USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 725 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 76 GLN : amide:sc= -1.31 K(o=-1,f=-3.4!) USER MOD Set 1.2: A 77 ASN :FLIP amide:sc= 0.261 F(o=-1.9,f=-1) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN :FLIP amide:sc=-0.00499 F(o=-0.53,f=-0.005) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0273 USER MOD Single : A 30 ASN : amide:sc= -0.0084 X(o=-0.0084,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.6 K(o=-0.6,f=-2.8!) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= -0.866 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 HIS :FLIP no HD1:sc= -11.1! C(o=-12!,f=-11!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 180:sc=-0.000333 USER MOD Single : A 67 SER OG : rot 23:sc= 1.09 USER MOD Single : A 68 LYS NZ :NH3+ 157:sc= -0.301 (180deg=-1.16) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.0739 K(o=-0.074,f=-1.9!) USER MOD Single : A 88 HIS : no HD1:sc= -0.526 K(o=-0.53,f=-1.3) USER MOD Single : A 89 ASN : amide:sc= -1.17 K(o=-1.2,f=-2.6!) USER MOD Single : A 91 THR OG1 : rot 44:sc= 0.236 USER MOD Single : A 92 CYS SG : rot 47:sc= 0.669 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 160:sc= -0.907 USER MOD Single : A 108 SER OG : rot -130:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 199 N ALA A 17 -14.235 7.118 10.090 1.00 0.00 N ATOM 200 CA ALA A 17 -13.138 6.459 9.391 1.00 0.00 C ATOM 201 C ALA A 17 -11.851 7.269 9.502 1.00 0.00 C ATOM 202 O ALA A 17 -11.862 8.457 9.825 1.00 0.00 O ATOM 203 CB ALA A 17 -13.500 6.239 7.929 1.00 0.00 C ATOM 0 HA ALA A 17 -12.969 5.491 9.862 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -12.672 5.746 7.419 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -14.390 5.613 7.865 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -13.698 7.200 7.455 1.00 0.00 H new ATOM 209 N PRO A 18 -10.713 6.613 9.231 1.00 0.00 N ATOM 210 CA PRO A 18 -9.396 7.252 9.294 1.00 0.00 C ATOM 211 C PRO A 18 -9.191 8.270 8.177 1.00 0.00 C ATOM 212 O PRO A 18 -8.683 7.936 7.106 1.00 0.00 O ATOM 213 CB PRO A 18 -8.424 6.080 9.135 1.00 0.00 C ATOM 214 CG PRO A 18 -9.197 5.046 8.393 1.00 0.00 C ATOM 215 CD PRO A 18 -10.625 5.195 8.840 1.00 0.00 C ATOM 0 HA PRO A 18 -9.260 7.814 10.218 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.531 6.378 8.585 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -8.092 5.707 10.104 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -9.108 5.191 7.316 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.822 4.046 8.612 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -11.324 4.955 8.039 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -10.856 4.533 9.674 1.00 0.00 H new ATOM 223 N SER A 19 -9.588 9.512 8.434 1.00 0.00 N ATOM 224 CA SER A 19 -9.451 10.578 7.448 1.00 0.00 C ATOM 225 C SER A 19 -8.025 11.121 7.431 1.00 0.00 C ATOM 226 O SER A 19 -7.811 12.332 7.364 1.00 0.00 O ATOM 227 CB SER A 19 -10.436 11.709 7.748 1.00 0.00 C ATOM 228 OG SER A 19 -10.840 12.362 6.557 1.00 0.00 O ATOM 0 H SER A 19 -10.007 9.805 9.317 1.00 0.00 H new ATOM 0 HA SER A 19 -9.675 10.162 6.466 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.310 11.308 8.261 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.973 12.429 8.423 1.00 0.00 H new ATOM 0 HG SER A 19 -11.471 13.080 6.775 1.00 0.00 H new ATOM 234 N VAL A 20 -7.053 10.217 7.492 1.00 0.00 N ATOM 235 CA VAL A 20 -5.647 10.604 7.482 1.00 0.00 C ATOM 236 C VAL A 20 -4.762 9.449 7.026 1.00 0.00 C ATOM 237 O VAL A 20 -5.060 8.284 7.291 1.00 0.00 O ATOM 238 CB VAL A 20 -5.184 11.072 8.874 1.00 0.00 C ATOM 239 CG1 VAL A 20 -5.976 12.293 9.318 1.00 0.00 C ATOM 240 CG2 VAL A 20 -5.316 9.945 9.887 1.00 0.00 C ATOM 0 H VAL A 20 -7.213 9.211 7.549 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.551 11.431 6.778 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.133 11.353 8.812 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.635 12.609 10.304 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.826 13.103 8.605 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.036 12.042 9.364 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.984 10.294 10.865 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.358 9.631 9.948 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.700 9.101 9.575 1.00 0.00 H new ATOM 250 N ALA A 21 -3.673 9.780 6.341 1.00 0.00 N ATOM 251 CA ALA A 21 -2.743 8.770 5.851 1.00 0.00 C ATOM 252 C ALA A 21 -1.454 8.769 6.666 1.00 0.00 C ATOM 253 O ALA A 21 -1.195 9.670 7.464 1.00 0.00 O ATOM 254 CB ALA A 21 -2.438 9.004 4.378 1.00 0.00 C ATOM 0 H ALA A 21 -3.413 10.739 6.113 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.214 7.793 5.963 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.742 8.243 4.025 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.361 8.947 3.802 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.992 9.990 4.251 1.00 0.00 H new ATOM 260 N PRO A 22 -0.625 7.734 6.463 1.00 0.00 N ATOM 261 CA PRO A 22 0.650 7.591 7.170 1.00 0.00 C ATOM 262 C PRO A 22 1.678 8.627 6.728 1.00 0.00 C ATOM 263 O PRO A 22 1.577 9.190 5.637 1.00 0.00 O ATOM 264 CB PRO A 22 1.112 6.183 6.788 1.00 0.00 C ATOM 265 CG PRO A 22 0.452 5.910 5.480 1.00 0.00 C ATOM 266 CD PRO A 22 -0.870 6.624 5.526 1.00 0.00 C ATOM 0 HA PRO A 22 0.539 7.741 8.244 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.197 6.132 6.702 1.00 0.00 H new ATOM 0 HB3 PRO A 22 0.817 5.452 7.541 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.062 6.271 4.652 1.00 0.00 H new ATOM 0 HG3 PRO A 22 0.312 4.840 5.329 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -1.165 6.987 4.542 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.668 5.970 5.877 1.00 0.00 H new ATOM 274 N LEU A 23 2.667 8.874 7.580 1.00 0.00 N ATOM 275 CA LEU A 23 3.715 9.843 7.276 1.00 0.00 C ATOM 276 C LEU A 23 5.030 9.140 6.958 1.00 0.00 C ATOM 277 O LEU A 23 5.103 7.912 6.948 1.00 0.00 O ATOM 278 CB LEU A 23 3.907 10.801 8.453 1.00 0.00 C ATOM 279 CG LEU A 23 2.674 11.054 9.321 1.00 0.00 C ATOM 280 CD1 LEU A 23 2.626 10.071 10.481 1.00 0.00 C ATOM 281 CD2 LEU A 23 2.667 12.487 9.833 1.00 0.00 C ATOM 0 H LEU A 23 2.765 8.417 8.487 1.00 0.00 H new ATOM 0 HA LEU A 23 3.407 10.412 6.399 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.700 10.408 9.089 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.255 11.758 8.064 1.00 0.00 H new ATOM 0 HG LEU A 23 1.785 10.904 8.708 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.742 10.267 11.087 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.582 9.053 10.094 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.520 10.188 11.094 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.782 12.649 10.449 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.562 12.665 10.429 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.652 13.175 8.988 1.00 0.00 H new ATOM 293 N ASN A 24 6.069 9.928 6.699 1.00 0.00 N ATOM 294 CA ASN A 24 7.383 9.381 6.382 1.00 0.00 C ATOM 295 C ASN A 24 7.269 8.237 5.380 1.00 0.00 C ATOM 296 O ASN A 24 7.962 7.226 5.494 1.00 0.00 O ATOM 297 CB ASN A 24 8.076 8.892 7.656 1.00 0.00 C ATOM 298 CG ASN A 24 8.871 9.988 8.339 1.00 0.00 C ATOM 299 OD1 ASN A 24 8.442 10.370 9.536 1.00 0.00 O flip ATOM 300 ND2 ASN A 24 9.858 10.484 7.797 1.00 0.00 N flip ATOM 0 H ASN A 24 6.026 10.947 6.703 1.00 0.00 H new ATOM 0 HA ASN A 24 7.981 10.174 5.933 1.00 0.00 H new ATOM 0 HB2 ASN A 24 7.328 8.505 8.348 1.00 0.00 H new ATOM 0 HB3 ASN A 24 8.741 8.064 7.410 1.00 0.00 H new ATOM 0 HD21 ASN A 24 10.151 10.159 6.876 1.00 0.00 H new ATOM 0 HD22 ASN A 24 10.383 11.220 8.269 1.00 0.00 H new ATOM 307 N VAL A 25 6.389 8.403 4.397 1.00 0.00 N ATOM 308 CA VAL A 25 6.185 7.386 3.374 1.00 0.00 C ATOM 309 C VAL A 25 7.300 7.419 2.335 1.00 0.00 C ATOM 310 O VAL A 25 7.404 8.360 1.547 1.00 0.00 O ATOM 311 CB VAL A 25 4.831 7.569 2.663 1.00 0.00 C ATOM 312 CG1 VAL A 25 4.675 6.554 1.540 1.00 0.00 C ATOM 313 CG2 VAL A 25 3.687 7.455 3.658 1.00 0.00 C ATOM 0 H VAL A 25 5.806 9.233 4.288 1.00 0.00 H new ATOM 0 HA VAL A 25 6.194 6.421 3.881 1.00 0.00 H new ATOM 0 HB VAL A 25 4.803 8.567 2.225 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.712 6.699 1.050 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.476 6.689 0.814 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.724 5.546 1.951 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.738 7.587 3.138 1.00 0.00 H new ATOM 0 HG22 VAL A 25 3.710 6.472 4.128 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.792 8.225 4.423 1.00 0.00 H new ATOM 323 N THR A 26 8.136 6.384 2.338 1.00 0.00 N ATOM 324 CA THR A 26 9.245 6.294 1.397 1.00 0.00 C ATOM 325 C THR A 26 9.229 4.963 0.654 1.00 0.00 C ATOM 326 O THR A 26 8.472 4.056 1.000 1.00 0.00 O ATOM 327 CB THR A 26 10.601 6.455 2.110 1.00 0.00 C ATOM 328 OG1 THR A 26 10.675 5.564 3.228 1.00 0.00 O ATOM 329 CG2 THR A 26 10.796 7.888 2.583 1.00 0.00 C ATOM 0 H THR A 26 8.065 5.597 2.982 1.00 0.00 H new ATOM 0 HA THR A 26 9.120 7.107 0.682 1.00 0.00 H new ATOM 0 HB THR A 26 11.392 6.212 1.400 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.541 5.671 3.675 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.760 7.978 3.084 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.768 8.561 1.726 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.000 8.153 3.279 1.00 0.00 H new ATOM 337 N VAL A 27 10.070 4.852 -0.369 1.00 0.00 N ATOM 338 CA VAL A 27 10.155 3.630 -1.160 1.00 0.00 C ATOM 339 C VAL A 27 11.603 3.286 -1.487 1.00 0.00 C ATOM 340 O VAL A 27 12.259 3.985 -2.259 1.00 0.00 O ATOM 341 CB VAL A 27 9.359 3.755 -2.473 1.00 0.00 C ATOM 342 CG1 VAL A 27 9.408 2.451 -3.254 1.00 0.00 C ATOM 343 CG2 VAL A 27 7.921 4.161 -2.187 1.00 0.00 C ATOM 0 H VAL A 27 10.702 5.594 -0.670 1.00 0.00 H new ATOM 0 HA VAL A 27 9.723 2.832 -0.556 1.00 0.00 H new ATOM 0 HB VAL A 27 9.818 4.533 -3.083 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.840 2.559 -4.178 1.00 0.00 H new ATOM 0 HG12 VAL A 27 10.444 2.207 -3.491 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.975 1.651 -2.654 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.373 4.245 -3.126 1.00 0.00 H new ATOM 0 HG22 VAL A 27 7.449 3.407 -1.557 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.910 5.122 -1.673 1.00 0.00 H new ATOM 353 N PHE A 28 12.097 2.203 -0.895 1.00 0.00 N ATOM 354 CA PHE A 28 13.469 1.766 -1.124 1.00 0.00 C ATOM 355 C PHE A 28 13.514 0.618 -2.128 1.00 0.00 C ATOM 356 O PHE A 28 12.842 -0.400 -1.956 1.00 0.00 O ATOM 357 CB PHE A 28 14.114 1.330 0.194 1.00 0.00 C ATOM 358 CG PHE A 28 14.516 2.480 1.073 1.00 0.00 C ATOM 359 CD1 PHE A 28 13.585 3.107 1.885 1.00 0.00 C ATOM 360 CD2 PHE A 28 15.825 2.934 1.087 1.00 0.00 C ATOM 361 CE1 PHE A 28 13.951 4.165 2.695 1.00 0.00 C ATOM 362 CE2 PHE A 28 16.197 3.991 1.895 1.00 0.00 C ATOM 363 CZ PHE A 28 15.259 4.608 2.700 1.00 0.00 C ATOM 0 H PHE A 28 11.568 1.612 -0.254 1.00 0.00 H new ATOM 0 HA PHE A 28 14.028 2.607 -1.535 1.00 0.00 H new ATOM 0 HB2 PHE A 28 13.416 0.694 0.738 1.00 0.00 H new ATOM 0 HB3 PHE A 28 14.994 0.725 -0.024 1.00 0.00 H new ATOM 0 HD1 PHE A 28 12.561 2.765 1.885 1.00 0.00 H new ATOM 0 HD2 PHE A 28 16.563 2.456 0.459 1.00 0.00 H new ATOM 0 HE1 PHE A 28 13.215 4.645 3.323 1.00 0.00 H new ATOM 0 HE2 PHE A 28 17.221 4.335 1.897 1.00 0.00 H new ATOM 0 HZ PHE A 28 15.548 5.435 3.332 1.00 0.00 H new ATOM 373 N LEU A 29 14.309 0.790 -3.178 1.00 0.00 N ATOM 374 CA LEU A 29 14.442 -0.231 -4.212 1.00 0.00 C ATOM 375 C LEU A 29 15.830 -0.864 -4.177 1.00 0.00 C ATOM 376 O LEU A 29 16.836 -0.188 -4.385 1.00 0.00 O ATOM 377 CB LEU A 29 14.181 0.376 -5.592 1.00 0.00 C ATOM 378 CG LEU A 29 14.709 -0.420 -6.786 1.00 0.00 C ATOM 379 CD1 LEU A 29 13.832 -1.634 -7.048 1.00 0.00 C ATOM 380 CD2 LEU A 29 14.785 0.463 -8.024 1.00 0.00 C ATOM 0 H LEU A 29 14.871 1.626 -3.336 1.00 0.00 H new ATOM 0 HA LEU A 29 13.703 -1.008 -4.018 1.00 0.00 H new ATOM 0 HB2 LEU A 29 13.105 0.504 -5.713 1.00 0.00 H new ATOM 0 HB3 LEU A 29 14.625 1.371 -5.619 1.00 0.00 H new ATOM 0 HG LEU A 29 15.715 -0.768 -6.550 1.00 0.00 H new ATOM 0 HD11 LEU A 29 14.223 -2.188 -7.901 1.00 0.00 H new ATOM 0 HD12 LEU A 29 13.829 -2.277 -6.168 1.00 0.00 H new ATOM 0 HD13 LEU A 29 12.814 -1.308 -7.263 1.00 0.00 H new ATOM 0 HD21 LEU A 29 15.163 -0.120 -8.864 1.00 0.00 H new ATOM 0 HD22 LEU A 29 13.791 0.841 -8.263 1.00 0.00 H new ATOM 0 HD23 LEU A 29 15.456 1.301 -7.833 1.00 0.00 H new ATOM 392 N ASN A 30 15.874 -2.166 -3.914 1.00 0.00 N ATOM 393 CA ASN A 30 17.138 -2.891 -3.854 1.00 0.00 C ATOM 394 C ASN A 30 17.580 -3.330 -5.246 1.00 0.00 C ATOM 395 O ASN A 30 16.864 -4.055 -5.935 1.00 0.00 O ATOM 396 CB ASN A 30 17.006 -4.111 -2.940 1.00 0.00 C ATOM 397 CG ASN A 30 17.163 -3.755 -1.474 1.00 0.00 C ATOM 398 OD1 ASN A 30 18.143 -4.135 -0.833 1.00 0.00 O ATOM 399 ND2 ASN A 30 16.196 -3.022 -0.936 1.00 0.00 N ATOM 0 H ASN A 30 15.049 -2.740 -3.739 1.00 0.00 H new ATOM 0 HA ASN A 30 17.895 -2.220 -3.447 1.00 0.00 H new ATOM 0 HB2 ASN A 30 16.032 -4.575 -3.096 1.00 0.00 H new ATOM 0 HB3 ASN A 30 17.759 -4.850 -3.214 1.00 0.00 H new ATOM 0 HD21 ASN A 30 16.247 -2.752 0.046 1.00 0.00 H new ATOM 0 HD22 ASN A 30 15.402 -2.729 -1.505 1.00 0.00 H new ATOM 406 N GLU A 31 18.765 -2.886 -5.652 1.00 0.00 N ATOM 407 CA GLU A 31 19.303 -3.233 -6.962 1.00 0.00 C ATOM 408 C GLU A 31 19.843 -4.661 -6.968 1.00 0.00 C ATOM 409 O GLU A 31 19.619 -5.417 -7.913 1.00 0.00 O ATOM 410 CB GLU A 31 20.411 -2.256 -7.359 1.00 0.00 C ATOM 411 CG GLU A 31 19.893 -0.912 -7.843 1.00 0.00 C ATOM 412 CD GLU A 31 20.897 -0.178 -8.711 1.00 0.00 C ATOM 413 OE1 GLU A 31 21.943 0.247 -8.179 1.00 0.00 O ATOM 414 OE2 GLU A 31 20.635 -0.029 -9.923 1.00 0.00 O ATOM 0 H GLU A 31 19.371 -2.285 -5.093 1.00 0.00 H new ATOM 0 HA GLU A 31 18.493 -3.166 -7.688 1.00 0.00 H new ATOM 0 HB2 GLU A 31 21.067 -2.096 -6.503 1.00 0.00 H new ATOM 0 HB3 GLU A 31 21.017 -2.707 -8.145 1.00 0.00 H new ATOM 0 HG2 GLU A 31 18.973 -1.063 -8.407 1.00 0.00 H new ATOM 0 HG3 GLU A 31 19.641 -0.293 -6.982 1.00 0.00 H new ATOM 421 N SER A 32 20.555 -5.022 -5.905 1.00 0.00 N ATOM 422 CA SER A 32 21.131 -6.356 -5.789 1.00 0.00 C ATOM 423 C SER A 32 20.037 -7.419 -5.753 1.00 0.00 C ATOM 424 O SER A 32 20.236 -8.546 -6.205 1.00 0.00 O ATOM 425 CB SER A 32 21.995 -6.454 -4.530 1.00 0.00 C ATOM 426 OG SER A 32 22.845 -7.586 -4.581 1.00 0.00 O ATOM 0 H SER A 32 20.746 -4.409 -5.112 1.00 0.00 H new ATOM 0 HA SER A 32 21.756 -6.532 -6.664 1.00 0.00 H new ATOM 0 HB2 SER A 32 22.595 -5.550 -4.426 1.00 0.00 H new ATOM 0 HB3 SER A 32 21.355 -6.516 -3.650 1.00 0.00 H new ATOM 0 HG SER A 32 23.387 -7.625 -3.766 1.00 0.00 H new ATOM 432 N SER A 33 18.880 -7.050 -5.212 1.00 0.00 N ATOM 433 CA SER A 33 17.755 -7.972 -5.112 1.00 0.00 C ATOM 434 C SER A 33 16.587 -7.497 -5.971 1.00 0.00 C ATOM 435 O SER A 33 16.627 -6.410 -6.547 1.00 0.00 O ATOM 436 CB SER A 33 17.308 -8.110 -3.655 1.00 0.00 C ATOM 437 OG SER A 33 18.361 -8.600 -2.844 1.00 0.00 O ATOM 0 H SER A 33 18.697 -6.119 -4.836 1.00 0.00 H new ATOM 0 HA SER A 33 18.081 -8.946 -5.478 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.976 -7.142 -3.280 1.00 0.00 H new ATOM 0 HB3 SER A 33 16.454 -8.785 -3.595 1.00 0.00 H new ATOM 0 HG SER A 33 18.051 -8.678 -1.917 1.00 0.00 H new ATOM 443 N ASP A 34 15.547 -8.321 -6.053 1.00 0.00 N ATOM 444 CA ASP A 34 14.367 -7.986 -6.840 1.00 0.00 C ATOM 445 C ASP A 34 13.162 -7.741 -5.936 1.00 0.00 C ATOM 446 O ASP A 34 12.078 -8.270 -6.174 1.00 0.00 O ATOM 447 CB ASP A 34 14.055 -9.107 -7.833 1.00 0.00 C ATOM 448 CG ASP A 34 13.918 -10.457 -7.157 1.00 0.00 C ATOM 449 OD1 ASP A 34 13.132 -10.561 -6.192 1.00 0.00 O ATOM 450 OD2 ASP A 34 14.596 -11.410 -7.594 1.00 0.00 O ATOM 0 H ASP A 34 15.498 -9.225 -5.584 1.00 0.00 H new ATOM 0 HA ASP A 34 14.577 -7.070 -7.392 1.00 0.00 H new ATOM 0 HB2 ASP A 34 13.131 -8.873 -8.362 1.00 0.00 H new ATOM 0 HB3 ASP A 34 14.846 -9.157 -8.581 1.00 0.00 H new ATOM 455 N ASN A 35 13.362 -6.936 -4.898 1.00 0.00 N ATOM 456 CA ASN A 35 12.293 -6.622 -3.957 1.00 0.00 C ATOM 457 C ASN A 35 12.254 -5.127 -3.657 1.00 0.00 C ATOM 458 O ASN A 35 13.250 -4.423 -3.823 1.00 0.00 O ATOM 459 CB ASN A 35 12.480 -7.410 -2.659 1.00 0.00 C ATOM 460 CG ASN A 35 13.765 -7.044 -1.941 1.00 0.00 C ATOM 461 OD1 ASN A 35 13.967 -5.893 -1.554 1.00 0.00 O ATOM 462 ND2 ASN A 35 14.641 -8.025 -1.760 1.00 0.00 N ATOM 0 H ASN A 35 14.254 -6.489 -4.687 1.00 0.00 H new ATOM 0 HA ASN A 35 11.345 -6.907 -4.414 1.00 0.00 H new ATOM 0 HB2 ASN A 35 11.633 -7.224 -1.999 1.00 0.00 H new ATOM 0 HB3 ASN A 35 12.483 -8.477 -2.882 1.00 0.00 H new ATOM 0 HD21 ASN A 35 15.523 -7.839 -1.283 1.00 0.00 H new ATOM 0 HD22 ASN A 35 14.432 -8.964 -2.098 1.00 0.00 H new ATOM 469 N VAL A 36 11.097 -4.647 -3.212 1.00 0.00 N ATOM 470 CA VAL A 36 10.928 -3.236 -2.886 1.00 0.00 C ATOM 471 C VAL A 36 10.539 -3.053 -1.423 1.00 0.00 C ATOM 472 O VAL A 36 9.533 -3.594 -0.965 1.00 0.00 O ATOM 473 CB VAL A 36 9.857 -2.579 -3.777 1.00 0.00 C ATOM 474 CG1 VAL A 36 9.763 -1.089 -3.488 1.00 0.00 C ATOM 475 CG2 VAL A 36 10.160 -2.828 -5.246 1.00 0.00 C ATOM 0 H VAL A 36 10.262 -5.215 -3.069 1.00 0.00 H new ATOM 0 HA VAL A 36 11.888 -2.752 -3.067 1.00 0.00 H new ATOM 0 HB VAL A 36 8.892 -3.030 -3.548 1.00 0.00 H new ATOM 0 HG11 VAL A 36 9.001 -0.642 -4.127 1.00 0.00 H new ATOM 0 HG12 VAL A 36 9.494 -0.937 -2.443 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.726 -0.618 -3.687 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.393 -2.357 -5.861 1.00 0.00 H new ATOM 0 HG22 VAL A 36 11.134 -2.405 -5.493 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.171 -3.901 -5.439 1.00 0.00 H new ATOM 485 N ASP A 37 11.344 -2.286 -0.696 1.00 0.00 N ATOM 486 CA ASP A 37 11.084 -2.029 0.716 1.00 0.00 C ATOM 487 C ASP A 37 10.261 -0.756 0.894 1.00 0.00 C ATOM 488 O ASP A 37 10.440 0.217 0.162 1.00 0.00 O ATOM 489 CB ASP A 37 12.400 -1.912 1.486 1.00 0.00 C ATOM 490 CG ASP A 37 12.914 -3.257 1.961 1.00 0.00 C ATOM 491 OD1 ASP A 37 12.191 -3.932 2.723 1.00 0.00 O ATOM 492 OD2 ASP A 37 14.039 -3.634 1.571 1.00 0.00 O ATOM 0 H ASP A 37 12.181 -1.832 -1.061 1.00 0.00 H new ATOM 0 HA ASP A 37 10.513 -2.868 1.114 1.00 0.00 H new ATOM 0 HB2 ASP A 37 13.150 -1.444 0.849 1.00 0.00 H new ATOM 0 HB3 ASP A 37 12.258 -1.256 2.345 1.00 0.00 H new ATOM 497 N ILE A 38 9.360 -0.772 1.870 1.00 0.00 N ATOM 498 CA ILE A 38 8.511 0.380 2.144 1.00 0.00 C ATOM 499 C ILE A 38 8.532 0.740 3.626 1.00 0.00 C ATOM 500 O ILE A 38 8.390 -0.128 4.488 1.00 0.00 O ATOM 501 CB ILE A 38 7.055 0.123 1.711 1.00 0.00 C ATOM 502 CG1 ILE A 38 7.015 -0.426 0.283 1.00 0.00 C ATOM 503 CG2 ILE A 38 6.237 1.401 1.817 1.00 0.00 C ATOM 504 CD1 ILE A 38 7.092 -1.935 0.213 1.00 0.00 C ATOM 0 H ILE A 38 9.199 -1.570 2.484 1.00 0.00 H new ATOM 0 HA ILE A 38 8.913 1.211 1.565 1.00 0.00 H new ATOM 0 HB ILE A 38 6.618 -0.620 2.378 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.095 -0.095 -0.199 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.843 -0.001 -0.284 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.211 1.203 1.508 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.244 1.753 2.849 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.670 2.165 1.171 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.058 -2.253 -0.829 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.024 -2.273 0.666 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.249 -2.368 0.752 1.00 0.00 H new ATOM 516 N ARG A 39 8.709 2.025 3.915 1.00 0.00 N ATOM 517 CA ARG A 39 8.749 2.499 5.293 1.00 0.00 C ATOM 518 C ARG A 39 7.751 3.634 5.506 1.00 0.00 C ATOM 519 O ARG A 39 7.683 4.571 4.711 1.00 0.00 O ATOM 520 CB ARG A 39 10.159 2.972 5.652 1.00 0.00 C ATOM 521 CG ARG A 39 10.325 3.331 7.119 1.00 0.00 C ATOM 522 CD ARG A 39 10.291 2.094 8.003 1.00 0.00 C ATOM 523 NE ARG A 39 10.899 2.336 9.308 1.00 0.00 N ATOM 524 CZ ARG A 39 10.262 2.913 10.321 1.00 0.00 C ATOM 525 NH1 ARG A 39 9.003 3.304 10.179 1.00 0.00 N ATOM 526 NH2 ARG A 39 10.883 3.099 11.478 1.00 0.00 N ATOM 0 H ARG A 39 8.827 2.756 3.214 1.00 0.00 H new ATOM 0 HA ARG A 39 8.475 1.669 5.944 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.872 2.189 5.395 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.408 3.841 5.043 1.00 0.00 H new ATOM 0 HG2 ARG A 39 11.270 3.855 7.262 1.00 0.00 H new ATOM 0 HG3 ARG A 39 9.532 4.016 7.419 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.258 1.774 8.138 1.00 0.00 H new ATOM 0 HD3 ARG A 39 10.815 1.278 7.505 1.00 0.00 H new ATOM 0 HE ARG A 39 11.867 2.046 9.450 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.522 3.162 9.291 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.516 3.747 10.958 1.00 0.00 H new ATOM 0 HH21 ARG A 39 11.851 2.799 11.591 1.00 0.00 H new ATOM 0 HH22 ARG A 39 10.392 3.542 12.255 1.00 0.00 H new ATOM 540 N TRP A 40 6.979 3.541 6.583 1.00 0.00 N ATOM 541 CA TRP A 40 5.984 4.559 6.900 1.00 0.00 C ATOM 542 C TRP A 40 5.897 4.786 8.405 1.00 0.00 C ATOM 543 O TRP A 40 6.561 4.102 9.184 1.00 0.00 O ATOM 544 CB TRP A 40 4.614 4.151 6.353 1.00 0.00 C ATOM 545 CG TRP A 40 4.074 2.901 6.978 1.00 0.00 C ATOM 546 CD1 TRP A 40 3.323 2.811 8.115 1.00 0.00 C ATOM 547 CD2 TRP A 40 4.245 1.562 6.501 1.00 0.00 C ATOM 548 NE1 TRP A 40 3.017 1.497 8.374 1.00 0.00 N ATOM 549 CE2 TRP A 40 3.570 0.711 7.398 1.00 0.00 C ATOM 550 CE3 TRP A 40 4.901 0.999 5.403 1.00 0.00 C ATOM 551 CZ2 TRP A 40 3.535 -0.671 7.229 1.00 0.00 C ATOM 552 CZ3 TRP A 40 4.865 -0.372 5.237 1.00 0.00 C ATOM 553 CH2 TRP A 40 4.186 -1.195 6.145 1.00 0.00 C ATOM 0 H TRP A 40 7.023 2.771 7.251 1.00 0.00 H new ATOM 0 HA TRP A 40 6.293 5.492 6.428 1.00 0.00 H new ATOM 0 HB2 TRP A 40 3.908 4.965 6.517 1.00 0.00 H new ATOM 0 HB3 TRP A 40 4.689 4.007 5.275 1.00 0.00 H new ATOM 0 HD1 TRP A 40 3.015 3.650 8.722 1.00 0.00 H new ATOM 0 HE1 TRP A 40 2.467 1.161 9.165 1.00 0.00 H new ATOM 0 HE3 TRP A 40 5.427 1.625 4.697 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 3.013 -1.307 7.929 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.369 -0.817 4.392 1.00 0.00 H new ATOM 0 HH2 TRP A 40 4.176 -2.263 5.987 1.00 0.00 H new ATOM 564 N MET A 41 5.076 5.750 8.808 1.00 0.00 N ATOM 565 CA MET A 41 4.902 6.065 10.221 1.00 0.00 C ATOM 566 C MET A 41 3.423 6.122 10.588 1.00 0.00 C ATOM 567 O MET A 41 2.559 6.213 9.715 1.00 0.00 O ATOM 568 CB MET A 41 5.574 7.398 10.555 1.00 0.00 C ATOM 569 CG MET A 41 7.033 7.258 10.961 1.00 0.00 C ATOM 570 SD MET A 41 7.235 6.935 12.723 1.00 0.00 S ATOM 571 CE MET A 41 7.770 8.543 13.303 1.00 0.00 C ATOM 0 H MET A 41 4.521 6.327 8.176 1.00 0.00 H new ATOM 0 HA MET A 41 5.372 5.273 10.804 1.00 0.00 H new ATOM 0 HB2 MET A 41 5.508 8.056 9.689 1.00 0.00 H new ATOM 0 HB3 MET A 41 5.025 7.880 11.364 1.00 0.00 H new ATOM 0 HG2 MET A 41 7.488 6.447 10.392 1.00 0.00 H new ATOM 0 HG3 MET A 41 7.568 8.171 10.699 1.00 0.00 H new ATOM 0 HE1 MET A 41 7.937 8.505 14.379 1.00 0.00 H new ATOM 0 HE2 MET A 41 8.697 8.821 12.802 1.00 0.00 H new ATOM 0 HE3 MET A 41 7.002 9.284 13.081 1.00 0.00 H new ATOM 581 N LYS A 42 3.137 6.068 11.884 1.00 0.00 N ATOM 582 CA LYS A 42 1.762 6.115 12.367 1.00 0.00 C ATOM 583 C LYS A 42 1.224 7.542 12.340 1.00 0.00 C ATOM 584 O LYS A 42 1.920 8.500 12.676 1.00 0.00 O ATOM 585 CB LYS A 42 1.680 5.555 13.789 1.00 0.00 C ATOM 586 CG LYS A 42 0.257 5.367 14.288 1.00 0.00 C ATOM 587 CD LYS A 42 0.223 5.076 15.779 1.00 0.00 C ATOM 588 CE LYS A 42 -1.014 4.279 16.163 1.00 0.00 C ATOM 589 NZ LYS A 42 -1.401 4.506 17.583 1.00 0.00 N ATOM 0 H LYS A 42 3.840 5.992 12.619 1.00 0.00 H new ATOM 0 HA LYS A 42 1.150 5.502 11.705 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.198 4.596 13.823 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.208 6.227 14.466 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.325 6.265 14.078 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.215 4.548 13.746 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.117 4.521 16.063 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.240 6.014 16.334 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.842 4.558 15.512 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.826 3.217 16.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.248 3.945 17.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.620 4.216 18.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -1.605 5.515 17.730 1.00 0.00 H new ATOM 603 N PRO A 43 -0.046 7.689 11.933 1.00 0.00 N ATOM 604 CA PRO A 43 -0.706 8.996 11.854 1.00 0.00 C ATOM 605 C PRO A 43 -0.975 9.592 13.232 1.00 0.00 C ATOM 606 O PRO A 43 -0.849 8.926 14.259 1.00 0.00 O ATOM 607 CB PRO A 43 -2.023 8.686 11.139 1.00 0.00 C ATOM 608 CG PRO A 43 -2.284 7.249 11.433 1.00 0.00 C ATOM 609 CD PRO A 43 -0.935 6.591 11.518 1.00 0.00 C ATOM 0 HA PRO A 43 -0.090 9.734 11.340 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -2.831 9.318 11.506 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -1.942 8.862 10.066 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -2.833 7.136 12.368 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -2.891 6.795 10.650 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -0.931 5.775 12.241 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -0.632 6.169 10.560 1.00 0.00 H new ATOM 617 N PRO A 44 -1.356 10.878 13.256 1.00 0.00 N ATOM 618 CA PRO A 44 -1.653 11.593 14.501 1.00 0.00 C ATOM 619 C PRO A 44 -2.935 11.098 15.162 1.00 0.00 C ATOM 620 O PRO A 44 -3.380 11.650 16.169 1.00 0.00 O ATOM 621 CB PRO A 44 -1.810 13.046 14.048 1.00 0.00 C ATOM 622 CG PRO A 44 -2.214 12.954 12.617 1.00 0.00 C ATOM 623 CD PRO A 44 -1.527 11.734 12.070 1.00 0.00 C ATOM 0 HA PRO A 44 -0.874 11.449 15.250 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -2.563 13.566 14.640 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -0.878 13.599 14.162 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.296 12.868 12.522 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -1.916 13.848 12.069 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -2.128 11.244 11.304 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -0.569 11.983 11.613 1.00 0.00 H new ATOM 735 N LEU A 52 -5.922 1.942 15.242 1.00 0.00 N ATOM 736 CA LEU A 52 -5.362 1.409 14.005 1.00 0.00 C ATOM 737 C LEU A 52 -5.070 -0.083 14.138 1.00 0.00 C ATOM 738 O LEU A 52 -4.425 -0.517 15.093 1.00 0.00 O ATOM 739 CB LEU A 52 -4.081 2.160 13.636 1.00 0.00 C ATOM 740 CG LEU A 52 -3.158 1.462 12.637 1.00 0.00 C ATOM 741 CD1 LEU A 52 -2.395 2.485 11.810 1.00 0.00 C ATOM 742 CD2 LEU A 52 -2.194 0.533 13.361 1.00 0.00 C ATOM 0 HA LEU A 52 -6.098 1.548 13.213 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.358 3.131 13.227 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.518 2.348 14.550 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.770 0.864 11.962 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.743 1.970 11.105 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.101 3.109 11.262 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.793 3.110 12.470 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.545 0.045 12.634 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.588 1.110 14.059 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.758 -0.222 13.908 1.00 0.00 H new ATOM 754 N VAL A 53 -5.546 -0.862 13.173 1.00 0.00 N ATOM 755 CA VAL A 53 -5.334 -2.305 13.181 1.00 0.00 C ATOM 756 C VAL A 53 -4.381 -2.725 12.067 1.00 0.00 C ATOM 757 O VAL A 53 -3.861 -3.840 12.070 1.00 0.00 O ATOM 758 CB VAL A 53 -6.662 -3.069 13.020 1.00 0.00 C ATOM 759 CG1 VAL A 53 -7.545 -2.867 14.242 1.00 0.00 C ATOM 760 CG2 VAL A 53 -7.380 -2.628 11.754 1.00 0.00 C ATOM 0 H VAL A 53 -6.081 -0.519 12.375 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.895 -2.555 14.147 1.00 0.00 H new ATOM 0 HB VAL A 53 -6.441 -4.133 12.933 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -8.479 -3.414 14.111 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.030 -3.237 15.128 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -7.760 -1.805 14.364 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -8.316 -3.178 11.656 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -7.591 -1.560 11.808 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.749 -2.830 10.889 1.00 0.00 H new ATOM 770 N GLY A 54 -4.155 -1.824 11.116 1.00 0.00 N ATOM 771 CA GLY A 54 -3.264 -2.120 10.010 1.00 0.00 C ATOM 772 C GLY A 54 -3.228 -1.008 8.981 1.00 0.00 C ATOM 773 O GLY A 54 -3.734 0.088 9.223 1.00 0.00 O ATOM 0 H GLY A 54 -4.573 -0.894 11.092 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.258 -2.289 10.393 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.581 -3.045 9.529 1.00 0.00 H new ATOM 777 N TYR A 55 -2.628 -1.288 7.830 1.00 0.00 N ATOM 778 CA TYR A 55 -2.524 -0.301 6.761 1.00 0.00 C ATOM 779 C TYR A 55 -2.981 -0.889 5.430 1.00 0.00 C ATOM 780 O TYR A 55 -3.269 -2.082 5.332 1.00 0.00 O ATOM 781 CB TYR A 55 -1.084 0.202 6.642 1.00 0.00 C ATOM 782 CG TYR A 55 -0.646 1.066 7.803 1.00 0.00 C ATOM 783 CD1 TYR A 55 -0.864 2.438 7.795 1.00 0.00 C ATOM 784 CD2 TYR A 55 -0.016 0.509 8.909 1.00 0.00 C ATOM 785 CE1 TYR A 55 -0.465 3.231 8.853 1.00 0.00 C ATOM 786 CE2 TYR A 55 0.385 1.294 9.973 1.00 0.00 C ATOM 787 CZ TYR A 55 0.159 2.654 9.940 1.00 0.00 C ATOM 788 OH TYR A 55 0.557 3.440 10.997 1.00 0.00 O ATOM 0 H TYR A 55 -2.206 -2.191 7.613 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.175 0.537 7.010 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.414 -0.654 6.565 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -0.982 0.771 5.718 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -1.354 2.892 6.947 1.00 0.00 H new ATOM 0 HD2 TYR A 55 0.163 -0.556 8.938 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.640 4.296 8.830 1.00 0.00 H new ATOM 0 HE2 TYR A 55 0.873 0.845 10.826 1.00 0.00 H new ATOM 0 HH TYR A 55 0.979 2.879 11.681 1.00 0.00 H new ATOM 798 N ARG A 56 -3.044 -0.043 4.407 1.00 0.00 N ATOM 799 CA ARG A 56 -3.467 -0.477 3.081 1.00 0.00 C ATOM 800 C ARG A 56 -2.466 -0.030 2.019 1.00 0.00 C ATOM 801 O ARG A 56 -2.424 1.142 1.646 1.00 0.00 O ATOM 802 CB ARG A 56 -4.854 0.080 2.757 1.00 0.00 C ATOM 803 CG ARG A 56 -5.992 -0.836 3.176 1.00 0.00 C ATOM 804 CD ARG A 56 -6.394 -1.776 2.050 1.00 0.00 C ATOM 805 NE ARG A 56 -7.258 -1.121 1.073 1.00 0.00 N ATOM 806 CZ ARG A 56 -7.658 -1.695 -0.056 1.00 0.00 C ATOM 807 NH1 ARG A 56 -7.274 -2.930 -0.348 1.00 0.00 N ATOM 808 NH2 ARG A 56 -8.445 -1.034 -0.896 1.00 0.00 N ATOM 0 H ARG A 56 -2.807 0.947 4.471 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.512 -1.566 3.079 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.974 1.044 3.252 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.922 0.262 1.684 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.690 -1.418 4.047 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.852 -0.236 3.475 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.499 -2.147 1.551 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.909 -2.642 2.467 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.572 -0.170 1.268 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.670 -3.442 0.295 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -7.583 -3.368 -1.216 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.743 -0.084 -0.675 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -8.751 -1.476 -1.763 1.00 0.00 H new ATOM 822 N ILE A 57 -1.664 -0.973 1.537 1.00 0.00 N ATOM 823 CA ILE A 57 -0.665 -0.677 0.517 1.00 0.00 C ATOM 824 C ILE A 57 -1.149 -1.098 -0.866 1.00 0.00 C ATOM 825 O ILE A 57 -1.549 -2.244 -1.072 1.00 0.00 O ATOM 826 CB ILE A 57 0.672 -1.381 0.818 1.00 0.00 C ATOM 827 CG1 ILE A 57 1.053 -1.193 2.288 1.00 0.00 C ATOM 828 CG2 ILE A 57 1.768 -0.846 -0.092 1.00 0.00 C ATOM 829 CD1 ILE A 57 2.200 -2.074 2.732 1.00 0.00 C ATOM 0 H ILE A 57 -1.686 -1.948 1.836 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.510 0.402 0.531 1.00 0.00 H new ATOM 0 HB ILE A 57 0.556 -2.448 0.626 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.321 -0.150 2.455 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.183 -1.402 2.910 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.707 -1.353 0.132 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.498 -1.027 -1.132 1.00 0.00 H new ATOM 0 HG23 ILE A 57 1.886 0.225 0.071 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.416 -1.888 3.784 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.928 -3.121 2.597 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.084 -1.849 2.135 1.00 0.00 H new ATOM 841 N SER A 58 -1.108 -0.164 -1.811 1.00 0.00 N ATOM 842 CA SER A 58 -1.544 -0.438 -3.175 1.00 0.00 C ATOM 843 C SER A 58 -0.406 -0.213 -4.165 1.00 0.00 C ATOM 844 O SER A 58 -0.082 0.924 -4.510 1.00 0.00 O ATOM 845 CB SER A 58 -2.735 0.450 -3.540 1.00 0.00 C ATOM 846 OG SER A 58 -2.974 0.435 -4.937 1.00 0.00 O ATOM 0 H SER A 58 -0.777 0.789 -1.657 1.00 0.00 H new ATOM 0 HA SER A 58 -1.848 -1.483 -3.230 1.00 0.00 H new ATOM 0 HB2 SER A 58 -3.624 0.106 -3.012 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.545 1.472 -3.211 1.00 0.00 H new ATOM 0 HG SER A 58 -3.741 1.009 -5.144 1.00 0.00 H new ATOM 852 N HIS A 59 0.200 -1.306 -4.620 1.00 0.00 N ATOM 853 CA HIS A 59 1.303 -1.229 -5.571 1.00 0.00 C ATOM 854 C HIS A 59 0.879 -1.760 -6.938 1.00 0.00 C ATOM 855 O HIS A 59 0.667 -2.960 -7.111 1.00 0.00 O ATOM 856 CB HIS A 59 2.505 -2.019 -5.055 1.00 0.00 C ATOM 857 CG HIS A 59 2.228 -3.479 -4.868 1.00 0.00 C ATOM 858 ND1 HIS A 59 1.389 -4.119 -4.021 1.00 0.00 N flip ATOM 859 CD2 HIS A 59 2.851 -4.464 -5.605 1.00 0.00 C flip ATOM 860 CE1 HIS A 59 1.518 -5.465 -4.259 1.00 0.00 C flip ATOM 861 NE2 HIS A 59 2.406 -5.647 -5.220 1.00 0.00 N flip ATOM 0 H HIS A 59 -0.054 -2.255 -4.345 1.00 0.00 H new ATOM 0 HA HIS A 59 1.585 -0.182 -5.679 1.00 0.00 H new ATOM 0 HB2 HIS A 59 3.333 -1.902 -5.754 1.00 0.00 H new ATOM 0 HB3 HIS A 59 2.827 -1.594 -4.104 1.00 0.00 H new ATOM 0 HD2 HIS A 59 3.588 -4.295 -6.376 1.00 0.00 H new ATOM 0 HE1 HIS A 59 0.981 -6.248 -3.744 1.00 0.00 H new ATOM 0 HE2 HIS A 59 2.698 -6.547 -5.600 1.00 0.00 H new ATOM 870 N VAL A 60 0.758 -0.857 -7.906 1.00 0.00 N ATOM 871 CA VAL A 60 0.360 -1.234 -9.257 1.00 0.00 C ATOM 872 C VAL A 60 1.521 -1.085 -10.233 1.00 0.00 C ATOM 873 O VAL A 60 2.428 -0.282 -10.017 1.00 0.00 O ATOM 874 CB VAL A 60 -0.824 -0.383 -9.752 1.00 0.00 C ATOM 875 CG1 VAL A 60 -0.986 -0.517 -11.258 1.00 0.00 C ATOM 876 CG2 VAL A 60 -2.104 -0.782 -9.032 1.00 0.00 C ATOM 0 H VAL A 60 0.930 0.140 -7.780 1.00 0.00 H new ATOM 0 HA VAL A 60 0.054 -2.279 -9.216 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.617 0.663 -9.525 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.828 0.091 -11.589 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.076 -0.178 -11.753 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.171 -1.561 -11.513 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.931 -0.171 -9.394 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.318 -1.833 -9.226 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.981 -0.628 -7.960 1.00 0.00 H new ATOM 886 N TRP A 61 1.487 -1.865 -11.308 1.00 0.00 N ATOM 887 CA TRP A 61 2.537 -1.820 -12.319 1.00 0.00 C ATOM 888 C TRP A 61 1.956 -1.507 -13.694 1.00 0.00 C ATOM 889 O TRP A 61 1.003 -2.149 -14.134 1.00 0.00 O ATOM 890 CB TRP A 61 3.291 -3.150 -12.360 1.00 0.00 C ATOM 891 CG TRP A 61 3.732 -3.625 -11.009 1.00 0.00 C ATOM 892 CD1 TRP A 61 2.933 -4.081 -10.000 1.00 0.00 C ATOM 893 CD2 TRP A 61 5.076 -3.689 -10.520 1.00 0.00 C ATOM 894 NE1 TRP A 61 3.700 -4.424 -8.912 1.00 0.00 N ATOM 895 CE2 TRP A 61 5.018 -4.194 -9.206 1.00 0.00 C ATOM 896 CE3 TRP A 61 6.323 -3.370 -11.064 1.00 0.00 C ATOM 897 CZ2 TRP A 61 6.159 -4.385 -8.431 1.00 0.00 C ATOM 898 CZ3 TRP A 61 7.455 -3.561 -10.294 1.00 0.00 C ATOM 899 CH2 TRP A 61 7.366 -4.065 -8.989 1.00 0.00 C ATOM 0 H TRP A 61 0.744 -2.536 -11.502 1.00 0.00 H new ATOM 0 HA TRP A 61 3.232 -1.025 -12.050 1.00 0.00 H new ATOM 0 HB2 TRP A 61 2.652 -3.908 -12.813 1.00 0.00 H new ATOM 0 HB3 TRP A 61 4.165 -3.044 -13.003 1.00 0.00 H new ATOM 0 HD1 TRP A 61 1.857 -4.160 -10.049 1.00 0.00 H new ATOM 0 HE1 TRP A 61 3.345 -4.790 -8.029 1.00 0.00 H new ATOM 0 HE3 TRP A 61 6.401 -2.981 -12.068 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 6.093 -4.772 -7.425 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 8.424 -3.318 -10.705 1.00 0.00 H new ATOM 0 HH2 TRP A 61 8.269 -4.203 -8.413 1.00 0.00 H new ATOM 910 N GLN A 62 2.537 -0.519 -14.366 1.00 0.00 N ATOM 911 CA GLN A 62 2.075 -0.122 -15.691 1.00 0.00 C ATOM 912 C GLN A 62 3.230 -0.101 -16.686 1.00 0.00 C ATOM 913 O GLN A 62 4.068 0.800 -16.661 1.00 0.00 O ATOM 914 CB GLN A 62 1.412 1.255 -15.632 1.00 0.00 C ATOM 915 CG GLN A 62 -0.075 1.202 -15.317 1.00 0.00 C ATOM 916 CD GLN A 62 -0.786 2.502 -15.637 1.00 0.00 C ATOM 917 OE1 GLN A 62 -0.455 3.555 -15.091 1.00 0.00 O ATOM 918 NE2 GLN A 62 -1.770 2.435 -16.526 1.00 0.00 N ATOM 0 H GLN A 62 3.328 0.021 -14.015 1.00 0.00 H new ATOM 0 HA GLN A 62 1.343 -0.856 -16.028 1.00 0.00 H new ATOM 0 HB2 GLN A 62 1.914 1.858 -14.876 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.555 1.759 -16.588 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.534 0.392 -15.884 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.211 0.968 -14.261 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.011 1.541 -16.954 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -2.285 3.278 -16.781 1.00 0.00 H new ATOM 927 N SER A 63 3.268 -1.100 -17.562 1.00 0.00 N ATOM 928 CA SER A 63 4.323 -1.199 -18.564 1.00 0.00 C ATOM 929 C SER A 63 3.740 -1.151 -19.973 1.00 0.00 C ATOM 930 O SER A 63 2.614 -1.588 -20.206 1.00 0.00 O ATOM 931 CB SER A 63 5.118 -2.492 -18.373 1.00 0.00 C ATOM 932 OG SER A 63 5.922 -2.769 -19.506 1.00 0.00 O ATOM 0 H SER A 63 2.580 -1.852 -17.598 1.00 0.00 H new ATOM 0 HA SER A 63 4.992 -0.348 -18.437 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.748 -2.407 -17.488 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.433 -3.321 -18.198 1.00 0.00 H new ATOM 0 HG SER A 63 6.421 -3.599 -19.358 1.00 0.00 H new ATOM 938 N ALA A 64 4.517 -0.616 -20.910 1.00 0.00 N ATOM 939 CA ALA A 64 4.080 -0.512 -22.297 1.00 0.00 C ATOM 940 C ALA A 64 3.681 -1.875 -22.850 1.00 0.00 C ATOM 941 O ALA A 64 4.535 -2.694 -23.187 1.00 0.00 O ATOM 942 CB ALA A 64 5.178 0.106 -23.151 1.00 0.00 C ATOM 0 H ALA A 64 5.452 -0.248 -20.734 1.00 0.00 H new ATOM 0 HA ALA A 64 3.203 0.134 -22.329 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.838 0.178 -24.184 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.413 1.102 -22.776 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.070 -0.519 -23.105 1.00 0.00 H new ATOM 948 N GLY A 65 2.376 -2.113 -22.941 1.00 0.00 N ATOM 949 CA GLY A 65 1.886 -3.379 -23.453 1.00 0.00 C ATOM 950 C GLY A 65 1.350 -4.280 -22.358 1.00 0.00 C ATOM 951 O GLY A 65 0.485 -5.120 -22.605 1.00 0.00 O ATOM 0 H GLY A 65 1.649 -1.451 -22.669 1.00 0.00 H new ATOM 0 HA2 GLY A 65 1.098 -3.192 -24.183 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.692 -3.891 -23.978 1.00 0.00 H new ATOM 955 N ILE A 66 1.866 -4.106 -21.146 1.00 0.00 N ATOM 956 CA ILE A 66 1.434 -4.911 -20.010 1.00 0.00 C ATOM 957 C ILE A 66 1.095 -4.031 -18.811 1.00 0.00 C ATOM 958 O ILE A 66 1.923 -3.246 -18.351 1.00 0.00 O ATOM 959 CB ILE A 66 2.514 -5.928 -19.597 1.00 0.00 C ATOM 960 CG1 ILE A 66 2.549 -7.096 -20.584 1.00 0.00 C ATOM 961 CG2 ILE A 66 2.258 -6.429 -18.184 1.00 0.00 C ATOM 962 CD1 ILE A 66 1.198 -7.737 -20.810 1.00 0.00 C ATOM 0 H ILE A 66 2.583 -3.415 -20.925 1.00 0.00 H new ATOM 0 HA ILE A 66 0.541 -5.450 -20.327 1.00 0.00 H new ATOM 0 HB ILE A 66 3.485 -5.432 -19.615 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.939 -6.743 -21.539 1.00 0.00 H new ATOM 0 HG13 ILE A 66 3.243 -7.851 -20.216 1.00 0.00 H new ATOM 0 HG21 ILE A 66 3.030 -7.147 -17.907 1.00 0.00 H new ATOM 0 HG22 ILE A 66 2.279 -5.588 -17.491 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.281 -6.911 -18.140 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.299 -8.557 -21.521 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.815 -8.121 -19.865 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.505 -6.995 -21.208 1.00 0.00 H new ATOM 974 N SER A 67 -0.128 -4.171 -18.309 1.00 0.00 N ATOM 975 CA SER A 67 -0.578 -3.388 -17.164 1.00 0.00 C ATOM 976 C SER A 67 -1.166 -4.292 -16.085 1.00 0.00 C ATOM 977 O SER A 67 -2.286 -4.786 -16.216 1.00 0.00 O ATOM 978 CB SER A 67 -1.617 -2.355 -17.603 1.00 0.00 C ATOM 979 OG SER A 67 -2.815 -2.984 -18.025 1.00 0.00 O ATOM 0 H SER A 67 -0.824 -4.819 -18.677 1.00 0.00 H new ATOM 0 HA SER A 67 0.285 -2.869 -16.747 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.830 -1.676 -16.778 1.00 0.00 H new ATOM 0 HB3 SER A 67 -1.213 -1.752 -18.416 1.00 0.00 H new ATOM 0 HG SER A 67 -2.878 -3.874 -17.619 1.00 0.00 H new ATOM 985 N LYS A 68 -0.403 -4.503 -15.019 1.00 0.00 N ATOM 986 CA LYS A 68 -0.847 -5.346 -13.915 1.00 0.00 C ATOM 987 C LYS A 68 -1.120 -4.511 -12.668 1.00 0.00 C ATOM 988 O LYS A 68 -0.568 -3.424 -12.506 1.00 0.00 O ATOM 989 CB LYS A 68 0.206 -6.414 -13.606 1.00 0.00 C ATOM 990 CG LYS A 68 0.637 -7.213 -14.824 1.00 0.00 C ATOM 991 CD LYS A 68 -0.221 -8.454 -15.008 1.00 0.00 C ATOM 992 CE LYS A 68 -1.421 -8.174 -15.900 1.00 0.00 C ATOM 993 NZ LYS A 68 -1.009 -7.783 -17.277 1.00 0.00 N ATOM 0 H LYS A 68 0.527 -4.102 -14.896 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.774 -5.834 -14.214 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.081 -5.934 -13.169 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.191 -7.097 -12.855 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.569 -6.587 -15.714 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.682 -7.504 -14.718 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.380 -9.252 -15.444 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.564 -8.808 -14.036 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.053 -9.061 -15.948 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.022 -7.378 -15.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.787 -7.976 -17.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.781 -6.768 -17.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.171 -8.331 -17.558 1.00 0.00 H new ATOM 1007 N GLU A 69 -1.974 -5.028 -11.790 1.00 0.00 N ATOM 1008 CA GLU A 69 -2.319 -4.329 -10.558 1.00 0.00 C ATOM 1009 C GLU A 69 -2.260 -5.274 -9.361 1.00 0.00 C ATOM 1010 O GLU A 69 -3.067 -6.197 -9.244 1.00 0.00 O ATOM 1011 CB GLU A 69 -3.715 -3.714 -10.668 1.00 0.00 C ATOM 1012 CG GLU A 69 -3.845 -2.693 -11.786 1.00 0.00 C ATOM 1013 CD GLU A 69 -5.245 -2.121 -11.894 1.00 0.00 C ATOM 1014 OE1 GLU A 69 -6.068 -2.700 -12.633 1.00 0.00 O ATOM 1015 OE2 GLU A 69 -5.517 -1.093 -11.239 1.00 0.00 O ATOM 0 H GLU A 69 -2.439 -5.928 -11.909 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.590 -3.533 -10.406 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.442 -4.510 -10.829 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.968 -3.237 -9.721 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.137 -1.882 -11.616 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.573 -3.160 -12.733 1.00 0.00 H new ATOM 1022 N LEU A 70 -1.299 -5.038 -8.475 1.00 0.00 N ATOM 1023 CA LEU A 70 -1.133 -5.867 -7.287 1.00 0.00 C ATOM 1024 C LEU A 70 -1.598 -5.128 -6.037 1.00 0.00 C ATOM 1025 O LEU A 70 -1.598 -3.896 -5.995 1.00 0.00 O ATOM 1026 CB LEU A 70 0.331 -6.284 -7.132 1.00 0.00 C ATOM 1027 CG LEU A 70 0.821 -7.378 -8.079 1.00 0.00 C ATOM 1028 CD1 LEU A 70 0.160 -8.707 -7.748 1.00 0.00 C ATOM 1029 CD2 LEU A 70 0.551 -6.992 -9.526 1.00 0.00 C ATOM 0 H LEU A 70 -0.623 -4.279 -8.557 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.748 -6.759 -7.409 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.956 -5.402 -7.274 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.485 -6.623 -6.107 1.00 0.00 H new ATOM 0 HG LEU A 70 1.897 -7.489 -7.948 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.522 -9.474 -8.433 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.405 -8.990 -6.724 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.921 -8.611 -7.849 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.907 -7.783 -10.186 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.520 -6.852 -9.671 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.073 -6.064 -9.758 1.00 0.00 H new ATOM 1041 N LEU A 71 -1.993 -5.885 -5.020 1.00 0.00 N ATOM 1042 CA LEU A 71 -2.459 -5.302 -3.767 1.00 0.00 C ATOM 1043 C LEU A 71 -1.913 -6.074 -2.570 1.00 0.00 C ATOM 1044 O LEU A 71 -2.142 -7.276 -2.438 1.00 0.00 O ATOM 1045 CB LEU A 71 -3.988 -5.290 -3.725 1.00 0.00 C ATOM 1046 CG LEU A 71 -4.628 -4.168 -2.905 1.00 0.00 C ATOM 1047 CD1 LEU A 71 -3.962 -4.057 -1.542 1.00 0.00 C ATOM 1048 CD2 LEU A 71 -4.543 -2.846 -3.652 1.00 0.00 C ATOM 0 H LEU A 71 -2.000 -6.905 -5.038 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.091 -4.277 -3.713 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.359 -5.223 -4.748 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.328 -6.245 -3.325 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.680 -4.409 -2.754 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.430 -3.254 -0.973 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.076 -4.998 -1.004 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.902 -3.840 -1.672 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.003 -2.060 -3.054 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.497 -2.598 -3.835 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.067 -2.931 -4.604 1.00 0.00 H new ATOM 1060 N GLU A 72 -1.190 -5.374 -1.701 1.00 0.00 N ATOM 1061 CA GLU A 72 -0.613 -5.994 -0.514 1.00 0.00 C ATOM 1062 C GLU A 72 -1.486 -5.743 0.711 1.00 0.00 C ATOM 1063 O GLU A 72 -2.296 -4.816 0.729 1.00 0.00 O ATOM 1064 CB GLU A 72 0.799 -5.458 -0.267 1.00 0.00 C ATOM 1065 CG GLU A 72 1.716 -6.454 0.423 1.00 0.00 C ATOM 1066 CD GLU A 72 2.258 -7.504 -0.528 1.00 0.00 C ATOM 1067 OE1 GLU A 72 3.062 -7.143 -1.413 1.00 0.00 O ATOM 1068 OE2 GLU A 72 1.878 -8.685 -0.387 1.00 0.00 O ATOM 0 H GLU A 72 -0.990 -4.378 -1.797 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.561 -7.069 -0.686 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.241 -5.170 -1.221 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.735 -4.555 0.340 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.548 -5.919 0.881 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.171 -6.946 1.229 1.00 0.00 H new ATOM 1075 N GLU A 73 -1.315 -6.575 1.734 1.00 0.00 N ATOM 1076 CA GLU A 73 -2.088 -6.443 2.963 1.00 0.00 C ATOM 1077 C GLU A 73 -1.187 -6.561 4.189 1.00 0.00 C ATOM 1078 O GLU A 73 -0.441 -7.529 4.334 1.00 0.00 O ATOM 1079 CB GLU A 73 -3.185 -7.509 3.019 1.00 0.00 C ATOM 1080 CG GLU A 73 -4.129 -7.473 1.829 1.00 0.00 C ATOM 1081 CD GLU A 73 -3.431 -7.783 0.520 1.00 0.00 C ATOM 1082 OE1 GLU A 73 -2.426 -8.525 0.545 1.00 0.00 O ATOM 1083 OE2 GLU A 73 -3.888 -7.285 -0.530 1.00 0.00 O ATOM 0 H GLU A 73 -0.648 -7.347 1.736 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.550 -5.456 2.966 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.721 -8.494 3.074 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.762 -7.377 3.934 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.933 -8.192 1.986 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.590 -6.487 1.766 1.00 0.00 H new ATOM 1090 N VAL A 74 -1.261 -5.567 5.068 1.00 0.00 N ATOM 1091 CA VAL A 74 -0.453 -5.557 6.282 1.00 0.00 C ATOM 1092 C VAL A 74 -1.288 -5.165 7.495 1.00 0.00 C ATOM 1093 O VAL A 74 -2.303 -4.480 7.368 1.00 0.00 O ATOM 1094 CB VAL A 74 0.737 -4.588 6.156 1.00 0.00 C ATOM 1095 CG1 VAL A 74 1.931 -5.288 5.524 1.00 0.00 C ATOM 1096 CG2 VAL A 74 0.341 -3.360 5.351 1.00 0.00 C ATOM 0 H VAL A 74 -1.873 -4.758 4.962 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.074 -6.570 6.418 1.00 0.00 H new ATOM 0 HB VAL A 74 1.025 -4.262 7.155 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.762 -4.588 5.443 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.228 -6.133 6.145 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.659 -5.645 4.531 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.194 -2.686 5.272 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.026 -3.665 4.353 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.481 -2.847 5.850 1.00 0.00 H new ATOM 1106 N GLY A 75 -0.854 -5.603 8.673 1.00 0.00 N ATOM 1107 CA GLY A 75 -1.573 -5.287 9.893 1.00 0.00 C ATOM 1108 C GLY A 75 -0.912 -4.176 10.684 1.00 0.00 C ATOM 1109 O GLY A 75 -0.084 -3.436 10.153 1.00 0.00 O ATOM 0 H GLY A 75 -0.017 -6.171 8.804 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.593 -4.995 9.644 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.640 -6.181 10.514 1.00 0.00 H new ATOM 1113 N GLN A 76 -1.280 -4.057 11.956 1.00 0.00 N ATOM 1114 CA GLN A 76 -0.718 -3.026 12.820 1.00 0.00 C ATOM 1115 C GLN A 76 0.655 -3.439 13.339 1.00 0.00 C ATOM 1116 O GLN A 76 1.485 -2.593 13.669 1.00 0.00 O ATOM 1117 CB GLN A 76 -1.658 -2.748 13.995 1.00 0.00 C ATOM 1118 CG GLN A 76 -1.863 -3.946 14.907 1.00 0.00 C ATOM 1119 CD GLN A 76 -0.855 -3.998 16.038 1.00 0.00 C ATOM 1120 OE1 GLN A 76 -0.107 -4.967 16.175 1.00 0.00 O ATOM 1121 NE2 GLN A 76 -0.829 -2.952 16.857 1.00 0.00 N ATOM 0 H GLN A 76 -1.964 -4.662 12.410 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.604 -2.116 12.231 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.259 -1.920 14.581 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -2.625 -2.427 13.608 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -2.870 -3.912 15.324 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -1.792 -4.861 14.320 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -1.467 -2.170 16.706 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -0.171 -2.931 17.636 1.00 0.00 H new ATOM 1130 N ASN A 77 0.887 -4.746 13.409 1.00 0.00 N ATOM 1131 CA ASN A 77 2.160 -5.272 13.889 1.00 0.00 C ATOM 1132 C ASN A 77 3.081 -5.617 12.722 1.00 0.00 C ATOM 1133 O ASN A 77 3.639 -6.711 12.661 1.00 0.00 O ATOM 1134 CB ASN A 77 1.930 -6.512 14.755 1.00 0.00 C ATOM 1135 CG ASN A 77 0.771 -7.355 14.260 1.00 0.00 C ATOM 1136 OD1 ASN A 77 0.971 -8.035 13.137 1.00 0.00 O flip ATOM 1137 ND2 ASN A 77 -0.292 -7.395 14.880 1.00 0.00 N flip ATOM 0 H ASN A 77 0.210 -5.460 13.140 1.00 0.00 H new ATOM 0 HA ASN A 77 2.639 -4.500 14.491 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.837 -7.117 14.767 1.00 0.00 H new ATOM 0 HB3 ASN A 77 1.739 -6.204 15.783 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -0.402 -6.856 15.739 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -1.063 -7.967 14.535 1.00 0.00 H new ATOM 1144 N GLY A 78 3.235 -4.673 11.798 1.00 0.00 N ATOM 1145 CA GLY A 78 4.089 -4.896 10.646 1.00 0.00 C ATOM 1146 C GLY A 78 5.046 -3.746 10.403 1.00 0.00 C ATOM 1147 O GLY A 78 6.245 -3.955 10.216 1.00 0.00 O ATOM 0 H GLY A 78 2.784 -3.759 11.827 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.658 -5.814 10.792 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.470 -5.042 9.761 1.00 0.00 H new ATOM 1151 N SER A 79 4.516 -2.527 10.403 1.00 0.00 N ATOM 1152 CA SER A 79 5.331 -1.339 10.175 1.00 0.00 C ATOM 1153 C SER A 79 6.425 -1.619 9.149 1.00 0.00 C ATOM 1154 O SER A 79 7.505 -1.031 9.201 1.00 0.00 O ATOM 1155 CB SER A 79 5.957 -0.864 11.487 1.00 0.00 C ATOM 1156 OG SER A 79 4.959 -0.497 12.424 1.00 0.00 O ATOM 0 H SER A 79 3.526 -2.336 10.558 1.00 0.00 H new ATOM 0 HA SER A 79 4.683 -0.554 9.785 1.00 0.00 H new ATOM 0 HB2 SER A 79 6.579 -1.656 11.905 1.00 0.00 H new ATOM 0 HB3 SER A 79 6.611 -0.013 11.295 1.00 0.00 H new ATOM 0 HG SER A 79 5.384 -0.199 13.255 1.00 0.00 H new ATOM 1162 N ARG A 80 6.136 -2.522 8.217 1.00 0.00 N ATOM 1163 CA ARG A 80 7.094 -2.882 7.179 1.00 0.00 C ATOM 1164 C ARG A 80 6.458 -3.811 6.150 1.00 0.00 C ATOM 1165 O ARG A 80 5.757 -4.758 6.504 1.00 0.00 O ATOM 1166 CB ARG A 80 8.321 -3.553 7.799 1.00 0.00 C ATOM 1167 CG ARG A 80 9.305 -4.091 6.772 1.00 0.00 C ATOM 1168 CD ARG A 80 10.646 -4.424 7.407 1.00 0.00 C ATOM 1169 NE ARG A 80 10.698 -5.804 7.883 1.00 0.00 N ATOM 1170 CZ ARG A 80 11.753 -6.330 8.495 1.00 0.00 C ATOM 1171 NH1 ARG A 80 12.837 -5.596 8.705 1.00 0.00 N ATOM 1172 NH2 ARG A 80 11.725 -7.594 8.900 1.00 0.00 N ATOM 0 H ARG A 80 5.246 -3.017 8.160 1.00 0.00 H new ATOM 0 HA ARG A 80 7.405 -1.968 6.673 1.00 0.00 H new ATOM 0 HB2 ARG A 80 8.833 -2.834 8.439 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.992 -4.372 8.439 1.00 0.00 H new ATOM 0 HG2 ARG A 80 8.891 -4.984 6.303 1.00 0.00 H new ATOM 0 HG3 ARG A 80 9.448 -3.353 5.982 1.00 0.00 H new ATOM 0 HD2 ARG A 80 11.442 -4.261 6.680 1.00 0.00 H new ATOM 0 HD3 ARG A 80 10.831 -3.746 8.240 1.00 0.00 H new ATOM 0 HE ARG A 80 9.880 -6.396 7.738 1.00 0.00 H new ATOM 0 HH11 ARG A 80 12.863 -4.624 8.396 1.00 0.00 H new ATOM 0 HH12 ARG A 80 13.645 -6.003 9.175 1.00 0.00 H new ATOM 0 HH21 ARG A 80 10.893 -8.162 8.741 1.00 0.00 H new ATOM 0 HH22 ARG A 80 12.536 -7.997 9.370 1.00 0.00 H new ATOM 1186 N ALA A 81 6.707 -3.533 4.874 1.00 0.00 N ATOM 1187 CA ALA A 81 6.160 -4.345 3.794 1.00 0.00 C ATOM 1188 C ALA A 81 7.160 -4.483 2.651 1.00 0.00 C ATOM 1189 O ALA A 81 7.830 -3.520 2.280 1.00 0.00 O ATOM 1190 CB ALA A 81 4.858 -3.742 3.289 1.00 0.00 C ATOM 0 H ALA A 81 7.284 -2.751 4.563 1.00 0.00 H new ATOM 0 HA ALA A 81 5.958 -5.341 4.187 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.460 -4.358 2.483 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.136 -3.701 4.104 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.044 -2.734 2.918 1.00 0.00 H new ATOM 1196 N ARG A 82 7.256 -5.688 2.098 1.00 0.00 N ATOM 1197 CA ARG A 82 8.175 -5.952 0.998 1.00 0.00 C ATOM 1198 C ARG A 82 7.437 -6.550 -0.196 1.00 0.00 C ATOM 1199 O ARG A 82 6.588 -7.427 -0.038 1.00 0.00 O ATOM 1200 CB ARG A 82 9.286 -6.901 1.451 1.00 0.00 C ATOM 1201 CG ARG A 82 10.386 -7.089 0.419 1.00 0.00 C ATOM 1202 CD ARG A 82 11.463 -8.039 0.918 1.00 0.00 C ATOM 1203 NE ARG A 82 12.212 -7.477 2.039 1.00 0.00 N ATOM 1204 CZ ARG A 82 11.817 -7.563 3.304 1.00 0.00 C ATOM 1205 NH1 ARG A 82 10.687 -8.185 3.608 1.00 0.00 N ATOM 1206 NH2 ARG A 82 12.554 -7.026 4.269 1.00 0.00 N ATOM 0 H ARG A 82 6.709 -6.496 2.394 1.00 0.00 H new ATOM 0 HA ARG A 82 8.618 -5.004 0.692 1.00 0.00 H new ATOM 0 HB2 ARG A 82 9.725 -6.519 2.372 1.00 0.00 H new ATOM 0 HB3 ARG A 82 8.850 -7.872 1.685 1.00 0.00 H new ATOM 0 HG2 ARG A 82 9.957 -7.477 -0.505 1.00 0.00 H new ATOM 0 HG3 ARG A 82 10.833 -6.123 0.182 1.00 0.00 H new ATOM 0 HD2 ARG A 82 11.004 -8.979 1.224 1.00 0.00 H new ATOM 0 HD3 ARG A 82 12.149 -8.270 0.103 1.00 0.00 H new ATOM 0 HE ARG A 82 13.087 -6.992 1.839 1.00 0.00 H new ATOM 0 HH11 ARG A 82 10.118 -8.599 2.870 1.00 0.00 H new ATOM 0 HH12 ARG A 82 10.386 -8.250 4.580 1.00 0.00 H new ATOM 0 HH21 ARG A 82 13.425 -6.547 4.039 1.00 0.00 H new ATOM 0 HH22 ARG A 82 12.250 -7.093 5.240 1.00 0.00 H new ATOM 1220 N ILE A 83 7.766 -6.068 -1.390 1.00 0.00 N ATOM 1221 CA ILE A 83 7.135 -6.554 -2.611 1.00 0.00 C ATOM 1222 C ILE A 83 8.166 -7.151 -3.562 1.00 0.00 C ATOM 1223 O ILE A 83 9.269 -6.625 -3.708 1.00 0.00 O ATOM 1224 CB ILE A 83 6.373 -5.430 -3.337 1.00 0.00 C ATOM 1225 CG1 ILE A 83 5.751 -4.468 -2.322 1.00 0.00 C ATOM 1226 CG2 ILE A 83 5.301 -6.018 -4.243 1.00 0.00 C ATOM 1227 CD1 ILE A 83 5.019 -3.308 -2.960 1.00 0.00 C ATOM 0 H ILE A 83 8.466 -5.341 -1.538 1.00 0.00 H new ATOM 0 HA ILE A 83 6.427 -7.328 -2.314 1.00 0.00 H new ATOM 0 HB ILE A 83 7.078 -4.872 -3.954 1.00 0.00 H new ATOM 0 HG12 ILE A 83 5.058 -5.020 -1.688 1.00 0.00 H new ATOM 0 HG13 ILE A 83 6.536 -4.079 -1.673 1.00 0.00 H new ATOM 0 HG21 ILE A 83 4.770 -5.212 -4.750 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.767 -6.668 -4.984 1.00 0.00 H new ATOM 0 HG23 ILE A 83 4.597 -6.596 -3.645 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.604 -2.668 -2.182 1.00 0.00 H new ATOM 0 HD12 ILE A 83 5.713 -2.732 -3.572 1.00 0.00 H new ATOM 0 HD13 ILE A 83 4.212 -3.687 -3.587 1.00 0.00 H new ATOM 1239 N SER A 84 7.798 -8.252 -4.210 1.00 0.00 N ATOM 1240 CA SER A 84 8.692 -8.922 -5.147 1.00 0.00 C ATOM 1241 C SER A 84 8.483 -8.400 -6.565 1.00 0.00 C ATOM 1242 O SER A 84 7.449 -8.649 -7.185 1.00 0.00 O ATOM 1243 CB SER A 84 8.464 -10.435 -5.110 1.00 0.00 C ATOM 1244 OG SER A 84 9.127 -11.023 -4.005 1.00 0.00 O ATOM 0 H SER A 84 6.887 -8.699 -4.103 1.00 0.00 H new ATOM 0 HA SER A 84 9.718 -8.709 -4.847 1.00 0.00 H new ATOM 0 HB2 SER A 84 7.396 -10.644 -5.050 1.00 0.00 H new ATOM 0 HB3 SER A 84 8.825 -10.883 -6.036 1.00 0.00 H new ATOM 0 HG SER A 84 8.965 -11.989 -4.003 1.00 0.00 H new ATOM 1250 N VAL A 85 9.473 -7.673 -7.073 1.00 0.00 N ATOM 1251 CA VAL A 85 9.400 -7.115 -8.419 1.00 0.00 C ATOM 1252 C VAL A 85 8.673 -8.062 -9.367 1.00 0.00 C ATOM 1253 O VAL A 85 9.222 -9.081 -9.784 1.00 0.00 O ATOM 1254 CB VAL A 85 10.803 -6.821 -8.981 1.00 0.00 C ATOM 1255 CG1 VAL A 85 10.707 -6.281 -10.400 1.00 0.00 C ATOM 1256 CG2 VAL A 85 11.545 -5.845 -8.080 1.00 0.00 C ATOM 0 H VAL A 85 10.335 -7.456 -6.573 1.00 0.00 H new ATOM 0 HA VAL A 85 8.843 -6.181 -8.345 1.00 0.00 H new ATOM 0 HB VAL A 85 11.366 -7.754 -9.009 1.00 0.00 H new ATOM 0 HG11 VAL A 85 11.708 -6.079 -10.781 1.00 0.00 H new ATOM 0 HG12 VAL A 85 10.218 -7.018 -11.037 1.00 0.00 H new ATOM 0 HG13 VAL A 85 10.126 -5.359 -10.400 1.00 0.00 H new ATOM 0 HG21 VAL A 85 12.535 -5.649 -8.493 1.00 0.00 H new ATOM 0 HG22 VAL A 85 10.986 -4.911 -8.017 1.00 0.00 H new ATOM 0 HG23 VAL A 85 11.646 -6.275 -7.083 1.00 0.00 H new ATOM 1266 N GLN A 86 7.434 -7.716 -9.704 1.00 0.00 N ATOM 1267 CA GLN A 86 6.631 -8.536 -10.603 1.00 0.00 C ATOM 1268 C GLN A 86 6.944 -8.212 -12.060 1.00 0.00 C ATOM 1269 O GLN A 86 6.903 -9.088 -12.925 1.00 0.00 O ATOM 1270 CB GLN A 86 5.141 -8.321 -10.330 1.00 0.00 C ATOM 1271 CG GLN A 86 4.744 -8.587 -8.887 1.00 0.00 C ATOM 1272 CD GLN A 86 4.466 -10.053 -8.618 1.00 0.00 C ATOM 1273 OE1 GLN A 86 4.439 -10.870 -9.538 1.00 0.00 O ATOM 1274 NE2 GLN A 86 4.258 -10.394 -7.352 1.00 0.00 N ATOM 0 H GLN A 86 6.965 -6.874 -9.368 1.00 0.00 H new ATOM 0 HA GLN A 86 6.880 -9.581 -10.420 1.00 0.00 H new ATOM 0 HB2 GLN A 86 4.877 -7.295 -10.588 1.00 0.00 H new ATOM 0 HB3 GLN A 86 4.562 -8.973 -10.984 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.541 -8.245 -8.226 1.00 0.00 H new ATOM 0 HG3 GLN A 86 3.856 -8.003 -8.645 1.00 0.00 H new ATOM 0 HE21 GLN A 86 4.290 -9.684 -6.621 1.00 0.00 H new ATOM 0 HE22 GLN A 86 4.067 -11.366 -7.111 1.00 0.00 H new ATOM 1283 N VAL A 87 7.257 -6.947 -12.326 1.00 0.00 N ATOM 1284 CA VAL A 87 7.578 -6.508 -13.679 1.00 0.00 C ATOM 1285 C VAL A 87 8.814 -5.616 -13.688 1.00 0.00 C ATOM 1286 O VAL A 87 9.038 -4.837 -12.761 1.00 0.00 O ATOM 1287 CB VAL A 87 6.402 -5.742 -14.314 1.00 0.00 C ATOM 1288 CG1 VAL A 87 6.880 -4.916 -15.498 1.00 0.00 C ATOM 1289 CG2 VAL A 87 5.303 -6.707 -14.734 1.00 0.00 C ATOM 0 H VAL A 87 7.295 -6.209 -11.623 1.00 0.00 H new ATOM 0 HA VAL A 87 7.776 -7.406 -14.265 1.00 0.00 H new ATOM 0 HB VAL A 87 5.990 -5.060 -13.570 1.00 0.00 H new ATOM 0 HG11 VAL A 87 6.036 -4.382 -15.934 1.00 0.00 H new ATOM 0 HG12 VAL A 87 7.629 -4.199 -15.162 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.319 -5.575 -16.248 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.480 -6.149 -15.181 1.00 0.00 H new ATOM 0 HG22 VAL A 87 5.699 -7.415 -15.462 1.00 0.00 H new ATOM 0 HG23 VAL A 87 4.942 -7.249 -13.860 1.00 0.00 H new ATOM 1299 N HIS A 88 9.616 -5.736 -14.742 1.00 0.00 N ATOM 1300 CA HIS A 88 10.831 -4.940 -14.872 1.00 0.00 C ATOM 1301 C HIS A 88 10.686 -3.906 -15.985 1.00 0.00 C ATOM 1302 O HIS A 88 9.945 -4.113 -16.945 1.00 0.00 O ATOM 1303 CB HIS A 88 12.031 -5.844 -15.155 1.00 0.00 C ATOM 1304 CG HIS A 88 12.662 -6.405 -13.918 1.00 0.00 C ATOM 1305 ND1 HIS A 88 12.548 -7.729 -13.548 1.00 0.00 N ATOM 1306 CD2 HIS A 88 13.419 -5.814 -12.964 1.00 0.00 C ATOM 1307 CE1 HIS A 88 13.206 -7.927 -12.420 1.00 0.00 C ATOM 1308 NE2 HIS A 88 13.745 -6.781 -12.045 1.00 0.00 N ATOM 0 H HIS A 88 9.446 -6.376 -15.518 1.00 0.00 H new ATOM 0 HA HIS A 88 10.994 -4.416 -13.930 1.00 0.00 H new ATOM 0 HB2 HIS A 88 11.713 -6.666 -15.796 1.00 0.00 H new ATOM 0 HB3 HIS A 88 12.779 -5.278 -15.710 1.00 0.00 H new ATOM 0 HD2 HIS A 88 13.712 -4.775 -12.932 1.00 0.00 H new ATOM 0 HE1 HIS A 88 13.289 -8.866 -11.894 1.00 0.00 H new ATOM 0 HE2 HIS A 88 14.311 -6.638 -11.209 1.00 0.00 H new ATOM 1317 N ASN A 89 11.398 -2.792 -15.847 1.00 0.00 N ATOM 1318 CA ASN A 89 11.347 -1.725 -16.840 1.00 0.00 C ATOM 1319 C ASN A 89 9.934 -1.162 -16.961 1.00 0.00 C ATOM 1320 O ASN A 89 9.450 -0.905 -18.063 1.00 0.00 O ATOM 1321 CB ASN A 89 11.820 -2.242 -18.200 1.00 0.00 C ATOM 1322 CG ASN A 89 12.090 -1.119 -19.183 1.00 0.00 C ATOM 1323 OD1 ASN A 89 11.532 -0.028 -19.064 1.00 0.00 O ATOM 1324 ND2 ASN A 89 12.948 -1.383 -20.162 1.00 0.00 N ATOM 0 H ASN A 89 12.017 -2.605 -15.058 1.00 0.00 H new ATOM 0 HA ASN A 89 12.011 -0.925 -16.512 1.00 0.00 H new ATOM 0 HB2 ASN A 89 12.728 -2.830 -18.066 1.00 0.00 H new ATOM 0 HB3 ASN A 89 11.065 -2.910 -18.614 1.00 0.00 H new ATOM 0 HD21 ASN A 89 13.168 -0.667 -20.854 1.00 0.00 H new ATOM 0 HD22 ASN A 89 13.387 -2.302 -20.221 1.00 0.00 H new ATOM 1331 N ALA A 90 9.278 -0.972 -15.821 1.00 0.00 N ATOM 1332 CA ALA A 90 7.923 -0.437 -15.799 1.00 0.00 C ATOM 1333 C ALA A 90 7.773 0.636 -14.726 1.00 0.00 C ATOM 1334 O ALA A 90 8.682 0.861 -13.926 1.00 0.00 O ATOM 1335 CB ALA A 90 6.917 -1.556 -15.573 1.00 0.00 C ATOM 0 H ALA A 90 9.664 -1.181 -14.900 1.00 0.00 H new ATOM 0 HA ALA A 90 7.726 0.024 -16.767 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.909 -1.142 -15.559 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.998 -2.286 -16.378 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.122 -2.043 -14.620 1.00 0.00 H new ATOM 1341 N THR A 91 6.620 1.299 -14.715 1.00 0.00 N ATOM 1342 CA THR A 91 6.353 2.350 -13.741 1.00 0.00 C ATOM 1343 C THR A 91 5.375 1.874 -12.673 1.00 0.00 C ATOM 1344 O THR A 91 4.214 1.586 -12.965 1.00 0.00 O ATOM 1345 CB THR A 91 5.782 3.610 -14.418 1.00 0.00 C ATOM 1346 OG1 THR A 91 4.702 3.253 -15.288 1.00 0.00 O ATOM 1347 CG2 THR A 91 6.860 4.334 -15.211 1.00 0.00 C ATOM 0 H THR A 91 5.857 1.126 -15.369 1.00 0.00 H new ATOM 0 HA THR A 91 7.306 2.597 -13.273 1.00 0.00 H new ATOM 0 HB THR A 91 5.415 4.278 -13.639 1.00 0.00 H new ATOM 0 HG1 THR A 91 4.125 2.599 -14.841 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.433 5.220 -15.680 1.00 0.00 H new ATOM 0 HG22 THR A 91 7.667 4.631 -14.541 1.00 0.00 H new ATOM 0 HG23 THR A 91 7.253 3.670 -15.981 1.00 0.00 H new ATOM 1355 N CYS A 92 5.851 1.794 -11.436 1.00 0.00 N ATOM 1356 CA CYS A 92 5.017 1.353 -10.323 1.00 0.00 C ATOM 1357 C CYS A 92 4.665 2.523 -9.410 1.00 0.00 C ATOM 1358 O CYS A 92 5.483 3.414 -9.179 1.00 0.00 O ATOM 1359 CB CYS A 92 5.734 0.264 -9.523 1.00 0.00 C ATOM 1360 SG CYS A 92 4.780 -0.374 -8.126 1.00 0.00 S ATOM 0 H CYS A 92 6.810 2.028 -11.178 1.00 0.00 H new ATOM 0 HA CYS A 92 4.093 0.945 -10.732 1.00 0.00 H new ATOM 0 HB2 CYS A 92 5.977 -0.562 -10.191 1.00 0.00 H new ATOM 0 HB3 CYS A 92 6.678 0.663 -9.153 1.00 0.00 H new ATOM 0 HG CYS A 92 3.563 -0.624 -8.509 1.00 0.00 H new ATOM 1366 N THR A 93 3.439 2.515 -8.894 1.00 0.00 N ATOM 1367 CA THR A 93 2.977 3.577 -8.009 1.00 0.00 C ATOM 1368 C THR A 93 2.645 3.032 -6.624 1.00 0.00 C ATOM 1369 O THR A 93 1.723 2.232 -6.465 1.00 0.00 O ATOM 1370 CB THR A 93 1.734 4.284 -8.582 1.00 0.00 C ATOM 1371 OG1 THR A 93 1.853 4.410 -10.003 1.00 0.00 O ATOM 1372 CG2 THR A 93 1.559 5.660 -7.958 1.00 0.00 C ATOM 0 H THR A 93 2.749 1.785 -9.074 1.00 0.00 H new ATOM 0 HA THR A 93 3.790 4.298 -7.927 1.00 0.00 H new ATOM 0 HB THR A 93 0.858 3.681 -8.344 1.00 0.00 H new ATOM 0 HG1 THR A 93 1.058 4.859 -10.359 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.675 6.140 -8.378 1.00 0.00 H new ATOM 0 HG22 THR A 93 1.439 5.558 -6.880 1.00 0.00 H new ATOM 0 HG23 THR A 93 2.438 6.270 -8.169 1.00 0.00 H new ATOM 1380 N VAL A 94 3.401 3.472 -5.624 1.00 0.00 N ATOM 1381 CA VAL A 94 3.186 3.030 -4.251 1.00 0.00 C ATOM 1382 C VAL A 94 2.239 3.970 -3.513 1.00 0.00 C ATOM 1383 O VAL A 94 2.294 5.187 -3.689 1.00 0.00 O ATOM 1384 CB VAL A 94 4.513 2.943 -3.475 1.00 0.00 C ATOM 1385 CG1 VAL A 94 4.275 2.423 -2.065 1.00 0.00 C ATOM 1386 CG2 VAL A 94 5.507 2.061 -4.216 1.00 0.00 C ATOM 0 H VAL A 94 4.168 4.134 -5.738 1.00 0.00 H new ATOM 0 HA VAL A 94 2.739 2.037 -4.304 1.00 0.00 H new ATOM 0 HB VAL A 94 4.936 3.945 -3.400 1.00 0.00 H new ATOM 0 HG11 VAL A 94 5.224 2.368 -1.532 1.00 0.00 H new ATOM 0 HG12 VAL A 94 3.601 3.098 -1.537 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.829 1.430 -2.114 1.00 0.00 H new ATOM 0 HG21 VAL A 94 6.439 2.011 -3.653 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.094 1.058 -4.324 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.701 2.481 -5.203 1.00 0.00 H new ATOM 1396 N ARG A 95 1.371 3.397 -2.686 1.00 0.00 N ATOM 1397 CA ARG A 95 0.411 4.184 -1.921 1.00 0.00 C ATOM 1398 C ARG A 95 -0.037 3.430 -0.672 1.00 0.00 C ATOM 1399 O ARG A 95 -0.538 2.309 -0.758 1.00 0.00 O ATOM 1400 CB ARG A 95 -0.803 4.527 -2.785 1.00 0.00 C ATOM 1401 CG ARG A 95 -0.486 5.469 -3.935 1.00 0.00 C ATOM 1402 CD ARG A 95 -1.746 5.887 -4.677 1.00 0.00 C ATOM 1403 NE ARG A 95 -2.594 6.758 -3.868 1.00 0.00 N ATOM 1404 CZ ARG A 95 -3.538 7.543 -4.376 1.00 0.00 C ATOM 1405 NH1 ARG A 95 -3.753 7.564 -5.684 1.00 0.00 N ATOM 1406 NH2 ARG A 95 -4.269 8.307 -3.575 1.00 0.00 N ATOM 0 H ARG A 95 1.313 2.391 -2.528 1.00 0.00 H new ATOM 0 HA ARG A 95 0.901 5.107 -1.611 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -1.224 3.606 -3.187 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -1.569 4.980 -2.156 1.00 0.00 H new ATOM 0 HG2 ARG A 95 0.022 6.354 -3.552 1.00 0.00 H new ATOM 0 HG3 ARG A 95 0.200 4.981 -4.627 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -1.471 6.402 -5.597 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -2.309 4.999 -4.965 1.00 0.00 H new ATOM 0 HE ARG A 95 -2.454 6.764 -2.858 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -3.193 6.977 -6.302 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -4.478 8.167 -6.072 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -4.107 8.292 -2.568 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -4.993 8.909 -3.966 1.00 0.00 H new ATOM 1420 N ILE A 96 0.148 4.054 0.487 1.00 0.00 N ATOM 1421 CA ILE A 96 -0.237 3.442 1.753 1.00 0.00 C ATOM 1422 C ILE A 96 -1.367 4.221 2.418 1.00 0.00 C ATOM 1423 O ILE A 96 -1.500 5.429 2.224 1.00 0.00 O ATOM 1424 CB ILE A 96 0.955 3.359 2.724 1.00 0.00 C ATOM 1425 CG1 ILE A 96 2.178 2.773 2.015 1.00 0.00 C ATOM 1426 CG2 ILE A 96 0.590 2.522 3.941 1.00 0.00 C ATOM 1427 CD1 ILE A 96 3.391 2.646 2.910 1.00 0.00 C ATOM 0 H ILE A 96 0.562 4.982 0.575 1.00 0.00 H new ATOM 0 HA ILE A 96 -0.579 2.433 1.525 1.00 0.00 H new ATOM 0 HB ILE A 96 1.201 4.366 3.061 1.00 0.00 H new ATOM 0 HG12 ILE A 96 1.923 1.789 1.621 1.00 0.00 H new ATOM 0 HG13 ILE A 96 2.430 3.403 1.162 1.00 0.00 H new ATOM 0 HG21 ILE A 96 1.443 2.473 4.618 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -0.256 2.978 4.456 1.00 0.00 H new ATOM 0 HG23 ILE A 96 0.321 1.515 3.623 1.00 0.00 H new ATOM 0 HD11 ILE A 96 4.220 2.224 2.342 1.00 0.00 H new ATOM 0 HD12 ILE A 96 3.672 3.631 3.284 1.00 0.00 H new ATOM 0 HD13 ILE A 96 3.157 1.992 3.750 1.00 0.00 H new ATOM 1439 N ALA A 97 -2.177 3.521 3.205 1.00 0.00 N ATOM 1440 CA ALA A 97 -3.293 4.147 3.903 1.00 0.00 C ATOM 1441 C ALA A 97 -3.483 3.543 5.290 1.00 0.00 C ATOM 1442 O ALA A 97 -3.013 2.439 5.565 1.00 0.00 O ATOM 1443 CB ALA A 97 -4.570 4.010 3.086 1.00 0.00 C ATOM 0 H ALA A 97 -2.081 2.520 3.375 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.064 5.206 4.025 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.395 4.482 3.619 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.437 4.496 2.119 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.793 2.954 2.934 1.00 0.00 H new ATOM 1449 N ALA A 98 -4.172 4.274 6.160 1.00 0.00 N ATOM 1450 CA ALA A 98 -4.424 3.808 7.518 1.00 0.00 C ATOM 1451 C ALA A 98 -5.728 3.021 7.595 1.00 0.00 C ATOM 1452 O ALA A 98 -6.773 3.484 7.138 1.00 0.00 O ATOM 1453 CB ALA A 98 -4.459 4.985 8.481 1.00 0.00 C ATOM 0 H ALA A 98 -4.566 5.191 5.949 1.00 0.00 H new ATOM 0 HA ALA A 98 -3.610 3.142 7.804 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.648 4.623 9.492 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -3.501 5.505 8.455 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -5.253 5.672 8.187 1.00 0.00 H new ATOM 1459 N VAL A 99 -5.659 1.827 8.176 1.00 0.00 N ATOM 1460 CA VAL A 99 -6.834 0.975 8.314 1.00 0.00 C ATOM 1461 C VAL A 99 -7.258 0.854 9.774 1.00 0.00 C ATOM 1462 O VAL A 99 -6.437 0.576 10.649 1.00 0.00 O ATOM 1463 CB VAL A 99 -6.576 -0.434 7.748 1.00 0.00 C ATOM 1464 CG1 VAL A 99 -7.706 -1.378 8.127 1.00 0.00 C ATOM 1465 CG2 VAL A 99 -6.402 -0.377 6.238 1.00 0.00 C ATOM 0 H VAL A 99 -4.802 1.428 8.559 1.00 0.00 H new ATOM 0 HA VAL A 99 -7.634 1.447 7.744 1.00 0.00 H new ATOM 0 HB VAL A 99 -5.653 -0.818 8.184 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.505 -2.368 7.718 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -7.778 -1.442 9.213 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -8.646 -1.002 7.722 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.221 -1.381 5.855 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -7.306 0.027 5.783 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.555 0.263 5.993 1.00 0.00 H new ATOM 1475 N THR A 100 -8.545 1.065 10.030 1.00 0.00 N ATOM 1476 CA THR A 100 -9.078 0.980 11.384 1.00 0.00 C ATOM 1477 C THR A 100 -10.282 0.047 11.443 1.00 0.00 C ATOM 1478 O THR A 100 -10.646 -0.577 10.446 1.00 0.00 O ATOM 1479 CB THR A 100 -9.491 2.367 11.913 1.00 0.00 C ATOM 1480 OG1 THR A 100 -10.600 2.869 11.158 1.00 0.00 O ATOM 1481 CG2 THR A 100 -8.329 3.345 11.830 1.00 0.00 C ATOM 0 H THR A 100 -9.238 1.296 9.318 1.00 0.00 H new ATOM 0 HA THR A 100 -8.282 0.582 12.013 1.00 0.00 H new ATOM 0 HB THR A 100 -9.782 2.262 12.958 1.00 0.00 H new ATOM 0 HG1 THR A 100 -11.057 3.566 11.673 1.00 0.00 H new ATOM 0 HG21 THR A 100 -8.644 4.317 12.209 1.00 0.00 H new ATOM 0 HG22 THR A 100 -7.498 2.974 12.429 1.00 0.00 H new ATOM 0 HG23 THR A 100 -8.011 3.446 10.792 1.00 0.00 H new ATOM 1489 N ARG A 101 -10.898 -0.043 12.618 1.00 0.00 N ATOM 1490 CA ARG A 101 -12.061 -0.901 12.807 1.00 0.00 C ATOM 1491 C ARG A 101 -13.331 -0.210 12.319 1.00 0.00 C ATOM 1492 O ARG A 101 -14.442 -0.633 12.637 1.00 0.00 O ATOM 1493 CB ARG A 101 -12.209 -1.280 14.282 1.00 0.00 C ATOM 1494 CG ARG A 101 -11.426 -2.523 14.672 1.00 0.00 C ATOM 1495 CD ARG A 101 -12.205 -3.792 14.362 1.00 0.00 C ATOM 1496 NE ARG A 101 -13.385 -3.931 15.212 1.00 0.00 N ATOM 1497 CZ ARG A 101 -14.452 -4.648 14.876 1.00 0.00 C ATOM 1498 NH1 ARG A 101 -14.487 -5.287 13.715 1.00 0.00 N ATOM 1499 NH2 ARG A 101 -15.487 -4.727 15.703 1.00 0.00 N ATOM 0 H ARG A 101 -10.611 0.468 13.453 1.00 0.00 H new ATOM 0 HA ARG A 101 -11.911 -1.807 12.220 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -11.878 -0.444 14.898 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -13.264 -1.441 14.503 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -10.476 -2.538 14.138 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -11.193 -2.489 15.736 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -12.511 -3.783 13.316 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -11.557 -4.658 14.497 1.00 0.00 H new ATOM 0 HE ARG A 101 -13.390 -3.452 16.112 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -13.693 -5.229 13.077 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -15.308 -5.837 13.460 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -15.464 -4.237 16.597 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -16.306 -5.278 15.444 1.00 0.00 H new ATOM 1513 N GLY A 102 -13.158 0.857 11.544 1.00 0.00 N ATOM 1514 CA GLY A 102 -14.298 1.590 11.026 1.00 0.00 C ATOM 1515 C GLY A 102 -14.354 1.579 9.511 1.00 0.00 C ATOM 1516 O GLY A 102 -15.391 1.275 8.923 1.00 0.00 O ATOM 0 H GLY A 102 -12.249 1.226 11.266 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -15.216 1.157 11.424 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -14.254 2.621 11.377 1.00 0.00 H new ATOM 1520 N GLY A 103 -13.234 1.914 8.876 1.00 0.00 N ATOM 1521 CA GLY A 103 -13.182 1.937 7.426 1.00 0.00 C ATOM 1522 C GLY A 103 -11.812 2.318 6.901 1.00 0.00 C ATOM 1523 O GLY A 103 -10.970 2.818 7.648 1.00 0.00 O ATOM 0 H GLY A 103 -12.362 2.170 9.340 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -13.455 0.955 7.040 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -13.921 2.644 7.050 1.00 0.00 H new ATOM 1527 N VAL A 104 -11.586 2.081 5.613 1.00 0.00 N ATOM 1528 CA VAL A 104 -10.309 2.403 4.989 1.00 0.00 C ATOM 1529 C VAL A 104 -10.204 3.894 4.688 1.00 0.00 C ATOM 1530 O VAL A 104 -11.105 4.482 4.093 1.00 0.00 O ATOM 1531 CB VAL A 104 -10.107 1.611 3.683 1.00 0.00 C ATOM 1532 CG1 VAL A 104 -11.168 1.988 2.661 1.00 0.00 C ATOM 1533 CG2 VAL A 104 -8.711 1.848 3.127 1.00 0.00 C ATOM 0 H VAL A 104 -12.271 1.667 4.981 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.531 2.123 5.699 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.210 0.548 3.903 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -11.009 1.419 1.745 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -12.156 1.762 3.062 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -11.100 3.054 2.442 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -8.586 1.281 2.205 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -8.577 2.910 2.921 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -7.969 1.523 3.856 1.00 0.00 H new ATOM 1543 N GLY A 105 -9.096 4.499 5.104 1.00 0.00 N ATOM 1544 CA GLY A 105 -8.893 5.917 4.869 1.00 0.00 C ATOM 1545 C GLY A 105 -8.211 6.194 3.544 1.00 0.00 C ATOM 1546 O GLY A 105 -7.853 5.278 2.803 1.00 0.00 O ATOM 0 H GLY A 105 -8.336 4.033 5.599 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -9.856 6.427 4.892 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -8.292 6.334 5.677 1.00 0.00 H new ATOM 1550 N PRO A 106 -8.025 7.484 3.228 1.00 0.00 N ATOM 1551 CA PRO A 106 -7.382 7.909 1.981 1.00 0.00 C ATOM 1552 C PRO A 106 -5.892 7.586 1.958 1.00 0.00 C ATOM 1553 O PRO A 106 -5.201 7.724 2.968 1.00 0.00 O ATOM 1554 CB PRO A 106 -7.601 9.423 1.967 1.00 0.00 C ATOM 1555 CG PRO A 106 -7.754 9.798 3.401 1.00 0.00 C ATOM 1556 CD PRO A 106 -8.426 8.627 4.064 1.00 0.00 C ATOM 0 HA PRO A 106 -7.797 7.397 1.113 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -6.757 9.941 1.510 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -8.488 9.689 1.392 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -6.785 10.002 3.857 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -8.353 10.703 3.506 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -8.096 8.506 5.096 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -9.509 8.746 4.088 1.00 0.00 H new ATOM 1564 N PHE A 107 -5.402 7.156 0.800 1.00 0.00 N ATOM 1565 CA PHE A 107 -3.993 6.814 0.646 1.00 0.00 C ATOM 1566 C PHE A 107 -3.135 8.071 0.545 1.00 0.00 C ATOM 1567 O PHE A 107 -3.630 9.149 0.214 1.00 0.00 O ATOM 1568 CB PHE A 107 -3.791 5.944 -0.597 1.00 0.00 C ATOM 1569 CG PHE A 107 -4.338 4.553 -0.451 1.00 0.00 C ATOM 1570 CD1 PHE A 107 -5.698 4.342 -0.294 1.00 0.00 C ATOM 1571 CD2 PHE A 107 -3.491 3.456 -0.470 1.00 0.00 C ATOM 1572 CE1 PHE A 107 -6.204 3.063 -0.159 1.00 0.00 C ATOM 1573 CE2 PHE A 107 -3.991 2.174 -0.335 1.00 0.00 C ATOM 1574 CZ PHE A 107 -5.350 1.978 -0.180 1.00 0.00 C ATOM 0 H PHE A 107 -5.960 7.036 -0.045 1.00 0.00 H new ATOM 0 HA PHE A 107 -3.683 6.254 1.528 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -4.269 6.426 -1.450 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -2.726 5.885 -0.820 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -6.371 5.187 -0.277 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -2.428 3.604 -0.592 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -7.266 2.912 -0.037 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -3.321 1.327 -0.351 1.00 0.00 H new ATOM 0 HZ PHE A 107 -5.744 0.978 -0.075 1.00 0.00 H new ATOM 1584 N SER A 108 -1.846 7.926 0.834 1.00 0.00 N ATOM 1585 CA SER A 108 -0.919 9.050 0.781 1.00 0.00 C ATOM 1586 C SER A 108 -0.599 9.423 -0.664 1.00 0.00 C ATOM 1587 O SER A 108 -1.166 8.861 -1.601 1.00 0.00 O ATOM 1588 CB SER A 108 0.372 8.711 1.530 1.00 0.00 C ATOM 1589 OG SER A 108 1.019 7.592 0.949 1.00 0.00 O ATOM 0 H SER A 108 -1.420 7.041 1.107 1.00 0.00 H new ATOM 0 HA SER A 108 -1.396 9.904 1.262 1.00 0.00 H new ATOM 0 HB2 SER A 108 1.042 9.571 1.515 1.00 0.00 H new ATOM 0 HB3 SER A 108 0.146 8.502 2.576 1.00 0.00 H new ATOM 0 HG SER A 108 1.240 6.942 1.649 1.00 0.00 H new ATOM 1595 N ASP A 109 0.313 10.374 -0.835 1.00 0.00 N ATOM 1596 CA ASP A 109 0.710 10.822 -2.164 1.00 0.00 C ATOM 1597 C ASP A 109 1.295 9.669 -2.974 1.00 0.00 C ATOM 1598 O ASP A 109 2.047 8.839 -2.464 1.00 0.00 O ATOM 1599 CB ASP A 109 1.730 11.957 -2.059 1.00 0.00 C ATOM 1600 CG ASP A 109 2.574 12.095 -3.312 1.00 0.00 C ATOM 1601 OD1 ASP A 109 3.550 11.330 -3.456 1.00 0.00 O ATOM 1602 OD2 ASP A 109 2.257 12.968 -4.147 1.00 0.00 O ATOM 0 H ASP A 109 0.791 10.849 -0.069 1.00 0.00 H new ATOM 0 HA ASP A 109 -0.179 11.189 -2.678 1.00 0.00 H new ATOM 0 HB2 ASP A 109 1.207 12.895 -1.871 1.00 0.00 H new ATOM 0 HB3 ASP A 109 2.381 11.778 -1.204 1.00 0.00 H new ATOM 1607 N PRO A 110 0.941 9.614 -4.267 1.00 0.00 N ATOM 1608 CA PRO A 110 1.418 8.567 -5.175 1.00 0.00 C ATOM 1609 C PRO A 110 2.905 8.704 -5.486 1.00 0.00 C ATOM 1610 O PRO A 110 3.376 9.780 -5.852 1.00 0.00 O ATOM 1611 CB PRO A 110 0.584 8.786 -6.439 1.00 0.00 C ATOM 1612 CG PRO A 110 0.204 10.226 -6.397 1.00 0.00 C ATOM 1613 CD PRO A 110 0.047 10.570 -4.942 1.00 0.00 C ATOM 0 HA PRO A 110 1.308 7.572 -4.744 1.00 0.00 H new ATOM 0 HB2 PRO A 110 1.157 8.554 -7.337 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -0.297 8.144 -6.448 1.00 0.00 H new ATOM 0 HG2 PRO A 110 0.970 10.845 -6.864 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -0.724 10.401 -6.942 1.00 0.00 H new ATOM 0 HD2 PRO A 110 0.335 11.602 -4.740 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -0.985 10.457 -4.611 1.00 0.00 H new ATOM 1621 N VAL A 111 3.639 7.605 -5.339 1.00 0.00 N ATOM 1622 CA VAL A 111 5.072 7.602 -5.607 1.00 0.00 C ATOM 1623 C VAL A 111 5.396 6.793 -6.858 1.00 0.00 C ATOM 1624 O VAL A 111 5.234 5.573 -6.881 1.00 0.00 O ATOM 1625 CB VAL A 111 5.864 7.027 -4.417 1.00 0.00 C ATOM 1626 CG1 VAL A 111 7.233 6.544 -4.871 1.00 0.00 C ATOM 1627 CG2 VAL A 111 5.994 8.065 -3.313 1.00 0.00 C ATOM 0 H VAL A 111 3.265 6.706 -5.036 1.00 0.00 H new ATOM 0 HA VAL A 111 5.367 8.640 -5.763 1.00 0.00 H new ATOM 0 HB VAL A 111 5.318 6.172 -4.018 1.00 0.00 H new ATOM 0 HG11 VAL A 111 7.778 6.141 -4.017 1.00 0.00 H new ATOM 0 HG12 VAL A 111 7.113 5.766 -5.625 1.00 0.00 H new ATOM 0 HG13 VAL A 111 7.790 7.378 -5.297 1.00 0.00 H new ATOM 0 HG21 VAL A 111 6.556 7.642 -2.480 1.00 0.00 H new ATOM 0 HG22 VAL A 111 6.518 8.941 -3.697 1.00 0.00 H new ATOM 0 HG23 VAL A 111 5.002 8.357 -2.970 1.00 0.00 H new ATOM 1637 N LYS A 112 5.856 7.481 -7.897 1.00 0.00 N ATOM 1638 CA LYS A 112 6.205 6.827 -9.153 1.00 0.00 C ATOM 1639 C LYS A 112 7.690 6.479 -9.190 1.00 0.00 C ATOM 1640 O LYS A 112 8.540 7.360 -9.325 1.00 0.00 O ATOM 1641 CB LYS A 112 5.853 7.731 -10.337 1.00 0.00 C ATOM 1642 CG LYS A 112 6.336 7.197 -11.674 1.00 0.00 C ATOM 1643 CD LYS A 112 6.101 8.199 -12.793 1.00 0.00 C ATOM 1644 CE LYS A 112 5.982 7.509 -14.143 1.00 0.00 C ATOM 1645 NZ LYS A 112 5.295 8.369 -15.146 1.00 0.00 N ATOM 0 H LYS A 112 5.996 8.491 -7.894 1.00 0.00 H new ATOM 0 HA LYS A 112 5.631 5.903 -9.225 1.00 0.00 H new ATOM 0 HB2 LYS A 112 4.771 7.860 -10.376 1.00 0.00 H new ATOM 0 HB3 LYS A 112 6.286 8.718 -10.171 1.00 0.00 H new ATOM 0 HG2 LYS A 112 7.399 6.963 -11.611 1.00 0.00 H new ATOM 0 HG3 LYS A 112 5.818 6.266 -11.903 1.00 0.00 H new ATOM 0 HD2 LYS A 112 5.192 8.765 -12.591 1.00 0.00 H new ATOM 0 HD3 LYS A 112 6.922 8.915 -12.820 1.00 0.00 H new ATOM 0 HE2 LYS A 112 6.976 7.249 -14.507 1.00 0.00 H new ATOM 0 HE3 LYS A 112 5.431 6.576 -14.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 5.233 7.863 -16.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 4.337 8.596 -14.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 5.834 9.249 -15.276 1.00 0.00 H new ATOM 1659 N ILE A 113 7.994 5.191 -9.073 1.00 0.00 N ATOM 1660 CA ILE A 113 9.376 4.727 -9.096 1.00 0.00 C ATOM 1661 C ILE A 113 9.662 3.916 -10.355 1.00 0.00 C ATOM 1662 O ILE A 113 8.951 2.960 -10.665 1.00 0.00 O ATOM 1663 CB ILE A 113 9.702 3.869 -7.860 1.00 0.00 C ATOM 1664 CG1 ILE A 113 11.008 3.100 -8.076 1.00 0.00 C ATOM 1665 CG2 ILE A 113 8.559 2.909 -7.564 1.00 0.00 C ATOM 1666 CD1 ILE A 113 11.750 2.798 -6.793 1.00 0.00 C ATOM 0 H ILE A 113 7.302 4.450 -8.961 1.00 0.00 H new ATOM 0 HA ILE A 113 10.008 5.615 -9.088 1.00 0.00 H new ATOM 0 HB ILE A 113 9.828 4.529 -7.001 1.00 0.00 H new ATOM 0 HG12 ILE A 113 10.788 2.163 -8.588 1.00 0.00 H new ATOM 0 HG13 ILE A 113 11.657 3.679 -8.734 1.00 0.00 H new ATOM 0 HG21 ILE A 113 8.805 2.310 -6.687 1.00 0.00 H new ATOM 0 HG22 ILE A 113 7.648 3.476 -7.372 1.00 0.00 H new ATOM 0 HG23 ILE A 113 8.404 2.253 -8.420 1.00 0.00 H new ATOM 0 HD11 ILE A 113 12.665 2.252 -7.022 1.00 0.00 H new ATOM 0 HD12 ILE A 113 12.001 3.732 -6.289 1.00 0.00 H new ATOM 0 HD13 ILE A 113 11.119 2.193 -6.142 1.00 0.00 H new ATOM 1678 N PHE A 114 10.710 4.302 -11.075 1.00 0.00 N ATOM 1679 CA PHE A 114 11.092 3.610 -12.301 1.00 0.00 C ATOM 1680 C PHE A 114 11.837 2.316 -11.985 1.00 0.00 C ATOM 1681 O PHE A 114 12.911 2.338 -11.382 1.00 0.00 O ATOM 1682 CB PHE A 114 11.965 4.515 -13.172 1.00 0.00 C ATOM 1683 CG PHE A 114 12.795 3.764 -14.174 1.00 0.00 C ATOM 1684 CD1 PHE A 114 14.003 3.194 -13.805 1.00 0.00 C ATOM 1685 CD2 PHE A 114 12.367 3.629 -15.484 1.00 0.00 C ATOM 1686 CE1 PHE A 114 14.768 2.502 -14.724 1.00 0.00 C ATOM 1687 CE2 PHE A 114 13.128 2.937 -16.408 1.00 0.00 C ATOM 1688 CZ PHE A 114 14.330 2.374 -16.028 1.00 0.00 C ATOM 0 H PHE A 114 11.310 5.090 -10.831 1.00 0.00 H new ATOM 0 HA PHE A 114 10.182 3.361 -12.847 1.00 0.00 H new ATOM 0 HB2 PHE A 114 11.327 5.224 -13.699 1.00 0.00 H new ATOM 0 HB3 PHE A 114 12.625 5.098 -12.529 1.00 0.00 H new ATOM 0 HD1 PHE A 114 14.350 3.292 -12.787 1.00 0.00 H new ATOM 0 HD2 PHE A 114 11.429 4.069 -15.787 1.00 0.00 H new ATOM 0 HE1 PHE A 114 15.707 2.062 -14.423 1.00 0.00 H new ATOM 0 HE2 PHE A 114 12.782 2.837 -17.426 1.00 0.00 H new ATOM 0 HZ PHE A 114 14.927 1.835 -16.749 1.00 0.00 H new ATOM 1698 N ILE A 115 11.259 1.193 -12.395 1.00 0.00 N ATOM 1699 CA ILE A 115 11.868 -0.110 -12.157 1.00 0.00 C ATOM 1700 C ILE A 115 12.935 -0.418 -13.202 1.00 0.00 C ATOM 1701 O ILE A 115 12.644 -0.623 -14.381 1.00 0.00 O ATOM 1702 CB ILE A 115 10.815 -1.234 -12.168 1.00 0.00 C ATOM 1703 CG1 ILE A 115 9.574 -0.807 -11.383 1.00 0.00 C ATOM 1704 CG2 ILE A 115 11.401 -2.514 -11.590 1.00 0.00 C ATOM 1705 CD1 ILE A 115 9.806 -0.710 -9.891 1.00 0.00 C ATOM 0 H ILE A 115 10.370 1.159 -12.894 1.00 0.00 H new ATOM 0 HA ILE A 115 12.331 -0.066 -11.171 1.00 0.00 H new ATOM 0 HB ILE A 115 10.520 -1.426 -13.200 1.00 0.00 H new ATOM 0 HG12 ILE A 115 9.235 0.160 -11.753 1.00 0.00 H new ATOM 0 HG13 ILE A 115 8.771 -1.520 -11.572 1.00 0.00 H new ATOM 0 HG21 ILE A 115 10.645 -3.299 -11.604 1.00 0.00 H new ATOM 0 HG22 ILE A 115 12.258 -2.824 -12.188 1.00 0.00 H new ATOM 0 HG23 ILE A 115 11.720 -2.337 -10.563 1.00 0.00 H new ATOM 0 HD11 ILE A 115 8.884 -0.402 -9.399 1.00 0.00 H new ATOM 0 HD12 ILE A 115 10.116 -1.682 -9.507 1.00 0.00 H new ATOM 0 HD13 ILE A 115 10.586 0.024 -9.691 1.00 0.00 H new ATOM 1717 N PRO A 116 14.202 -0.452 -12.762 1.00 0.00 N ATOM 1718 CA PRO A 116 15.338 -0.737 -13.644 1.00 0.00 C ATOM 1719 C PRO A 116 15.358 -2.187 -14.114 1.00 0.00 C ATOM 1720 O PRO A 116 15.366 -3.112 -13.302 1.00 0.00 O ATOM 1721 CB PRO A 116 16.554 -0.444 -12.761 1.00 0.00 C ATOM 1722 CG PRO A 116 16.065 -0.639 -11.367 1.00 0.00 C ATOM 1723 CD PRO A 116 14.622 -0.217 -11.371 1.00 0.00 C ATOM 0 HA PRO A 116 15.304 -0.143 -14.557 1.00 0.00 H new ATOM 0 HB2 PRO A 116 17.380 -1.118 -12.989 1.00 0.00 H new ATOM 0 HB3 PRO A 116 16.919 0.572 -12.914 1.00 0.00 H new ATOM 0 HG2 PRO A 116 16.166 -1.680 -11.060 1.00 0.00 H new ATOM 0 HG3 PRO A 116 16.644 -0.041 -10.663 1.00 0.00 H new ATOM 0 HD2 PRO A 116 14.030 -0.803 -10.668 1.00 0.00 H new ATOM 0 HD3 PRO A 116 14.509 0.830 -11.088 1.00 0.00 H new ATOM 1731 N ALA A 117 15.367 -2.378 -15.429 1.00 0.00 N ATOM 1732 CA ALA A 117 15.389 -3.716 -16.006 1.00 0.00 C ATOM 1733 C ALA A 117 16.348 -4.626 -15.247 1.00 0.00 C ATOM 1734 O ALA A 117 17.184 -4.157 -14.473 1.00 0.00 O ATOM 1735 CB ALA A 117 15.774 -3.650 -17.477 1.00 0.00 C ATOM 0 H ALA A 117 15.359 -1.623 -16.115 1.00 0.00 H new ATOM 0 HA ALA A 117 14.387 -4.137 -15.922 1.00 0.00 H new ATOM 0 HB1 ALA A 117 15.787 -4.656 -17.895 1.00 0.00 H new ATOM 0 HB2 ALA A 117 15.048 -3.042 -18.016 1.00 0.00 H new ATOM 0 HB3 ALA A 117 16.764 -3.204 -17.574 1.00 0.00 H new