USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 656 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 72 GLN : amide:sc= 0.316 K(o=-0.055,f=-0.87) USER MOD Set 1.2: A 87 THR OG1 : rot -119:sc= -0.372 USER MOD Set 2.1: A 70 GLN : amide:sc= 0.59 K(o=1.4,f=-3.1) USER MOD Set 2.2: A 91 LYS NZ :NH3+ -168:sc= 0.772 (180deg=0) USER MOD Set 3.1: A 69 TYR OH : rot 169:sc= -1.7! USER MOD Set 3.2: A 100 GLN : amide:sc= -0.281 K(o=-2,f=-8.1!) USER MOD Set 4.1: A 48 MET CE :methyl -153:sc= 0 (180deg=-0.581) USER MOD Set 4.2: A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.0717 K(o=-0.072,f=-0.79) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -173:sc= 0.385 USER MOD Single : A 27 SER OG : rot 180:sc= 0.301 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 98:sc= 0.202 USER MOD Single : A 44 CYS SG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 151:sc= 1.18 (180deg=0.822) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.249 K(o=-0.25,f=-0.91) USER MOD Single : A 54 LYS NZ :NH3+ 158:sc= -0.125 (180deg=-0.605) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN :FLIP amide:sc= 0 F(o=-0.79,f=0) USER MOD Single : A 81 THR OG1 : rot 180:sc=-0.00488 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 88:sc= 1.27 USER MOD Single : A 89 SER OG : rot 35:sc= 1.26 USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 ASN : amide:sc= -0.0457 K(o=-0.046,f=-1.6!) USER MOD Single : A 101 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0139) USER MOD Single : A 102 THR OG1 : rot 41:sc= 0.767 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 170:sc=-0.000312 (180deg=-0.103) USER MOD ----------------------------------------------------------------- ATOM 257 N GLY A 16 -38.880 14.638 10.647 1.00 0.00 N ATOM 258 CA GLY A 16 -37.547 15.137 10.866 1.00 0.00 C ATOM 259 C GLY A 16 -36.943 15.642 9.577 1.00 0.00 C ATOM 260 O GLY A 16 -37.347 15.218 8.495 1.00 0.00 O ATOM 0 HA2 GLY A 16 -37.572 15.942 11.601 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -36.922 14.346 11.280 1.00 0.00 H new ATOM 264 N GLU A 17 -35.996 16.549 9.684 1.00 0.00 N ATOM 265 CA GLU A 17 -35.344 17.129 8.528 1.00 0.00 C ATOM 266 C GLU A 17 -34.164 16.303 8.063 1.00 0.00 C ATOM 267 O GLU A 17 -33.720 15.383 8.756 1.00 0.00 O ATOM 268 CB GLU A 17 -34.878 18.560 8.801 1.00 0.00 C ATOM 269 CG GLU A 17 -34.244 18.797 10.173 1.00 0.00 C ATOM 270 CD GLU A 17 -35.263 18.895 11.294 1.00 0.00 C ATOM 271 OE1 GLU A 17 -35.886 19.962 11.447 1.00 0.00 O ATOM 272 OE2 GLU A 17 -35.439 17.903 12.030 1.00 0.00 O ATOM 0 H GLU A 17 -35.655 16.906 10.577 1.00 0.00 H new ATOM 0 HA GLU A 17 -36.094 17.142 7.737 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -34.157 18.841 8.034 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -35.733 19.228 8.695 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -33.551 17.985 10.391 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -33.658 19.716 10.142 1.00 0.00 H new ATOM 279 N TRP A 18 -33.693 16.623 6.861 1.00 0.00 N ATOM 280 CA TRP A 18 -32.531 16.009 6.277 1.00 0.00 C ATOM 281 C TRP A 18 -31.336 16.017 7.219 1.00 0.00 C ATOM 282 O TRP A 18 -30.882 17.076 7.671 1.00 0.00 O ATOM 283 CB TRP A 18 -32.165 16.755 5.013 1.00 0.00 C ATOM 284 CG TRP A 18 -33.063 16.451 3.878 1.00 0.00 C ATOM 285 CD1 TRP A 18 -34.010 17.260 3.352 1.00 0.00 C ATOM 286 CD2 TRP A 18 -33.105 15.240 3.139 1.00 0.00 C ATOM 287 NE1 TRP A 18 -34.648 16.627 2.330 1.00 0.00 N ATOM 288 CE2 TRP A 18 -34.106 15.377 2.172 1.00 0.00 C ATOM 289 CE3 TRP A 18 -32.386 14.057 3.209 1.00 0.00 C ATOM 290 CZ2 TRP A 18 -34.412 14.359 1.267 1.00 0.00 C ATOM 291 CZ3 TRP A 18 -32.681 13.043 2.320 1.00 0.00 C ATOM 292 CH2 TRP A 18 -33.684 13.197 1.357 1.00 0.00 C ATOM 0 H TRP A 18 -34.124 17.330 6.265 1.00 0.00 H new ATOM 0 HA TRP A 18 -32.778 14.969 6.064 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -32.190 17.827 5.211 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -31.141 16.506 4.735 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -34.228 18.261 3.693 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -35.407 17.019 1.772 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -31.608 13.931 3.947 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -35.189 14.480 0.527 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -32.129 12.116 2.369 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -33.890 12.388 0.672 1.00 0.00 H new ATOM 303 N GLN A 19 -30.834 14.838 7.499 1.00 0.00 N ATOM 304 CA GLN A 19 -29.664 14.673 8.316 1.00 0.00 C ATOM 305 C GLN A 19 -28.500 14.360 7.418 1.00 0.00 C ATOM 306 O GLN A 19 -28.620 13.553 6.489 1.00 0.00 O ATOM 307 CB GLN A 19 -29.863 13.557 9.336 1.00 0.00 C ATOM 308 CG GLN A 19 -31.066 13.767 10.231 1.00 0.00 C ATOM 309 CD GLN A 19 -31.024 15.091 10.970 1.00 0.00 C ATOM 310 OE1 GLN A 19 -29.955 15.603 11.313 1.00 0.00 O ATOM 311 NE2 GLN A 19 -32.178 15.664 11.205 1.00 0.00 N ATOM 0 H GLN A 19 -31.232 13.962 7.162 1.00 0.00 H new ATOM 0 HA GLN A 19 -29.474 15.592 8.870 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -29.973 12.609 8.809 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -28.969 13.477 9.954 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -31.974 13.721 9.629 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -31.121 12.954 10.955 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -33.042 15.211 10.907 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -32.213 16.563 11.686 1.00 0.00 H new ATOM 320 N TRP A 20 -27.385 14.977 7.683 1.00 0.00 N ATOM 321 CA TRP A 20 -26.242 14.823 6.824 1.00 0.00 C ATOM 322 C TRP A 20 -25.047 14.264 7.552 1.00 0.00 C ATOM 323 O TRP A 20 -24.672 14.728 8.635 1.00 0.00 O ATOM 324 CB TRP A 20 -25.898 16.136 6.126 1.00 0.00 C ATOM 325 CG TRP A 20 -26.926 16.543 5.127 1.00 0.00 C ATOM 326 CD1 TRP A 20 -27.906 17.452 5.309 1.00 0.00 C ATOM 327 CD2 TRP A 20 -27.083 16.038 3.794 1.00 0.00 C ATOM 328 NE1 TRP A 20 -28.674 17.559 4.174 1.00 0.00 N ATOM 329 CE2 TRP A 20 -28.188 16.699 3.229 1.00 0.00 C ATOM 330 CE3 TRP A 20 -26.396 15.094 3.026 1.00 0.00 C ATOM 331 CZ2 TRP A 20 -28.624 16.448 1.930 1.00 0.00 C ATOM 332 CZ3 TRP A 20 -26.830 14.846 1.737 1.00 0.00 C ATOM 333 CH2 TRP A 20 -27.933 15.520 1.202 1.00 0.00 C ATOM 0 H TRP A 20 -27.241 15.591 8.485 1.00 0.00 H new ATOM 0 HA TRP A 20 -26.516 14.093 6.062 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -25.792 16.923 6.873 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -24.933 16.036 5.628 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -28.065 18.015 6.217 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -29.475 18.179 4.056 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -25.544 14.569 3.431 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -29.475 16.967 1.514 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -26.308 14.119 1.132 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -28.246 15.302 0.191 1.00 0.00 H new ATOM 344 N SER A 21 -24.468 13.257 6.951 1.00 0.00 N ATOM 345 CA SER A 21 -23.284 12.620 7.452 1.00 0.00 C ATOM 346 C SER A 21 -22.085 13.262 6.770 1.00 0.00 C ATOM 347 O SER A 21 -22.255 14.057 5.833 1.00 0.00 O ATOM 348 CB SER A 21 -23.334 11.110 7.159 1.00 0.00 C ATOM 349 OG SER A 21 -22.313 10.407 7.853 1.00 0.00 O ATOM 0 H SER A 21 -24.816 12.851 6.082 1.00 0.00 H new ATOM 0 HA SER A 21 -23.208 12.746 8.532 1.00 0.00 H new ATOM 0 HB2 SER A 21 -24.308 10.715 7.447 1.00 0.00 H new ATOM 0 HB3 SER A 21 -23.227 10.943 6.087 1.00 0.00 H new ATOM 0 HG SER A 21 -22.375 9.451 7.646 1.00 0.00 H new ATOM 355 N VAL A 22 -20.897 12.939 7.205 1.00 0.00 N ATOM 356 CA VAL A 22 -19.724 13.541 6.620 1.00 0.00 C ATOM 357 C VAL A 22 -19.206 12.678 5.495 1.00 0.00 C ATOM 358 O VAL A 22 -19.284 11.449 5.549 1.00 0.00 O ATOM 359 CB VAL A 22 -18.604 13.784 7.658 1.00 0.00 C ATOM 360 CG1 VAL A 22 -19.046 14.811 8.684 1.00 0.00 C ATOM 361 CG2 VAL A 22 -18.199 12.485 8.341 1.00 0.00 C ATOM 0 H VAL A 22 -20.714 12.271 7.953 1.00 0.00 H new ATOM 0 HA VAL A 22 -20.022 14.515 6.232 1.00 0.00 H new ATOM 0 HB VAL A 22 -17.732 14.172 7.131 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -18.246 14.970 9.407 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -19.274 15.751 8.182 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -19.935 14.450 9.200 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -17.410 12.686 9.066 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -19.062 12.059 8.853 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -17.835 11.779 7.594 1.00 0.00 H new ATOM 371 N CYS A 23 -18.732 13.330 4.463 1.00 0.00 N ATOM 372 CA CYS A 23 -18.265 12.656 3.281 1.00 0.00 C ATOM 373 C CYS A 23 -17.023 11.834 3.568 1.00 0.00 C ATOM 374 O CYS A 23 -16.073 12.310 4.194 1.00 0.00 O ATOM 375 CB CYS A 23 -17.989 13.668 2.166 1.00 0.00 C ATOM 376 SG CYS A 23 -17.570 12.916 0.558 1.00 0.00 S ATOM 0 H CYS A 23 -18.660 14.347 4.420 1.00 0.00 H new ATOM 0 HA CYS A 23 -19.049 11.973 2.953 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -18.867 14.301 2.040 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -17.170 14.317 2.475 1.00 0.00 H new ATOM 381 N VAL A 24 -17.042 10.608 3.105 1.00 0.00 N ATOM 382 CA VAL A 24 -15.918 9.722 3.258 1.00 0.00 C ATOM 383 C VAL A 24 -15.050 9.835 2.024 1.00 0.00 C ATOM 384 O VAL A 24 -15.494 9.516 0.925 1.00 0.00 O ATOM 385 CB VAL A 24 -16.377 8.251 3.431 1.00 0.00 C ATOM 386 CG1 VAL A 24 -15.182 7.323 3.604 1.00 0.00 C ATOM 387 CG2 VAL A 24 -17.330 8.124 4.612 1.00 0.00 C ATOM 0 H VAL A 24 -17.836 10.199 2.613 1.00 0.00 H new ATOM 0 HA VAL A 24 -15.363 10.007 4.152 1.00 0.00 H new ATOM 0 HB VAL A 24 -16.906 7.953 2.526 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -15.532 6.298 3.723 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -14.541 7.388 2.725 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -14.617 7.619 4.488 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -17.642 7.085 4.718 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -16.826 8.446 5.523 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -18.206 8.750 4.442 1.00 0.00 H new ATOM 397 N PRO A 25 -13.796 10.315 2.194 1.00 0.00 N ATOM 398 CA PRO A 25 -12.870 10.566 1.075 1.00 0.00 C ATOM 399 C PRO A 25 -12.606 9.330 0.229 1.00 0.00 C ATOM 400 O PRO A 25 -12.191 9.443 -0.922 1.00 0.00 O ATOM 401 CB PRO A 25 -11.575 11.030 1.765 1.00 0.00 C ATOM 402 CG PRO A 25 -11.714 10.602 3.187 1.00 0.00 C ATOM 403 CD PRO A 25 -13.182 10.645 3.491 1.00 0.00 C ATOM 0 HA PRO A 25 -13.284 11.295 0.378 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -10.698 10.578 1.302 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -11.454 12.111 1.689 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -11.315 9.598 3.333 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -11.159 11.265 3.850 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -13.456 9.925 4.263 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -13.492 11.627 3.847 1.00 0.00 H new ATOM 411 N THR A 26 -12.794 8.156 0.831 1.00 0.00 N ATOM 412 CA THR A 26 -12.629 6.875 0.153 1.00 0.00 C ATOM 413 C THR A 26 -11.166 6.452 0.129 1.00 0.00 C ATOM 414 O THR A 26 -10.847 5.280 0.344 1.00 0.00 O ATOM 415 CB THR A 26 -13.214 6.874 -1.278 1.00 0.00 C ATOM 416 OG1 THR A 26 -14.636 7.033 -1.216 1.00 0.00 O ATOM 417 CG2 THR A 26 -12.875 5.578 -1.982 1.00 0.00 C ATOM 0 H THR A 26 -13.067 8.069 1.810 1.00 0.00 H new ATOM 0 HA THR A 26 -13.198 6.147 0.731 1.00 0.00 H new ATOM 0 HB THR A 26 -12.780 7.702 -1.838 1.00 0.00 H new ATOM 0 HG1 THR A 26 -15.017 6.922 -2.112 1.00 0.00 H new ATOM 0 HG21 THR A 26 -13.293 5.591 -2.989 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.792 5.468 -2.040 1.00 0.00 H new ATOM 0 HG23 THR A 26 -13.295 4.741 -1.425 1.00 0.00 H new ATOM 425 N SER A 27 -10.288 7.415 -0.138 1.00 0.00 N ATOM 426 CA SER A 27 -8.856 7.195 -0.105 1.00 0.00 C ATOM 427 C SER A 27 -8.389 6.311 -1.272 1.00 0.00 C ATOM 428 O SER A 27 -8.963 6.345 -2.364 1.00 0.00 O ATOM 429 CB SER A 27 -8.468 6.580 1.244 1.00 0.00 C ATOM 430 OG SER A 27 -7.073 6.680 1.484 1.00 0.00 O ATOM 0 H SER A 27 -10.555 8.368 -0.383 1.00 0.00 H new ATOM 0 HA SER A 27 -8.354 8.156 -0.219 1.00 0.00 H new ATOM 0 HB2 SER A 27 -9.012 7.083 2.043 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.767 5.532 1.266 1.00 0.00 H new ATOM 0 HG SER A 27 -6.861 6.280 2.353 1.00 0.00 H new ATOM 436 N GLY A 28 -7.371 5.514 -1.012 1.00 0.00 N ATOM 437 CA GLY A 28 -6.772 4.690 -2.031 1.00 0.00 C ATOM 438 C GLY A 28 -6.140 5.532 -3.096 1.00 0.00 C ATOM 439 O GLY A 28 -6.424 5.357 -4.287 1.00 0.00 O ATOM 0 H GLY A 28 -6.941 5.423 -0.092 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.021 4.039 -1.583 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -7.530 4.044 -2.474 1.00 0.00 H new ATOM 443 N ASP A 29 -5.300 6.470 -2.654 1.00 0.00 N ATOM 444 CA ASP A 29 -4.606 7.427 -3.537 1.00 0.00 C ATOM 445 C ASP A 29 -5.572 8.483 -4.073 1.00 0.00 C ATOM 446 O ASP A 29 -5.382 9.676 -3.858 1.00 0.00 O ATOM 447 CB ASP A 29 -3.889 6.711 -4.693 1.00 0.00 C ATOM 448 CG ASP A 29 -3.296 7.677 -5.695 1.00 0.00 C ATOM 449 OD1 ASP A 29 -2.211 8.236 -5.424 1.00 0.00 O ATOM 450 OD2 ASP A 29 -3.904 7.880 -6.757 1.00 0.00 O ATOM 0 H ASP A 29 -5.076 6.593 -1.666 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.849 7.931 -2.937 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.097 6.080 -4.290 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.594 6.053 -5.201 1.00 0.00 H new ATOM 455 N CYS A 30 -6.607 8.021 -4.743 1.00 0.00 N ATOM 456 CA CYS A 30 -7.632 8.869 -5.322 1.00 0.00 C ATOM 457 C CYS A 30 -8.914 8.072 -5.459 1.00 0.00 C ATOM 458 O CYS A 30 -9.082 7.300 -6.411 1.00 0.00 O ATOM 459 CB CYS A 30 -7.209 9.409 -6.701 1.00 0.00 C ATOM 460 SG CYS A 30 -5.905 10.687 -6.663 1.00 0.00 S ATOM 0 H CYS A 30 -6.764 7.026 -4.904 1.00 0.00 H new ATOM 0 HA CYS A 30 -7.784 9.723 -4.662 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -6.861 8.575 -7.310 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -8.087 9.822 -7.198 1.00 0.00 H new ATOM 465 N GLY A 31 -9.791 8.219 -4.500 1.00 0.00 N ATOM 466 CA GLY A 31 -11.026 7.497 -4.524 1.00 0.00 C ATOM 467 C GLY A 31 -12.207 8.413 -4.523 1.00 0.00 C ATOM 468 O GLY A 31 -12.164 9.479 -3.912 1.00 0.00 O ATOM 0 H GLY A 31 -9.668 8.833 -3.695 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.059 6.863 -5.410 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.078 6.837 -3.658 1.00 0.00 H new ATOM 472 N LEU A 32 -13.263 8.017 -5.200 1.00 0.00 N ATOM 473 CA LEU A 32 -14.450 8.830 -5.253 1.00 0.00 C ATOM 474 C LEU A 32 -15.158 8.790 -3.911 1.00 0.00 C ATOM 475 O LEU A 32 -15.718 7.760 -3.521 1.00 0.00 O ATOM 476 CB LEU A 32 -15.385 8.344 -6.363 1.00 0.00 C ATOM 477 CG LEU A 32 -16.637 9.192 -6.605 1.00 0.00 C ATOM 478 CD1 LEU A 32 -16.258 10.566 -7.139 1.00 0.00 C ATOM 479 CD2 LEU A 32 -17.585 8.486 -7.561 1.00 0.00 C ATOM 0 H LEU A 32 -13.320 7.140 -5.718 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.164 9.858 -5.474 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.818 8.295 -7.293 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -15.699 7.327 -6.127 1.00 0.00 H new ATOM 0 HG LEU A 32 -17.150 9.326 -5.653 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -17.161 11.154 -7.305 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -15.622 11.075 -6.415 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -15.720 10.455 -8.080 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -18.468 9.104 -7.720 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -17.083 8.318 -8.514 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -17.884 7.528 -7.135 1.00 0.00 H new ATOM 491 N GLY A 33 -15.113 9.901 -3.207 1.00 0.00 N ATOM 492 CA GLY A 33 -15.747 9.989 -1.919 1.00 0.00 C ATOM 493 C GLY A 33 -17.247 9.996 -2.025 1.00 0.00 C ATOM 494 O GLY A 33 -17.796 10.395 -3.053 1.00 0.00 O ATOM 0 H GLY A 33 -14.642 10.754 -3.510 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.432 9.147 -1.302 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.416 10.896 -1.414 1.00 0.00 H new ATOM 498 N THR A 34 -17.918 9.574 -0.977 1.00 0.00 N ATOM 499 CA THR A 34 -19.362 9.538 -0.988 1.00 0.00 C ATOM 500 C THR A 34 -19.938 10.089 0.306 1.00 0.00 C ATOM 501 O THR A 34 -19.299 10.039 1.366 1.00 0.00 O ATOM 502 CB THR A 34 -19.892 8.101 -1.213 1.00 0.00 C ATOM 503 OG1 THR A 34 -19.207 7.184 -0.348 1.00 0.00 O ATOM 504 CG2 THR A 34 -19.712 7.667 -2.663 1.00 0.00 C ATOM 0 H THR A 34 -17.489 9.252 -0.110 1.00 0.00 H new ATOM 0 HA THR A 34 -19.686 10.167 -1.818 1.00 0.00 H new ATOM 0 HB THR A 34 -20.957 8.096 -0.982 1.00 0.00 H new ATOM 0 HG1 THR A 34 -19.549 6.278 -0.495 1.00 0.00 H new ATOM 0 HG21 THR A 34 -20.094 6.654 -2.790 1.00 0.00 H new ATOM 0 HG22 THR A 34 -20.260 8.346 -3.317 1.00 0.00 H new ATOM 0 HG23 THR A 34 -18.653 7.691 -2.921 1.00 0.00 H new ATOM 512 N ARG A 35 -21.134 10.623 0.209 1.00 0.00 N ATOM 513 CA ARG A 35 -21.834 11.185 1.332 1.00 0.00 C ATOM 514 C ARG A 35 -23.258 10.665 1.304 1.00 0.00 C ATOM 515 O ARG A 35 -23.798 10.399 0.230 1.00 0.00 O ATOM 516 CB ARG A 35 -21.829 12.711 1.233 1.00 0.00 C ATOM 517 CG ARG A 35 -22.267 13.426 2.500 1.00 0.00 C ATOM 518 CD ARG A 35 -22.340 14.930 2.285 1.00 0.00 C ATOM 519 NE ARG A 35 -21.137 15.447 1.622 1.00 0.00 N ATOM 520 CZ ARG A 35 -20.477 16.550 1.993 1.00 0.00 C ATOM 521 NH1 ARG A 35 -20.863 17.243 3.060 1.00 0.00 N ATOM 522 NH2 ARG A 35 -19.425 16.953 1.296 1.00 0.00 N ATOM 0 H ARG A 35 -21.652 10.678 -0.668 1.00 0.00 H new ATOM 0 HA ARG A 35 -21.349 10.900 2.266 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -20.824 13.042 0.973 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -22.485 13.012 0.416 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -23.242 13.053 2.813 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -21.567 13.205 3.306 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -23.217 15.169 1.683 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -22.468 15.428 3.246 1.00 0.00 H new ATOM 0 HE ARG A 35 -20.778 14.928 0.821 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -21.669 16.935 3.604 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -20.353 18.083 3.335 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -19.121 16.423 0.479 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -18.919 17.793 1.576 1.00 0.00 H new ATOM 536 N GLU A 36 -23.867 10.518 2.456 1.00 0.00 N ATOM 537 CA GLU A 36 -25.214 9.995 2.549 1.00 0.00 C ATOM 538 C GLU A 36 -26.081 10.885 3.415 1.00 0.00 C ATOM 539 O GLU A 36 -25.674 11.291 4.511 1.00 0.00 O ATOM 540 CB GLU A 36 -25.195 8.565 3.092 1.00 0.00 C ATOM 541 CG GLU A 36 -24.377 8.398 4.361 1.00 0.00 C ATOM 542 CD GLU A 36 -24.310 6.964 4.816 1.00 0.00 C ATOM 543 OE1 GLU A 36 -25.163 6.545 5.616 1.00 0.00 O ATOM 544 OE2 GLU A 36 -23.406 6.241 4.364 1.00 0.00 O ATOM 0 H GLU A 36 -23.447 10.756 3.354 1.00 0.00 H new ATOM 0 HA GLU A 36 -25.644 9.979 1.547 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -26.219 8.248 3.288 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -24.797 7.901 2.325 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -23.367 8.770 4.190 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -24.812 9.008 5.153 1.00 0.00 H new ATOM 551 N GLY A 37 -27.249 11.224 2.915 1.00 0.00 N ATOM 552 CA GLY A 37 -28.155 12.040 3.673 1.00 0.00 C ATOM 553 C GLY A 37 -29.476 11.324 3.833 1.00 0.00 C ATOM 554 O GLY A 37 -29.906 10.609 2.918 1.00 0.00 O ATOM 0 H GLY A 37 -27.587 10.947 1.993 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -27.729 12.260 4.652 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -28.307 12.995 3.170 1.00 0.00 H new ATOM 558 N THR A 38 -30.123 11.492 4.966 1.00 0.00 N ATOM 559 CA THR A 38 -31.382 10.804 5.232 1.00 0.00 C ATOM 560 C THR A 38 -32.414 11.738 5.826 1.00 0.00 C ATOM 561 O THR A 38 -32.073 12.737 6.450 1.00 0.00 O ATOM 562 CB THR A 38 -31.177 9.610 6.197 1.00 0.00 C ATOM 563 OG1 THR A 38 -30.453 10.040 7.359 1.00 0.00 O ATOM 564 CG2 THR A 38 -30.421 8.476 5.520 1.00 0.00 C ATOM 0 H THR A 38 -29.804 12.098 5.722 1.00 0.00 H new ATOM 0 HA THR A 38 -31.743 10.438 4.271 1.00 0.00 H new ATOM 0 HB THR A 38 -32.160 9.242 6.489 1.00 0.00 H new ATOM 0 HG1 THR A 38 -30.328 9.281 7.966 1.00 0.00 H new ATOM 0 HG21 THR A 38 -30.293 7.653 6.223 1.00 0.00 H new ATOM 0 HG22 THR A 38 -30.985 8.129 4.654 1.00 0.00 H new ATOM 0 HG23 THR A 38 -29.443 8.833 5.197 1.00 0.00 H new ATOM 572 N ARG A 39 -33.673 11.418 5.620 1.00 0.00 N ATOM 573 CA ARG A 39 -34.771 12.173 6.168 1.00 0.00 C ATOM 574 C ARG A 39 -35.926 11.217 6.408 1.00 0.00 C ATOM 575 O ARG A 39 -35.941 10.113 5.861 1.00 0.00 O ATOM 576 CB ARG A 39 -35.212 13.294 5.203 1.00 0.00 C ATOM 577 CG ARG A 39 -36.362 14.137 5.735 1.00 0.00 C ATOM 578 CD ARG A 39 -36.834 15.186 4.744 1.00 0.00 C ATOM 579 NE ARG A 39 -38.009 15.901 5.255 1.00 0.00 N ATOM 580 CZ ARG A 39 -38.134 17.229 5.306 1.00 0.00 C ATOM 581 NH1 ARG A 39 -37.192 18.016 4.791 1.00 0.00 N ATOM 582 NH2 ARG A 39 -39.210 17.770 5.866 1.00 0.00 N ATOM 0 H ARG A 39 -33.963 10.616 5.060 1.00 0.00 H new ATOM 0 HA ARG A 39 -34.458 12.643 7.100 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -34.360 13.943 5.000 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -35.508 12.849 4.253 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -37.197 13.484 5.990 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -36.049 14.629 6.656 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -36.029 15.895 4.548 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -37.078 14.710 3.794 1.00 0.00 H new ATOM 0 HE ARG A 39 -38.790 15.341 5.597 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -36.367 17.605 4.353 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -37.295 19.030 4.834 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -39.938 17.171 6.256 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -39.308 18.784 5.907 1.00 0.00 H new ATOM 596 N THR A 40 -36.857 11.608 7.225 1.00 0.00 N ATOM 597 CA THR A 40 -38.010 10.801 7.476 1.00 0.00 C ATOM 598 C THR A 40 -39.219 11.380 6.753 1.00 0.00 C ATOM 599 O THR A 40 -39.266 12.583 6.476 1.00 0.00 O ATOM 600 CB THR A 40 -38.288 10.724 8.982 1.00 0.00 C ATOM 601 OG1 THR A 40 -37.962 11.980 9.595 1.00 0.00 O ATOM 602 CG2 THR A 40 -37.478 9.613 9.628 1.00 0.00 C ATOM 0 H THR A 40 -36.838 12.492 7.734 1.00 0.00 H new ATOM 0 HA THR A 40 -37.820 9.795 7.103 1.00 0.00 H new ATOM 0 HB THR A 40 -39.346 10.506 9.128 1.00 0.00 H new ATOM 0 HG1 THR A 40 -38.778 12.511 9.707 1.00 0.00 H new ATOM 0 HG21 THR A 40 -37.693 9.580 10.696 1.00 0.00 H new ATOM 0 HG22 THR A 40 -37.743 8.658 9.174 1.00 0.00 H new ATOM 0 HG23 THR A 40 -36.415 9.803 9.478 1.00 0.00 H new ATOM 610 N GLY A 41 -40.193 10.535 6.442 1.00 0.00 N ATOM 611 CA GLY A 41 -41.380 11.006 5.750 1.00 0.00 C ATOM 612 C GLY A 41 -42.404 11.495 6.742 1.00 0.00 C ATOM 613 O GLY A 41 -42.081 11.654 7.915 1.00 0.00 O ATOM 0 H GLY A 41 -40.185 9.537 6.654 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -41.114 11.811 5.065 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -41.802 10.201 5.148 1.00 0.00 H new ATOM 617 N ALA A 42 -43.646 11.707 6.318 1.00 0.00 N ATOM 618 CA ALA A 42 -44.677 12.161 7.241 1.00 0.00 C ATOM 619 C ALA A 42 -45.094 11.005 8.115 1.00 0.00 C ATOM 620 O ALA A 42 -45.607 11.182 9.217 1.00 0.00 O ATOM 621 CB ALA A 42 -45.869 12.696 6.473 1.00 0.00 C ATOM 0 H ALA A 42 -43.959 11.574 5.356 1.00 0.00 H new ATOM 0 HA ALA A 42 -44.283 12.965 7.863 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -46.633 13.032 7.174 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -45.554 13.533 5.850 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -46.278 11.908 5.841 1.00 0.00 H new ATOM 627 N GLU A 43 -44.861 9.821 7.599 1.00 0.00 N ATOM 628 CA GLU A 43 -45.122 8.598 8.309 1.00 0.00 C ATOM 629 C GLU A 43 -43.845 8.126 9.003 1.00 0.00 C ATOM 630 O GLU A 43 -43.780 7.023 9.532 1.00 0.00 O ATOM 631 CB GLU A 43 -45.665 7.537 7.348 1.00 0.00 C ATOM 632 CG GLU A 43 -44.935 7.492 6.018 1.00 0.00 C ATOM 633 CD GLU A 43 -45.518 6.479 5.056 1.00 0.00 C ATOM 634 OE1 GLU A 43 -45.406 5.269 5.317 1.00 0.00 O ATOM 635 OE2 GLU A 43 -46.078 6.893 4.018 1.00 0.00 O ATOM 0 H GLU A 43 -44.480 9.682 6.663 1.00 0.00 H new ATOM 0 HA GLU A 43 -45.880 8.771 9.073 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -45.597 6.559 7.824 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -46.722 7.730 7.166 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -44.966 8.480 5.559 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -43.886 7.255 6.194 1.00 0.00 H new ATOM 642 N CYS A 44 -42.818 8.989 8.961 1.00 0.00 N ATOM 643 CA CYS A 44 -41.535 8.751 9.622 1.00 0.00 C ATOM 644 C CYS A 44 -40.773 7.560 9.037 1.00 0.00 C ATOM 645 O CYS A 44 -39.993 6.904 9.731 1.00 0.00 O ATOM 646 CB CYS A 44 -41.712 8.627 11.139 1.00 0.00 C ATOM 647 SG CYS A 44 -42.189 10.201 11.945 1.00 0.00 S ATOM 0 H CYS A 44 -42.860 9.878 8.462 1.00 0.00 H new ATOM 0 HA CYS A 44 -40.914 9.625 9.426 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -42.472 7.875 11.349 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -40.781 8.270 11.578 1.00 0.00 H new ATOM 0 HG CYS A 44 -42.321 10.011 13.224 1.00 0.00 H new ATOM 652 N LYS A 45 -40.977 7.316 7.746 1.00 0.00 N ATOM 653 CA LYS A 45 -40.267 6.250 7.044 1.00 0.00 C ATOM 654 C LYS A 45 -38.861 6.701 6.661 1.00 0.00 C ATOM 655 O LYS A 45 -38.467 7.829 6.951 1.00 0.00 O ATOM 656 CB LYS A 45 -41.045 5.810 5.810 1.00 0.00 C ATOM 657 CG LYS A 45 -42.348 5.109 6.136 1.00 0.00 C ATOM 658 CD LYS A 45 -42.113 3.750 6.773 1.00 0.00 C ATOM 659 CE LYS A 45 -43.427 3.064 7.108 1.00 0.00 C ATOM 660 NZ LYS A 45 -44.301 2.937 5.917 1.00 0.00 N ATOM 0 H LYS A 45 -41.629 7.842 7.164 1.00 0.00 H new ATOM 0 HA LYS A 45 -40.180 5.396 7.716 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -41.256 6.683 5.193 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -40.421 5.142 5.216 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -42.936 5.730 6.812 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -42.933 4.987 5.225 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -41.535 3.123 6.094 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -41.520 3.868 7.680 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -43.226 2.074 7.519 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -43.946 3.631 7.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -44.907 2.098 6.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -44.896 3.785 5.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -43.714 2.839 5.064 1.00 0.00 H new ATOM 674 N GLN A 46 -38.125 5.835 5.988 1.00 0.00 N ATOM 675 CA GLN A 46 -36.739 6.104 5.661 1.00 0.00 C ATOM 676 C GLN A 46 -36.587 6.670 4.260 1.00 0.00 C ATOM 677 O GLN A 46 -36.793 5.971 3.269 1.00 0.00 O ATOM 678 CB GLN A 46 -35.915 4.820 5.783 1.00 0.00 C ATOM 679 CG GLN A 46 -35.979 4.169 7.154 1.00 0.00 C ATOM 680 CD GLN A 46 -35.258 2.835 7.201 1.00 0.00 C ATOM 681 OE1 GLN A 46 -34.281 2.610 6.478 1.00 0.00 O ATOM 682 NE2 GLN A 46 -35.736 1.941 8.040 1.00 0.00 N ATOM 0 H GLN A 46 -38.468 4.934 5.656 1.00 0.00 H new ATOM 0 HA GLN A 46 -36.375 6.850 6.367 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -36.263 4.106 5.037 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -34.875 5.045 5.548 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -35.541 4.841 7.892 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -37.022 4.024 7.435 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -36.545 2.166 8.619 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -35.298 1.023 8.111 1.00 0.00 H new ATOM 691 N THR A 47 -36.251 7.931 4.181 1.00 0.00 N ATOM 692 CA THR A 47 -35.976 8.566 2.917 1.00 0.00 C ATOM 693 C THR A 47 -34.475 8.845 2.847 1.00 0.00 C ATOM 694 O THR A 47 -33.917 9.452 3.757 1.00 0.00 O ATOM 695 CB THR A 47 -36.762 9.877 2.785 1.00 0.00 C ATOM 696 OG1 THR A 47 -38.041 9.723 3.419 1.00 0.00 O ATOM 697 CG2 THR A 47 -36.979 10.208 1.325 1.00 0.00 C ATOM 0 H THR A 47 -36.160 8.547 4.989 1.00 0.00 H new ATOM 0 HA THR A 47 -36.282 7.912 2.100 1.00 0.00 H new ATOM 0 HB THR A 47 -36.198 10.680 3.258 1.00 0.00 H new ATOM 0 HG1 THR A 47 -38.548 10.558 3.340 1.00 0.00 H new ATOM 0 HG21 THR A 47 -37.538 11.140 1.242 1.00 0.00 H new ATOM 0 HG22 THR A 47 -36.014 10.318 0.830 1.00 0.00 H new ATOM 0 HG23 THR A 47 -37.541 9.405 0.849 1.00 0.00 H new ATOM 705 N MET A 48 -33.818 8.393 1.796 1.00 0.00 N ATOM 706 CA MET A 48 -32.369 8.506 1.729 1.00 0.00 C ATOM 707 C MET A 48 -31.879 8.953 0.355 1.00 0.00 C ATOM 708 O MET A 48 -32.531 8.716 -0.661 1.00 0.00 O ATOM 709 CB MET A 48 -31.734 7.155 2.109 1.00 0.00 C ATOM 710 CG MET A 48 -30.210 7.136 2.097 1.00 0.00 C ATOM 711 SD MET A 48 -29.536 5.520 2.517 1.00 0.00 S ATOM 712 CE MET A 48 -27.780 5.837 2.361 1.00 0.00 C ATOM 0 H MET A 48 -34.254 7.950 0.987 1.00 0.00 H new ATOM 0 HA MET A 48 -32.063 9.277 2.437 1.00 0.00 H new ATOM 0 HB2 MET A 48 -32.078 6.875 3.105 1.00 0.00 H new ATOM 0 HB3 MET A 48 -32.098 6.393 1.420 1.00 0.00 H new ATOM 0 HG2 MET A 48 -29.854 7.429 1.109 1.00 0.00 H new ATOM 0 HG3 MET A 48 -29.835 7.877 2.803 1.00 0.00 H new ATOM 0 HE1 MET A 48 -27.264 4.910 2.113 1.00 0.00 H new ATOM 0 HE2 MET A 48 -27.611 6.569 1.571 1.00 0.00 H new ATOM 0 HE3 MET A 48 -27.395 6.225 3.304 1.00 0.00 H new ATOM 722 N LYS A 49 -30.719 9.593 0.353 1.00 0.00 N ATOM 723 CA LYS A 49 -30.067 10.041 -0.857 1.00 0.00 C ATOM 724 C LYS A 49 -28.564 9.913 -0.692 1.00 0.00 C ATOM 725 O LYS A 49 -28.019 10.282 0.354 1.00 0.00 O ATOM 726 CB LYS A 49 -30.418 11.479 -1.147 1.00 0.00 C ATOM 727 CG LYS A 49 -29.906 11.944 -2.491 1.00 0.00 C ATOM 728 CD LYS A 49 -30.384 13.328 -2.803 1.00 0.00 C ATOM 729 CE LYS A 49 -29.707 14.366 -1.918 1.00 0.00 C ATOM 730 NZ LYS A 49 -30.120 15.745 -2.265 1.00 0.00 N ATOM 0 H LYS A 49 -30.203 9.816 1.204 1.00 0.00 H new ATOM 0 HA LYS A 49 -30.406 9.424 -1.689 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -31.501 11.598 -1.114 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -30.003 12.115 -0.365 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -28.816 11.923 -2.495 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -30.241 11.257 -3.268 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -30.184 13.555 -3.850 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -31.464 13.380 -2.666 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -29.950 14.167 -0.874 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -28.625 14.276 -2.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -29.636 16.420 -1.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -29.865 15.945 -3.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -31.149 15.839 -2.147 1.00 0.00 H new ATOM 744 N THR A 50 -27.892 9.392 -1.694 1.00 0.00 N ATOM 745 CA THR A 50 -26.457 9.238 -1.649 1.00 0.00 C ATOM 746 C THR A 50 -25.814 10.087 -2.741 1.00 0.00 C ATOM 747 O THR A 50 -26.326 10.160 -3.860 1.00 0.00 O ATOM 748 CB THR A 50 -26.035 7.766 -1.825 1.00 0.00 C ATOM 749 OG1 THR A 50 -26.885 6.918 -1.034 1.00 0.00 O ATOM 750 CG2 THR A 50 -24.593 7.572 -1.379 1.00 0.00 C ATOM 0 H THR A 50 -28.323 9.065 -2.559 1.00 0.00 H new ATOM 0 HA THR A 50 -26.117 9.570 -0.668 1.00 0.00 H new ATOM 0 HB THR A 50 -26.126 7.504 -2.879 1.00 0.00 H new ATOM 0 HG1 THR A 50 -26.614 5.983 -1.150 1.00 0.00 H new ATOM 0 HG21 THR A 50 -24.309 6.528 -1.509 1.00 0.00 H new ATOM 0 HG22 THR A 50 -23.938 8.203 -1.980 1.00 0.00 H new ATOM 0 HG23 THR A 50 -24.497 7.846 -0.328 1.00 0.00 H new ATOM 758 N GLN A 51 -24.713 10.731 -2.415 1.00 0.00 N ATOM 759 CA GLN A 51 -24.028 11.613 -3.349 1.00 0.00 C ATOM 760 C GLN A 51 -22.537 11.357 -3.327 1.00 0.00 C ATOM 761 O GLN A 51 -21.991 10.910 -2.323 1.00 0.00 O ATOM 762 CB GLN A 51 -24.308 13.084 -3.012 1.00 0.00 C ATOM 763 CG GLN A 51 -25.737 13.527 -3.296 1.00 0.00 C ATOM 764 CD GLN A 51 -25.997 14.960 -2.874 1.00 0.00 C ATOM 765 OE1 GLN A 51 -26.429 15.221 -1.755 1.00 0.00 O ATOM 766 NE2 GLN A 51 -25.731 15.895 -3.766 1.00 0.00 N ATOM 0 H GLN A 51 -24.266 10.662 -1.501 1.00 0.00 H new ATOM 0 HA GLN A 51 -24.408 11.404 -4.349 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -24.090 13.252 -1.957 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -23.624 13.713 -3.582 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -25.941 13.423 -4.362 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -26.429 12.867 -2.773 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -25.373 15.636 -4.685 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -25.883 16.877 -3.536 1.00 0.00 H new ATOM 775 N ARG A 52 -21.894 11.624 -4.435 1.00 0.00 N ATOM 776 CA ARG A 52 -20.460 11.445 -4.562 1.00 0.00 C ATOM 777 C ARG A 52 -19.766 12.782 -4.540 1.00 0.00 C ATOM 778 O ARG A 52 -20.171 13.719 -5.238 1.00 0.00 O ATOM 779 CB ARG A 52 -20.096 10.673 -5.841 1.00 0.00 C ATOM 780 CG ARG A 52 -20.986 10.978 -7.031 1.00 0.00 C ATOM 781 CD ARG A 52 -22.235 10.126 -7.002 1.00 0.00 C ATOM 782 NE ARG A 52 -23.163 10.470 -8.077 1.00 0.00 N ATOM 783 CZ ARG A 52 -24.253 9.764 -8.391 1.00 0.00 C ATOM 784 NH1 ARG A 52 -24.562 8.667 -7.709 1.00 0.00 N ATOM 785 NH2 ARG A 52 -25.032 10.159 -9.392 1.00 0.00 N ATOM 0 H ARG A 52 -22.346 11.973 -5.280 1.00 0.00 H new ATOM 0 HA ARG A 52 -20.121 10.852 -3.712 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -19.064 10.901 -6.107 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -20.143 9.604 -5.632 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -21.260 12.033 -7.024 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -20.438 10.797 -7.956 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -21.958 9.075 -7.086 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -22.734 10.248 -6.041 1.00 0.00 H new ATOM 0 HE ARG A 52 -22.965 11.307 -8.626 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -23.966 8.359 -6.941 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -25.395 8.132 -7.954 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -24.798 11.000 -9.919 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -25.865 9.621 -9.633 1.00 0.00 H new ATOM 799 N CYS A 53 -18.748 12.884 -3.721 1.00 0.00 N ATOM 800 CA CYS A 53 -18.006 14.123 -3.576 1.00 0.00 C ATOM 801 C CYS A 53 -16.889 14.155 -4.625 1.00 0.00 C ATOM 802 O CYS A 53 -16.865 13.328 -5.535 1.00 0.00 O ATOM 803 CB CYS A 53 -17.399 14.217 -2.171 1.00 0.00 C ATOM 804 SG CYS A 53 -18.591 14.032 -0.801 1.00 0.00 S ATOM 0 H CYS A 53 -18.408 12.119 -3.138 1.00 0.00 H new ATOM 0 HA CYS A 53 -18.678 14.969 -3.721 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -16.632 13.449 -2.071 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -16.900 15.181 -2.071 1.00 0.00 H new ATOM 809 N LYS A 54 -15.968 15.090 -4.501 1.00 0.00 N ATOM 810 CA LYS A 54 -14.879 15.196 -5.438 1.00 0.00 C ATOM 811 C LYS A 54 -13.547 15.145 -4.691 1.00 0.00 C ATOM 812 O LYS A 54 -13.366 15.851 -3.697 1.00 0.00 O ATOM 813 CB LYS A 54 -15.011 16.508 -6.202 1.00 0.00 C ATOM 814 CG LYS A 54 -14.245 16.551 -7.496 1.00 0.00 C ATOM 815 CD LYS A 54 -14.536 17.834 -8.255 1.00 0.00 C ATOM 816 CE LYS A 54 -14.033 17.770 -9.689 1.00 0.00 C ATOM 817 NZ LYS A 54 -14.656 16.655 -10.446 1.00 0.00 N ATOM 0 H LYS A 54 -15.957 15.787 -3.756 1.00 0.00 H new ATOM 0 HA LYS A 54 -14.911 14.364 -6.142 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -16.065 16.688 -6.411 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -14.669 17.323 -5.564 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -13.176 16.478 -7.293 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -14.513 15.691 -8.111 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -15.610 18.021 -8.255 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -14.067 18.674 -7.743 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -14.247 18.714 -10.191 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -12.950 17.648 -9.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.596 16.851 -11.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.155 15.769 -10.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -15.654 16.563 -10.170 1.00 0.00 H new ATOM 831 N ILE A 55 -12.621 14.314 -5.157 1.00 0.00 N ATOM 832 CA ILE A 55 -11.328 14.188 -4.497 1.00 0.00 C ATOM 833 C ILE A 55 -10.230 14.874 -5.326 1.00 0.00 C ATOM 834 O ILE A 55 -9.993 14.520 -6.484 1.00 0.00 O ATOM 835 CB ILE A 55 -10.955 12.691 -4.189 1.00 0.00 C ATOM 836 CG1 ILE A 55 -9.667 12.616 -3.362 1.00 0.00 C ATOM 837 CG2 ILE A 55 -10.818 11.863 -5.468 1.00 0.00 C ATOM 838 CD1 ILE A 55 -9.363 11.237 -2.824 1.00 0.00 C ATOM 0 H ILE A 55 -12.740 13.724 -5.980 1.00 0.00 H new ATOM 0 HA ILE A 55 -11.405 14.694 -3.535 1.00 0.00 H new ATOM 0 HB ILE A 55 -11.773 12.265 -3.608 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -8.831 12.947 -3.979 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.742 13.312 -2.527 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -10.560 10.836 -5.211 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -11.763 11.874 -6.012 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -10.034 12.288 -6.094 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.437 11.266 -2.250 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -10.179 10.910 -2.179 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -9.254 10.539 -3.654 1.00 0.00 H new ATOM 850 N PRO A 56 -9.584 15.902 -4.758 1.00 0.00 N ATOM 851 CA PRO A 56 -8.538 16.655 -5.451 1.00 0.00 C ATOM 852 C PRO A 56 -7.185 15.935 -5.451 1.00 0.00 C ATOM 853 O PRO A 56 -6.381 16.118 -6.361 1.00 0.00 O ATOM 854 CB PRO A 56 -8.459 17.954 -4.654 1.00 0.00 C ATOM 855 CG PRO A 56 -8.879 17.581 -3.269 1.00 0.00 C ATOM 856 CD PRO A 56 -9.845 16.430 -3.402 1.00 0.00 C ATOM 0 HA PRO A 56 -8.771 16.796 -6.506 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -7.449 18.363 -4.664 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.115 18.716 -5.074 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -8.016 17.294 -2.667 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -9.351 18.426 -2.767 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -9.671 15.672 -2.638 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -10.878 16.761 -3.294 1.00 0.00 H new ATOM 864 N CYS A 57 -6.941 15.128 -4.413 1.00 0.00 N ATOM 865 CA CYS A 57 -5.688 14.360 -4.273 1.00 0.00 C ATOM 866 C CYS A 57 -4.471 15.275 -4.059 1.00 0.00 C ATOM 867 O CYS A 57 -3.324 14.831 -4.148 1.00 0.00 O ATOM 868 CB CYS A 57 -5.460 13.454 -5.496 1.00 0.00 C ATOM 869 SG CYS A 57 -6.826 12.294 -5.834 1.00 0.00 S ATOM 0 H CYS A 57 -7.599 14.986 -3.647 1.00 0.00 H new ATOM 0 HA CYS A 57 -5.796 13.737 -3.385 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -5.305 14.081 -6.374 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -4.543 12.884 -5.346 1.00 0.00 H new ATOM 993 N GLY A 64 0.722 28.644 6.871 1.00 0.00 N ATOM 994 CA GLY A 64 1.007 29.497 8.001 1.00 0.00 C ATOM 995 C GLY A 64 1.314 28.702 9.254 1.00 0.00 C ATOM 996 O GLY A 64 0.507 28.658 10.184 1.00 0.00 O ATOM 0 HA2 GLY A 64 1.854 30.140 7.764 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.154 30.149 8.186 1.00 0.00 H new ATOM 1000 N ALA A 65 2.475 28.063 9.273 1.00 0.00 N ATOM 1001 CA ALA A 65 2.905 27.274 10.423 1.00 0.00 C ATOM 1002 C ALA A 65 4.319 27.667 10.838 1.00 0.00 C ATOM 1003 O ALA A 65 4.542 28.154 11.940 1.00 0.00 O ATOM 1004 CB ALA A 65 2.833 25.785 10.101 1.00 0.00 C ATOM 0 H ALA A 65 3.141 28.075 8.501 1.00 0.00 H new ATOM 0 HA ALA A 65 2.234 27.478 11.257 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.157 25.209 10.968 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.807 25.516 9.849 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.484 25.564 9.255 1.00 0.00 H new ATOM 1010 N GLU A 66 5.267 27.462 9.934 1.00 0.00 N ATOM 1011 CA GLU A 66 6.663 27.828 10.174 1.00 0.00 C ATOM 1012 C GLU A 66 6.866 29.307 9.850 1.00 0.00 C ATOM 1013 O GLU A 66 7.859 29.922 10.239 1.00 0.00 O ATOM 1014 CB GLU A 66 7.573 26.982 9.281 1.00 0.00 C ATOM 1015 CG GLU A 66 7.455 25.486 9.511 1.00 0.00 C ATOM 1016 CD GLU A 66 8.105 25.046 10.801 1.00 0.00 C ATOM 1017 OE1 GLU A 66 9.337 24.873 10.813 1.00 0.00 O ATOM 1018 OE2 GLU A 66 7.390 24.864 11.809 1.00 0.00 O ATOM 0 H GLU A 66 5.096 27.041 9.021 1.00 0.00 H new ATOM 0 HA GLU A 66 6.910 27.648 11.220 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.341 27.197 8.238 1.00 0.00 H new ATOM 0 HB3 GLU A 66 8.607 27.283 9.447 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.402 25.206 9.525 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.915 24.956 8.677 1.00 0.00 H new ATOM 1025 N CYS A 67 5.903 29.858 9.154 1.00 0.00 N ATOM 1026 CA CYS A 67 5.934 31.228 8.697 1.00 0.00 C ATOM 1027 C CYS A 67 4.504 31.712 8.530 1.00 0.00 C ATOM 1028 O CYS A 67 3.574 31.049 8.994 1.00 0.00 O ATOM 1029 CB CYS A 67 6.654 31.275 7.362 1.00 0.00 C ATOM 1030 SG CYS A 67 5.985 30.084 6.160 1.00 0.00 S ATOM 0 H CYS A 67 5.057 29.357 8.883 1.00 0.00 H new ATOM 0 HA CYS A 67 6.453 31.865 9.413 1.00 0.00 H new ATOM 0 HB2 CYS A 67 6.580 32.281 6.950 1.00 0.00 H new ATOM 0 HB3 CYS A 67 7.713 31.071 7.518 1.00 0.00 H new ATOM 1035 N LYS A 68 4.308 32.838 7.857 1.00 0.00 N ATOM 1036 CA LYS A 68 2.972 33.355 7.633 1.00 0.00 C ATOM 1037 C LYS A 68 2.801 33.729 6.176 1.00 0.00 C ATOM 1038 O LYS A 68 3.752 34.157 5.518 1.00 0.00 O ATOM 1039 CB LYS A 68 2.676 34.560 8.531 1.00 0.00 C ATOM 1040 CG LYS A 68 2.582 34.219 10.012 1.00 0.00 C ATOM 1041 CD LYS A 68 2.082 35.397 10.836 1.00 0.00 C ATOM 1042 CE LYS A 68 0.685 35.827 10.408 1.00 0.00 C ATOM 1043 NZ LYS A 68 0.096 36.816 11.342 1.00 0.00 N ATOM 0 H LYS A 68 5.056 33.406 7.460 1.00 0.00 H new ATOM 0 HA LYS A 68 2.260 32.571 7.890 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.457 35.307 8.389 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.738 35.016 8.213 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.911 33.371 10.147 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.562 33.911 10.376 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.072 35.126 11.892 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.770 36.235 10.729 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.729 36.256 9.407 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.038 34.952 10.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.854 37.081 11.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.030 36.399 12.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.699 37.663 11.377 1.00 0.00 H new ATOM 1057 N TYR A 69 1.594 33.571 5.675 1.00 0.00 N ATOM 1058 CA TYR A 69 1.316 33.844 4.281 1.00 0.00 C ATOM 1059 C TYR A 69 0.306 34.944 4.116 1.00 0.00 C ATOM 1060 O TYR A 69 -0.543 35.164 4.979 1.00 0.00 O ATOM 1061 CB TYR A 69 0.821 32.590 3.579 1.00 0.00 C ATOM 1062 CG TYR A 69 1.904 31.590 3.364 1.00 0.00 C ATOM 1063 CD1 TYR A 69 1.857 30.337 3.952 1.00 0.00 C ATOM 1064 CD2 TYR A 69 2.993 31.908 2.579 1.00 0.00 C ATOM 1065 CE1 TYR A 69 2.872 29.428 3.755 1.00 0.00 C ATOM 1066 CE2 TYR A 69 3.995 31.020 2.374 1.00 0.00 C ATOM 1067 CZ TYR A 69 3.941 29.775 2.962 1.00 0.00 C ATOM 1068 OH TYR A 69 4.962 28.883 2.768 1.00 0.00 O ATOM 0 H TYR A 69 0.788 33.254 6.214 1.00 0.00 H new ATOM 0 HA TYR A 69 2.251 34.171 3.827 1.00 0.00 H new ATOM 0 HB2 TYR A 69 0.025 32.137 4.170 1.00 0.00 H new ATOM 0 HB3 TYR A 69 0.387 32.863 2.617 1.00 0.00 H new ATOM 0 HD1 TYR A 69 1.014 30.070 4.572 1.00 0.00 H new ATOM 0 HD2 TYR A 69 3.048 32.884 2.119 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.829 28.453 4.218 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.835 31.287 1.750 1.00 0.00 H new ATOM 0 HH TYR A 69 5.544 29.204 2.048 1.00 0.00 H new ATOM 1078 N GLN A 70 0.408 35.643 3.012 1.00 0.00 N ATOM 1079 CA GLN A 70 -0.523 36.688 2.680 1.00 0.00 C ATOM 1080 C GLN A 70 -1.285 36.276 1.443 1.00 0.00 C ATOM 1081 O GLN A 70 -0.686 36.066 0.386 1.00 0.00 O ATOM 1082 CB GLN A 70 0.225 37.990 2.414 1.00 0.00 C ATOM 1083 CG GLN A 70 -0.665 39.222 2.374 1.00 0.00 C ATOM 1084 CD GLN A 70 -1.228 39.566 3.738 1.00 0.00 C ATOM 1085 OE1 GLN A 70 -0.600 39.297 4.768 1.00 0.00 O ATOM 1086 NE2 GLN A 70 -2.402 40.163 3.761 1.00 0.00 N ATOM 0 H GLN A 70 1.142 35.501 2.318 1.00 0.00 H new ATOM 0 HA GLN A 70 -1.212 36.846 3.510 1.00 0.00 H new ATOM 0 HB2 GLN A 70 0.981 38.126 3.187 1.00 0.00 H new ATOM 0 HB3 GLN A 70 0.753 37.905 1.464 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -0.093 40.069 1.995 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -1.485 39.053 1.676 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -2.887 40.367 2.888 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -2.826 40.421 4.652 1.00 0.00 H new ATOM 1095 N PHE A 71 -2.585 36.128 1.570 1.00 0.00 N ATOM 1096 CA PHE A 71 -3.405 35.736 0.449 1.00 0.00 C ATOM 1097 C PHE A 71 -4.020 36.954 -0.198 1.00 0.00 C ATOM 1098 O PHE A 71 -4.413 37.898 0.489 1.00 0.00 O ATOM 1099 CB PHE A 71 -4.497 34.760 0.888 1.00 0.00 C ATOM 1100 CG PHE A 71 -3.969 33.431 1.350 1.00 0.00 C ATOM 1101 CD1 PHE A 71 -3.728 33.192 2.693 1.00 0.00 C ATOM 1102 CD2 PHE A 71 -3.713 32.419 0.437 1.00 0.00 C ATOM 1103 CE1 PHE A 71 -3.240 31.971 3.117 1.00 0.00 C ATOM 1104 CE2 PHE A 71 -3.227 31.197 0.855 1.00 0.00 C ATOM 1105 CZ PHE A 71 -2.989 30.972 2.196 1.00 0.00 C ATOM 0 H PHE A 71 -3.096 36.274 2.440 1.00 0.00 H new ATOM 0 HA PHE A 71 -2.771 35.232 -0.280 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -5.073 35.212 1.695 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -5.184 34.599 0.057 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -3.924 33.969 3.417 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -3.896 32.589 -0.614 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -3.055 31.798 4.167 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -3.033 30.417 0.133 1.00 0.00 H new ATOM 0 HZ PHE A 71 -2.607 30.017 2.525 1.00 0.00 H new ATOM 1115 N GLN A 72 -4.097 36.940 -1.500 1.00 0.00 N ATOM 1116 CA GLN A 72 -4.669 38.029 -2.234 1.00 0.00 C ATOM 1117 C GLN A 72 -5.878 37.543 -3.022 1.00 0.00 C ATOM 1118 O GLN A 72 -6.053 36.336 -3.247 1.00 0.00 O ATOM 1119 CB GLN A 72 -3.631 38.655 -3.173 1.00 0.00 C ATOM 1120 CG GLN A 72 -3.717 38.139 -4.586 1.00 0.00 C ATOM 1121 CD GLN A 72 -2.548 38.551 -5.455 1.00 0.00 C ATOM 1122 OE1 GLN A 72 -1.951 39.615 -5.264 1.00 0.00 O ATOM 1123 NE2 GLN A 72 -2.218 37.716 -6.411 1.00 0.00 N ATOM 0 H GLN A 72 -3.764 36.171 -2.081 1.00 0.00 H new ATOM 0 HA GLN A 72 -4.991 38.795 -1.529 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -3.764 39.737 -3.180 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.633 38.459 -2.782 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -3.776 37.051 -4.563 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -4.640 38.499 -5.040 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -2.739 36.848 -6.532 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -1.440 37.935 -7.033 1.00 0.00 H new ATOM 1132 N ALA A 73 -6.684 38.476 -3.434 1.00 0.00 N ATOM 1133 CA ALA A 73 -7.876 38.193 -4.194 1.00 0.00 C ATOM 1134 C ALA A 73 -8.090 39.290 -5.205 1.00 0.00 C ATOM 1135 O ALA A 73 -7.603 40.409 -5.023 1.00 0.00 O ATOM 1136 CB ALA A 73 -9.084 38.068 -3.273 1.00 0.00 C ATOM 0 H ALA A 73 -6.535 39.469 -3.252 1.00 0.00 H new ATOM 0 HA ALA A 73 -7.754 37.243 -4.714 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.973 37.854 -3.866 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -8.918 37.258 -2.563 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.226 39.002 -2.730 1.00 0.00 H new ATOM 1142 N TRP A 74 -8.809 38.994 -6.259 1.00 0.00 N ATOM 1143 CA TRP A 74 -9.062 39.976 -7.291 1.00 0.00 C ATOM 1144 C TRP A 74 -10.478 40.482 -7.149 1.00 0.00 C ATOM 1145 O TRP A 74 -10.870 41.472 -7.757 1.00 0.00 O ATOM 1146 CB TRP A 74 -8.833 39.373 -8.676 1.00 0.00 C ATOM 1147 CG TRP A 74 -7.428 38.895 -8.882 1.00 0.00 C ATOM 1148 CD1 TRP A 74 -6.344 39.657 -9.203 1.00 0.00 C ATOM 1149 CD2 TRP A 74 -6.953 37.549 -8.775 1.00 0.00 C ATOM 1150 NE1 TRP A 74 -5.225 38.870 -9.302 1.00 0.00 N ATOM 1151 CE2 TRP A 74 -5.572 37.570 -9.046 1.00 0.00 C ATOM 1152 CE3 TRP A 74 -7.561 36.325 -8.476 1.00 0.00 C ATOM 1153 CZ2 TRP A 74 -4.790 36.418 -9.026 1.00 0.00 C ATOM 1154 CZ3 TRP A 74 -6.784 35.184 -8.459 1.00 0.00 C ATOM 1155 CH2 TRP A 74 -5.413 35.239 -8.732 1.00 0.00 C ATOM 0 H TRP A 74 -9.231 38.081 -6.428 1.00 0.00 H new ATOM 0 HA TRP A 74 -8.370 40.810 -7.179 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -9.520 38.539 -8.821 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -9.072 40.118 -9.435 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -6.364 40.726 -9.357 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -4.287 39.199 -9.529 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -8.618 36.274 -8.262 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -3.731 36.456 -9.235 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -7.242 34.233 -8.231 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -4.834 34.328 -8.710 1.00 0.00 H new ATOM 1166 N GLY A 75 -11.230 39.787 -6.322 1.00 0.00 N ATOM 1167 CA GLY A 75 -12.603 40.104 -6.088 1.00 0.00 C ATOM 1168 C GLY A 75 -13.285 38.952 -5.402 1.00 0.00 C ATOM 1169 O GLY A 75 -12.649 38.221 -4.632 1.00 0.00 O ATOM 0 H GLY A 75 -10.893 38.982 -5.794 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -12.678 41.001 -5.473 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -13.101 40.322 -7.033 1.00 0.00 H new ATOM 1173 N GLU A 76 -14.545 38.760 -5.680 1.00 0.00 N ATOM 1174 CA GLU A 76 -15.264 37.678 -5.089 1.00 0.00 C ATOM 1175 C GLU A 76 -15.750 36.711 -6.148 1.00 0.00 C ATOM 1176 O GLU A 76 -16.619 37.058 -6.948 1.00 0.00 O ATOM 1177 CB GLU A 76 -16.426 38.192 -4.264 1.00 0.00 C ATOM 1178 CG GLU A 76 -17.210 37.090 -3.610 1.00 0.00 C ATOM 1179 CD GLU A 76 -18.349 37.603 -2.778 1.00 0.00 C ATOM 1180 OE1 GLU A 76 -18.133 37.887 -1.584 1.00 0.00 O ATOM 1181 OE2 GLU A 76 -19.471 37.719 -3.309 1.00 0.00 O ATOM 0 H GLU A 76 -15.091 39.343 -6.314 1.00 0.00 H new ATOM 0 HA GLU A 76 -14.583 37.144 -4.426 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -16.049 38.868 -3.497 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -17.090 38.774 -4.903 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -17.599 36.422 -4.378 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -16.544 36.500 -2.981 1.00 0.00 H new ATOM 1188 N CYS A 77 -15.204 35.490 -6.118 1.00 0.00 N ATOM 1189 CA CYS A 77 -15.572 34.416 -7.051 1.00 0.00 C ATOM 1190 C CYS A 77 -15.281 34.806 -8.505 1.00 0.00 C ATOM 1191 O CYS A 77 -15.848 35.763 -9.032 1.00 0.00 O ATOM 1192 CB CYS A 77 -17.058 34.050 -6.880 1.00 0.00 C ATOM 1193 SG CYS A 77 -17.566 32.494 -7.689 1.00 0.00 S ATOM 0 H CYS A 77 -14.490 35.217 -5.442 1.00 0.00 H new ATOM 0 HA CYS A 77 -14.961 33.545 -6.815 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -17.279 33.977 -5.815 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -17.665 34.864 -7.277 1.00 0.00 H new ATOM 1198 N ASP A 78 -14.406 34.063 -9.157 1.00 0.00 N ATOM 1199 CA ASP A 78 -14.092 34.330 -10.546 1.00 0.00 C ATOM 1200 C ASP A 78 -15.297 33.993 -11.372 1.00 0.00 C ATOM 1201 O ASP A 78 -15.643 32.840 -11.537 1.00 0.00 O ATOM 1202 CB ASP A 78 -12.911 33.487 -11.027 1.00 0.00 C ATOM 1203 CG ASP A 78 -11.649 33.677 -10.214 1.00 0.00 C ATOM 1204 OD1 ASP A 78 -10.880 34.606 -10.521 1.00 0.00 O ATOM 1205 OD2 ASP A 78 -11.408 32.874 -9.287 1.00 0.00 O ATOM 0 H ASP A 78 -13.903 33.275 -8.749 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.821 35.381 -10.648 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -13.194 32.435 -11.000 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -12.701 33.734 -12.068 1.00 0.00 H new ATOM 1210 N LEU A 79 -15.915 35.008 -11.895 1.00 0.00 N ATOM 1211 CA LEU A 79 -17.167 34.879 -12.634 1.00 0.00 C ATOM 1212 C LEU A 79 -16.967 34.183 -13.944 1.00 0.00 C ATOM 1213 O LEU A 79 -17.904 33.636 -14.523 1.00 0.00 O ATOM 1214 CB LEU A 79 -17.728 36.238 -12.876 1.00 0.00 C ATOM 1215 CG LEU A 79 -17.826 37.098 -11.635 1.00 0.00 C ATOM 1216 CD1 LEU A 79 -18.102 38.547 -11.997 1.00 0.00 C ATOM 1217 CD2 LEU A 79 -18.894 36.566 -10.690 1.00 0.00 C ATOM 0 H LEU A 79 -15.573 35.967 -11.829 1.00 0.00 H new ATOM 0 HA LEU A 79 -17.856 34.279 -12.039 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -17.107 36.750 -13.611 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -18.721 36.136 -13.313 1.00 0.00 H new ATOM 0 HG LEU A 79 -16.865 37.056 -11.121 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -18.168 39.143 -11.087 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -17.293 38.926 -12.622 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -19.043 38.613 -12.543 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -18.946 37.201 -9.805 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -19.860 36.568 -11.195 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -18.642 35.548 -10.392 1.00 0.00 H new ATOM 1229 N ASN A 80 -15.756 34.219 -14.414 1.00 0.00 N ATOM 1230 CA ASN A 80 -15.438 33.584 -15.650 1.00 0.00 C ATOM 1231 C ASN A 80 -15.582 32.090 -15.492 1.00 0.00 C ATOM 1232 O ASN A 80 -16.071 31.402 -16.389 1.00 0.00 O ATOM 1233 CB ASN A 80 -14.000 33.938 -16.067 1.00 0.00 C ATOM 1234 CG ASN A 80 -13.592 33.325 -17.400 1.00 0.00 C ATOM 1235 OD1 ASN A 80 -12.969 32.160 -17.356 1.00 0.00 O flip ATOM 1236 ND2 ASN A 80 -13.815 33.907 -18.452 1.00 0.00 N flip ATOM 0 H ASN A 80 -14.972 34.684 -13.956 1.00 0.00 H new ATOM 0 HA ASN A 80 -16.120 33.932 -16.426 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -13.903 35.022 -16.129 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -13.311 33.600 -15.293 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -14.299 34.805 -18.445 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -13.517 33.494 -19.336 1.00 0.00 H new ATOM 1243 N THR A 81 -15.155 31.580 -14.346 1.00 0.00 N ATOM 1244 CA THR A 81 -15.207 30.133 -14.120 1.00 0.00 C ATOM 1245 C THR A 81 -16.285 29.716 -13.125 1.00 0.00 C ATOM 1246 O THR A 81 -16.623 28.531 -13.026 1.00 0.00 O ATOM 1247 CB THR A 81 -13.843 29.667 -13.590 1.00 0.00 C ATOM 1248 OG1 THR A 81 -13.592 30.291 -12.323 1.00 0.00 O ATOM 1249 CG2 THR A 81 -12.745 30.079 -14.548 1.00 0.00 C ATOM 0 H THR A 81 -14.777 32.126 -13.572 1.00 0.00 H new ATOM 0 HA THR A 81 -15.452 29.668 -15.075 1.00 0.00 H new ATOM 0 HB THR A 81 -13.856 28.582 -13.489 1.00 0.00 H new ATOM 0 HG1 THR A 81 -12.723 29.996 -11.979 1.00 0.00 H new ATOM 0 HG21 THR A 81 -11.782 29.744 -14.163 1.00 0.00 H new ATOM 0 HG22 THR A 81 -12.924 29.626 -15.523 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.738 31.164 -14.648 1.00 0.00 H new ATOM 1257 N ALA A 82 -16.797 30.696 -12.394 1.00 0.00 N ATOM 1258 CA ALA A 82 -17.821 30.485 -11.370 1.00 0.00 C ATOM 1259 C ALA A 82 -17.196 29.725 -10.185 1.00 0.00 C ATOM 1260 O ALA A 82 -17.873 29.023 -9.422 1.00 0.00 O ATOM 1261 CB ALA A 82 -19.043 29.754 -11.928 1.00 0.00 C ATOM 0 H ALA A 82 -16.513 31.671 -12.493 1.00 0.00 H new ATOM 0 HA ALA A 82 -18.180 31.454 -11.024 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -19.779 29.618 -11.135 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -19.482 30.342 -12.734 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -18.740 28.780 -12.313 1.00 0.00 H new ATOM 1267 N LEU A 83 -15.893 29.918 -10.042 1.00 0.00 N ATOM 1268 CA LEU A 83 -15.074 29.288 -9.015 1.00 0.00 C ATOM 1269 C LEU A 83 -14.317 30.363 -8.305 1.00 0.00 C ATOM 1270 O LEU A 83 -14.275 31.481 -8.774 1.00 0.00 O ATOM 1271 CB LEU A 83 -14.096 28.283 -9.637 1.00 0.00 C ATOM 1272 CG LEU A 83 -14.686 27.313 -10.667 1.00 0.00 C ATOM 1273 CD1 LEU A 83 -13.582 26.492 -11.306 1.00 0.00 C ATOM 1274 CD2 LEU A 83 -15.717 26.395 -10.034 1.00 0.00 C ATOM 0 H LEU A 83 -15.360 30.535 -10.655 1.00 0.00 H new ATOM 0 HA LEU A 83 -15.712 28.744 -8.319 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -13.289 28.840 -10.114 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -13.648 27.699 -8.833 1.00 0.00 H new ATOM 0 HG LEU A 83 -15.185 27.903 -11.435 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -14.014 25.807 -12.036 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -12.877 27.157 -11.805 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -13.061 25.922 -10.537 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -16.116 25.720 -10.791 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -15.248 25.814 -9.240 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -16.528 26.992 -9.616 1.00 0.00 H new ATOM 1286 N LYS A 84 -13.716 30.056 -7.193 1.00 0.00 N ATOM 1287 CA LYS A 84 -13.021 31.063 -6.461 1.00 0.00 C ATOM 1288 C LYS A 84 -11.563 30.687 -6.281 1.00 0.00 C ATOM 1289 O LYS A 84 -11.231 29.547 -5.973 1.00 0.00 O ATOM 1290 CB LYS A 84 -13.716 31.304 -5.128 1.00 0.00 C ATOM 1291 CG LYS A 84 -13.288 32.575 -4.452 1.00 0.00 C ATOM 1292 CD LYS A 84 -14.317 33.055 -3.432 1.00 0.00 C ATOM 1293 CE LYS A 84 -14.716 31.952 -2.465 1.00 0.00 C ATOM 1294 NZ LYS A 84 -15.650 32.442 -1.419 1.00 0.00 N ATOM 0 H LYS A 84 -13.695 29.124 -6.779 1.00 0.00 H new ATOM 0 HA LYS A 84 -13.042 31.996 -7.025 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -14.794 31.332 -5.289 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -13.514 30.463 -4.465 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -12.331 32.417 -3.955 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -13.133 33.350 -5.202 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -13.908 33.897 -2.873 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -15.203 33.418 -3.953 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -15.185 31.137 -3.017 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -13.823 31.544 -1.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -15.897 31.659 -0.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -15.194 33.202 -0.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -16.513 32.808 -1.868 1.00 0.00 H new ATOM 1308 N THR A 85 -10.712 31.655 -6.479 1.00 0.00 N ATOM 1309 CA THR A 85 -9.285 31.442 -6.432 1.00 0.00 C ATOM 1310 C THR A 85 -8.626 32.296 -5.354 1.00 0.00 C ATOM 1311 O THR A 85 -9.058 33.419 -5.084 1.00 0.00 O ATOM 1312 CB THR A 85 -8.645 31.766 -7.793 1.00 0.00 C ATOM 1313 OG1 THR A 85 -9.448 31.213 -8.845 1.00 0.00 O ATOM 1314 CG2 THR A 85 -7.236 31.197 -7.888 1.00 0.00 C ATOM 0 H THR A 85 -10.985 32.617 -6.678 1.00 0.00 H new ATOM 0 HA THR A 85 -9.124 30.391 -6.191 1.00 0.00 H new ATOM 0 HB THR A 85 -8.589 32.850 -7.892 1.00 0.00 H new ATOM 0 HG1 THR A 85 -10.141 31.857 -9.101 1.00 0.00 H new ATOM 0 HG21 THR A 85 -6.810 31.442 -8.861 1.00 0.00 H new ATOM 0 HG22 THR A 85 -6.616 31.627 -7.101 1.00 0.00 H new ATOM 0 HG23 THR A 85 -7.272 30.114 -7.770 1.00 0.00 H new ATOM 1322 N ARG A 86 -7.594 31.751 -4.736 1.00 0.00 N ATOM 1323 CA ARG A 86 -6.820 32.466 -3.740 1.00 0.00 C ATOM 1324 C ARG A 86 -5.352 32.331 -4.084 1.00 0.00 C ATOM 1325 O ARG A 86 -4.869 31.223 -4.330 1.00 0.00 O ATOM 1326 CB ARG A 86 -7.023 31.904 -2.323 1.00 0.00 C ATOM 1327 CG ARG A 86 -8.431 31.989 -1.756 1.00 0.00 C ATOM 1328 CD ARG A 86 -8.400 31.648 -0.267 1.00 0.00 C ATOM 1329 NE ARG A 86 -9.731 31.458 0.312 1.00 0.00 N ATOM 1330 CZ ARG A 86 -10.027 31.680 1.602 1.00 0.00 C ATOM 1331 NH1 ARG A 86 -9.124 32.210 2.416 1.00 0.00 N ATOM 1332 NH2 ARG A 86 -11.237 31.390 2.069 1.00 0.00 N ATOM 0 H ARG A 86 -7.269 30.800 -4.911 1.00 0.00 H new ATOM 0 HA ARG A 86 -7.153 33.504 -3.748 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -6.718 30.858 -2.324 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -6.350 32.432 -1.647 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -8.834 32.991 -1.903 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -9.090 31.300 -2.284 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -7.815 30.740 -0.122 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -7.888 32.446 0.271 1.00 0.00 H new ATOM 0 HE ARG A 86 -10.479 31.137 -0.303 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -8.198 32.451 2.063 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -9.355 32.376 3.395 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -11.943 30.998 1.447 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -11.459 31.560 3.050 1.00 0.00 H new ATOM 1346 N THR A 87 -4.655 33.432 -4.126 1.00 0.00 N ATOM 1347 CA THR A 87 -3.242 33.398 -4.381 1.00 0.00 C ATOM 1348 C THR A 87 -2.484 33.823 -3.138 1.00 0.00 C ATOM 1349 O THR A 87 -2.888 34.756 -2.451 1.00 0.00 O ATOM 1350 CB THR A 87 -2.863 34.290 -5.575 1.00 0.00 C ATOM 1351 OG1 THR A 87 -3.896 35.263 -5.804 1.00 0.00 O ATOM 1352 CG2 THR A 87 -2.662 33.453 -6.830 1.00 0.00 C ATOM 0 H THR A 87 -5.043 34.365 -3.987 1.00 0.00 H new ATOM 0 HA THR A 87 -2.967 32.375 -4.637 1.00 0.00 H new ATOM 0 HB THR A 87 -1.928 34.799 -5.342 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.271 35.137 -6.701 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.395 34.104 -7.662 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.862 32.732 -6.662 1.00 0.00 H new ATOM 0 HG23 THR A 87 -3.585 32.923 -7.066 1.00 0.00 H new ATOM 1360 N GLY A 88 -1.402 33.139 -2.842 1.00 0.00 N ATOM 1361 CA GLY A 88 -0.639 33.453 -1.663 1.00 0.00 C ATOM 1362 C GLY A 88 0.838 33.355 -1.905 1.00 0.00 C ATOM 1363 O GLY A 88 1.286 32.607 -2.777 1.00 0.00 O ATOM 0 H GLY A 88 -1.035 32.367 -3.399 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -0.885 34.461 -1.330 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.920 32.774 -0.858 1.00 0.00 H new ATOM 1367 N SER A 89 1.593 34.107 -1.158 1.00 0.00 N ATOM 1368 CA SER A 89 3.024 34.106 -1.310 1.00 0.00 C ATOM 1369 C SER A 89 3.696 34.303 0.011 1.00 0.00 C ATOM 1370 O SER A 89 3.170 34.991 0.900 1.00 0.00 O ATOM 1371 CB SER A 89 3.444 35.194 -2.310 1.00 0.00 C ATOM 1372 OG SER A 89 4.825 35.125 -2.613 1.00 0.00 O ATOM 0 H SER A 89 1.242 34.733 -0.433 1.00 0.00 H new ATOM 0 HA SER A 89 3.337 33.137 -1.700 1.00 0.00 H new ATOM 0 HB2 SER A 89 2.865 35.088 -3.227 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.211 36.176 -1.898 1.00 0.00 H new ATOM 0 HG SER A 89 5.112 34.188 -2.619 1.00 0.00 H new ATOM 1378 N LEU A 90 4.840 33.667 0.157 1.00 0.00 N ATOM 1379 CA LEU A 90 5.630 33.799 1.313 1.00 0.00 C ATOM 1380 C LEU A 90 6.188 35.225 1.360 1.00 0.00 C ATOM 1381 O LEU A 90 6.845 35.674 0.419 1.00 0.00 O ATOM 1382 CB LEU A 90 6.739 32.741 1.238 1.00 0.00 C ATOM 1383 CG LEU A 90 7.589 32.520 2.481 1.00 0.00 C ATOM 1384 CD1 LEU A 90 8.480 33.682 2.722 1.00 0.00 C ATOM 1385 CD2 LEU A 90 6.719 32.284 3.699 1.00 0.00 C ATOM 0 H LEU A 90 5.232 33.041 -0.546 1.00 0.00 H new ATOM 0 HA LEU A 90 5.059 33.639 2.227 1.00 0.00 H new ATOM 0 HB2 LEU A 90 6.278 31.790 0.973 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.406 33.011 0.419 1.00 0.00 H new ATOM 0 HG LEU A 90 8.200 31.634 2.309 1.00 0.00 H new ATOM 0 HD11 LEU A 90 9.078 33.503 3.615 1.00 0.00 H new ATOM 0 HD12 LEU A 90 9.139 33.819 1.865 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.878 34.579 2.863 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.351 32.129 4.573 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.079 33.151 3.863 1.00 0.00 H new ATOM 0 HD23 LEU A 90 6.100 31.402 3.538 1.00 0.00 H new ATOM 1397 N LYS A 91 5.909 35.935 2.445 1.00 0.00 N ATOM 1398 CA LYS A 91 6.367 37.310 2.584 1.00 0.00 C ATOM 1399 C LYS A 91 7.765 37.352 3.144 1.00 0.00 C ATOM 1400 O LYS A 91 8.638 38.046 2.617 1.00 0.00 O ATOM 1401 CB LYS A 91 5.432 38.111 3.490 1.00 0.00 C ATOM 1402 CG LYS A 91 4.043 38.324 2.920 1.00 0.00 C ATOM 1403 CD LYS A 91 3.220 39.251 3.801 1.00 0.00 C ATOM 1404 CE LYS A 91 2.951 38.636 5.164 1.00 0.00 C ATOM 1405 NZ LYS A 91 2.076 39.495 5.999 1.00 0.00 N ATOM 0 H LYS A 91 5.371 35.584 3.237 1.00 0.00 H new ATOM 0 HA LYS A 91 6.365 37.759 1.591 1.00 0.00 H new ATOM 0 HB2 LYS A 91 5.344 37.597 4.447 1.00 0.00 H new ATOM 0 HB3 LYS A 91 5.883 39.083 3.690 1.00 0.00 H new ATOM 0 HG2 LYS A 91 4.120 38.745 1.917 1.00 0.00 H new ATOM 0 HG3 LYS A 91 3.536 37.364 2.825 1.00 0.00 H new ATOM 0 HD2 LYS A 91 3.746 40.197 3.926 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.273 39.475 3.309 1.00 0.00 H new ATOM 0 HE2 LYS A 91 2.484 37.660 5.035 1.00 0.00 H new ATOM 0 HE3 LYS A 91 3.897 38.471 5.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 2.081 39.147 6.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 2.427 40.474 5.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 1.105 39.467 5.627 1.00 0.00 H new ATOM 1419 N ARG A 92 7.985 36.606 4.208 1.00 0.00 N ATOM 1420 CA ARG A 92 9.277 36.540 4.829 1.00 0.00 C ATOM 1421 C ARG A 92 9.367 35.316 5.707 1.00 0.00 C ATOM 1422 O ARG A 92 8.380 34.897 6.319 1.00 0.00 O ATOM 1423 CB ARG A 92 9.591 37.824 5.619 1.00 0.00 C ATOM 1424 CG ARG A 92 8.596 38.164 6.718 1.00 0.00 C ATOM 1425 CD ARG A 92 8.959 37.513 8.046 1.00 0.00 C ATOM 1426 NE ARG A 92 8.074 37.951 9.124 1.00 0.00 N ATOM 1427 CZ ARG A 92 8.481 38.216 10.368 1.00 0.00 C ATOM 1428 NH1 ARG A 92 9.758 38.036 10.711 1.00 0.00 N ATOM 1429 NH2 ARG A 92 7.611 38.653 11.271 1.00 0.00 N ATOM 0 H ARG A 92 7.271 36.034 4.659 1.00 0.00 H new ATOM 0 HA ARG A 92 10.030 36.459 4.046 1.00 0.00 H new ATOM 0 HB2 ARG A 92 10.581 37.725 6.064 1.00 0.00 H new ATOM 0 HB3 ARG A 92 9.637 38.660 4.921 1.00 0.00 H new ATOM 0 HG2 ARG A 92 8.554 39.246 6.845 1.00 0.00 H new ATOM 0 HG3 ARG A 92 7.600 37.840 6.417 1.00 0.00 H new ATOM 0 HD2 ARG A 92 8.903 36.429 7.947 1.00 0.00 H new ATOM 0 HD3 ARG A 92 9.990 37.757 8.301 1.00 0.00 H new ATOM 0 HE ARG A 92 7.082 38.061 8.912 1.00 0.00 H new ATOM 0 HH11 ARG A 92 10.428 37.695 10.022 1.00 0.00 H new ATOM 0 HH12 ARG A 92 10.064 38.240 11.662 1.00 0.00 H new ATOM 0 HH21 ARG A 92 6.633 38.786 11.014 1.00 0.00 H new ATOM 0 HH22 ARG A 92 7.921 38.856 12.221 1.00 0.00 H new ATOM 1443 N ALA A 93 10.525 34.740 5.740 1.00 0.00 N ATOM 1444 CA ALA A 93 10.782 33.564 6.531 1.00 0.00 C ATOM 1445 C ALA A 93 12.063 33.747 7.298 1.00 0.00 C ATOM 1446 O ALA A 93 12.954 34.477 6.857 1.00 0.00 O ATOM 1447 CB ALA A 93 10.862 32.329 5.642 1.00 0.00 C ATOM 0 H ALA A 93 11.334 35.071 5.214 1.00 0.00 H new ATOM 0 HA ALA A 93 9.962 33.420 7.235 1.00 0.00 H new ATOM 0 HB1 ALA A 93 11.057 31.450 6.257 1.00 0.00 H new ATOM 0 HB2 ALA A 93 9.918 32.200 5.113 1.00 0.00 H new ATOM 0 HB3 ALA A 93 11.669 32.452 4.920 1.00 0.00 H new ATOM 1453 N LEU A 94 12.169 33.104 8.434 1.00 0.00 N ATOM 1454 CA LEU A 94 13.354 33.218 9.245 1.00 0.00 C ATOM 1455 C LEU A 94 14.398 32.242 8.712 1.00 0.00 C ATOM 1456 O LEU A 94 14.083 31.404 7.863 1.00 0.00 O ATOM 1457 CB LEU A 94 13.020 32.912 10.708 1.00 0.00 C ATOM 1458 CG LEU A 94 13.808 33.702 11.754 1.00 0.00 C ATOM 1459 CD1 LEU A 94 13.480 35.187 11.661 1.00 0.00 C ATOM 1460 CD2 LEU A 94 13.514 33.177 13.151 1.00 0.00 C ATOM 0 H LEU A 94 11.447 32.495 8.818 1.00 0.00 H new ATOM 0 HA LEU A 94 13.748 34.233 9.198 1.00 0.00 H new ATOM 0 HB2 LEU A 94 11.958 33.099 10.864 1.00 0.00 H new ATOM 0 HB3 LEU A 94 13.186 31.849 10.883 1.00 0.00 H new ATOM 0 HG LEU A 94 14.872 33.572 11.554 1.00 0.00 H new ATOM 0 HD11 LEU A 94 14.050 35.733 12.413 1.00 0.00 H new ATOM 0 HD12 LEU A 94 13.741 35.556 10.669 1.00 0.00 H new ATOM 0 HD13 LEU A 94 12.414 35.336 11.835 1.00 0.00 H new ATOM 0 HD21 LEU A 94 14.083 33.751 13.883 1.00 0.00 H new ATOM 0 HD22 LEU A 94 12.449 33.277 13.361 1.00 0.00 H new ATOM 0 HD23 LEU A 94 13.799 32.127 13.212 1.00 0.00 H new ATOM 1472 N HIS A 95 15.625 32.340 9.191 1.00 0.00 N ATOM 1473 CA HIS A 95 16.684 31.455 8.714 1.00 0.00 C ATOM 1474 C HIS A 95 16.392 30.007 9.107 1.00 0.00 C ATOM 1475 O HIS A 95 16.806 29.072 8.425 1.00 0.00 O ATOM 1476 CB HIS A 95 18.047 31.897 9.254 1.00 0.00 C ATOM 1477 CG HIS A 95 19.207 31.225 8.590 1.00 0.00 C ATOM 1478 ND1 HIS A 95 20.106 30.433 9.261 1.00 0.00 N ATOM 1479 CD2 HIS A 95 19.623 31.249 7.304 1.00 0.00 C ATOM 1480 CE1 HIS A 95 21.024 30.001 8.421 1.00 0.00 C ATOM 1481 NE2 HIS A 95 20.752 30.482 7.226 1.00 0.00 N ATOM 0 H HIS A 95 15.915 33.013 9.901 1.00 0.00 H new ATOM 0 HA HIS A 95 16.714 31.516 7.626 1.00 0.00 H new ATOM 0 HB2 HIS A 95 18.144 32.976 9.130 1.00 0.00 H new ATOM 0 HB3 HIS A 95 18.086 31.695 10.324 1.00 0.00 H new ATOM 0 HD2 HIS A 95 19.151 31.777 6.489 1.00 0.00 H new ATOM 0 HE1 HIS A 95 21.858 29.361 8.670 1.00 0.00 H new ATOM 0 HE2 HIS A 95 21.295 30.310 6.380 1.00 0.00 H new ATOM 1490 N ASN A 96 15.658 29.836 10.198 1.00 0.00 N ATOM 1491 CA ASN A 96 15.263 28.511 10.657 1.00 0.00 C ATOM 1492 C ASN A 96 13.781 28.283 10.340 1.00 0.00 C ATOM 1493 O ASN A 96 13.000 27.827 11.186 1.00 0.00 O ATOM 1494 CB ASN A 96 15.516 28.360 12.166 1.00 0.00 C ATOM 1495 CG ASN A 96 15.538 26.903 12.623 1.00 0.00 C ATOM 1496 OD1 ASN A 96 14.925 26.025 12.005 1.00 0.00 O ATOM 1497 ND2 ASN A 96 16.238 26.636 13.708 1.00 0.00 N ATOM 0 H ASN A 96 15.323 30.601 10.784 1.00 0.00 H new ATOM 0 HA ASN A 96 15.863 27.763 10.138 1.00 0.00 H new ATOM 0 HB2 ASN A 96 16.467 28.829 12.418 1.00 0.00 H new ATOM 0 HB3 ASN A 96 14.741 28.896 12.714 1.00 0.00 H new ATOM 0 HD21 ASN A 96 16.286 25.681 14.062 1.00 0.00 H new ATOM 0 HD22 ASN A 96 16.732 27.385 14.193 1.00 0.00 H new ATOM 1504 N ALA A 97 13.399 28.629 9.128 1.00 0.00 N ATOM 1505 CA ALA A 97 12.032 28.454 8.670 1.00 0.00 C ATOM 1506 C ALA A 97 12.011 28.224 7.170 1.00 0.00 C ATOM 1507 O ALA A 97 12.396 29.098 6.396 1.00 0.00 O ATOM 1508 CB ALA A 97 11.187 29.668 9.035 1.00 0.00 C ATOM 0 H ALA A 97 14.023 29.038 8.433 1.00 0.00 H new ATOM 0 HA ALA A 97 11.607 27.581 9.164 1.00 0.00 H new ATOM 0 HB1 ALA A 97 10.166 29.519 8.684 1.00 0.00 H new ATOM 0 HB2 ALA A 97 11.184 29.797 10.117 1.00 0.00 H new ATOM 0 HB3 ALA A 97 11.606 30.558 8.565 1.00 0.00 H new ATOM 1514 N GLU A 98 11.585 27.049 6.766 1.00 0.00 N ATOM 1515 CA GLU A 98 11.531 26.702 5.359 1.00 0.00 C ATOM 1516 C GLU A 98 10.102 26.770 4.847 1.00 0.00 C ATOM 1517 O GLU A 98 9.233 26.019 5.303 1.00 0.00 O ATOM 1518 CB GLU A 98 12.100 25.309 5.138 1.00 0.00 C ATOM 1519 CG GLU A 98 13.553 25.175 5.539 1.00 0.00 C ATOM 1520 CD GLU A 98 14.071 23.779 5.338 1.00 0.00 C ATOM 1521 OE1 GLU A 98 14.490 23.453 4.208 1.00 0.00 O ATOM 1522 OE2 GLU A 98 14.065 22.999 6.306 1.00 0.00 O ATOM 0 H GLU A 98 11.268 26.311 7.395 1.00 0.00 H new ATOM 0 HA GLU A 98 12.133 27.421 4.804 1.00 0.00 H new ATOM 0 HB2 GLU A 98 11.508 24.590 5.705 1.00 0.00 H new ATOM 0 HB3 GLU A 98 11.997 25.047 4.085 1.00 0.00 H new ATOM 0 HG2 GLU A 98 14.155 25.872 4.955 1.00 0.00 H new ATOM 0 HG3 GLU A 98 13.666 25.456 6.586 1.00 0.00 H new ATOM 1529 N CYS A 99 9.860 27.660 3.902 1.00 0.00 N ATOM 1530 CA CYS A 99 8.529 27.846 3.361 1.00 0.00 C ATOM 1531 C CYS A 99 8.564 28.087 1.856 1.00 0.00 C ATOM 1532 O CYS A 99 9.509 28.685 1.327 1.00 0.00 O ATOM 1533 CB CYS A 99 7.842 29.025 4.039 1.00 0.00 C ATOM 1534 SG CYS A 99 7.526 28.815 5.820 1.00 0.00 S ATOM 0 H CYS A 99 10.571 28.266 3.493 1.00 0.00 H new ATOM 0 HA CYS A 99 7.970 26.930 3.553 1.00 0.00 H new ATOM 0 HB2 CYS A 99 8.456 29.914 3.897 1.00 0.00 H new ATOM 0 HB3 CYS A 99 6.893 29.210 3.537 1.00 0.00 H new ATOM 1539 N GLN A 100 7.543 27.592 1.183 1.00 0.00 N ATOM 1540 CA GLN A 100 7.376 27.807 -0.245 1.00 0.00 C ATOM 1541 C GLN A 100 7.100 29.281 -0.532 1.00 0.00 C ATOM 1542 O GLN A 100 6.504 29.978 0.277 1.00 0.00 O ATOM 1543 CB GLN A 100 6.238 26.943 -0.805 1.00 0.00 C ATOM 1544 CG GLN A 100 4.862 27.278 -0.246 1.00 0.00 C ATOM 1545 CD GLN A 100 4.509 26.484 1.009 1.00 0.00 C ATOM 1546 OE1 GLN A 100 5.372 26.125 1.807 1.00 0.00 O ATOM 1547 NE2 GLN A 100 3.234 26.204 1.187 1.00 0.00 N ATOM 0 H GLN A 100 6.806 27.030 1.608 1.00 0.00 H new ATOM 0 HA GLN A 100 8.303 27.515 -0.738 1.00 0.00 H new ATOM 0 HB2 GLN A 100 6.213 27.054 -1.889 1.00 0.00 H new ATOM 0 HB3 GLN A 100 6.457 25.896 -0.597 1.00 0.00 H new ATOM 0 HG2 GLN A 100 4.820 28.343 -0.017 1.00 0.00 H new ATOM 0 HG3 GLN A 100 4.110 27.087 -1.012 1.00 0.00 H new ATOM 0 HE21 GLN A 100 2.543 26.517 0.505 1.00 0.00 H new ATOM 0 HE22 GLN A 100 2.938 25.674 2.007 1.00 0.00 H new ATOM 1556 N LYS A 101 7.520 29.724 -1.696 1.00 0.00 N ATOM 1557 CA LYS A 101 7.458 31.108 -2.079 1.00 0.00 C ATOM 1558 C LYS A 101 6.050 31.506 -2.467 1.00 0.00 C ATOM 1559 O LYS A 101 5.621 32.620 -2.189 1.00 0.00 O ATOM 1560 CB LYS A 101 8.427 31.360 -3.238 1.00 0.00 C ATOM 1561 CG LYS A 101 8.530 32.811 -3.669 1.00 0.00 C ATOM 1562 CD LYS A 101 9.605 32.987 -4.731 1.00 0.00 C ATOM 1563 CE LYS A 101 9.912 34.454 -4.988 1.00 0.00 C ATOM 1564 NZ LYS A 101 8.723 35.210 -5.453 1.00 0.00 N ATOM 0 H LYS A 101 7.920 29.118 -2.412 1.00 0.00 H new ATOM 0 HA LYS A 101 7.749 31.720 -1.225 1.00 0.00 H new ATOM 0 HB2 LYS A 101 9.418 31.009 -2.949 1.00 0.00 H new ATOM 0 HB3 LYS A 101 8.114 30.762 -4.093 1.00 0.00 H new ATOM 0 HG2 LYS A 101 7.569 33.148 -4.059 1.00 0.00 H new ATOM 0 HG3 LYS A 101 8.760 33.435 -2.806 1.00 0.00 H new ATOM 0 HD2 LYS A 101 10.514 32.475 -4.416 1.00 0.00 H new ATOM 0 HD3 LYS A 101 9.280 32.516 -5.659 1.00 0.00 H new ATOM 0 HE2 LYS A 101 10.292 34.908 -4.073 1.00 0.00 H new ATOM 0 HE3 LYS A 101 10.702 34.531 -5.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 9.006 36.177 -5.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 8.313 34.736 -6.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 8.016 35.247 -4.691 1.00 0.00 H new ATOM 1578 N THR A 102 5.328 30.610 -3.107 1.00 0.00 N ATOM 1579 CA THR A 102 3.981 30.941 -3.503 1.00 0.00 C ATOM 1580 C THR A 102 3.059 29.718 -3.608 1.00 0.00 C ATOM 1581 O THR A 102 3.492 28.598 -3.895 1.00 0.00 O ATOM 1582 CB THR A 102 3.971 31.752 -4.830 1.00 0.00 C ATOM 1583 OG1 THR A 102 2.627 32.014 -5.262 1.00 0.00 O ATOM 1584 CG2 THR A 102 4.744 31.026 -5.924 1.00 0.00 C ATOM 0 H THR A 102 5.642 29.672 -3.357 1.00 0.00 H new ATOM 0 HA THR A 102 3.578 31.564 -2.704 1.00 0.00 H new ATOM 0 HB THR A 102 4.464 32.705 -4.637 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.073 32.245 -4.487 1.00 0.00 H new ATOM 0 HG21 THR A 102 4.720 31.617 -6.840 1.00 0.00 H new ATOM 0 HG22 THR A 102 5.778 30.888 -5.608 1.00 0.00 H new ATOM 0 HG23 THR A 102 4.288 30.053 -6.107 1.00 0.00 H new ATOM 1592 N VAL A 103 1.789 29.979 -3.336 1.00 0.00 N ATOM 1593 CA VAL A 103 0.732 28.978 -3.409 1.00 0.00 C ATOM 1594 C VAL A 103 -0.512 29.517 -4.083 1.00 0.00 C ATOM 1595 O VAL A 103 -0.885 30.674 -3.907 1.00 0.00 O ATOM 1596 CB VAL A 103 0.351 28.413 -2.016 1.00 0.00 C ATOM 1597 CG1 VAL A 103 1.476 27.570 -1.450 1.00 0.00 C ATOM 1598 CG2 VAL A 103 -0.005 29.540 -1.050 1.00 0.00 C ATOM 0 H VAL A 103 1.458 30.902 -3.055 1.00 0.00 H new ATOM 0 HA VAL A 103 1.141 28.167 -4.011 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.526 27.778 -2.142 1.00 0.00 H new ATOM 0 HG11 VAL A 103 1.186 27.185 -0.473 1.00 0.00 H new ATOM 0 HG12 VAL A 103 1.680 26.737 -2.123 1.00 0.00 H new ATOM 0 HG13 VAL A 103 2.373 28.181 -1.347 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -0.269 29.118 -0.080 1.00 0.00 H new ATOM 0 HG22 VAL A 103 0.851 30.205 -0.936 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -0.852 30.102 -1.443 1.00 0.00 H new ATOM 1608 N THR A 104 -1.117 28.677 -4.880 1.00 0.00 N ATOM 1609 CA THR A 104 -2.336 29.021 -5.556 1.00 0.00 C ATOM 1610 C THR A 104 -3.377 27.932 -5.315 1.00 0.00 C ATOM 1611 O THR A 104 -3.061 26.738 -5.350 1.00 0.00 O ATOM 1612 CB THR A 104 -2.094 29.227 -7.068 1.00 0.00 C ATOM 1613 OG1 THR A 104 -3.294 29.673 -7.718 1.00 0.00 O ATOM 1614 CG2 THR A 104 -1.606 27.948 -7.725 1.00 0.00 C ATOM 0 H THR A 104 -0.778 27.736 -5.078 1.00 0.00 H new ATOM 0 HA THR A 104 -2.708 29.964 -5.154 1.00 0.00 H new ATOM 0 HB THR A 104 -1.324 29.991 -7.175 1.00 0.00 H new ATOM 0 HG1 THR A 104 -3.120 29.799 -8.674 1.00 0.00 H new ATOM 0 HG21 THR A 104 -1.445 28.124 -8.789 1.00 0.00 H new ATOM 0 HG22 THR A 104 -0.670 27.636 -7.263 1.00 0.00 H new ATOM 0 HG23 THR A 104 -2.353 27.165 -7.596 1.00 0.00 H new ATOM 1622 N ILE A 105 -4.597 28.326 -5.039 1.00 0.00 N ATOM 1623 CA ILE A 105 -5.643 27.363 -4.762 1.00 0.00 C ATOM 1624 C ILE A 105 -6.959 27.783 -5.393 1.00 0.00 C ATOM 1625 O ILE A 105 -7.306 28.967 -5.418 1.00 0.00 O ATOM 1626 CB ILE A 105 -5.828 27.134 -3.236 1.00 0.00 C ATOM 1627 CG1 ILE A 105 -6.935 26.102 -2.964 1.00 0.00 C ATOM 1628 CG2 ILE A 105 -6.117 28.444 -2.517 1.00 0.00 C ATOM 1629 CD1 ILE A 105 -7.119 25.771 -1.496 1.00 0.00 C ATOM 0 H ILE A 105 -4.892 29.302 -5.000 1.00 0.00 H new ATOM 0 HA ILE A 105 -5.330 26.419 -5.208 1.00 0.00 H new ATOM 0 HB ILE A 105 -4.893 26.736 -2.843 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -7.877 26.480 -3.362 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -6.705 25.185 -3.507 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -6.242 28.254 -1.451 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -5.286 29.133 -2.668 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -7.030 28.885 -2.917 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -7.917 25.037 -1.386 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.191 25.361 -1.096 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -7.381 26.677 -0.949 1.00 0.00 H new ATOM 1641 N SER A 106 -7.665 26.810 -5.914 1.00 0.00 N ATOM 1642 CA SER A 106 -8.938 27.047 -6.556 1.00 0.00 C ATOM 1643 C SER A 106 -10.036 26.261 -5.845 1.00 0.00 C ATOM 1644 O SER A 106 -9.910 25.050 -5.640 1.00 0.00 O ATOM 1645 CB SER A 106 -8.861 26.632 -8.022 1.00 0.00 C ATOM 1646 OG SER A 106 -7.763 27.260 -8.672 1.00 0.00 O ATOM 0 H SER A 106 -7.375 25.832 -5.906 1.00 0.00 H new ATOM 0 HA SER A 106 -9.175 28.109 -6.499 1.00 0.00 H new ATOM 0 HB2 SER A 106 -8.759 25.549 -8.092 1.00 0.00 H new ATOM 0 HB3 SER A 106 -9.789 26.898 -8.528 1.00 0.00 H new ATOM 0 HG SER A 106 -7.733 26.978 -9.610 1.00 0.00 H new ATOM 1652 N LYS A 107 -11.103 26.941 -5.481 1.00 0.00 N ATOM 1653 CA LYS A 107 -12.212 26.326 -4.782 1.00 0.00 C ATOM 1654 C LYS A 107 -13.533 26.703 -5.445 1.00 0.00 C ATOM 1655 O LYS A 107 -13.896 27.876 -5.493 1.00 0.00 O ATOM 1656 CB LYS A 107 -12.220 26.761 -3.313 1.00 0.00 C ATOM 1657 CG LYS A 107 -13.336 26.134 -2.488 1.00 0.00 C ATOM 1658 CD LYS A 107 -13.351 26.682 -1.073 1.00 0.00 C ATOM 1659 CE LYS A 107 -14.486 26.084 -0.258 1.00 0.00 C ATOM 1660 NZ LYS A 107 -14.317 24.623 -0.051 1.00 0.00 N ATOM 0 H LYS A 107 -11.226 27.937 -5.662 1.00 0.00 H new ATOM 0 HA LYS A 107 -12.093 25.244 -4.829 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -11.261 26.504 -2.863 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -12.313 27.846 -3.266 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -14.297 26.328 -2.965 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -13.206 25.052 -2.460 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -12.399 26.466 -0.587 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -13.455 27.767 -1.102 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -14.539 26.583 0.710 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -15.433 26.271 -0.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -15.014 24.288 0.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -14.462 24.126 -0.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -13.357 24.431 0.300 1.00 0.00 H new ATOM 1674 N PRO A 108 -14.244 25.710 -5.998 1.00 0.00 N ATOM 1675 CA PRO A 108 -15.547 25.933 -6.637 1.00 0.00 C ATOM 1676 C PRO A 108 -16.506 26.708 -5.732 1.00 0.00 C ATOM 1677 O PRO A 108 -16.716 26.333 -4.574 1.00 0.00 O ATOM 1678 CB PRO A 108 -16.070 24.516 -6.871 1.00 0.00 C ATOM 1679 CG PRO A 108 -14.844 23.679 -6.981 1.00 0.00 C ATOM 1680 CD PRO A 108 -13.836 24.294 -6.052 1.00 0.00 C ATOM 0 HA PRO A 108 -15.462 26.528 -7.546 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -16.703 24.186 -6.048 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -16.672 24.460 -7.778 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -15.051 22.646 -6.703 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -14.472 23.665 -8.006 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -13.862 23.830 -5.066 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -12.820 24.182 -6.430 1.00 0.00 H new ATOM 1688 N CYS A 109 -17.071 27.789 -6.261 1.00 0.00 N ATOM 1689 CA CYS A 109 -18.000 28.618 -5.495 1.00 0.00 C ATOM 1690 C CYS A 109 -19.268 27.848 -5.170 1.00 0.00 C ATOM 1691 O CYS A 109 -19.693 27.789 -4.014 1.00 0.00 O ATOM 1692 CB CYS A 109 -18.331 29.912 -6.250 1.00 0.00 C ATOM 1693 SG CYS A 109 -16.922 31.058 -6.403 1.00 0.00 S ATOM 0 H CYS A 109 -16.904 28.112 -7.214 1.00 0.00 H new ATOM 0 HA CYS A 109 -17.515 28.888 -4.557 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -18.690 29.658 -7.247 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -19.147 30.421 -5.738 1.00 0.00 H new ATOM 1698 N GLY A 110 -19.852 27.243 -6.185 1.00 0.00 N ATOM 1699 CA GLY A 110 -21.049 26.470 -5.994 1.00 0.00 C ATOM 1700 C GLY A 110 -21.475 25.783 -7.263 1.00 0.00 C ATOM 1701 O GLY A 110 -21.519 26.403 -8.322 1.00 0.00 O ATOM 0 H GLY A 110 -19.513 27.275 -7.146 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -20.881 25.726 -5.216 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -21.851 27.121 -5.645 1.00 0.00 H new