USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=17 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 60:sc= -1.42 USER MOD Set 1.2: A 80 HIS : no HD1:sc= -14.6! C(o=-20!,f=-21!) USER MOD Set 1.3: A 102 HIS : no HD1:sc= -3.45 K(o=-20,f=-16) USER MOD Set 2.1: A 47 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 49 CYS SG : rot 164:sc= -1.88! USER MOD Set 3.1: A 44 CYS SG : rot 19:sc= -1.82! USER MOD Set 3.2: A 118 MET CE :methyl 174:sc= 0 (180deg=-0.0657) USER MOD Set 4.1: A 22 THR OG1 : rot 7:sc= -3.32! USER MOD Set 4.2: A 25 ASN : amide:sc= -2.69! C(o=-6!,f=-15!) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.0634 K(o=-0.063,f=-1.2) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 SER OG : rot -27:sc= 0.138 USER MOD Single : A 72 ASN : amide:sc= -0.489 K(o=-0.49,f=-3.3!) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 ASN : amide:sc= -1.33 K(o=-1.3,f=-3.7!) USER MOD Single : A 86 TYR OH : rot 145:sc= 0.0556 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= -0.252 K(o=-0.25,f=-2.5!) 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= -0.535 X(o=-0.54,f=-0.83) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 CYS SG : rot -162:sc= -4.57! 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= -0.0545 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 HIS : no HD1:sc= -9.04! C(o=-9!,f=-9.4!) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 258 N PRO A 21 1.370 8.892 6.774 1.00 0.00 N ATOM 259 CA PRO A 21 1.136 8.062 5.605 1.00 0.00 C ATOM 260 C PRO A 21 0.423 6.763 5.987 1.00 0.00 C ATOM 261 O PRO A 21 0.996 5.681 5.876 1.00 0.00 O ATOM 262 CB PRO A 21 2.513 7.830 5.005 1.00 0.00 C ATOM 263 CG PRO A 21 3.507 8.143 6.111 1.00 0.00 C ATOM 264 CD PRO A 21 2.762 8.880 7.212 1.00 0.00 C ATOM 0 HA PRO A 21 0.475 8.535 4.879 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.621 6.801 4.662 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.676 8.473 4.140 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.949 7.225 6.498 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.324 8.754 5.728 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.871 8.374 8.171 1.00 0.00 H new ATOM 0 HD3 PRO A 21 3.145 9.892 7.340 1.00 0.00 H new ATOM 272 N THR A 22 -0.817 6.914 6.430 1.00 0.00 N ATOM 273 CA THR A 22 -1.614 5.767 6.829 1.00 0.00 C ATOM 274 C THR A 22 -2.733 5.516 5.817 1.00 0.00 C ATOM 275 O THR A 22 -3.102 6.412 5.059 1.00 0.00 O ATOM 276 CB THR A 22 -2.124 6.018 8.250 1.00 0.00 C ATOM 277 OG1 THR A 22 -2.911 7.200 8.132 1.00 0.00 O ATOM 278 CG2 THR A 22 -1.003 6.410 9.214 1.00 0.00 C ATOM 0 H THR A 22 -1.289 7.814 6.521 1.00 0.00 H new ATOM 0 HA THR A 22 -1.018 4.855 6.838 1.00 0.00 H new ATOM 0 HB THR A 22 -2.623 5.122 8.620 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.990 7.447 7.187 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.419 6.577 10.208 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.265 5.609 9.259 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.525 7.324 8.863 1.00 0.00 H new ATOM 286 N LEU A 23 -3.242 4.293 5.836 1.00 0.00 N ATOM 287 CA LEU A 23 -4.311 3.913 4.929 1.00 0.00 C ATOM 288 C LEU A 23 -5.508 4.843 5.141 1.00 0.00 C ATOM 289 O LEU A 23 -6.011 5.440 4.190 1.00 0.00 O ATOM 290 CB LEU A 23 -4.649 2.430 5.091 1.00 0.00 C ATOM 291 CG LEU A 23 -4.809 1.633 3.794 1.00 0.00 C ATOM 292 CD1 LEU A 23 -5.694 2.383 2.796 1.00 0.00 C ATOM 293 CD2 LEU A 23 -3.446 1.277 3.197 1.00 0.00 C ATOM 0 H LEU A 23 -2.934 3.552 6.466 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.993 4.033 3.893 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.866 1.962 5.687 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.575 2.349 5.661 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.312 0.695 4.029 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.792 1.795 1.883 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.680 2.542 3.232 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.241 3.346 2.561 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.589 0.711 2.276 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.894 2.191 2.979 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.883 0.675 3.910 1.00 0.00 H new ATOM 305 N GLU A 24 -5.930 4.936 6.393 1.00 0.00 N ATOM 306 CA GLU A 24 -7.058 5.783 6.742 1.00 0.00 C ATOM 307 C GLU A 24 -7.018 7.080 5.932 1.00 0.00 C ATOM 308 O GLU A 24 -8.061 7.620 5.566 1.00 0.00 O ATOM 309 CB GLU A 24 -7.082 6.074 8.244 1.00 0.00 C ATOM 310 CG GLU A 24 -7.992 5.089 8.979 1.00 0.00 C ATOM 311 CD GLU A 24 -9.242 5.791 9.514 1.00 0.00 C ATOM 312 OE1 GLU A 24 -9.066 6.705 10.348 1.00 0.00 O ATOM 313 OE2 GLU A 24 -10.345 5.397 9.077 1.00 0.00 O ATOM 0 H GLU A 24 -5.511 4.439 7.179 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.977 5.251 6.494 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.071 6.010 8.646 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.430 7.093 8.415 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.283 4.284 8.304 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.447 4.631 9.804 1.00 0.00 H new ATOM 320 N ASN A 25 -5.803 7.544 5.676 1.00 0.00 N ATOM 321 CA ASN A 25 -5.614 8.768 4.917 1.00 0.00 C ATOM 322 C ASN A 25 -4.740 8.474 3.695 1.00 0.00 C ATOM 323 O ASN A 25 -3.752 9.166 3.454 1.00 0.00 O ATOM 324 CB ASN A 25 -4.909 9.834 5.757 1.00 0.00 C ATOM 325 CG ASN A 25 -3.810 9.213 6.622 1.00 0.00 C ATOM 326 OD1 ASN A 25 -2.913 8.540 6.142 1.00 0.00 O ATOM 327 ND2 ASN A 25 -3.930 9.475 7.920 1.00 0.00 N ATOM 0 H ASN A 25 -4.940 7.094 5.981 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.596 9.136 4.619 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -4.477 10.591 5.102 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -5.635 10.340 6.393 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -3.246 9.105 8.580 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.706 10.046 8.255 1.00 0.00 H new ATOM 334 N LEU A 26 -5.136 7.448 2.957 1.00 0.00 N ATOM 335 CA LEU A 26 -4.401 7.055 1.767 1.00 0.00 C ATOM 336 C LEU A 26 -4.729 8.022 0.628 1.00 0.00 C ATOM 337 O LEU A 26 -3.872 8.323 -0.202 1.00 0.00 O ATOM 338 CB LEU A 26 -4.676 5.589 1.427 1.00 0.00 C ATOM 339 CG LEU A 26 -3.562 4.853 0.680 1.00 0.00 C ATOM 340 CD1 LEU A 26 -4.123 3.675 -0.119 1.00 0.00 C ATOM 341 CD2 LEU A 26 -2.764 5.815 -0.201 1.00 0.00 C ATOM 0 H LEU A 26 -5.956 6.877 3.160 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.327 7.121 1.943 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.880 5.054 2.354 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.583 5.540 0.825 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.871 4.443 1.416 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.310 3.169 -0.640 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.611 2.975 0.559 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.848 4.041 -0.846 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.979 5.266 -0.721 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.429 6.276 -0.932 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.315 6.590 0.420 1.00 0.00 H new ATOM 353 N GLU A 27 -5.972 8.483 0.624 1.00 0.00 N ATOM 354 CA GLU A 27 -6.423 9.410 -0.399 1.00 0.00 C ATOM 355 C GLU A 27 -5.819 10.795 -0.164 1.00 0.00 C ATOM 356 O GLU A 27 -5.601 11.550 -1.111 1.00 0.00 O ATOM 357 CB GLU A 27 -7.951 9.478 -0.442 1.00 0.00 C ATOM 358 CG GLU A 27 -8.551 8.116 -0.796 1.00 0.00 C ATOM 359 CD GLU A 27 -9.944 8.273 -1.409 1.00 0.00 C ATOM 360 OE1 GLU A 27 -10.177 9.336 -2.024 1.00 0.00 O ATOM 361 OE2 GLU A 27 -10.745 7.327 -1.248 1.00 0.00 O ATOM 0 H GLU A 27 -6.680 8.231 1.313 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.081 9.046 -1.368 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.331 9.806 0.525 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.265 10.220 -1.176 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.897 7.598 -1.498 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.611 7.497 0.099 1.00 0.00 H new ATOM 368 N ASN A 28 -5.565 11.088 1.102 1.00 0.00 N ATOM 369 CA ASN A 28 -4.990 12.370 1.474 1.00 0.00 C ATOM 370 C ASN A 28 -3.509 12.182 1.806 1.00 0.00 C ATOM 371 O ASN A 28 -2.905 13.027 2.466 1.00 0.00 O ATOM 372 CB ASN A 28 -5.683 12.947 2.710 1.00 0.00 C ATOM 373 CG ASN A 28 -6.589 14.121 2.333 1.00 0.00 C ATOM 374 OD1 ASN A 28 -6.254 15.280 2.513 1.00 0.00 O ATOM 375 ND2 ASN A 28 -7.753 13.757 1.801 1.00 0.00 N ATOM 0 H ASN A 28 -5.747 10.459 1.884 1.00 0.00 H new ATOM 0 HA ASN A 28 -5.121 13.054 0.636 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -6.272 12.170 3.197 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -4.934 13.277 3.430 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -8.428 14.467 1.516 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -7.971 12.768 1.678 1.00 0.00 H new ATOM 382 N LEU A 29 -2.966 11.070 1.335 1.00 0.00 N ATOM 383 CA LEU A 29 -1.566 10.761 1.574 1.00 0.00 C ATOM 384 C LEU A 29 -0.697 11.570 0.609 1.00 0.00 C ATOM 385 O LEU A 29 -1.185 12.061 -0.408 1.00 0.00 O ATOM 386 CB LEU A 29 -1.330 9.251 1.495 1.00 0.00 C ATOM 387 CG LEU A 29 0.110 8.811 1.226 1.00 0.00 C ATOM 388 CD1 LEU A 29 0.977 8.979 2.476 1.00 0.00 C ATOM 389 CD2 LEU A 29 0.154 7.380 0.686 1.00 0.00 C ATOM 0 H LEU A 29 -3.470 10.371 0.789 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.279 11.054 2.584 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.657 8.803 2.433 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.966 8.844 0.709 1.00 0.00 H new ATOM 0 HG LEU A 29 0.527 9.459 0.455 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.996 8.659 2.258 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.982 10.027 2.777 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.571 8.371 3.285 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.189 7.092 0.503 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.288 6.702 1.416 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.408 7.326 -0.246 1.00 0.00 H new ATOM 401 N ASP A 30 0.575 11.683 0.961 1.00 0.00 N ATOM 402 CA ASP A 30 1.516 12.425 0.139 1.00 0.00 C ATOM 403 C ASP A 30 2.707 11.527 -0.201 1.00 0.00 C ATOM 404 O ASP A 30 3.709 11.521 0.514 1.00 0.00 O ATOM 405 CB ASP A 30 2.046 13.653 0.881 1.00 0.00 C ATOM 406 CG ASP A 30 3.219 14.363 0.200 1.00 0.00 C ATOM 407 OD1 ASP A 30 3.472 14.037 -0.979 1.00 0.00 O ATOM 408 OD2 ASP A 30 3.835 15.215 0.876 1.00 0.00 O ATOM 0 H ASP A 30 0.976 11.273 1.804 1.00 0.00 H new ATOM 0 HA ASP A 30 0.996 12.746 -0.764 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.230 14.366 1.003 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.356 13.349 1.881 1.00 0.00 H new ATOM 413 N VAL A 31 2.559 10.789 -1.291 1.00 0.00 N ATOM 414 CA VAL A 31 3.610 9.889 -1.734 1.00 0.00 C ATOM 415 C VAL A 31 4.915 10.673 -1.890 1.00 0.00 C ATOM 416 O VAL A 31 6.001 10.111 -1.754 1.00 0.00 O ATOM 417 CB VAL A 31 3.183 9.177 -3.019 1.00 0.00 C ATOM 418 CG1 VAL A 31 2.800 10.187 -4.103 1.00 0.00 C ATOM 419 CG2 VAL A 31 4.280 8.232 -3.513 1.00 0.00 C ATOM 0 H VAL A 31 1.727 10.796 -1.881 1.00 0.00 H new ATOM 0 HA VAL A 31 3.785 9.111 -0.991 1.00 0.00 H new ATOM 0 HB VAL A 31 2.302 8.577 -2.793 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.500 9.655 -5.006 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.971 10.801 -3.751 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.656 10.825 -4.325 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.951 7.739 -4.428 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.187 8.801 -3.714 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.485 7.481 -2.750 1.00 0.00 H new ATOM 429 N SER A 32 4.765 11.958 -2.174 1.00 0.00 N ATOM 430 CA SER A 32 5.918 12.825 -2.350 1.00 0.00 C ATOM 431 C SER A 32 6.537 13.155 -0.990 1.00 0.00 C ATOM 432 O SER A 32 7.536 13.869 -0.916 1.00 0.00 O ATOM 433 CB SER A 32 5.532 14.112 -3.083 1.00 0.00 C ATOM 434 OG SER A 32 6.058 14.149 -4.407 1.00 0.00 O ATOM 0 H SER A 32 3.863 12.420 -2.287 1.00 0.00 H new ATOM 0 HA SER A 32 6.653 12.298 -2.959 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.446 14.196 -3.122 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.898 14.972 -2.523 1.00 0.00 H new ATOM 0 HG SER A 32 5.789 14.984 -4.843 1.00 0.00 H new ATOM 440 N ALA A 33 5.919 12.618 0.052 1.00 0.00 N ATOM 441 CA ALA A 33 6.398 12.846 1.405 1.00 0.00 C ATOM 442 C ALA A 33 7.516 11.850 1.720 1.00 0.00 C ATOM 443 O ALA A 33 8.550 12.226 2.269 1.00 0.00 O ATOM 444 CB ALA A 33 5.228 12.738 2.385 1.00 0.00 C ATOM 0 H ALA A 33 5.091 12.026 -0.013 1.00 0.00 H new ATOM 0 HA ALA A 33 6.813 13.849 1.502 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.587 12.909 3.400 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.474 13.485 2.136 1.00 0.00 H new ATOM 0 HB3 ALA A 33 4.788 11.743 2.318 1.00 0.00 H new ATOM 450 N PHE A 34 7.271 10.599 1.359 1.00 0.00 N ATOM 451 CA PHE A 34 8.244 9.547 1.596 1.00 0.00 C ATOM 452 C PHE A 34 9.606 9.917 1.006 1.00 0.00 C ATOM 453 O PHE A 34 9.694 10.337 -0.147 1.00 0.00 O ATOM 454 CB PHE A 34 7.723 8.290 0.897 1.00 0.00 C ATOM 455 CG PHE A 34 6.331 7.853 1.359 1.00 0.00 C ATOM 456 CD1 PHE A 34 6.137 7.441 2.640 1.00 0.00 C ATOM 457 CD2 PHE A 34 5.287 7.877 0.487 1.00 0.00 C ATOM 458 CE1 PHE A 34 4.845 7.036 3.068 1.00 0.00 C ATOM 459 CE2 PHE A 34 3.995 7.472 0.915 1.00 0.00 C ATOM 460 CZ PHE A 34 3.801 7.060 2.197 1.00 0.00 C ATOM 0 H PHE A 34 6.412 10.290 0.904 1.00 0.00 H new ATOM 0 HA PHE A 34 8.372 9.393 2.667 1.00 0.00 H new ATOM 0 HB2 PHE A 34 7.699 8.468 -0.178 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.425 7.474 1.069 1.00 0.00 H new ATOM 0 HD1 PHE A 34 6.966 7.422 3.332 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.441 8.204 -0.531 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.691 6.709 4.086 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.166 7.491 0.223 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.818 6.752 2.523 1.00 0.00 H new ATOM 470 N GLN A 35 10.635 9.746 1.822 1.00 0.00 N ATOM 471 CA GLN A 35 11.989 10.057 1.395 1.00 0.00 C ATOM 472 C GLN A 35 12.731 8.776 1.009 1.00 0.00 C ATOM 473 O GLN A 35 13.899 8.822 0.625 1.00 0.00 O ATOM 474 CB GLN A 35 12.745 10.822 2.483 1.00 0.00 C ATOM 475 CG GLN A 35 11.875 11.928 3.082 1.00 0.00 C ATOM 476 CD GLN A 35 12.191 13.282 2.443 1.00 0.00 C ATOM 477 OE1 GLN A 35 12.799 13.372 1.389 1.00 0.00 O ATOM 478 NE2 GLN A 35 11.747 14.325 3.138 1.00 0.00 N ATOM 0 H GLN A 35 10.559 9.396 2.777 1.00 0.00 H new ATOM 0 HA GLN A 35 11.934 10.700 0.517 1.00 0.00 H new ATOM 0 HB2 GLN A 35 13.055 10.133 3.269 1.00 0.00 H new ATOM 0 HB3 GLN A 35 13.653 11.256 2.063 1.00 0.00 H new ATOM 0 HG2 GLN A 35 10.822 11.688 2.933 1.00 0.00 H new ATOM 0 HG3 GLN A 35 12.040 11.983 4.158 1.00 0.00 H new ATOM 0 HE21 GLN A 35 11.245 14.178 4.014 1.00 0.00 H new ATOM 0 HE22 GLN A 35 11.909 15.272 2.796 1.00 0.00 H new ATOM 487 N ALA A 36 12.022 7.662 1.125 1.00 0.00 N ATOM 488 CA ALA A 36 12.599 6.370 0.792 1.00 0.00 C ATOM 489 C ALA A 36 13.366 6.483 -0.527 1.00 0.00 C ATOM 490 O ALA A 36 13.243 7.480 -1.237 1.00 0.00 O ATOM 491 CB ALA A 36 11.492 5.316 0.735 1.00 0.00 C ATOM 0 H ALA A 36 11.054 7.627 1.445 1.00 0.00 H new ATOM 0 HA ALA A 36 13.308 6.057 1.559 1.00 0.00 H new ATOM 0 HB1 ALA A 36 11.925 4.347 0.485 1.00 0.00 H new ATOM 0 HB2 ALA A 36 10.998 5.254 1.705 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.763 5.595 -0.026 1.00 0.00 H new ATOM 497 N PRO A 37 14.161 5.420 -0.822 1.00 0.00 N ATOM 498 CA PRO A 37 14.947 5.390 -2.044 1.00 0.00 C ATOM 499 C PRO A 37 14.062 5.110 -3.259 1.00 0.00 C ATOM 500 O PRO A 37 12.957 4.588 -3.120 1.00 0.00 O ATOM 501 CB PRO A 37 15.995 4.313 -1.811 1.00 0.00 C ATOM 502 CG PRO A 37 15.471 3.464 -0.664 1.00 0.00 C ATOM 503 CD PRO A 37 14.331 4.222 -0.005 1.00 0.00 C ATOM 0 HA PRO A 37 15.420 6.347 -2.263 1.00 0.00 H new ATOM 0 HB2 PRO A 37 16.142 3.711 -2.707 1.00 0.00 H new ATOM 0 HB3 PRO A 37 16.960 4.754 -1.561 1.00 0.00 H new ATOM 0 HG2 PRO A 37 15.125 2.498 -1.032 1.00 0.00 H new ATOM 0 HG3 PRO A 37 16.264 3.265 0.057 1.00 0.00 H new ATOM 0 HD2 PRO A 37 13.419 3.625 0.017 1.00 0.00 H new ATOM 0 HD3 PRO A 37 14.570 4.477 1.027 1.00 0.00 H new ATOM 511 N GLU A 38 14.581 5.469 -4.425 1.00 0.00 N ATOM 512 CA GLU A 38 13.851 5.263 -5.664 1.00 0.00 C ATOM 513 C GLU A 38 13.870 3.783 -6.051 1.00 0.00 C ATOM 514 O GLU A 38 13.142 3.363 -6.950 1.00 0.00 O ATOM 515 CB GLU A 38 14.422 6.131 -6.787 1.00 0.00 C ATOM 516 CG GLU A 38 14.021 7.596 -6.605 1.00 0.00 C ATOM 517 CD GLU A 38 14.110 8.357 -7.930 1.00 0.00 C ATOM 518 OE1 GLU A 38 13.235 8.111 -8.787 1.00 0.00 O ATOM 519 OE2 GLU A 38 15.053 9.169 -8.055 1.00 0.00 O ATOM 0 H GLU A 38 15.498 5.901 -4.537 1.00 0.00 H new ATOM 0 HA GLU A 38 12.815 5.564 -5.508 1.00 0.00 H new ATOM 0 HB2 GLU A 38 15.509 6.047 -6.800 1.00 0.00 H new ATOM 0 HB3 GLU A 38 14.063 5.769 -7.750 1.00 0.00 H new ATOM 0 HG2 GLU A 38 13.004 7.653 -6.216 1.00 0.00 H new ATOM 0 HG3 GLU A 38 14.671 8.066 -5.867 1.00 0.00 H new ATOM 526 N ASP A 39 14.710 3.032 -5.354 1.00 0.00 N ATOM 527 CA ASP A 39 14.834 1.608 -5.614 1.00 0.00 C ATOM 528 C ASP A 39 14.363 0.827 -4.385 1.00 0.00 C ATOM 529 O ASP A 39 14.712 -0.340 -4.215 1.00 0.00 O ATOM 530 CB ASP A 39 16.289 1.222 -5.889 1.00 0.00 C ATOM 531 CG ASP A 39 17.170 2.358 -6.413 1.00 0.00 C ATOM 532 OD1 ASP A 39 16.647 3.156 -7.220 1.00 0.00 O ATOM 533 OD2 ASP A 39 18.347 2.401 -5.995 1.00 0.00 O ATOM 0 H ASP A 39 15.312 3.383 -4.609 1.00 0.00 H new ATOM 0 HA ASP A 39 14.227 1.371 -6.488 1.00 0.00 H new ATOM 0 HB2 ASP A 39 16.728 0.837 -4.968 1.00 0.00 H new ATOM 0 HB3 ASP A 39 16.303 0.408 -6.613 1.00 0.00 H new ATOM 538 N LEU A 40 13.576 1.503 -3.560 1.00 0.00 N ATOM 539 CA LEU A 40 13.054 0.887 -2.352 1.00 0.00 C ATOM 540 C LEU A 40 12.665 -0.562 -2.651 1.00 0.00 C ATOM 541 O LEU A 40 13.139 -1.485 -1.990 1.00 0.00 O ATOM 542 CB LEU A 40 11.910 1.724 -1.776 1.00 0.00 C ATOM 543 CG LEU A 40 11.269 1.191 -0.493 1.00 0.00 C ATOM 544 CD1 LEU A 40 12.315 1.010 0.608 1.00 0.00 C ATOM 545 CD2 LEU A 40 10.113 2.088 -0.044 1.00 0.00 C ATOM 0 H LEU A 40 13.288 2.471 -3.705 1.00 0.00 H new ATOM 0 HA LEU A 40 13.820 0.859 -1.577 1.00 0.00 H new ATOM 0 HB2 LEU A 40 12.284 2.729 -1.581 1.00 0.00 H new ATOM 0 HB3 LEU A 40 11.134 1.814 -2.536 1.00 0.00 H new ATOM 0 HG LEU A 40 10.850 0.207 -0.704 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.833 0.630 1.509 1.00 0.00 H new ATOM 0 HD12 LEU A 40 13.074 0.301 0.276 1.00 0.00 H new ATOM 0 HD13 LEU A 40 12.785 1.969 0.825 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.675 1.687 0.870 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.486 3.095 0.144 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.354 2.122 -0.826 1.00 0.00 H new ATOM 557 N LEU A 41 11.806 -0.718 -3.648 1.00 0.00 N ATOM 558 CA LEU A 41 11.349 -2.039 -4.042 1.00 0.00 C ATOM 559 C LEU A 41 12.036 -2.443 -5.348 1.00 0.00 C ATOM 560 O LEU A 41 11.373 -2.839 -6.306 1.00 0.00 O ATOM 561 CB LEU A 41 9.821 -2.078 -4.114 1.00 0.00 C ATOM 562 CG LEU A 41 9.081 -1.124 -3.174 1.00 0.00 C ATOM 563 CD1 LEU A 41 8.002 -0.341 -3.925 1.00 0.00 C ATOM 564 CD2 LEU A 41 8.511 -1.874 -1.969 1.00 0.00 C ATOM 0 H LEU A 41 11.415 0.049 -4.195 1.00 0.00 H new ATOM 0 HA LEU A 41 11.629 -2.778 -3.292 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.519 -1.855 -5.137 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.493 -3.095 -3.900 1.00 0.00 H new ATOM 0 HG LEU A 41 9.798 -0.398 -2.791 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.491 0.329 -3.234 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.464 0.242 -4.722 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.281 -1.036 -4.355 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.990 -1.173 -1.317 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.813 -2.637 -2.313 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.323 -2.347 -1.417 1.00 0.00 H new ATOM 576 N ASP A 42 13.356 -2.330 -5.345 1.00 0.00 N ATOM 577 CA ASP A 42 14.140 -2.679 -6.517 1.00 0.00 C ATOM 578 C ASP A 42 13.821 -4.118 -6.929 1.00 0.00 C ATOM 579 O ASP A 42 13.858 -5.027 -6.101 1.00 0.00 O ATOM 580 CB ASP A 42 15.639 -2.593 -6.223 1.00 0.00 C ATOM 581 CG ASP A 42 16.530 -3.417 -7.154 1.00 0.00 C ATOM 582 OD1 ASP A 42 16.753 -2.945 -8.290 1.00 0.00 O ATOM 583 OD2 ASP A 42 16.967 -4.500 -6.710 1.00 0.00 O ATOM 0 H ASP A 42 13.902 -2.001 -4.549 1.00 0.00 H new ATOM 0 HA ASP A 42 13.888 -1.978 -7.312 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.946 -1.549 -6.282 1.00 0.00 H new ATOM 0 HB3 ASP A 42 15.812 -2.919 -5.197 1.00 0.00 H new ATOM 588 N GLY A 43 13.515 -4.279 -8.208 1.00 0.00 N ATOM 589 CA GLY A 43 13.190 -5.591 -8.740 1.00 0.00 C ATOM 590 C GLY A 43 12.110 -6.272 -7.897 1.00 0.00 C ATOM 591 O GLY A 43 12.191 -7.469 -7.625 1.00 0.00 O ATOM 0 H GLY A 43 13.485 -3.522 -8.891 1.00 0.00 H new ATOM 0 HA2 GLY A 43 12.846 -5.495 -9.770 1.00 0.00 H new ATOM 0 HA3 GLY A 43 14.086 -6.211 -8.760 1.00 0.00 H new ATOM 595 N CYS A 44 11.122 -5.480 -7.507 1.00 0.00 N ATOM 596 CA CYS A 44 10.026 -5.991 -6.701 1.00 0.00 C ATOM 597 C CYS A 44 8.739 -5.894 -7.523 1.00 0.00 C ATOM 598 O CYS A 44 8.346 -4.806 -7.942 1.00 0.00 O ATOM 599 CB CYS A 44 9.910 -5.248 -5.369 1.00 0.00 C ATOM 600 SG CYS A 44 11.501 -5.325 -4.469 1.00 0.00 S ATOM 0 H CYS A 44 11.058 -4.488 -7.734 1.00 0.00 H new ATOM 0 HA CYS A 44 10.214 -7.034 -6.445 1.00 0.00 H new ATOM 0 HB2 CYS A 44 9.633 -4.209 -5.546 1.00 0.00 H new ATOM 0 HB3 CYS A 44 9.119 -5.691 -4.764 1.00 0.00 H new ATOM 0 HG CYS A 44 12.455 -5.627 -5.299 1.00 0.00 H new ATOM 606 N ARG A 45 8.118 -7.046 -7.729 1.00 0.00 N ATOM 607 CA ARG A 45 6.884 -7.105 -8.493 1.00 0.00 C ATOM 608 C ARG A 45 5.686 -7.261 -7.555 1.00 0.00 C ATOM 609 O ARG A 45 5.425 -8.353 -7.052 1.00 0.00 O ATOM 610 CB ARG A 45 6.903 -8.271 -9.483 1.00 0.00 C ATOM 611 CG ARG A 45 7.756 -7.936 -10.709 1.00 0.00 C ATOM 612 CD ARG A 45 7.939 -9.165 -11.601 1.00 0.00 C ATOM 613 NE ARG A 45 9.174 -9.887 -11.221 1.00 0.00 N ATOM 614 CZ ARG A 45 10.399 -9.559 -11.653 1.00 0.00 C ATOM 615 NH1 ARG A 45 10.561 -8.519 -12.482 1.00 0.00 N ATOM 616 NH2 ARG A 45 11.462 -10.272 -11.255 1.00 0.00 N ATOM 0 H ARG A 45 8.447 -7.946 -7.380 1.00 0.00 H new ATOM 0 HA ARG A 45 6.795 -6.172 -9.050 1.00 0.00 H new ATOM 0 HB2 ARG A 45 7.297 -9.162 -8.994 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.885 -8.503 -9.796 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.283 -7.136 -11.278 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.730 -7.566 -10.389 1.00 0.00 H new ATOM 0 HD2 ARG A 45 7.077 -9.826 -11.505 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.993 -8.861 -12.646 1.00 0.00 H new ATOM 0 HE ARG A 45 9.087 -10.684 -10.591 1.00 0.00 H new ATOM 0 HH11 ARG A 45 9.752 -7.977 -12.784 1.00 0.00 H new ATOM 0 HH12 ARG A 45 11.494 -8.269 -12.811 1.00 0.00 H new ATOM 0 HH21 ARG A 45 11.338 -11.064 -10.624 1.00 0.00 H new ATOM 0 HH22 ARG A 45 12.395 -10.023 -11.583 1.00 0.00 H new ATOM 630 N ILE A 46 4.988 -6.154 -7.348 1.00 0.00 N ATOM 631 CA ILE A 46 3.824 -6.154 -6.479 1.00 0.00 C ATOM 632 C ILE A 46 2.558 -6.023 -7.328 1.00 0.00 C ATOM 633 O ILE A 46 2.611 -5.530 -8.454 1.00 0.00 O ATOM 634 CB ILE A 46 3.957 -5.073 -5.403 1.00 0.00 C ATOM 635 CG1 ILE A 46 5.278 -5.215 -4.644 1.00 0.00 C ATOM 636 CG2 ILE A 46 2.751 -5.085 -4.462 1.00 0.00 C ATOM 637 CD1 ILE A 46 6.000 -3.870 -4.545 1.00 0.00 C ATOM 0 H ILE A 46 5.207 -5.250 -7.768 1.00 0.00 H new ATOM 0 HA ILE A 46 3.752 -7.099 -5.941 1.00 0.00 H new ATOM 0 HB ILE A 46 3.971 -4.101 -5.895 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.087 -5.604 -3.644 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.917 -5.938 -5.151 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.871 -4.308 -3.707 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.842 -4.899 -5.034 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.680 -6.057 -3.974 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.936 -3.999 -4.001 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.211 -3.496 -5.547 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.368 -3.156 -4.017 1.00 0.00 H new ATOM 649 N TYR A 47 1.451 -6.473 -6.757 1.00 0.00 N ATOM 650 CA TYR A 47 0.174 -6.412 -7.448 1.00 0.00 C ATOM 651 C TYR A 47 -0.862 -5.651 -6.619 1.00 0.00 C ATOM 652 O TYR A 47 -1.126 -6.006 -5.471 1.00 0.00 O ATOM 653 CB TYR A 47 -0.286 -7.862 -7.612 1.00 0.00 C ATOM 654 CG TYR A 47 -1.621 -8.012 -8.343 1.00 0.00 C ATOM 655 CD1 TYR A 47 -2.801 -7.703 -7.696 1.00 0.00 C ATOM 656 CD2 TYR A 47 -1.647 -8.457 -9.650 1.00 0.00 C ATOM 657 CE1 TYR A 47 -4.058 -7.844 -8.385 1.00 0.00 C ATOM 658 CE2 TYR A 47 -2.904 -8.598 -10.338 1.00 0.00 C ATOM 659 CZ TYR A 47 -4.047 -8.285 -9.671 1.00 0.00 C ATOM 660 OH TYR A 47 -5.235 -8.418 -10.321 1.00 0.00 O ATOM 0 H TYR A 47 1.411 -6.882 -5.823 1.00 0.00 H new ATOM 0 HA TYR A 47 0.278 -5.896 -8.402 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.479 -8.416 -8.156 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.370 -8.320 -6.626 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -2.781 -7.356 -6.674 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.724 -8.699 -10.156 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.988 -7.605 -7.891 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -2.938 -8.944 -11.360 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.075 -8.741 -11.232 1.00 0.00 H new ATOM 670 N LEU A 48 -1.422 -4.620 -7.233 1.00 0.00 N ATOM 671 CA LEU A 48 -2.424 -3.806 -6.566 1.00 0.00 C ATOM 672 C LEU A 48 -3.810 -4.408 -6.809 1.00 0.00 C ATOM 673 O LEU A 48 -4.071 -4.959 -7.878 1.00 0.00 O ATOM 674 CB LEU A 48 -2.304 -2.344 -7.001 1.00 0.00 C ATOM 675 CG LEU A 48 -1.055 -1.602 -6.522 1.00 0.00 C ATOM 676 CD1 LEU A 48 -1.004 -0.186 -7.099 1.00 0.00 C ATOM 677 CD2 LEU A 48 -0.968 -1.603 -4.995 1.00 0.00 C ATOM 0 H LEU A 48 -1.201 -4.329 -8.185 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.260 -3.808 -5.488 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.329 -2.306 -8.090 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.182 -1.806 -6.643 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.179 -2.133 -6.894 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.107 0.320 -6.743 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.984 -0.237 -8.188 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.885 0.370 -6.778 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.071 -1.069 -4.681 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.847 -1.110 -4.580 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.924 -2.630 -4.634 1.00 0.00 H new ATOM 689 N CYS A 49 -4.660 -4.283 -5.801 1.00 0.00 N ATOM 690 CA CYS A 49 -6.012 -4.808 -5.893 1.00 0.00 C ATOM 691 C CYS A 49 -6.849 -4.177 -4.778 1.00 0.00 C ATOM 692 O CYS A 49 -6.327 -3.856 -3.712 1.00 0.00 O ATOM 693 CB CYS A 49 -6.030 -6.337 -5.825 1.00 0.00 C ATOM 694 SG CYS A 49 -7.316 -6.997 -6.948 1.00 0.00 S ATOM 0 H CYS A 49 -4.439 -3.826 -4.916 1.00 0.00 H new ATOM 0 HA CYS A 49 -6.442 -4.547 -6.860 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -5.054 -6.733 -6.104 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -6.226 -6.662 -4.803 1.00 0.00 H new ATOM 0 HG CYS A 49 -7.103 -8.263 -7.156 1.00 0.00 H new ATOM 700 N GLY A 50 -8.133 -4.019 -5.064 1.00 0.00 N ATOM 701 CA GLY A 50 -9.047 -3.433 -4.099 1.00 0.00 C ATOM 702 C GLY A 50 -8.662 -1.985 -3.789 1.00 0.00 C ATOM 703 O GLY A 50 -8.381 -1.646 -2.640 1.00 0.00 O ATOM 0 H GLY A 50 -8.562 -4.287 -5.950 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -10.064 -3.467 -4.489 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.038 -4.020 -3.181 1.00 0.00 H new ATOM 707 N PHE A 51 -8.662 -1.170 -4.833 1.00 0.00 N ATOM 708 CA PHE A 51 -8.316 0.234 -4.686 1.00 0.00 C ATOM 709 C PHE A 51 -9.092 1.097 -5.683 1.00 0.00 C ATOM 710 O PHE A 51 -10.137 1.652 -5.347 1.00 0.00 O ATOM 711 CB PHE A 51 -6.819 0.359 -4.979 1.00 0.00 C ATOM 712 CG PHE A 51 -5.920 -0.106 -3.832 1.00 0.00 C ATOM 713 CD1 PHE A 51 -6.117 0.377 -2.576 1.00 0.00 C ATOM 714 CD2 PHE A 51 -4.923 -1.000 -4.068 1.00 0.00 C ATOM 715 CE1 PHE A 51 -5.282 -0.054 -1.511 1.00 0.00 C ATOM 716 CE2 PHE A 51 -4.088 -1.431 -3.003 1.00 0.00 C ATOM 717 CZ PHE A 51 -4.286 -0.949 -1.747 1.00 0.00 C ATOM 0 H PHE A 51 -8.896 -1.454 -5.784 1.00 0.00 H new ATOM 0 HA PHE A 51 -8.564 0.575 -3.681 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -6.584 -0.223 -5.870 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -6.590 1.400 -5.208 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.908 1.088 -2.389 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -4.766 -1.382 -5.066 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -5.438 0.329 -0.513 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.296 -2.141 -3.191 1.00 0.00 H new ATOM 0 HZ PHE A 51 -3.652 -1.277 -0.937 1.00 0.00 H new ATOM 727 N SER A 52 -8.551 1.183 -6.890 1.00 0.00 N ATOM 728 CA SER A 52 -9.180 1.969 -7.938 1.00 0.00 C ATOM 729 C SER A 52 -9.458 3.387 -7.433 1.00 0.00 C ATOM 730 O SER A 52 -10.415 3.609 -6.694 1.00 0.00 O ATOM 731 CB SER A 52 -10.476 1.312 -8.416 1.00 0.00 C ATOM 732 OG SER A 52 -10.542 1.235 -9.838 1.00 0.00 O ATOM 0 H SER A 52 -7.684 0.721 -7.165 1.00 0.00 H new ATOM 0 HA SER A 52 -8.496 2.020 -8.785 1.00 0.00 H new ATOM 0 HB2 SER A 52 -10.551 0.310 -7.995 1.00 0.00 H new ATOM 0 HB3 SER A 52 -11.329 1.879 -8.044 1.00 0.00 H new ATOM 0 HG SER A 52 -11.383 0.808 -10.104 1.00 0.00 H new ATOM 738 N GLY A 53 -8.603 4.308 -7.853 1.00 0.00 N ATOM 739 CA GLY A 53 -8.745 5.698 -7.453 1.00 0.00 C ATOM 740 C GLY A 53 -7.479 6.199 -6.755 1.00 0.00 C ATOM 741 O GLY A 53 -6.384 5.705 -7.018 1.00 0.00 O ATOM 0 H GLY A 53 -7.810 4.119 -8.466 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -8.949 6.313 -8.329 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -9.599 5.802 -6.784 1.00 0.00 H new ATOM 745 N ARG A 54 -7.671 7.175 -5.880 1.00 0.00 N ATOM 746 CA ARG A 54 -6.558 7.749 -5.143 1.00 0.00 C ATOM 747 C ARG A 54 -5.689 6.641 -4.546 1.00 0.00 C ATOM 748 O ARG A 54 -4.502 6.543 -4.857 1.00 0.00 O ATOM 749 CB ARG A 54 -7.054 8.660 -4.017 1.00 0.00 C ATOM 750 CG ARG A 54 -7.653 9.950 -4.580 1.00 0.00 C ATOM 751 CD ARG A 54 -7.885 10.977 -3.470 1.00 0.00 C ATOM 752 NE ARG A 54 -7.842 12.346 -4.030 1.00 0.00 N ATOM 753 CZ ARG A 54 -7.900 13.462 -3.291 1.00 0.00 C ATOM 754 NH1 ARG A 54 -8.005 13.378 -1.958 1.00 0.00 N ATOM 755 NH2 ARG A 54 -7.855 14.663 -3.885 1.00 0.00 N ATOM 0 H ARG A 54 -8.581 7.583 -5.665 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.968 8.342 -5.842 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.803 8.136 -3.423 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.228 8.900 -3.348 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -6.984 10.368 -5.333 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -8.597 9.729 -5.079 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -8.850 10.800 -2.995 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -7.124 10.867 -2.697 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.763 12.446 -5.042 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -8.041 12.464 -1.506 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -8.049 14.228 -1.395 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -7.777 14.727 -4.900 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -7.899 15.512 -3.322 1.00 0.00 H new ATOM 769 N LYS A 55 -6.312 5.834 -3.700 1.00 0.00 N ATOM 770 CA LYS A 55 -5.609 4.736 -3.058 1.00 0.00 C ATOM 771 C LYS A 55 -4.716 4.037 -4.085 1.00 0.00 C ATOM 772 O LYS A 55 -3.563 3.721 -3.797 1.00 0.00 O ATOM 773 CB LYS A 55 -6.600 3.798 -2.365 1.00 0.00 C ATOM 774 CG LYS A 55 -7.444 4.555 -1.337 1.00 0.00 C ATOM 775 CD LYS A 55 -8.252 3.587 -0.471 1.00 0.00 C ATOM 776 CE LYS A 55 -8.225 4.012 0.999 1.00 0.00 C ATOM 777 NZ LYS A 55 -9.469 3.593 1.682 1.00 0.00 N ATOM 0 H LYS A 55 -7.296 5.918 -3.444 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.956 5.111 -2.270 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.252 3.338 -3.108 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.058 2.990 -1.872 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.795 5.160 -0.704 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.119 5.240 -1.849 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.283 3.551 -0.824 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.846 2.580 -0.570 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.363 3.568 1.496 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.111 5.094 1.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.435 3.889 2.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.287 4.037 1.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.561 2.558 1.631 1.00 0.00 H new ATOM 791 N LEU A 56 -5.284 3.815 -5.261 1.00 0.00 N ATOM 792 CA LEU A 56 -4.554 3.159 -6.332 1.00 0.00 C ATOM 793 C LEU A 56 -3.415 4.068 -6.799 1.00 0.00 C ATOM 794 O LEU A 56 -2.244 3.773 -6.565 1.00 0.00 O ATOM 795 CB LEU A 56 -5.507 2.742 -7.454 1.00 0.00 C ATOM 796 CG LEU A 56 -4.857 2.113 -8.688 1.00 0.00 C ATOM 797 CD1 LEU A 56 -4.046 0.873 -8.308 1.00 0.00 C ATOM 798 CD2 LEU A 56 -5.903 1.807 -9.763 1.00 0.00 C ATOM 0 H LEU A 56 -6.241 4.078 -5.496 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.099 2.236 -5.972 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.228 2.033 -7.047 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.069 3.620 -7.772 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.160 2.836 -9.113 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.595 0.445 -9.203 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.262 1.153 -7.604 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.703 0.136 -7.845 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.415 1.361 -10.629 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.642 1.112 -9.364 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.399 2.731 -10.062 1.00 0.00 H new ATOM 810 N ASP A 57 -3.799 5.156 -7.451 1.00 0.00 N ATOM 811 CA ASP A 57 -2.825 6.110 -7.953 1.00 0.00 C ATOM 812 C ASP A 57 -1.682 6.243 -6.945 1.00 0.00 C ATOM 813 O ASP A 57 -0.511 6.197 -7.320 1.00 0.00 O ATOM 814 CB ASP A 57 -3.454 7.492 -8.140 1.00 0.00 C ATOM 815 CG ASP A 57 -2.469 8.608 -8.494 1.00 0.00 C ATOM 816 OD1 ASP A 57 -1.816 8.475 -9.551 1.00 0.00 O ATOM 817 OD2 ASP A 57 -2.391 9.570 -7.698 1.00 0.00 O ATOM 0 H ASP A 57 -4.771 5.398 -7.643 1.00 0.00 H new ATOM 0 HA ASP A 57 -2.461 5.747 -8.914 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.206 7.429 -8.926 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.975 7.765 -7.222 1.00 0.00 H new ATOM 822 N LYS A 58 -2.061 6.405 -5.686 1.00 0.00 N ATOM 823 CA LYS A 58 -1.082 6.545 -4.622 1.00 0.00 C ATOM 824 C LYS A 58 -0.024 5.449 -4.760 1.00 0.00 C ATOM 825 O LYS A 58 1.147 5.738 -5.002 1.00 0.00 O ATOM 826 CB LYS A 58 -1.774 6.564 -3.257 1.00 0.00 C ATOM 827 CG LYS A 58 -2.518 7.883 -3.037 1.00 0.00 C ATOM 828 CD LYS A 58 -1.543 9.012 -2.698 1.00 0.00 C ATOM 829 CE LYS A 58 -2.181 10.381 -2.946 1.00 0.00 C ATOM 830 NZ LYS A 58 -1.448 11.109 -4.006 1.00 0.00 N ATOM 0 H LYS A 58 -3.033 6.442 -5.379 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.564 7.500 -4.705 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.474 5.732 -3.189 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.035 6.424 -2.469 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.081 8.141 -3.934 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.241 7.767 -2.229 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.238 8.933 -1.655 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.641 8.912 -3.302 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.224 10.256 -3.237 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.175 10.964 -2.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.893 12.036 -4.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.459 11.245 -3.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.476 10.559 -4.888 1.00 0.00 H new ATOM 844 N LEU A 59 -0.475 4.213 -4.600 1.00 0.00 N ATOM 845 CA LEU A 59 0.418 3.072 -4.704 1.00 0.00 C ATOM 846 C LEU A 59 1.218 3.172 -6.005 1.00 0.00 C ATOM 847 O LEU A 59 2.432 2.972 -6.009 1.00 0.00 O ATOM 848 CB LEU A 59 -0.364 1.764 -4.563 1.00 0.00 C ATOM 849 CG LEU A 59 -0.534 1.235 -3.137 1.00 0.00 C ATOM 850 CD1 LEU A 59 -0.070 2.270 -2.110 1.00 0.00 C ATOM 851 CD2 LEU A 59 -1.974 0.786 -2.887 1.00 0.00 C ATOM 0 H LEU A 59 -1.447 3.977 -4.399 1.00 0.00 H new ATOM 0 HA LEU A 59 1.137 3.077 -3.885 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.354 1.907 -4.997 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.137 0.999 -5.156 1.00 0.00 H new ATOM 0 HG LEU A 59 0.102 0.357 -3.020 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.201 1.869 -1.105 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.983 2.499 -2.275 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.661 3.180 -2.218 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.067 0.415 -1.867 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.648 1.631 -3.029 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.234 -0.008 -3.587 1.00 0.00 H new ATOM 863 N ARG A 60 0.505 3.483 -7.078 1.00 0.00 N ATOM 864 CA ARG A 60 1.133 3.612 -8.382 1.00 0.00 C ATOM 865 C ARG A 60 2.317 4.579 -8.307 1.00 0.00 C ATOM 866 O ARG A 60 3.350 4.350 -8.934 1.00 0.00 O ATOM 867 CB ARG A 60 0.136 4.118 -9.426 1.00 0.00 C ATOM 868 CG ARG A 60 -1.130 3.259 -9.435 1.00 0.00 C ATOM 869 CD ARG A 60 -1.788 3.266 -10.817 1.00 0.00 C ATOM 870 NE ARG A 60 -2.934 4.203 -10.827 1.00 0.00 N ATOM 871 CZ ARG A 60 -3.397 4.810 -11.928 1.00 0.00 C ATOM 872 NH1 ARG A 60 -2.816 4.584 -13.114 1.00 0.00 N ATOM 873 NH2 ARG A 60 -4.443 5.644 -11.843 1.00 0.00 N ATOM 0 H ARG A 60 -0.501 3.649 -7.071 1.00 0.00 H new ATOM 0 HA ARG A 60 1.484 2.624 -8.680 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.125 5.155 -9.213 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.598 4.102 -10.413 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.882 2.236 -9.152 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.833 3.634 -8.691 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -1.061 3.560 -11.574 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.126 2.262 -11.073 1.00 0.00 H new ATOM 0 HE ARG A 60 -3.400 4.399 -9.941 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -2.020 3.949 -13.179 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -3.169 5.047 -13.951 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -4.886 5.816 -10.940 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -4.796 6.106 -12.681 1.00 0.00 H new ATOM 887 N ARG A 61 2.126 5.639 -7.535 1.00 0.00 N ATOM 888 CA ARG A 61 3.165 6.641 -7.371 1.00 0.00 C ATOM 889 C ARG A 61 4.210 6.162 -6.360 1.00 0.00 C ATOM 890 O ARG A 61 5.398 6.440 -6.512 1.00 0.00 O ATOM 891 CB ARG A 61 2.577 7.971 -6.894 1.00 0.00 C ATOM 892 CG ARG A 61 1.734 8.622 -7.993 1.00 0.00 C ATOM 893 CD ARG A 61 1.312 10.038 -7.594 1.00 0.00 C ATOM 894 NE ARG A 61 0.509 10.650 -8.675 1.00 0.00 N ATOM 895 CZ ARG A 61 0.230 11.959 -8.755 1.00 0.00 C ATOM 896 NH1 ARG A 61 0.687 12.800 -7.817 1.00 0.00 N ATOM 897 NH2 ARG A 61 -0.507 12.426 -9.772 1.00 0.00 N ATOM 0 H ARG A 61 1.268 5.825 -7.017 1.00 0.00 H new ATOM 0 HA ARG A 61 3.636 6.792 -8.342 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.962 7.805 -6.009 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.382 8.645 -6.601 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.304 8.657 -8.921 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.849 8.015 -8.185 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.732 10.007 -6.672 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.194 10.647 -7.396 1.00 0.00 H new ATOM 0 HE ARG A 61 0.145 10.038 -9.405 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.247 12.444 -7.042 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.475 13.796 -7.878 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.856 11.786 -10.485 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.719 13.422 -9.833 1.00 0.00 H new ATOM 911 N LEU A 62 3.728 5.452 -5.351 1.00 0.00 N ATOM 912 CA LEU A 62 4.605 4.932 -4.316 1.00 0.00 C ATOM 913 C LEU A 62 5.548 3.893 -4.927 1.00 0.00 C ATOM 914 O LEU A 62 6.755 4.113 -5.001 1.00 0.00 O ATOM 915 CB LEU A 62 3.786 4.402 -3.137 1.00 0.00 C ATOM 916 CG LEU A 62 3.486 5.407 -2.023 1.00 0.00 C ATOM 917 CD1 LEU A 62 2.033 5.883 -2.092 1.00 0.00 C ATOM 918 CD2 LEU A 62 3.835 4.826 -0.651 1.00 0.00 C ATOM 0 H LEU A 62 2.741 5.225 -5.228 1.00 0.00 H new ATOM 0 HA LEU A 62 5.228 5.728 -3.909 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.839 4.021 -3.520 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.318 3.556 -2.702 1.00 0.00 H new ATOM 0 HG LEU A 62 4.119 6.282 -2.172 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.845 6.596 -1.290 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.853 6.363 -3.054 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.365 5.029 -1.982 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.612 5.561 0.123 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.246 3.926 -0.477 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.896 4.577 -0.620 1.00 0.00 H new ATOM 930 N ILE A 63 4.960 2.783 -5.348 1.00 0.00 N ATOM 931 CA ILE A 63 5.732 1.709 -5.950 1.00 0.00 C ATOM 932 C ILE A 63 6.791 2.307 -6.878 1.00 0.00 C ATOM 933 O ILE A 63 7.978 2.012 -6.743 1.00 0.00 O ATOM 934 CB ILE A 63 4.807 0.705 -6.639 1.00 0.00 C ATOM 935 CG1 ILE A 63 4.009 -0.101 -5.612 1.00 0.00 C ATOM 936 CG2 ILE A 63 5.592 -0.199 -7.592 1.00 0.00 C ATOM 937 CD1 ILE A 63 2.629 -0.471 -6.157 1.00 0.00 C ATOM 0 H ILE A 63 3.958 2.604 -5.284 1.00 0.00 H new ATOM 0 HA ILE A 63 6.262 1.144 -5.183 1.00 0.00 H new ATOM 0 HB ILE A 63 4.088 1.261 -7.241 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.556 -1.007 -5.351 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.898 0.479 -4.696 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.911 -0.904 -8.069 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.077 0.410 -8.355 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.349 -0.748 -7.032 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.083 -1.043 -5.407 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.076 0.438 -6.394 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.743 -1.072 -7.059 1.00 0.00 H new ATOM 949 N ASN A 64 6.324 3.137 -7.799 1.00 0.00 N ATOM 950 CA ASN A 64 7.217 3.779 -8.749 1.00 0.00 C ATOM 951 C ASN A 64 8.262 4.596 -7.988 1.00 0.00 C ATOM 952 O ASN A 64 9.440 4.587 -8.342 1.00 0.00 O ATOM 953 CB ASN A 64 6.449 4.731 -9.669 1.00 0.00 C ATOM 954 CG ASN A 64 7.216 4.973 -10.970 1.00 0.00 C ATOM 955 OD1 ASN A 64 7.214 4.163 -11.882 1.00 0.00 O ATOM 956 ND2 ASN A 64 7.870 6.131 -11.006 1.00 0.00 N ATOM 0 H ASN A 64 5.339 3.380 -7.908 1.00 0.00 H new ATOM 0 HA ASN A 64 7.689 3.000 -9.349 1.00 0.00 H new ATOM 0 HB2 ASN A 64 5.468 4.313 -9.893 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.282 5.680 -9.159 1.00 0.00 H new ATOM 0 HD21 ASN A 64 8.411 6.385 -11.832 1.00 0.00 H new ATOM 0 HD22 ASN A 64 7.830 6.764 -10.207 1.00 0.00 H new ATOM 963 N SER A 65 7.794 5.284 -6.957 1.00 0.00 N ATOM 964 CA SER A 65 8.674 6.105 -6.143 1.00 0.00 C ATOM 965 C SER A 65 9.697 5.223 -5.426 1.00 0.00 C ATOM 966 O SER A 65 10.703 5.719 -4.920 1.00 0.00 O ATOM 967 CB SER A 65 7.877 6.927 -5.128 1.00 0.00 C ATOM 968 OG SER A 65 8.712 7.811 -4.384 1.00 0.00 O ATOM 0 H SER A 65 6.816 5.290 -6.667 1.00 0.00 H new ATOM 0 HA SER A 65 9.199 6.799 -6.799 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.112 7.503 -5.649 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.359 6.255 -4.443 1.00 0.00 H new ATOM 0 HG SER A 65 9.620 7.445 -4.341 1.00 0.00 H new ATOM 974 N GLY A 66 9.406 3.931 -5.405 1.00 0.00 N ATOM 975 CA GLY A 66 10.289 2.975 -4.758 1.00 0.00 C ATOM 976 C GLY A 66 11.000 2.099 -5.791 1.00 0.00 C ATOM 977 O GLY A 66 11.817 1.251 -5.434 1.00 0.00 O ATOM 0 H GLY A 66 8.571 3.523 -5.826 1.00 0.00 H new ATOM 0 HA2 GLY A 66 11.027 3.506 -4.156 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.715 2.347 -4.077 1.00 0.00 H new ATOM 981 N GLY A 67 10.664 2.334 -7.050 1.00 0.00 N ATOM 982 CA GLY A 67 11.260 1.577 -8.138 1.00 0.00 C ATOM 983 C GLY A 67 10.527 0.251 -8.350 1.00 0.00 C ATOM 984 O GLY A 67 10.732 -0.422 -9.359 1.00 0.00 O ATOM 0 H GLY A 67 9.986 3.038 -7.342 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.228 2.165 -9.055 1.00 0.00 H new ATOM 0 HA3 GLY A 67 12.310 1.385 -7.919 1.00 0.00 H new ATOM 988 N GLY A 68 9.685 -0.084 -7.383 1.00 0.00 N ATOM 989 CA GLY A 68 8.920 -1.317 -7.452 1.00 0.00 C ATOM 990 C GLY A 68 8.132 -1.402 -8.761 1.00 0.00 C ATOM 991 O GLY A 68 7.894 -0.386 -9.413 1.00 0.00 O ATOM 0 H GLY A 68 9.516 0.477 -6.548 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.592 -2.171 -7.372 1.00 0.00 H new ATOM 0 HA3 GLY A 68 8.234 -1.371 -6.607 1.00 0.00 H new ATOM 995 N VAL A 69 7.751 -2.622 -9.107 1.00 0.00 N ATOM 996 CA VAL A 69 6.996 -2.853 -10.326 1.00 0.00 C ATOM 997 C VAL A 69 5.544 -3.179 -9.969 1.00 0.00 C ATOM 998 O VAL A 69 5.261 -4.242 -9.419 1.00 0.00 O ATOM 999 CB VAL A 69 7.667 -3.948 -11.158 1.00 0.00 C ATOM 1000 CG1 VAL A 69 6.679 -4.565 -12.151 1.00 0.00 C ATOM 1001 CG2 VAL A 69 8.903 -3.408 -11.880 1.00 0.00 C ATOM 0 H VAL A 69 7.951 -3.462 -8.564 1.00 0.00 H new ATOM 0 HA VAL A 69 6.985 -1.955 -10.943 1.00 0.00 H new ATOM 0 HB VAL A 69 7.993 -4.734 -10.477 1.00 0.00 H new ATOM 0 HG11 VAL A 69 7.181 -5.340 -12.730 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.842 -5.003 -11.607 1.00 0.00 H new ATOM 0 HG13 VAL A 69 6.309 -3.792 -12.824 1.00 0.00 H new ATOM 0 HG21 VAL A 69 9.361 -4.206 -12.464 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.610 -2.595 -12.544 1.00 0.00 H new ATOM 0 HG23 VAL A 69 9.620 -3.038 -11.147 1.00 0.00 H new ATOM 1011 N ARG A 70 4.664 -2.245 -10.295 1.00 0.00 N ATOM 1012 CA ARG A 70 3.248 -2.419 -10.015 1.00 0.00 C ATOM 1013 C ARG A 70 2.588 -3.252 -11.116 1.00 0.00 C ATOM 1014 O ARG A 70 2.209 -2.721 -12.158 1.00 0.00 O ATOM 1015 CB ARG A 70 2.537 -1.069 -9.911 1.00 0.00 C ATOM 1016 CG ARG A 70 1.072 -1.251 -9.509 1.00 0.00 C ATOM 1017 CD ARG A 70 0.154 -0.386 -10.376 1.00 0.00 C ATOM 1018 NE ARG A 70 0.284 -0.776 -11.797 1.00 0.00 N ATOM 1019 CZ ARG A 70 -0.657 -0.557 -12.726 1.00 0.00 C ATOM 1020 NH1 ARG A 70 -1.802 0.051 -12.388 1.00 0.00 N ATOM 1021 NH2 ARG A 70 -0.453 -0.946 -13.991 1.00 0.00 N ATOM 0 H ARG A 70 4.903 -1.364 -10.751 1.00 0.00 H new ATOM 0 HA ARG A 70 3.160 -2.937 -9.060 1.00 0.00 H new ATOM 0 HB2 ARG A 70 3.044 -0.442 -9.177 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.594 -0.549 -10.867 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.791 -2.299 -9.609 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.943 -0.986 -8.460 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -0.880 -0.501 -10.052 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.411 0.666 -10.254 1.00 0.00 H new ATOM 0 HE ARG A 70 1.144 -1.241 -12.088 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -1.957 0.347 -11.424 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -2.519 0.218 -13.094 1.00 0.00 H new ATOM 0 HH21 ARG A 70 0.419 -1.409 -14.248 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -1.169 -0.779 -14.698 1.00 0.00 H new ATOM 1035 N PHE A 71 2.471 -4.544 -10.846 1.00 0.00 N ATOM 1036 CA PHE A 71 1.864 -5.456 -11.800 1.00 0.00 C ATOM 1037 C PHE A 71 0.342 -5.293 -11.821 1.00 0.00 C ATOM 1038 O PHE A 71 -0.264 -4.954 -10.806 1.00 0.00 O ATOM 1039 CB PHE A 71 2.206 -6.875 -11.343 1.00 0.00 C ATOM 1040 CG PHE A 71 3.368 -7.512 -12.108 1.00 0.00 C ATOM 1041 CD1 PHE A 71 4.393 -6.739 -12.555 1.00 0.00 C ATOM 1042 CD2 PHE A 71 3.375 -8.852 -12.342 1.00 0.00 C ATOM 1043 CE1 PHE A 71 5.471 -7.330 -13.266 1.00 0.00 C ATOM 1044 CE2 PHE A 71 4.453 -9.443 -13.053 1.00 0.00 C ATOM 1045 CZ PHE A 71 5.478 -8.669 -13.500 1.00 0.00 C ATOM 0 H PHE A 71 2.786 -4.981 -9.980 1.00 0.00 H new ATOM 0 HA PHE A 71 2.239 -5.250 -12.802 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.451 -6.855 -10.281 1.00 0.00 H new ATOM 0 HB3 PHE A 71 1.323 -7.504 -11.454 1.00 0.00 H new ATOM 0 HD1 PHE A 71 4.388 -5.675 -12.369 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.561 -9.466 -11.987 1.00 0.00 H new ATOM 0 HE1 PHE A 71 6.285 -6.716 -13.621 1.00 0.00 H new ATOM 0 HE2 PHE A 71 4.459 -10.507 -13.239 1.00 0.00 H new ATOM 0 HZ PHE A 71 6.298 -9.118 -14.041 1.00 0.00 H new ATOM 1055 N ASN A 72 -0.231 -5.544 -12.989 1.00 0.00 N ATOM 1056 CA ASN A 72 -1.670 -5.429 -13.157 1.00 0.00 C ATOM 1057 C ASN A 72 -2.256 -6.811 -13.453 1.00 0.00 C ATOM 1058 O ASN A 72 -3.472 -6.963 -13.561 1.00 0.00 O ATOM 1059 CB ASN A 72 -2.016 -4.508 -14.328 1.00 0.00 C ATOM 1060 CG ASN A 72 -1.712 -5.184 -15.666 1.00 0.00 C ATOM 1061 OD1 ASN A 72 -0.600 -5.604 -15.940 1.00 0.00 O ATOM 1062 ND2 ASN A 72 -2.759 -5.265 -16.482 1.00 0.00 N ATOM 0 H ASN A 72 0.275 -5.827 -13.828 1.00 0.00 H new ATOM 0 HA ASN A 72 -2.085 -5.015 -12.238 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -3.071 -4.239 -14.284 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.447 -3.582 -14.247 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -2.658 -5.699 -17.399 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -3.663 -4.893 -16.190 1.00 0.00 H new ATOM 1069 N GLN A 73 -1.364 -7.783 -13.575 1.00 0.00 N ATOM 1070 CA GLN A 73 -1.778 -9.147 -13.856 1.00 0.00 C ATOM 1071 C GLN A 73 -1.349 -10.077 -12.719 1.00 0.00 C ATOM 1072 O GLN A 73 -0.285 -9.892 -12.129 1.00 0.00 O ATOM 1073 CB GLN A 73 -1.217 -9.625 -15.196 1.00 0.00 C ATOM 1074 CG GLN A 73 -1.722 -8.751 -16.346 1.00 0.00 C ATOM 1075 CD GLN A 73 -1.644 -9.498 -17.679 1.00 0.00 C ATOM 1076 OE1 GLN A 73 -0.760 -9.281 -18.490 1.00 0.00 O ATOM 1077 NE2 GLN A 73 -2.616 -10.388 -17.858 1.00 0.00 N ATOM 0 H GLN A 73 -0.356 -7.653 -13.484 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.866 -9.169 -13.926 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -0.128 -9.601 -15.168 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -1.508 -10.661 -15.367 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -2.752 -8.450 -16.154 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -1.129 -7.838 -16.401 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -3.326 -10.520 -17.137 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -2.652 -10.939 -18.716 1.00 0.00 H new ATOM 1086 N LEU A 74 -2.198 -11.057 -12.446 1.00 0.00 N ATOM 1087 CA LEU A 74 -1.920 -12.016 -11.390 1.00 0.00 C ATOM 1088 C LEU A 74 -1.119 -13.184 -11.967 1.00 0.00 C ATOM 1089 O LEU A 74 -1.599 -13.897 -12.846 1.00 0.00 O ATOM 1090 CB LEU A 74 -3.217 -12.441 -10.698 1.00 0.00 C ATOM 1091 CG LEU A 74 -3.166 -12.524 -9.171 1.00 0.00 C ATOM 1092 CD1 LEU A 74 -1.818 -13.069 -8.696 1.00 0.00 C ATOM 1093 CD2 LEU A 74 -3.493 -11.171 -8.537 1.00 0.00 C ATOM 0 H LEU A 74 -3.079 -11.208 -12.938 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.306 -11.561 -10.613 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.002 -11.738 -10.978 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.510 -13.417 -11.086 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.931 -13.227 -8.842 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.809 -13.118 -7.607 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.665 -14.068 -9.105 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.019 -12.411 -9.037 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.450 -11.258 -7.451 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.768 -10.428 -8.871 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.494 -10.861 -8.837 1.00 0.00 H new ATOM 1105 N ASN A 75 0.090 -13.344 -11.448 1.00 0.00 N ATOM 1106 CA ASN A 75 0.963 -14.414 -11.900 1.00 0.00 C ATOM 1107 C ASN A 75 1.983 -14.731 -10.805 1.00 0.00 C ATOM 1108 O ASN A 75 2.170 -13.944 -9.878 1.00 0.00 O ATOM 1109 CB ASN A 75 1.732 -14.002 -13.158 1.00 0.00 C ATOM 1110 CG ASN A 75 1.944 -12.488 -13.200 1.00 0.00 C ATOM 1111 OD1 ASN A 75 2.604 -11.903 -12.357 1.00 0.00 O ATOM 1112 ND2 ASN A 75 1.349 -11.887 -14.227 1.00 0.00 N ATOM 0 H ASN A 75 0.485 -12.750 -10.719 1.00 0.00 H new ATOM 0 HA ASN A 75 0.344 -15.283 -12.123 1.00 0.00 H new ATOM 0 HB2 ASN A 75 2.697 -14.509 -13.181 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.184 -14.321 -14.044 1.00 0.00 H new ATOM 0 HD21 ASN A 75 1.431 -10.877 -14.344 1.00 0.00 H new ATOM 0 HD22 ASN A 75 0.811 -12.436 -14.897 1.00 0.00 H new ATOM 1119 N GLU A 76 2.616 -15.886 -10.948 1.00 0.00 N ATOM 1120 CA GLU A 76 3.612 -16.318 -9.982 1.00 0.00 C ATOM 1121 C GLU A 76 4.725 -15.274 -9.865 1.00 0.00 C ATOM 1122 O GLU A 76 5.474 -15.266 -8.889 1.00 0.00 O ATOM 1123 CB GLU A 76 4.183 -17.687 -10.356 1.00 0.00 C ATOM 1124 CG GLU A 76 3.062 -18.701 -10.595 1.00 0.00 C ATOM 1125 CD GLU A 76 3.615 -20.126 -10.656 1.00 0.00 C ATOM 1126 OE1 GLU A 76 4.695 -20.341 -10.065 1.00 0.00 O ATOM 1127 OE2 GLU A 76 2.946 -20.968 -11.292 1.00 0.00 O ATOM 0 H GLU A 76 2.459 -16.536 -11.718 1.00 0.00 H new ATOM 0 HA GLU A 76 3.128 -16.417 -9.010 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.795 -17.597 -11.254 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.836 -18.043 -9.559 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.324 -18.627 -9.796 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.547 -18.467 -11.527 1.00 0.00 H new ATOM 1134 N ASP A 77 4.799 -14.418 -10.874 1.00 0.00 N ATOM 1135 CA ASP A 77 5.808 -13.373 -10.896 1.00 0.00 C ATOM 1136 C ASP A 77 5.591 -12.436 -9.706 1.00 0.00 C ATOM 1137 O ASP A 77 6.550 -12.013 -9.062 1.00 0.00 O ATOM 1138 CB ASP A 77 5.710 -12.541 -12.177 1.00 0.00 C ATOM 1139 CG ASP A 77 6.908 -12.665 -13.120 1.00 0.00 C ATOM 1140 OD1 ASP A 77 7.406 -13.803 -13.259 1.00 0.00 O ATOM 1141 OD2 ASP A 77 7.298 -11.618 -13.682 1.00 0.00 O ATOM 0 H ASP A 77 4.177 -14.427 -11.682 1.00 0.00 H new ATOM 0 HA ASP A 77 6.788 -13.848 -10.848 1.00 0.00 H new ATOM 0 HB2 ASP A 77 4.810 -12.836 -12.716 1.00 0.00 H new ATOM 0 HB3 ASP A 77 5.589 -11.493 -11.904 1.00 0.00 H new ATOM 1146 N VAL A 78 4.325 -12.138 -9.451 1.00 0.00 N ATOM 1147 CA VAL A 78 3.971 -11.259 -8.349 1.00 0.00 C ATOM 1148 C VAL A 78 4.643 -11.757 -7.068 1.00 0.00 C ATOM 1149 O VAL A 78 4.591 -12.946 -6.757 1.00 0.00 O ATOM 1150 CB VAL A 78 2.449 -11.161 -8.227 1.00 0.00 C ATOM 1151 CG1 VAL A 78 2.049 -10.383 -6.972 1.00 0.00 C ATOM 1152 CG2 VAL A 78 1.837 -10.533 -9.480 1.00 0.00 C ATOM 0 H VAL A 78 3.532 -12.489 -9.988 1.00 0.00 H new ATOM 0 HA VAL A 78 4.335 -10.248 -8.534 1.00 0.00 H new ATOM 0 HB VAL A 78 2.055 -12.173 -8.134 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.962 -10.328 -6.909 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.438 -10.891 -6.090 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.461 -9.375 -7.022 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.754 -10.475 -9.366 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.241 -9.530 -9.619 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.079 -11.145 -10.349 1.00 0.00 H new ATOM 1162 N THR A 79 5.259 -10.822 -6.359 1.00 0.00 N ATOM 1163 CA THR A 79 5.940 -11.150 -5.119 1.00 0.00 C ATOM 1164 C THR A 79 5.121 -10.674 -3.918 1.00 0.00 C ATOM 1165 O THR A 79 5.346 -11.118 -2.793 1.00 0.00 O ATOM 1166 CB THR A 79 7.344 -10.545 -5.176 1.00 0.00 C ATOM 1167 OG1 THR A 79 7.116 -9.164 -5.446 1.00 0.00 O ATOM 1168 CG2 THR A 79 8.144 -11.033 -6.385 1.00 0.00 C ATOM 0 H THR A 79 5.300 -9.837 -6.620 1.00 0.00 H new ATOM 0 HA THR A 79 6.040 -12.228 -4.996 1.00 0.00 H new ATOM 0 HB THR A 79 7.882 -10.792 -4.261 1.00 0.00 H new ATOM 0 HG1 THR A 79 6.579 -8.774 -4.725 1.00 0.00 H new ATOM 0 HG21 THR A 79 9.132 -10.573 -6.377 1.00 0.00 H new ATOM 0 HG22 THR A 79 8.248 -12.117 -6.339 1.00 0.00 H new ATOM 0 HG23 THR A 79 7.623 -10.757 -7.302 1.00 0.00 H new ATOM 1176 N HIS A 80 4.189 -9.775 -4.197 1.00 0.00 N ATOM 1177 CA HIS A 80 3.335 -9.233 -3.154 1.00 0.00 C ATOM 1178 C HIS A 80 2.096 -8.594 -3.784 1.00 0.00 C ATOM 1179 O HIS A 80 2.182 -7.984 -4.849 1.00 0.00 O ATOM 1180 CB HIS A 80 4.114 -8.263 -2.263 1.00 0.00 C ATOM 1181 CG HIS A 80 5.580 -8.600 -2.125 1.00 0.00 C ATOM 1182 ND1 HIS A 80 6.479 -8.480 -3.170 1.00 0.00 N ATOM 1183 CD2 HIS A 80 6.293 -9.052 -1.053 1.00 0.00 C ATOM 1184 CE1 HIS A 80 7.676 -8.847 -2.737 1.00 0.00 C ATOM 1185 NE2 HIS A 80 7.559 -9.201 -1.425 1.00 0.00 N ATOM 0 H HIS A 80 4.006 -9.408 -5.131 1.00 0.00 H new ATOM 0 HA HIS A 80 2.994 -10.039 -2.504 1.00 0.00 H new ATOM 0 HB2 HIS A 80 4.020 -7.256 -2.670 1.00 0.00 H new ATOM 0 HB3 HIS A 80 3.660 -8.250 -1.272 1.00 0.00 H new ATOM 0 HD2 HIS A 80 5.895 -9.254 -0.069 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.585 -8.863 -3.320 1.00 0.00 H new ATOM 0 HE2 HIS A 80 8.319 -9.527 -0.828 1.00 0.00 H new ATOM 1193 N VAL A 81 0.973 -8.756 -3.100 1.00 0.00 N ATOM 1194 CA VAL A 81 -0.282 -8.202 -3.580 1.00 0.00 C ATOM 1195 C VAL A 81 -0.839 -7.232 -2.536 1.00 0.00 C ATOM 1196 O VAL A 81 -1.327 -7.655 -1.489 1.00 0.00 O ATOM 1197 CB VAL A 81 -1.254 -9.332 -3.926 1.00 0.00 C ATOM 1198 CG1 VAL A 81 -2.545 -8.778 -4.532 1.00 0.00 C ATOM 1199 CG2 VAL A 81 -0.601 -10.350 -4.862 1.00 0.00 C ATOM 0 H VAL A 81 0.906 -9.263 -2.217 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.124 -7.635 -4.498 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.512 -9.847 -3.001 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.218 -9.602 -4.769 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.026 -8.111 -3.817 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.312 -8.227 -5.443 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.313 -11.142 -5.092 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.299 -9.855 -5.785 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.276 -10.780 -4.377 1.00 0.00 H new ATOM 1209 N ILE A 82 -0.746 -5.950 -2.857 1.00 0.00 N ATOM 1210 CA ILE A 82 -1.235 -4.917 -1.960 1.00 0.00 C ATOM 1211 C ILE A 82 -2.763 -4.877 -2.019 1.00 0.00 C ATOM 1212 O ILE A 82 -3.337 -4.328 -2.959 1.00 0.00 O ATOM 1213 CB ILE A 82 -0.572 -3.575 -2.276 1.00 0.00 C ATOM 1214 CG1 ILE A 82 0.948 -3.724 -2.376 1.00 0.00 C ATOM 1215 CG2 ILE A 82 -0.977 -2.509 -1.256 1.00 0.00 C ATOM 1216 CD1 ILE A 82 1.619 -3.404 -1.040 1.00 0.00 C ATOM 0 H ILE A 82 -0.339 -5.603 -3.726 1.00 0.00 H new ATOM 0 HA ILE A 82 -0.962 -5.147 -0.930 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.928 -3.240 -3.250 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.198 -4.741 -2.678 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.332 -3.058 -3.149 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -0.492 -1.565 -1.504 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.059 -2.377 -1.277 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -0.669 -2.824 -0.259 1.00 0.00 H new ATOM 0 HD11 ILE A 82 2.699 -3.518 -1.139 1.00 0.00 H new ATOM 0 HD12 ILE A 82 1.387 -2.379 -0.753 1.00 0.00 H new ATOM 0 HD13 ILE A 82 1.251 -4.087 -0.275 1.00 0.00 H new ATOM 1228 N VAL A 83 -3.379 -5.465 -1.004 1.00 0.00 N ATOM 1229 CA VAL A 83 -4.830 -5.503 -0.929 1.00 0.00 C ATOM 1230 C VAL A 83 -5.318 -4.388 -0.003 1.00 0.00 C ATOM 1231 O VAL A 83 -4.880 -4.292 1.143 1.00 0.00 O ATOM 1232 CB VAL A 83 -5.294 -6.893 -0.489 1.00 0.00 C ATOM 1233 CG1 VAL A 83 -6.821 -6.960 -0.407 1.00 0.00 C ATOM 1234 CG2 VAL A 83 -4.748 -7.975 -1.422 1.00 0.00 C ATOM 0 H VAL A 83 -2.900 -5.919 -0.226 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.269 -5.324 -1.911 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.895 -7.079 0.508 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.125 -7.958 -0.092 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.179 -6.227 0.316 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.248 -6.743 -1.386 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.093 -8.953 -1.086 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.103 -7.794 -2.437 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.658 -7.951 -1.409 1.00 0.00 H new ATOM 1244 N GLY A 84 -6.219 -3.574 -0.532 1.00 0.00 N ATOM 1245 CA GLY A 84 -6.771 -2.469 0.233 1.00 0.00 C ATOM 1246 C GLY A 84 -8.063 -2.884 0.940 1.00 0.00 C ATOM 1247 O GLY A 84 -8.196 -2.710 2.150 1.00 0.00 O ATOM 0 H GLY A 84 -6.581 -3.658 -1.482 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.042 -2.131 0.969 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -6.969 -1.626 -0.429 1.00 0.00 H new ATOM 1251 N ASP A 85 -8.982 -3.425 0.154 1.00 0.00 N ATOM 1252 CA ASP A 85 -10.259 -3.866 0.689 1.00 0.00 C ATOM 1253 C ASP A 85 -10.429 -5.363 0.424 1.00 0.00 C ATOM 1254 O ASP A 85 -10.858 -6.109 1.303 1.00 0.00 O ATOM 1255 CB ASP A 85 -11.421 -3.132 0.018 1.00 0.00 C ATOM 1256 CG ASP A 85 -12.594 -2.797 0.941 1.00 0.00 C ATOM 1257 OD1 ASP A 85 -13.164 -3.755 1.506 1.00 0.00 O ATOM 1258 OD2 ASP A 85 -12.895 -1.589 1.060 1.00 0.00 O ATOM 0 H ASP A 85 -8.868 -3.568 -0.849 1.00 0.00 H new ATOM 0 HA ASP A 85 -10.268 -3.653 1.758 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.044 -2.206 -0.416 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.790 -3.743 -0.806 1.00 0.00 H new ATOM 1263 N TYR A 86 -10.084 -5.759 -0.793 1.00 0.00 N ATOM 1264 CA TYR A 86 -10.192 -7.154 -1.185 1.00 0.00 C ATOM 1265 C TYR A 86 -9.618 -7.376 -2.586 1.00 0.00 C ATOM 1266 O TYR A 86 -9.579 -6.453 -3.398 1.00 0.00 O ATOM 1267 CB TYR A 86 -11.689 -7.471 -1.204 1.00 0.00 C ATOM 1268 CG TYR A 86 -12.389 -7.089 -2.510 1.00 0.00 C ATOM 1269 CD1 TYR A 86 -12.119 -5.875 -3.108 1.00 0.00 C ATOM 1270 CD2 TYR A 86 -13.292 -7.958 -3.088 1.00 0.00 C ATOM 1271 CE1 TYR A 86 -12.778 -5.516 -4.337 1.00 0.00 C ATOM 1272 CE2 TYR A 86 -13.951 -7.598 -4.317 1.00 0.00 C ATOM 1273 CZ TYR A 86 -13.662 -6.395 -4.881 1.00 0.00 C ATOM 1274 OH TYR A 86 -14.284 -6.055 -6.041 1.00 0.00 O ATOM 0 H TYR A 86 -9.730 -5.138 -1.520 1.00 0.00 H new ATOM 0 HA TYR A 86 -9.638 -7.791 -0.495 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -11.826 -8.538 -1.029 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -12.171 -6.948 -0.378 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -11.414 -5.194 -2.654 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -13.504 -8.907 -2.619 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -12.575 -4.570 -4.816 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -14.659 -8.269 -4.780 1.00 0.00 H new ATOM 0 HH TYR A 86 -14.412 -6.856 -6.591 1.00 0.00 H new ATOM 1284 N ASP A 87 -9.187 -8.605 -2.826 1.00 0.00 N ATOM 1285 CA ASP A 87 -8.617 -8.960 -4.114 1.00 0.00 C ATOM 1286 C ASP A 87 -9.437 -10.092 -4.736 1.00 0.00 C ATOM 1287 O ASP A 87 -9.438 -11.213 -4.231 1.00 0.00 O ATOM 1288 CB ASP A 87 -7.175 -9.450 -3.962 1.00 0.00 C ATOM 1289 CG ASP A 87 -6.283 -9.223 -5.184 1.00 0.00 C ATOM 1290 OD1 ASP A 87 -6.710 -9.637 -6.284 1.00 0.00 O ATOM 1291 OD2 ASP A 87 -5.194 -8.640 -4.991 1.00 0.00 O ATOM 0 H ASP A 87 -9.221 -9.368 -2.150 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.632 -8.072 -4.745 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.725 -8.949 -3.105 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.191 -10.516 -3.736 1.00 0.00 H new ATOM 1296 N ASP A 88 -10.117 -9.758 -5.823 1.00 0.00 N ATOM 1297 CA ASP A 88 -10.940 -10.732 -6.520 1.00 0.00 C ATOM 1298 C ASP A 88 -10.039 -11.683 -7.310 1.00 0.00 C ATOM 1299 O ASP A 88 -10.093 -12.897 -7.120 1.00 0.00 O ATOM 1300 CB ASP A 88 -11.887 -10.048 -7.507 1.00 0.00 C ATOM 1301 CG ASP A 88 -12.719 -8.907 -6.919 1.00 0.00 C ATOM 1302 OD1 ASP A 88 -12.096 -7.910 -6.495 1.00 0.00 O ATOM 1303 OD2 ASP A 88 -13.960 -9.057 -6.908 1.00 0.00 O ATOM 0 H ASP A 88 -10.115 -8.826 -6.238 1.00 0.00 H new ATOM 0 HA ASP A 88 -11.525 -11.273 -5.776 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -11.301 -9.659 -8.339 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -12.564 -10.798 -7.917 1.00 0.00 H new ATOM 1308 N GLU A 89 -9.231 -11.095 -8.181 1.00 0.00 N ATOM 1309 CA GLU A 89 -8.320 -11.874 -9.001 1.00 0.00 C ATOM 1310 C GLU A 89 -7.570 -12.892 -8.140 1.00 0.00 C ATOM 1311 O GLU A 89 -7.623 -14.093 -8.403 1.00 0.00 O ATOM 1312 CB GLU A 89 -7.344 -10.966 -9.751 1.00 0.00 C ATOM 1313 CG GLU A 89 -7.648 -10.954 -11.251 1.00 0.00 C ATOM 1314 CD GLU A 89 -8.415 -9.689 -11.644 1.00 0.00 C ATOM 1315 OE1 GLU A 89 -7.953 -8.598 -11.246 1.00 0.00 O ATOM 1316 OE2 GLU A 89 -9.445 -9.842 -12.335 1.00 0.00 O ATOM 0 H GLU A 89 -9.189 -10.088 -8.336 1.00 0.00 H new ATOM 0 HA GLU A 89 -8.905 -12.416 -9.744 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.408 -9.952 -9.355 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.323 -11.309 -9.586 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.717 -11.009 -11.815 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.233 -11.835 -11.514 1.00 0.00 H new ATOM 1323 N LEU A 90 -6.887 -12.376 -7.129 1.00 0.00 N ATOM 1324 CA LEU A 90 -6.127 -13.225 -6.227 1.00 0.00 C ATOM 1325 C LEU A 90 -6.928 -14.495 -5.933 1.00 0.00 C ATOM 1326 O LEU A 90 -6.488 -15.598 -6.252 1.00 0.00 O ATOM 1327 CB LEU A 90 -5.723 -12.448 -4.973 1.00 0.00 C ATOM 1328 CG LEU A 90 -4.592 -13.057 -4.142 1.00 0.00 C ATOM 1329 CD1 LEU A 90 -3.917 -14.207 -4.894 1.00 0.00 C ATOM 1330 CD2 LEU A 90 -3.588 -11.986 -3.713 1.00 0.00 C ATOM 0 H LEU A 90 -6.844 -11.380 -6.914 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.193 -13.538 -6.694 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.426 -11.443 -5.272 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.601 -12.345 -4.335 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.024 -13.476 -3.233 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -3.117 -14.622 -4.281 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.652 -14.984 -5.106 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.501 -13.835 -5.830 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.795 -12.446 -3.124 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.157 -11.516 -4.597 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.095 -11.232 -3.112 1.00 0.00 H new ATOM 1342 N LYS A 91 -8.089 -14.297 -5.328 1.00 0.00 N ATOM 1343 CA LYS A 91 -8.956 -15.413 -4.987 1.00 0.00 C ATOM 1344 C LYS A 91 -8.962 -16.418 -6.140 1.00 0.00 C ATOM 1345 O LYS A 91 -8.806 -17.619 -5.922 1.00 0.00 O ATOM 1346 CB LYS A 91 -10.348 -14.911 -4.601 1.00 0.00 C ATOM 1347 CG LYS A 91 -10.331 -14.256 -3.218 1.00 0.00 C ATOM 1348 CD LYS A 91 -11.618 -13.466 -2.969 1.00 0.00 C ATOM 1349 CE LYS A 91 -11.575 -12.763 -1.611 1.00 0.00 C ATOM 1350 NZ LYS A 91 -12.301 -13.556 -0.594 1.00 0.00 N ATOM 0 H LYS A 91 -8.450 -13.380 -5.065 1.00 0.00 H new ATOM 0 HA LYS A 91 -8.577 -15.936 -4.109 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.698 -14.193 -5.343 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -11.052 -15.743 -4.605 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.216 -15.021 -2.451 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.471 -13.591 -3.137 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -11.755 -12.729 -3.760 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -12.475 -14.138 -3.008 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.540 -12.622 -1.300 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -12.020 -11.772 -1.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -12.262 -13.065 0.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -13.293 -13.668 -0.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.859 -14.493 -0.503 1.00 0.00 H new ATOM 1364 N GLN A 92 -9.144 -15.891 -7.342 1.00 0.00 N ATOM 1365 CA GLN A 92 -9.173 -16.727 -8.530 1.00 0.00 C ATOM 1366 C GLN A 92 -7.781 -17.293 -8.815 1.00 0.00 C ATOM 1367 O GLN A 92 -7.619 -18.502 -8.976 1.00 0.00 O ATOM 1368 CB GLN A 92 -9.707 -15.950 -9.735 1.00 0.00 C ATOM 1369 CG GLN A 92 -10.969 -15.167 -9.367 1.00 0.00 C ATOM 1370 CD GLN A 92 -12.178 -15.674 -10.155 1.00 0.00 C ATOM 1371 OE1 GLN A 92 -12.459 -15.239 -11.259 1.00 0.00 O ATOM 1372 NE2 GLN A 92 -12.875 -16.617 -9.528 1.00 0.00 N ATOM 0 H GLN A 92 -9.273 -14.895 -7.519 1.00 0.00 H new ATOM 0 HA GLN A 92 -9.852 -17.560 -8.347 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -8.942 -15.264 -10.098 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -9.928 -16.641 -10.549 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -11.161 -15.262 -8.298 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -10.816 -14.107 -9.571 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -12.585 -16.936 -8.604 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -13.700 -17.021 -9.971 1.00 0.00 H new ATOM 1381 N PHE A 93 -6.811 -16.392 -8.868 1.00 0.00 N ATOM 1382 CA PHE A 93 -5.437 -16.786 -9.131 1.00 0.00 C ATOM 1383 C PHE A 93 -4.970 -17.846 -8.132 1.00 0.00 C ATOM 1384 O PHE A 93 -4.076 -18.636 -8.432 1.00 0.00 O ATOM 1385 CB PHE A 93 -4.574 -15.533 -8.969 1.00 0.00 C ATOM 1386 CG PHE A 93 -3.075 -15.821 -8.862 1.00 0.00 C ATOM 1387 CD1 PHE A 93 -2.353 -16.093 -9.982 1.00 0.00 C ATOM 1388 CD2 PHE A 93 -2.464 -15.804 -7.647 1.00 0.00 C ATOM 1389 CE1 PHE A 93 -0.962 -16.360 -9.883 1.00 0.00 C ATOM 1390 CE2 PHE A 93 -1.073 -16.070 -7.547 1.00 0.00 C ATOM 1391 CZ PHE A 93 -0.351 -16.342 -8.667 1.00 0.00 C ATOM 0 H PHE A 93 -6.949 -15.390 -8.733 1.00 0.00 H new ATOM 0 HA PHE A 93 -5.356 -17.209 -10.132 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -4.747 -14.872 -9.819 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -4.895 -14.996 -8.077 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -2.838 -16.106 -10.947 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -3.037 -15.588 -6.758 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -0.389 -16.577 -10.772 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -0.588 -16.056 -6.582 1.00 0.00 H new ATOM 0 HZ PHE A 93 0.707 -16.544 -8.591 1.00 0.00 H new ATOM 1401 N TRP A 94 -5.597 -17.830 -6.965 1.00 0.00 N ATOM 1402 CA TRP A 94 -5.256 -18.780 -5.919 1.00 0.00 C ATOM 1403 C TRP A 94 -5.786 -20.153 -6.338 1.00 0.00 C ATOM 1404 O TRP A 94 -5.435 -21.168 -5.737 1.00 0.00 O ATOM 1405 CB TRP A 94 -5.795 -18.320 -4.563 1.00 0.00 C ATOM 1406 CG TRP A 94 -4.753 -17.628 -3.682 1.00 0.00 C ATOM 1407 CD1 TRP A 94 -3.427 -17.824 -3.663 1.00 0.00 C ATOM 1408 CD2 TRP A 94 -5.005 -16.614 -2.687 1.00 0.00 C ATOM 1409 NE1 TRP A 94 -2.809 -17.014 -2.732 1.00 0.00 N ATOM 1410 CE2 TRP A 94 -3.799 -16.255 -2.120 1.00 0.00 C ATOM 1411 CE3 TRP A 94 -6.212 -16.020 -2.279 1.00 0.00 C ATOM 1412 CZ2 TRP A 94 -3.683 -15.289 -1.113 1.00 0.00 C ATOM 1413 CZ3 TRP A 94 -6.079 -15.057 -1.272 1.00 0.00 C ATOM 1414 CH2 TRP A 94 -4.873 -14.684 -0.690 1.00 0.00 C ATOM 0 H TRP A 94 -6.339 -17.174 -6.720 1.00 0.00 H new ATOM 0 HA TRP A 94 -4.175 -18.846 -5.795 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -6.628 -17.637 -4.727 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -6.191 -19.184 -4.029 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -2.907 -18.527 -4.297 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -1.810 -16.979 -2.530 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -7.167 -16.286 -2.709 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -2.727 -15.025 -0.685 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -6.977 -14.569 -0.922 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -4.854 -13.931 0.084 1.00 0.00 H new ATOM 1425 N ASN A 95 -6.623 -20.141 -7.365 1.00 0.00 N ATOM 1426 CA ASN A 95 -7.205 -21.373 -7.871 1.00 0.00 C ATOM 1427 C ASN A 95 -6.755 -21.588 -9.317 1.00 0.00 C ATOM 1428 O ASN A 95 -7.299 -22.438 -10.021 1.00 0.00 O ATOM 1429 CB ASN A 95 -8.733 -21.307 -7.856 1.00 0.00 C ATOM 1430 CG ASN A 95 -9.335 -22.644 -7.417 1.00 0.00 C ATOM 1431 OD1 ASN A 95 -8.639 -23.603 -7.129 1.00 0.00 O ATOM 1432 ND2 ASN A 95 -10.664 -22.652 -7.382 1.00 0.00 N ATOM 0 H ASN A 95 -6.912 -19.298 -7.861 1.00 0.00 H new ATOM 0 HA ASN A 95 -6.873 -22.191 -7.231 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -9.060 -20.517 -7.180 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -9.099 -21.048 -8.849 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -11.162 -23.497 -7.101 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -11.186 -21.813 -7.636 1.00 0.00 H new ATOM 1439 N LYS A 96 -5.766 -20.803 -9.719 1.00 0.00 N ATOM 1440 CA LYS A 96 -5.237 -20.896 -11.069 1.00 0.00 C ATOM 1441 C LYS A 96 -3.816 -21.462 -11.018 1.00 0.00 C ATOM 1442 O LYS A 96 -3.600 -22.635 -11.318 1.00 0.00 O ATOM 1443 CB LYS A 96 -5.335 -19.544 -11.778 1.00 0.00 C ATOM 1444 CG LYS A 96 -6.795 -19.166 -12.037 1.00 0.00 C ATOM 1445 CD LYS A 96 -6.890 -17.910 -12.906 1.00 0.00 C ATOM 1446 CE LYS A 96 -8.283 -17.774 -13.523 1.00 0.00 C ATOM 1447 NZ LYS A 96 -8.203 -17.107 -14.842 1.00 0.00 N ATOM 0 H LYS A 96 -5.317 -20.099 -9.133 1.00 0.00 H new ATOM 0 HA LYS A 96 -5.834 -21.586 -11.665 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -4.859 -18.775 -11.170 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -4.793 -19.584 -12.723 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -7.307 -19.993 -12.529 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -7.304 -18.996 -11.088 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -6.668 -17.029 -12.304 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -6.141 -17.953 -13.697 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -8.736 -18.759 -13.634 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -8.928 -17.200 -12.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -9.157 -17.023 -15.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -7.791 -16.159 -14.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -7.605 -17.670 -15.480 1.00 0.00 H new ATOM 1461 N SER A 97 -2.885 -20.601 -10.635 1.00 0.00 N ATOM 1462 CA SER A 97 -1.491 -21.000 -10.540 1.00 0.00 C ATOM 1463 C SER A 97 -1.144 -21.350 -9.092 1.00 0.00 C ATOM 1464 O SER A 97 -1.818 -20.907 -8.164 1.00 0.00 O ATOM 1465 CB SER A 97 -0.565 -19.896 -11.056 1.00 0.00 C ATOM 1466 OG SER A 97 -0.685 -19.713 -12.464 1.00 0.00 O ATOM 0 H SER A 97 -3.068 -19.629 -10.387 1.00 0.00 H new ATOM 0 HA SER A 97 -1.345 -21.881 -11.165 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.798 -18.960 -10.548 1.00 0.00 H new ATOM 0 HB3 SER A 97 0.467 -20.144 -10.809 1.00 0.00 H new ATOM 0 HG SER A 97 -0.080 -18.999 -12.754 1.00 0.00 H new ATOM 1472 N ALA A 98 -0.092 -22.143 -8.944 1.00 0.00 N ATOM 1473 CA ALA A 98 0.352 -22.557 -7.624 1.00 0.00 C ATOM 1474 C ALA A 98 1.452 -21.611 -7.140 1.00 0.00 C ATOM 1475 O ALA A 98 2.615 -21.763 -7.511 1.00 0.00 O ATOM 1476 CB ALA A 98 0.818 -24.014 -7.676 1.00 0.00 C ATOM 0 H ALA A 98 0.465 -22.509 -9.716 1.00 0.00 H new ATOM 0 HA ALA A 98 -0.469 -22.502 -6.909 1.00 0.00 H new ATOM 0 HB1 ALA A 98 1.151 -24.325 -6.686 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -0.008 -24.649 -7.997 1.00 0.00 H new ATOM 0 HB3 ALA A 98 1.643 -24.107 -8.382 1.00 0.00 H new ATOM 1482 N HIS A 99 1.046 -20.653 -6.319 1.00 0.00 N ATOM 1483 CA HIS A 99 1.983 -19.682 -5.781 1.00 0.00 C ATOM 1484 C HIS A 99 1.336 -18.939 -4.610 1.00 0.00 C ATOM 1485 O HIS A 99 0.112 -18.888 -4.504 1.00 0.00 O ATOM 1486 CB HIS A 99 2.480 -18.740 -6.879 1.00 0.00 C ATOM 1487 CG HIS A 99 3.459 -17.696 -6.397 1.00 0.00 C ATOM 1488 ND1 HIS A 99 4.731 -18.010 -5.951 1.00 0.00 N ATOM 1489 CD2 HIS A 99 3.339 -16.341 -6.296 1.00 0.00 C ATOM 1490 CE1 HIS A 99 5.340 -16.888 -5.599 1.00 0.00 C ATOM 1491 NE2 HIS A 99 4.476 -15.854 -5.813 1.00 0.00 N ATOM 0 H HIS A 99 0.081 -20.529 -6.014 1.00 0.00 H new ATOM 0 HA HIS A 99 2.865 -20.196 -5.398 1.00 0.00 H new ATOM 0 HB2 HIS A 99 2.952 -19.331 -7.664 1.00 0.00 H new ATOM 0 HB3 HIS A 99 1.623 -18.239 -7.329 1.00 0.00 H new ATOM 0 HD2 HIS A 99 2.467 -15.762 -6.563 1.00 0.00 H new ATOM 0 HE1 HIS A 99 6.344 -16.806 -5.211 1.00 0.00 H new ATOM 0 HE2 HIS A 99 4.671 -14.869 -5.632 1.00 0.00 H new ATOM 1499 N ARG A 100 2.187 -18.382 -3.761 1.00 0.00 N ATOM 1500 CA ARG A 100 1.714 -17.644 -2.603 1.00 0.00 C ATOM 1501 C ARG A 100 2.334 -16.246 -2.574 1.00 0.00 C ATOM 1502 O ARG A 100 3.402 -16.048 -1.998 1.00 0.00 O ATOM 1503 CB ARG A 100 2.062 -18.375 -1.304 1.00 0.00 C ATOM 1504 CG ARG A 100 1.328 -17.757 -0.113 1.00 0.00 C ATOM 1505 CD ARG A 100 0.060 -18.546 0.220 1.00 0.00 C ATOM 1506 NE ARG A 100 0.418 -19.898 0.704 1.00 0.00 N ATOM 1507 CZ ARG A 100 -0.430 -20.715 1.345 1.00 0.00 C ATOM 1508 NH1 ARG A 100 -1.689 -20.322 1.581 1.00 0.00 N ATOM 1509 NH2 ARG A 100 -0.018 -21.924 1.748 1.00 0.00 N ATOM 0 H ARG A 100 3.202 -18.427 -3.852 1.00 0.00 H new ATOM 0 HA ARG A 100 0.630 -17.563 -2.683 1.00 0.00 H new ATOM 0 HB2 ARG A 100 1.796 -19.428 -1.393 1.00 0.00 H new ATOM 0 HB3 ARG A 100 3.138 -18.331 -1.135 1.00 0.00 H new ATOM 0 HG2 ARG A 100 1.987 -17.738 0.755 1.00 0.00 H new ATOM 0 HG3 ARG A 100 1.068 -16.723 -0.338 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -0.517 -18.019 0.980 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -0.573 -18.623 -0.664 1.00 0.00 H new ATOM 0 HE ARG A 100 1.369 -20.229 0.540 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -2.002 -19.401 1.273 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -2.334 -20.943 2.069 1.00 0.00 H new ATOM 0 HH21 ARG A 100 0.940 -22.223 1.567 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -0.663 -22.546 2.236 1.00 0.00 H new ATOM 1523 N PRO A 101 1.618 -15.287 -3.221 1.00 0.00 N ATOM 1524 CA PRO A 101 2.087 -13.912 -3.275 1.00 0.00 C ATOM 1525 C PRO A 101 1.881 -13.210 -1.931 1.00 0.00 C ATOM 1526 O PRO A 101 0.852 -13.393 -1.282 1.00 0.00 O ATOM 1527 CB PRO A 101 1.300 -13.273 -4.407 1.00 0.00 C ATOM 1528 CG PRO A 101 0.096 -14.171 -4.637 1.00 0.00 C ATOM 1529 CD PRO A 101 0.349 -15.484 -3.915 1.00 0.00 C ATOM 0 HA PRO A 101 3.158 -13.839 -3.462 1.00 0.00 H new ATOM 0 HB2 PRO A 101 0.989 -12.262 -4.144 1.00 0.00 H new ATOM 0 HB3 PRO A 101 1.907 -13.195 -5.309 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -0.811 -13.697 -4.261 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -0.053 -14.344 -5.703 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -0.454 -15.712 -3.214 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.406 -16.317 -4.616 1.00 0.00 H new ATOM 1537 N HIS A 102 2.876 -12.420 -1.554 1.00 0.00 N ATOM 1538 CA HIS A 102 2.817 -11.688 -0.300 1.00 0.00 C ATOM 1539 C HIS A 102 1.632 -10.721 -0.326 1.00 0.00 C ATOM 1540 O HIS A 102 1.720 -9.641 -0.907 1.00 0.00 O ATOM 1541 CB HIS A 102 4.147 -10.989 -0.016 1.00 0.00 C ATOM 1542 CG HIS A 102 5.304 -11.935 0.204 1.00 0.00 C ATOM 1543 ND1 HIS A 102 5.281 -12.937 1.159 1.00 0.00 N ATOM 1544 CD2 HIS A 102 6.515 -12.022 -0.417 1.00 0.00 C ATOM 1545 CE1 HIS A 102 6.433 -13.590 1.107 1.00 0.00 C ATOM 1546 NE2 HIS A 102 7.196 -13.021 0.130 1.00 0.00 N ATOM 0 H HIS A 102 3.728 -12.271 -2.095 1.00 0.00 H new ATOM 0 HA HIS A 102 2.656 -12.383 0.524 1.00 0.00 H new ATOM 0 HB2 HIS A 102 4.384 -10.329 -0.851 1.00 0.00 H new ATOM 0 HB3 HIS A 102 4.033 -10.359 0.866 1.00 0.00 H new ATOM 0 HD2 HIS A 102 6.861 -11.386 -1.218 1.00 0.00 H new ATOM 0 HE1 HIS A 102 6.718 -14.426 1.729 1.00 0.00 H new ATOM 0 HE2 HIS A 102 8.136 -13.315 -0.136 1.00 0.00 H new ATOM 1554 N VAL A 103 0.550 -11.143 0.312 1.00 0.00 N ATOM 1555 CA VAL A 103 -0.651 -10.328 0.370 1.00 0.00 C ATOM 1556 C VAL A 103 -0.587 -9.419 1.599 1.00 0.00 C ATOM 1557 O VAL A 103 -0.562 -9.900 2.731 1.00 0.00 O ATOM 1558 CB VAL A 103 -1.892 -11.222 0.352 1.00 0.00 C ATOM 1559 CG1 VAL A 103 -2.317 -11.598 1.773 1.00 0.00 C ATOM 1560 CG2 VAL A 103 -3.041 -10.551 -0.404 1.00 0.00 C ATOM 0 H VAL A 103 0.480 -12.040 0.793 1.00 0.00 H new ATOM 0 HA VAL A 103 -0.718 -9.684 -0.507 1.00 0.00 H new ATOM 0 HB VAL A 103 -1.635 -12.141 -0.176 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -3.201 -12.234 1.732 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -1.506 -12.135 2.265 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -2.546 -10.693 2.336 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -3.911 -11.208 -0.402 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -3.296 -9.610 0.083 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -2.736 -10.357 -1.432 1.00 0.00 H new ATOM 1570 N VAL A 104 -0.561 -8.121 1.335 1.00 0.00 N ATOM 1571 CA VAL A 104 -0.500 -7.140 2.405 1.00 0.00 C ATOM 1572 C VAL A 104 -1.317 -5.909 2.010 1.00 0.00 C ATOM 1573 O VAL A 104 -1.842 -5.837 0.900 1.00 0.00 O ATOM 1574 CB VAL A 104 0.958 -6.811 2.731 1.00 0.00 C ATOM 1575 CG1 VAL A 104 1.704 -8.053 3.225 1.00 0.00 C ATOM 1576 CG2 VAL A 104 1.664 -6.193 1.522 1.00 0.00 C ATOM 0 H VAL A 104 -0.581 -7.726 0.395 1.00 0.00 H new ATOM 0 HA VAL A 104 -0.940 -7.542 3.317 1.00 0.00 H new ATOM 0 HB VAL A 104 0.963 -6.075 3.535 1.00 0.00 H new ATOM 0 HG11 VAL A 104 2.738 -7.791 3.450 1.00 0.00 H new ATOM 0 HG12 VAL A 104 1.222 -8.433 4.126 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.684 -8.821 2.452 1.00 0.00 H new ATOM 0 HG21 VAL A 104 2.699 -5.969 1.780 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.642 -6.896 0.689 1.00 0.00 H new ATOM 0 HG23 VAL A 104 1.154 -5.274 1.234 1.00 0.00 H new ATOM 1586 N GLY A 105 -1.399 -4.969 2.941 1.00 0.00 N ATOM 1587 CA GLY A 105 -2.143 -3.744 2.704 1.00 0.00 C ATOM 1588 C GLY A 105 -1.198 -2.575 2.419 1.00 0.00 C ATOM 1589 O GLY A 105 -0.076 -2.542 2.922 1.00 0.00 O ATOM 0 H GLY A 105 -0.962 -5.032 3.861 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -2.820 -3.883 1.861 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -2.759 -3.515 3.573 1.00 0.00 H new ATOM 1593 N ALA A 106 -1.687 -1.643 1.614 1.00 0.00 N ATOM 1594 CA ALA A 106 -0.900 -0.475 1.257 1.00 0.00 C ATOM 1595 C ALA A 106 -0.165 0.039 2.496 1.00 0.00 C ATOM 1596 O ALA A 106 0.978 0.484 2.405 1.00 0.00 O ATOM 1597 CB ALA A 106 -1.813 0.586 0.639 1.00 0.00 C ATOM 0 H ALA A 106 -2.618 -1.673 1.199 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.148 -0.733 0.512 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -1.223 1.462 0.371 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -2.288 0.181 -0.255 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -2.579 0.871 1.360 1.00 0.00 H new ATOM 1603 N LYS A 107 -0.851 -0.041 3.627 1.00 0.00 N ATOM 1604 CA LYS A 107 -0.278 0.411 4.884 1.00 0.00 C ATOM 1605 C LYS A 107 1.199 0.014 4.937 1.00 0.00 C ATOM 1606 O LYS A 107 2.051 0.827 5.290 1.00 0.00 O ATOM 1607 CB LYS A 107 -1.098 -0.112 6.065 1.00 0.00 C ATOM 1608 CG LYS A 107 -1.087 0.887 7.224 1.00 0.00 C ATOM 1609 CD LYS A 107 -2.281 0.661 8.154 1.00 0.00 C ATOM 1610 CE LYS A 107 -1.895 0.910 9.613 1.00 0.00 C ATOM 1611 NZ LYS A 107 -2.922 0.355 10.523 1.00 0.00 N ATOM 0 H LYS A 107 -1.798 -0.412 3.699 1.00 0.00 H new ATOM 0 HA LYS A 107 -0.320 1.498 4.953 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -2.125 -0.295 5.747 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -0.693 -1.067 6.399 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -0.159 0.786 7.787 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -1.114 1.904 6.833 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -3.097 1.326 7.872 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -2.647 -0.359 8.040 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -0.929 0.452 9.823 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -1.785 1.980 9.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -2.644 0.533 11.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -3.837 0.811 10.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -3.007 -0.670 10.367 1.00 0.00 H new ATOM 1625 N TRP A 108 1.456 -1.236 4.581 1.00 0.00 N ATOM 1626 CA TRP A 108 2.815 -1.751 4.584 1.00 0.00 C ATOM 1627 C TRP A 108 3.676 -0.816 3.733 1.00 0.00 C ATOM 1628 O TRP A 108 4.570 -0.147 4.249 1.00 0.00 O ATOM 1629 CB TRP A 108 2.853 -3.202 4.103 1.00 0.00 C ATOM 1630 CG TRP A 108 4.258 -3.715 3.780 1.00 0.00 C ATOM 1631 CD1 TRP A 108 5.211 -4.104 4.638 1.00 0.00 C ATOM 1632 CD2 TRP A 108 4.833 -3.879 2.467 1.00 0.00 C ATOM 1633 NE1 TRP A 108 6.354 -4.505 3.976 1.00 0.00 N ATOM 1634 CE2 TRP A 108 6.116 -4.364 2.614 1.00 0.00 C ATOM 1635 CE3 TRP A 108 4.286 -3.626 1.196 1.00 0.00 C ATOM 1636 CZ2 TRP A 108 6.961 -4.638 1.532 1.00 0.00 C ATOM 1637 CZ3 TRP A 108 5.143 -3.905 0.125 1.00 0.00 C ATOM 1638 CH2 TRP A 108 6.438 -4.394 0.256 1.00 0.00 C ATOM 0 H TRP A 108 0.746 -1.908 4.288 1.00 0.00 H new ATOM 0 HA TRP A 108 3.218 -1.770 5.597 1.00 0.00 H new ATOM 0 HB2 TRP A 108 2.412 -3.839 4.869 1.00 0.00 H new ATOM 0 HB3 TRP A 108 2.230 -3.295 3.213 1.00 0.00 H new ATOM 0 HD1 TRP A 108 5.099 -4.104 5.712 1.00 0.00 H new ATOM 0 HE1 TRP A 108 7.215 -4.843 4.407 1.00 0.00 H new ATOM 0 HE3 TRP A 108 3.284 -3.247 1.057 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 7.962 -5.017 1.674 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 4.772 -3.728 -0.874 1.00 0.00 H new ATOM 0 HH2 TRP A 108 7.038 -4.585 -0.622 1.00 0.00 H new ATOM 1649 N LEU A 109 3.377 -0.799 2.442 1.00 0.00 N ATOM 1650 CA LEU A 109 4.112 0.043 1.514 1.00 0.00 C ATOM 1651 C LEU A 109 4.394 1.395 2.172 1.00 0.00 C ATOM 1652 O LEU A 109 5.542 1.834 2.230 1.00 0.00 O ATOM 1653 CB LEU A 109 3.367 0.151 0.182 1.00 0.00 C ATOM 1654 CG LEU A 109 4.225 0.478 -1.042 1.00 0.00 C ATOM 1655 CD1 LEU A 109 5.498 -0.369 -1.061 1.00 0.00 C ATOM 1656 CD2 LEU A 109 3.417 0.329 -2.333 1.00 0.00 C ATOM 0 H LEU A 109 2.635 -1.355 2.017 1.00 0.00 H new ATOM 0 HA LEU A 109 5.077 -0.404 1.277 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.852 -0.792 -0.001 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.600 0.919 0.279 1.00 0.00 H new ATOM 0 HG LEU A 109 4.534 1.521 -0.974 1.00 0.00 H new ATOM 0 HD11 LEU A 109 6.090 -0.117 -1.941 1.00 0.00 H new ATOM 0 HD12 LEU A 109 6.081 -0.169 -0.162 1.00 0.00 H new ATOM 0 HD13 LEU A 109 5.232 -1.425 -1.093 1.00 0.00 H new ATOM 0 HD21 LEU A 109 4.050 0.567 -3.188 1.00 0.00 H new ATOM 0 HD22 LEU A 109 3.058 -0.697 -2.421 1.00 0.00 H new ATOM 0 HD23 LEU A 109 2.566 1.010 -2.310 1.00 0.00 H new ATOM 1668 N LEU A 110 3.328 2.018 2.652 1.00 0.00 N ATOM 1669 CA LEU A 110 3.446 3.311 3.304 1.00 0.00 C ATOM 1670 C LEU A 110 4.599 3.267 4.309 1.00 0.00 C ATOM 1671 O LEU A 110 5.559 4.026 4.191 1.00 0.00 O ATOM 1672 CB LEU A 110 2.108 3.725 3.920 1.00 0.00 C ATOM 1673 CG LEU A 110 0.893 3.656 2.993 1.00 0.00 C ATOM 1674 CD1 LEU A 110 -0.349 4.234 3.674 1.00 0.00 C ATOM 1675 CD2 LEU A 110 1.184 4.340 1.656 1.00 0.00 C ATOM 0 H LEU A 110 2.378 1.651 2.602 1.00 0.00 H new ATOM 0 HA LEU A 110 3.687 4.085 2.575 1.00 0.00 H new ATOM 0 HB2 LEU A 110 1.917 3.090 4.785 1.00 0.00 H new ATOM 0 HB3 LEU A 110 2.201 4.746 4.289 1.00 0.00 H new ATOM 0 HG LEU A 110 0.685 2.608 2.780 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -1.199 4.173 2.994 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -0.566 3.665 4.578 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -0.168 5.276 3.936 1.00 0.00 H new ATOM 0 HD21 LEU A 110 0.304 4.277 1.016 1.00 0.00 H new ATOM 0 HD22 LEU A 110 1.432 5.387 1.829 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.024 3.844 1.169 1.00 0.00 H new ATOM 1687 N GLU A 111 4.465 2.370 5.275 1.00 0.00 N ATOM 1688 CA GLU A 111 5.484 2.217 6.300 1.00 0.00 C ATOM 1689 C GLU A 111 6.848 1.958 5.658 1.00 0.00 C ATOM 1690 O GLU A 111 7.867 2.455 6.135 1.00 0.00 O ATOM 1691 CB GLU A 111 5.116 1.097 7.276 1.00 0.00 C ATOM 1692 CG GLU A 111 3.711 1.305 7.844 1.00 0.00 C ATOM 1693 CD GLU A 111 3.772 1.834 9.278 1.00 0.00 C ATOM 1694 OE1 GLU A 111 4.648 1.347 10.025 1.00 0.00 O ATOM 1695 OE2 GLU A 111 2.941 2.713 9.595 1.00 0.00 O ATOM 0 H GLU A 111 3.667 1.742 5.370 1.00 0.00 H new ATOM 0 HA GLU A 111 5.542 3.145 6.868 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.168 0.135 6.767 1.00 0.00 H new ATOM 0 HB3 GLU A 111 5.840 1.066 8.090 1.00 0.00 H new ATOM 0 HG2 GLU A 111 3.162 2.007 7.217 1.00 0.00 H new ATOM 0 HG3 GLU A 111 3.163 0.363 7.823 1.00 0.00 H new ATOM 1702 N CYS A 112 6.824 1.181 4.585 1.00 0.00 N ATOM 1703 CA CYS A 112 8.047 0.850 3.873 1.00 0.00 C ATOM 1704 C CYS A 112 8.692 2.153 3.396 1.00 0.00 C ATOM 1705 O CYS A 112 9.835 2.446 3.742 1.00 0.00 O ATOM 1706 CB CYS A 112 7.783 -0.114 2.714 1.00 0.00 C ATOM 1707 SG CYS A 112 6.898 -1.596 3.322 1.00 0.00 S ATOM 0 H CYS A 112 5.977 0.771 4.191 1.00 0.00 H new ATOM 0 HA CYS A 112 8.732 0.330 4.543 1.00 0.00 H new ATOM 0 HB2 CYS A 112 7.192 0.383 1.945 1.00 0.00 H new ATOM 0 HB3 CYS A 112 8.726 -0.407 2.252 1.00 0.00 H new ATOM 0 HG CYS A 112 7.004 -2.553 2.449 1.00 0.00 H new ATOM 1713 N PHE A 113 7.931 2.899 2.608 1.00 0.00 N ATOM 1714 CA PHE A 113 8.415 4.163 2.080 1.00 0.00 C ATOM 1715 C PHE A 113 8.595 5.192 3.199 1.00 0.00 C ATOM 1716 O PHE A 113 9.380 6.129 3.065 1.00 0.00 O ATOM 1717 CB PHE A 113 7.356 4.673 1.100 1.00 0.00 C ATOM 1718 CG PHE A 113 7.465 4.072 -0.302 1.00 0.00 C ATOM 1719 CD1 PHE A 113 8.355 4.584 -1.194 1.00 0.00 C ATOM 1720 CD2 PHE A 113 6.673 3.025 -0.658 1.00 0.00 C ATOM 1721 CE1 PHE A 113 8.457 4.027 -2.496 1.00 0.00 C ATOM 1722 CE2 PHE A 113 6.774 2.468 -1.959 1.00 0.00 C ATOM 1723 CZ PHE A 113 7.664 2.980 -2.851 1.00 0.00 C ATOM 0 H PHE A 113 6.983 2.652 2.323 1.00 0.00 H new ATOM 0 HA PHE A 113 9.381 4.019 1.597 1.00 0.00 H new ATOM 0 HB2 PHE A 113 6.367 4.453 1.503 1.00 0.00 H new ATOM 0 HB3 PHE A 113 7.436 5.758 1.026 1.00 0.00 H new ATOM 0 HD1 PHE A 113 8.985 5.415 -0.912 1.00 0.00 H new ATOM 0 HD2 PHE A 113 5.967 2.617 0.050 1.00 0.00 H new ATOM 0 HE1 PHE A 113 9.164 4.434 -3.204 1.00 0.00 H new ATOM 0 HE2 PHE A 113 6.144 1.637 -2.241 1.00 0.00 H new ATOM 0 HZ PHE A 113 7.741 2.555 -3.841 1.00 0.00 H new ATOM 1733 N SER A 114 7.854 4.982 4.277 1.00 0.00 N ATOM 1734 CA SER A 114 7.922 5.879 5.418 1.00 0.00 C ATOM 1735 C SER A 114 9.198 5.612 6.218 1.00 0.00 C ATOM 1736 O SER A 114 9.843 6.545 6.694 1.00 0.00 O ATOM 1737 CB SER A 114 6.691 5.725 6.314 1.00 0.00 C ATOM 1738 OG SER A 114 6.634 6.732 7.320 1.00 0.00 O ATOM 0 H SER A 114 7.203 4.204 4.384 1.00 0.00 H new ATOM 0 HA SER A 114 7.941 6.904 5.047 1.00 0.00 H new ATOM 0 HB2 SER A 114 5.790 5.772 5.703 1.00 0.00 H new ATOM 0 HB3 SER A 114 6.706 4.742 6.785 1.00 0.00 H new ATOM 0 HG SER A 114 5.834 6.600 7.870 1.00 0.00 H new ATOM 1744 N LYS A 115 9.525 4.334 6.341 1.00 0.00 N ATOM 1745 CA LYS A 115 10.712 3.933 7.076 1.00 0.00 C ATOM 1746 C LYS A 115 11.937 4.064 6.168 1.00 0.00 C ATOM 1747 O LYS A 115 13.055 4.238 6.649 1.00 0.00 O ATOM 1748 CB LYS A 115 10.530 2.532 7.665 1.00 0.00 C ATOM 1749 CG LYS A 115 9.180 2.407 8.373 1.00 0.00 C ATOM 1750 CD LYS A 115 9.356 2.405 9.893 1.00 0.00 C ATOM 1751 CE LYS A 115 8.738 1.151 10.515 1.00 0.00 C ATOM 1752 NZ LYS A 115 8.770 1.236 11.992 1.00 0.00 N ATOM 0 H LYS A 115 8.988 3.563 5.944 1.00 0.00 H new ATOM 0 HA LYS A 115 10.874 4.593 7.928 1.00 0.00 H new ATOM 0 HB2 LYS A 115 10.599 1.788 6.871 1.00 0.00 H new ATOM 0 HB3 LYS A 115 11.335 2.322 8.369 1.00 0.00 H new ATOM 0 HG2 LYS A 115 8.533 3.234 8.079 1.00 0.00 H new ATOM 0 HG3 LYS A 115 8.685 1.488 8.059 1.00 0.00 H new ATOM 0 HD2 LYS A 115 10.417 2.453 10.140 1.00 0.00 H new ATOM 0 HD3 LYS A 115 8.889 3.294 10.318 1.00 0.00 H new ATOM 0 HE2 LYS A 115 7.709 1.038 10.174 1.00 0.00 H new ATOM 0 HE3 LYS A 115 9.283 0.267 10.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 8.347 0.377 12.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 9.755 1.322 12.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 8.230 2.069 12.304 1.00 0.00 H new ATOM 1766 N GLY A 116 11.684 3.975 4.870 1.00 0.00 N ATOM 1767 CA GLY A 116 12.752 4.081 3.891 1.00 0.00 C ATOM 1768 C GLY A 116 13.219 2.697 3.436 1.00 0.00 C ATOM 1769 O GLY A 116 13.923 2.573 2.435 1.00 0.00 O ATOM 0 H GLY A 116 10.755 3.831 4.474 1.00 0.00 H new ATOM 0 HA2 GLY A 116 12.405 4.653 3.030 1.00 0.00 H new ATOM 0 HA3 GLY A 116 13.591 4.629 4.321 1.00 0.00 H new ATOM 1773 N TYR A 117 12.808 1.691 4.194 1.00 0.00 N ATOM 1774 CA TYR A 117 13.176 0.320 3.882 1.00 0.00 C ATOM 1775 C TYR A 117 11.990 -0.625 4.084 1.00 0.00 C ATOM 1776 O TYR A 117 11.229 -0.477 5.039 1.00 0.00 O ATOM 1777 CB TYR A 117 14.284 -0.054 4.867 1.00 0.00 C ATOM 1778 CG TYR A 117 13.772 -0.549 6.221 1.00 0.00 C ATOM 1779 CD1 TYR A 117 13.138 0.325 7.081 1.00 0.00 C ATOM 1780 CD2 TYR A 117 13.945 -1.869 6.583 1.00 0.00 C ATOM 1781 CE1 TYR A 117 12.656 -0.141 8.355 1.00 0.00 C ATOM 1782 CE2 TYR A 117 13.463 -2.335 7.858 1.00 0.00 C ATOM 1783 CZ TYR A 117 12.843 -1.448 8.681 1.00 0.00 C ATOM 1784 OH TYR A 117 12.388 -1.888 9.884 1.00 0.00 O ATOM 0 H TYR A 117 12.224 1.798 5.023 1.00 0.00 H new ATOM 0 HA TYR A 117 13.494 0.235 2.843 1.00 0.00 H new ATOM 0 HB2 TYR A 117 14.907 -0.829 4.420 1.00 0.00 H new ATOM 0 HB3 TYR A 117 14.922 0.815 5.027 1.00 0.00 H new ATOM 0 HD1 TYR A 117 13.004 1.359 6.798 1.00 0.00 H new ATOM 0 HD2 TYR A 117 14.442 -2.553 5.911 1.00 0.00 H new ATOM 0 HE1 TYR A 117 12.157 0.532 9.036 1.00 0.00 H new ATOM 0 HE2 TYR A 117 13.591 -3.366 8.154 1.00 0.00 H new ATOM 0 HH TYR A 117 12.590 -2.842 9.981 1.00 0.00 H new ATOM 1794 N MET A 118 11.869 -1.576 3.169 1.00 0.00 N ATOM 1795 CA MET A 118 10.789 -2.545 3.235 1.00 0.00 C ATOM 1796 C MET A 118 10.742 -3.222 4.606 1.00 0.00 C ATOM 1797 O MET A 118 11.779 -3.584 5.160 1.00 0.00 O ATOM 1798 CB MET A 118 10.987 -3.605 2.149 1.00 0.00 C ATOM 1799 CG MET A 118 10.721 -3.023 0.760 1.00 0.00 C ATOM 1800 SD MET A 118 11.531 -4.016 -0.483 1.00 0.00 S ATOM 1801 CE MET A 118 10.544 -5.499 -0.388 1.00 0.00 C ATOM 0 H MET A 118 12.502 -1.696 2.378 1.00 0.00 H new ATOM 0 HA MET A 118 9.846 -2.021 3.077 1.00 0.00 H new ATOM 0 HB2 MET A 118 12.005 -3.993 2.196 1.00 0.00 H new ATOM 0 HB3 MET A 118 10.317 -4.445 2.330 1.00 0.00 H new ATOM 0 HG2 MET A 118 9.648 -2.991 0.569 1.00 0.00 H new ATOM 0 HG3 MET A 118 11.084 -1.997 0.711 1.00 0.00 H new ATOM 0 HE1 MET A 118 10.847 -6.189 -1.175 1.00 0.00 H new ATOM 0 HE2 MET A 118 10.689 -5.971 0.584 1.00 0.00 H new ATOM 0 HE3 MET A 118 9.492 -5.244 -0.514 1.00 0.00 H new ATOM 1811 N LEU A 119 9.528 -3.371 5.116 1.00 0.00 N ATOM 1812 CA LEU A 119 9.332 -3.997 6.412 1.00 0.00 C ATOM 1813 C LEU A 119 8.661 -5.358 6.220 1.00 0.00 C ATOM 1814 O LEU A 119 8.294 -5.722 5.103 1.00 0.00 O ATOM 1815 CB LEU A 119 8.567 -3.061 7.349 1.00 0.00 C ATOM 1816 CG LEU A 119 8.863 -1.568 7.195 1.00 0.00 C ATOM 1817 CD1 LEU A 119 7.695 -0.721 7.706 1.00 0.00 C ATOM 1818 CD2 LEU A 119 10.181 -1.197 7.877 1.00 0.00 C ATOM 0 H LEU A 119 8.670 -3.069 4.654 1.00 0.00 H new ATOM 0 HA LEU A 119 10.292 -4.180 6.896 1.00 0.00 H new ATOM 0 HB2 LEU A 119 7.499 -3.217 7.194 1.00 0.00 H new ATOM 0 HB3 LEU A 119 8.786 -3.350 8.377 1.00 0.00 H new ATOM 0 HG LEU A 119 8.978 -1.351 6.133 1.00 0.00 H new ATOM 0 HD11 LEU A 119 7.932 0.336 7.585 1.00 0.00 H new ATOM 0 HD12 LEU A 119 6.796 -0.959 7.137 1.00 0.00 H new ATOM 0 HD13 LEU A 119 7.524 -0.936 8.761 1.00 0.00 H new ATOM 0 HD21 LEU A 119 10.367 -0.130 7.752 1.00 0.00 H new ATOM 0 HD22 LEU A 119 10.120 -1.433 8.939 1.00 0.00 H new ATOM 0 HD23 LEU A 119 10.996 -1.763 7.426 1.00 0.00 H new ATOM 1830 N SER A 120 8.520 -6.075 7.326 1.00 0.00 N ATOM 1831 CA SER A 120 7.899 -7.388 7.293 1.00 0.00 C ATOM 1832 C SER A 120 6.496 -7.288 6.692 1.00 0.00 C ATOM 1833 O SER A 120 5.756 -6.350 6.985 1.00 0.00 O ATOM 1834 CB SER A 120 7.835 -8.002 8.693 1.00 0.00 C ATOM 1835 OG SER A 120 9.127 -8.132 9.279 1.00 0.00 O ATOM 0 H SER A 120 8.825 -5.771 8.250 1.00 0.00 H new ATOM 0 HA SER A 120 8.509 -8.040 6.668 1.00 0.00 H new ATOM 0 HB2 SER A 120 7.208 -7.381 9.333 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.362 -8.982 8.637 1.00 0.00 H new ATOM 0 HG SER A 120 9.043 -8.526 10.172 1.00 0.00 H new ATOM 1841 N GLU A 121 6.171 -8.269 5.862 1.00 0.00 N ATOM 1842 CA GLU A 121 4.870 -8.304 5.217 1.00 0.00 C ATOM 1843 C GLU A 121 3.911 -9.198 6.005 1.00 0.00 C ATOM 1844 O GLU A 121 2.711 -9.219 5.734 1.00 0.00 O ATOM 1845 CB GLU A 121 4.989 -8.773 3.766 1.00 0.00 C ATOM 1846 CG GLU A 121 5.664 -7.707 2.899 1.00 0.00 C ATOM 1847 CD GLU A 121 4.789 -7.343 1.698 1.00 0.00 C ATOM 1848 OE1 GLU A 121 4.011 -8.224 1.274 1.00 0.00 O ATOM 1849 OE2 GLU A 121 4.918 -6.190 1.231 1.00 0.00 O ATOM 0 H GLU A 121 6.787 -9.046 5.622 1.00 0.00 H new ATOM 0 HA GLU A 121 4.465 -7.292 5.205 1.00 0.00 H new ATOM 0 HB2 GLU A 121 5.564 -9.698 3.725 1.00 0.00 H new ATOM 0 HB3 GLU A 121 3.998 -8.996 3.370 1.00 0.00 H new ATOM 0 HG2 GLU A 121 5.857 -6.816 3.496 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.630 -8.073 2.552 1.00 0.00 H new ATOM 1856 N GLU A 122 4.475 -9.916 6.965 1.00 0.00 N ATOM 1857 CA GLU A 122 3.685 -10.810 7.794 1.00 0.00 C ATOM 1858 C GLU A 122 2.784 -10.005 8.733 1.00 0.00 C ATOM 1859 O GLU A 122 1.609 -10.329 8.899 1.00 0.00 O ATOM 1860 CB GLU A 122 4.584 -11.764 8.583 1.00 0.00 C ATOM 1861 CG GLU A 122 5.029 -12.942 7.713 1.00 0.00 C ATOM 1862 CD GLU A 122 5.408 -14.148 8.576 1.00 0.00 C ATOM 1863 OE1 GLU A 122 6.352 -13.996 9.380 1.00 0.00 O ATOM 1864 OE2 GLU A 122 4.744 -15.194 8.411 1.00 0.00 O ATOM 0 H GLU A 122 5.470 -9.897 7.187 1.00 0.00 H new ATOM 0 HA GLU A 122 3.053 -11.414 7.143 1.00 0.00 H new ATOM 0 HB2 GLU A 122 5.459 -11.226 8.949 1.00 0.00 H new ATOM 0 HB3 GLU A 122 4.049 -12.134 9.457 1.00 0.00 H new ATOM 0 HG2 GLU A 122 4.226 -13.217 7.029 1.00 0.00 H new ATOM 0 HG3 GLU A 122 5.881 -12.646 7.101 1.00 0.00 H new ATOM 1871 N PRO A 123 3.383 -8.945 9.337 1.00 0.00 N ATOM 1872 CA PRO A 123 2.647 -8.091 10.254 1.00 0.00 C ATOM 1873 C PRO A 123 1.694 -7.165 9.496 1.00 0.00 C ATOM 1874 O PRO A 123 1.034 -6.320 10.099 1.00 0.00 O ATOM 1875 CB PRO A 123 3.714 -7.338 11.033 1.00 0.00 C ATOM 1876 CG PRO A 123 4.987 -7.450 10.210 1.00 0.00 C ATOM 1877 CD PRO A 123 4.773 -8.531 9.163 1.00 0.00 C ATOM 0 HA PRO A 123 2.004 -8.655 10.929 1.00 0.00 H new ATOM 0 HB2 PRO A 123 3.431 -6.295 11.175 1.00 0.00 H new ATOM 0 HB3 PRO A 123 3.851 -7.769 12.025 1.00 0.00 H new ATOM 0 HG2 PRO A 123 5.218 -6.497 9.733 1.00 0.00 H new ATOM 0 HG3 PRO A 123 5.834 -7.700 10.849 1.00 0.00 H new ATOM 0 HD2 PRO A 123 4.950 -8.149 8.158 1.00 0.00 H new ATOM 0 HD3 PRO A 123 5.457 -9.367 9.311 1.00 0.00 H new ATOM 1885 N TYR A 124 1.653 -7.355 8.186 1.00 0.00 N ATOM 1886 CA TYR A 124 0.792 -6.547 7.339 1.00 0.00 C ATOM 1887 C TYR A 124 0.082 -7.411 6.295 1.00 0.00 C ATOM 1888 O TYR A 124 -0.171 -6.960 5.179 1.00 0.00 O ATOM 1889 CB TYR A 124 1.713 -5.557 6.624 1.00 0.00 C ATOM 1890 CG TYR A 124 2.228 -4.427 7.518 1.00 0.00 C ATOM 1891 CD1 TYR A 124 1.465 -3.293 7.705 1.00 0.00 C ATOM 1892 CD2 TYR A 124 3.455 -4.544 8.139 1.00 0.00 C ATOM 1893 CE1 TYR A 124 1.950 -2.230 8.547 1.00 0.00 C ATOM 1894 CE2 TYR A 124 3.940 -3.481 8.981 1.00 0.00 C ATOM 1895 CZ TYR A 124 3.163 -2.377 9.143 1.00 0.00 C ATOM 1896 OH TYR A 124 3.621 -1.373 9.939 1.00 0.00 O ATOM 0 H TYR A 124 2.202 -8.057 7.690 1.00 0.00 H new ATOM 0 HA TYR A 124 0.026 -6.050 7.934 1.00 0.00 H new ATOM 0 HB2 TYR A 124 2.565 -6.100 6.215 1.00 0.00 H new ATOM 0 HB3 TYR A 124 1.177 -5.123 5.780 1.00 0.00 H new ATOM 0 HD1 TYR A 124 0.504 -3.202 7.220 1.00 0.00 H new ATOM 0 HD2 TYR A 124 4.051 -5.433 7.994 1.00 0.00 H new ATOM 0 HE1 TYR A 124 1.363 -1.336 8.701 1.00 0.00 H new ATOM 0 HE2 TYR A 124 4.899 -3.559 9.472 1.00 0.00 H new ATOM 0 HH TYR A 124 4.500 -1.616 10.299 1.00 0.00 H new ATOM 1906 N ILE A 125 -0.219 -8.638 6.695 1.00 0.00 N ATOM 1907 CA ILE A 125 -0.895 -9.569 5.808 1.00 0.00 C ATOM 1908 C ILE A 125 -2.362 -9.160 5.667 1.00 0.00 C ATOM 1909 O ILE A 125 -3.001 -8.780 6.647 1.00 0.00 O ATOM 1910 CB ILE A 125 -0.701 -11.007 6.293 1.00 0.00 C ATOM 1911 CG1 ILE A 125 0.785 -11.356 6.397 1.00 0.00 C ATOM 1912 CG2 ILE A 125 -1.460 -11.993 5.402 1.00 0.00 C ATOM 1913 CD1 ILE A 125 1.346 -11.779 5.037 1.00 0.00 C ATOM 0 H ILE A 125 -0.007 -9.009 7.621 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.457 -9.531 4.811 1.00 0.00 H new ATOM 0 HB ILE A 125 -1.121 -11.088 7.295 1.00 0.00 H new ATOM 0 HG12 ILE A 125 1.339 -10.495 6.771 1.00 0.00 H new ATOM 0 HG13 ILE A 125 0.923 -12.162 7.118 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -1.305 -13.008 5.768 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -2.524 -11.758 5.423 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -1.092 -11.917 4.379 1.00 0.00 H new ATOM 0 HD11 ILE A 125 2.404 -12.022 5.139 1.00 0.00 H new ATOM 0 HD12 ILE A 125 0.806 -12.655 4.677 1.00 0.00 H new ATOM 0 HD13 ILE A 125 1.228 -10.962 4.325 1.00 0.00 H new ATOM 1925 N HIS A 126 -2.854 -9.251 4.440 1.00 0.00 N ATOM 1926 CA HIS A 126 -4.234 -8.895 4.158 1.00 0.00 C ATOM 1927 C HIS A 126 -5.083 -10.164 4.069 1.00 0.00 C ATOM 1928 O HIS A 126 -5.007 -10.899 3.086 1.00 0.00 O ATOM 1929 CB HIS A 126 -4.326 -8.031 2.899 1.00 0.00 C ATOM 1930 CG HIS A 126 -5.613 -7.249 2.783 1.00 0.00 C ATOM 1931 ND1 HIS A 126 -5.709 -5.910 3.117 1.00 0.00 N ATOM 1932 CD2 HIS A 126 -6.854 -7.633 2.367 1.00 0.00 C ATOM 1933 CE1 HIS A 126 -6.957 -5.516 2.908 1.00 0.00 C ATOM 1934 NE2 HIS A 126 -7.665 -6.585 2.443 1.00 0.00 N ATOM 0 H HIS A 126 -2.321 -9.566 3.630 1.00 0.00 H new ATOM 0 HA HIS A 126 -4.631 -8.290 4.973 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -3.487 -7.335 2.887 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -4.222 -8.671 2.023 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -7.130 -8.622 2.032 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -7.345 -4.522 3.076 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -8.654 -6.580 2.195 1.00 0.00 H new ATOM 1942 N SER A 127 -5.874 -10.383 5.110 1.00 0.00 N ATOM 1943 CA SER A 127 -6.737 -11.551 5.162 1.00 0.00 C ATOM 1944 C SER A 127 -8.196 -11.117 5.313 1.00 0.00 C ATOM 1945 O SER A 127 -8.983 -11.235 4.375 1.00 0.00 O ATOM 1946 CB SER A 127 -6.338 -12.480 6.310 1.00 0.00 C ATOM 1947 OG SER A 127 -6.965 -13.756 6.206 1.00 0.00 O ATOM 0 H SER A 127 -5.935 -9.771 5.924 1.00 0.00 H new ATOM 0 HA SER A 127 -6.623 -12.102 4.228 1.00 0.00 H new ATOM 0 HB2 SER A 127 -5.255 -12.607 6.314 1.00 0.00 H new ATOM 0 HB3 SER A 127 -6.608 -12.019 7.260 1.00 0.00 H new ATOM 0 HG SER A 127 -6.684 -14.321 6.956 1.00 0.00 H new