.873 -12.165 4.411 1.00 0.00 H new ATOM 0 HD11 ILE A 125 2.668 -12.030 5.065 1.00 0.00 H new ATOM 0 HD12 ILE A 125 1.094 -12.668 4.534 1.00 0.00 H new ATOM 0 HD13 ILE A 125 1.446 -10.930 4.384 1.00 0.00 H new ATOM 1925 N HIS A 126 -2.699 -9.510 4.552 1.00 0.00 N ATOM 1926 CA HIS A 126 -4.095 -9.192 4.301 1.00 0.00 C ATOM 1927 C HIS A 126 -4.899 -10.485 4.157 1.00 0.00 C ATOM 1928 O HIS A 126 -4.789 -11.180 3.148 1.00 0.00 O ATOM 1929 CB HIS A 126 -4.231 -8.270 3.087 1.00 0.00 C ATOM 1930 CG HIS A 126 -5.516 -7.477 3.060 1.00 0.00 C ATOM 1931 ND1 HIS A 126 -6.778 -7.837 2.686 1.00 0.00 N flip ATOM 1932 CD2 HIS A 126 -5.586 -6.151 3.448 1.00 0.00 C flip ATOM 1933 CE1 HIS A 126 -7.575 -6.787 2.839 1.00 0.00 C flip ATOM 1934 NE2 HIS A 126 -6.839 -5.741 3.311 1.00 0.00 N flip ATOM 0 H HIS A 126 -2.159 -9.745 3.720 1.00 0.00 H new ATOM 0 HA HIS A 126 -4.505 -8.644 5.149 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -3.389 -7.578 3.073 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -4.167 -8.870 2.179 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -4.760 -5.552 3.802 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -8.633 -6.765 2.625 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -7.191 -4.807 3.522 1.00 0.00 H new ATOM 1942 N SER A 127 -5.689 -10.770 5.182 1.00 0.00 N ATOM 1943 CA SER A 127 -6.512 -11.968 5.182 1.00 0.00 C ATOM 1944 C SER A 127 -7.993 -11.585 5.169 1.00 0.00 C ATOM 1945 O SER A 127 -8.679 -11.777 4.166 1.00 0.00 O ATOM 1946 CB SER A 127 -6.201 -12.848 6.394 1.00 0.00 C ATOM 1947 OG SER A 127 -6.216 -12.107 7.611 1.00 0.00 O ATOM 0 H SER A 127 -5.777 -10.192 6.018 1.00 0.00 H new ATOM 0 HA SER A 127 -6.284 -12.541 4.283 1.00 0.00 H new ATOM 0 HB2 SER A 127 -6.931 -13.655 6.452 1.00 0.00 H new ATOM 0 HB3 SER A 127 -5.223 -13.311 6.264 1.00 0.00 H new ATOM 0 HG SER A 127 -6.015 -12.705 8.361 1.00 0.00 H new