USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 659 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 Single : A 19 HIS : no HD1:sc= -0.422 K(o=-0.42,f=-1.8!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot -87:sc= 0.046 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 CYS SG : rot 30:sc= 1.43 USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 65 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0214) USER MOD Single : A 69 GLN : amide:sc= -0.0569 X(o=-0.057,f=-0.057) USER MOD Single : A 71 LYS NZ :NH3+ -169:sc= -2.32! (180deg=-2.98!) USER MOD Single : A 72 SER OG : rot -176:sc= 0.591 USER MOD Single : A 74 THR OG1 : rot 100:sc= -1.03 USER MOD Single : A 80 SER OG : rot -77:sc= 1.28 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 84 LYS NZ :NH3+ -169:sc= -1.85 (180deg=-2.02) USER MOD Single : A 85 ASN : amide:sc= 0.172 K(o=0.17,f=-0.79) USER MOD Single : A 86 LYS NZ :NH3+ -165:sc= 0.254 (180deg=0.118) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 GLN : amide:sc= -0.0214 K(o=-0.021,f=-1.3) USER MOD Single : A 98 MET CE :methyl 141:sc= -1.57 (180deg=-3.85!) USER MOD Single : A 100 HIS :FLIP no HD1:sc= -2.49 F(o=-4.4,f=-2.5) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 THR OG1 : rot -77:sc= 0.962 USER MOD Single : A 109 ASN : amide:sc= -0.0359 K(o=-0.036,f=-1) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 224 N HIS A 19 0.409 -1.282 10.742 1.00 0.00 N ATOM 225 CA HIS A 19 -0.577 -1.439 9.681 1.00 0.00 C ATOM 226 C HIS A 19 -0.961 -2.901 9.498 1.00 0.00 C ATOM 227 O HIS A 19 -1.417 -3.288 8.436 1.00 0.00 O ATOM 228 CB HIS A 19 -0.040 -0.865 8.364 1.00 0.00 C ATOM 229 CG HIS A 19 0.208 0.613 8.415 1.00 0.00 C ATOM 230 ND1 HIS A 19 1.379 1.179 8.872 1.00 0.00 N ATOM 231 CD2 HIS A 19 -0.597 1.647 8.069 1.00 0.00 C ATOM 232 CE1 HIS A 19 1.249 2.510 8.791 1.00 0.00 C ATOM 233 NE2 HIS A 19 0.069 2.846 8.311 1.00 0.00 N ATOM 0 HA HIS A 19 -1.471 -0.887 9.970 1.00 0.00 H new ATOM 0 HB2 HIS A 19 0.890 -1.373 8.107 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -0.751 -1.079 7.566 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -1.596 1.556 7.669 1.00 0.00 H new ATOM 0 HE1 HIS A 19 2.013 3.216 9.082 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -0.284 3.789 8.150 1.00 0.00 H new ATOM 240 N THR A 20 -0.740 -3.714 10.527 1.00 0.00 N ATOM 241 CA THR A 20 -1.055 -5.142 10.460 1.00 0.00 C ATOM 242 C THR A 20 -2.561 -5.403 10.598 1.00 0.00 C ATOM 243 O THR A 20 -3.176 -5.019 11.595 1.00 0.00 O ATOM 244 CB THR A 20 -0.318 -5.915 11.575 1.00 0.00 C ATOM 245 OG1 THR A 20 1.083 -5.627 11.526 1.00 0.00 O ATOM 246 CG2 THR A 20 -0.526 -7.418 11.434 1.00 0.00 C ATOM 0 H THR A 20 -0.345 -3.411 11.417 1.00 0.00 H new ATOM 0 HA THR A 20 -0.725 -5.490 9.481 1.00 0.00 H new ATOM 0 HB THR A 20 -0.730 -5.594 12.532 1.00 0.00 H new ATOM 0 HG1 THR A 20 1.543 -6.120 12.237 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.005 -7.935 12.233 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.590 -7.646 11.498 1.00 0.00 H new ATOM 0 HG23 THR A 20 -0.142 -7.750 10.469 1.00 0.00 H new ATOM 254 N LEU A 21 -3.140 -6.069 9.593 1.00 0.00 N ATOM 255 CA LEU A 21 -4.565 -6.409 9.596 1.00 0.00 C ATOM 256 C LEU A 21 -4.861 -7.480 8.544 1.00 0.00 C ATOM 257 O LEU A 21 -4.017 -7.772 7.698 1.00 0.00 O ATOM 258 CB LEU A 21 -5.424 -5.169 9.340 1.00 0.00 C ATOM 259 CG LEU A 21 -6.527 -4.914 10.370 1.00 0.00 C ATOM 260 CD1 LEU A 21 -6.376 -3.527 10.980 1.00 0.00 C ATOM 261 CD2 LEU A 21 -7.902 -5.071 9.736 1.00 0.00 C ATOM 0 H LEU A 21 -2.639 -6.385 8.763 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.815 -6.803 10.581 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.772 -4.296 9.306 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.883 -5.262 8.356 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.431 -5.654 11.165 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.168 -3.362 11.710 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.407 -3.450 11.473 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.445 -2.775 10.194 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.672 -4.886 10.485 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -8.010 -4.356 8.920 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.010 -6.084 9.348 1.00 0.00 H new ATOM 273 N LEU A 22 -6.053 -8.075 8.619 1.00 0.00 N ATOM 274 CA LEU A 22 -6.462 -9.128 7.683 1.00 0.00 C ATOM 275 C LEU A 22 -6.563 -8.633 6.233 1.00 0.00 C ATOM 276 O LEU A 22 -6.016 -9.253 5.320 1.00 0.00 O ATOM 277 CB LEU A 22 -7.814 -9.709 8.120 1.00 0.00 C ATOM 278 CG LEU A 22 -8.394 -10.795 7.207 1.00 0.00 C ATOM 279 CD1 LEU A 22 -7.476 -12.008 7.157 1.00 0.00 C ATOM 280 CD2 LEU A 22 -9.784 -11.197 7.675 1.00 0.00 C ATOM 0 H LEU A 22 -6.756 -7.845 9.321 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.688 -9.895 7.708 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.705 -10.123 9.123 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.535 -8.894 8.188 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.472 -10.387 6.199 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.909 -12.765 6.503 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.501 -11.710 6.772 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.360 -12.418 8.160 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -10.181 -11.969 7.016 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.728 -11.583 8.693 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -10.441 -10.328 7.653 1.00 0.00 H new ATOM 292 N PHE A 23 -7.262 -7.519 6.023 1.00 0.00 N ATOM 293 CA PHE A 23 -7.437 -6.965 4.677 1.00 0.00 C ATOM 294 C PHE A 23 -6.258 -6.083 4.284 1.00 0.00 C ATOM 295 O PHE A 23 -5.881 -6.001 3.114 1.00 0.00 O ATOM 296 CB PHE A 23 -8.738 -6.159 4.598 1.00 0.00 C ATOM 297 CG PHE A 23 -9.976 -6.991 4.784 1.00 0.00 C ATOM 298 CD1 PHE A 23 -10.556 -7.122 6.035 1.00 0.00 C ATOM 299 CD2 PHE A 23 -10.559 -7.641 3.707 1.00 0.00 C ATOM 300 CE1 PHE A 23 -11.694 -7.886 6.210 1.00 0.00 C ATOM 301 CE2 PHE A 23 -11.697 -8.406 3.877 1.00 0.00 C ATOM 302 CZ PHE A 23 -12.265 -8.530 5.128 1.00 0.00 C ATOM 0 H PHE A 23 -7.716 -6.983 6.763 1.00 0.00 H new ATOM 0 HA PHE A 23 -7.488 -7.800 3.978 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -8.718 -5.378 5.358 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -8.788 -5.660 3.630 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -10.114 -6.621 6.883 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -10.119 -7.548 2.725 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -12.137 -7.980 7.191 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -12.142 -8.907 3.030 1.00 0.00 H new ATOM 0 HZ PHE A 23 -13.154 -9.129 5.262 1.00 0.00 H new ATOM 312 N ASP A 24 -5.705 -5.409 5.274 1.00 0.00 N ATOM 313 CA ASP A 24 -4.567 -4.521 5.082 1.00 0.00 C ATOM 314 C ASP A 24 -3.338 -5.071 5.784 1.00 0.00 C ATOM 315 O ASP A 24 -2.973 -4.587 6.843 1.00 0.00 O ATOM 316 CB ASP A 24 -4.841 -3.076 5.538 1.00 0.00 C ATOM 317 CG ASP A 24 -5.656 -2.970 6.816 1.00 0.00 C ATOM 318 OD1 ASP A 24 -6.793 -3.494 6.849 1.00 0.00 O ATOM 319 OD2 ASP A 24 -5.163 -2.354 7.782 1.00 0.00 O ATOM 0 H ASP A 24 -6.031 -5.460 6.239 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.386 -4.480 4.008 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.889 -2.566 5.684 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.365 -2.549 4.741 1.00 0.00 H new ATOM 324 N LEU A 25 -2.763 -6.139 5.227 1.00 0.00 N ATOM 325 CA LEU A 25 -1.557 -6.768 5.785 1.00 0.00 C ATOM 326 C LEU A 25 -0.489 -5.715 6.137 1.00 0.00 C ATOM 327 O LEU A 25 -0.503 -4.613 5.588 1.00 0.00 O ATOM 328 CB LEU A 25 -0.991 -7.777 4.779 1.00 0.00 C ATOM 329 CG LEU A 25 -1.802 -9.066 4.627 1.00 0.00 C ATOM 330 CD1 LEU A 25 -1.276 -9.902 3.473 1.00 0.00 C ATOM 331 CD2 LEU A 25 -1.783 -9.869 5.919 1.00 0.00 C ATOM 0 H LEU A 25 -3.114 -6.592 4.383 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.833 -7.284 6.705 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.919 -7.294 3.804 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.023 -8.038 5.081 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.834 -8.792 4.408 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.868 -10.813 3.384 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.348 -9.331 2.547 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.234 -10.163 3.658 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.365 -10.781 5.789 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.755 -10.128 6.171 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.215 -9.274 6.724 1.00 0.00 H new ATOM 343 N PRO A 26 0.442 -6.056 7.073 1.00 0.00 N ATOM 344 CA PRO A 26 1.521 -5.165 7.558 1.00 0.00 C ATOM 345 C PRO A 26 2.154 -4.263 6.486 1.00 0.00 C ATOM 346 O PRO A 26 2.050 -4.531 5.287 1.00 0.00 O ATOM 347 CB PRO A 26 2.576 -6.150 8.105 1.00 0.00 C ATOM 348 CG PRO A 26 1.997 -7.523 7.953 1.00 0.00 C ATOM 349 CD PRO A 26 0.522 -7.352 7.745 1.00 0.00 C ATOM 0 HA PRO A 26 1.123 -4.457 8.285 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.512 -6.061 7.554 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.800 -5.937 9.150 1.00 0.00 H new ATOM 0 HG2 PRO A 26 2.449 -8.041 7.107 1.00 0.00 H new ATOM 0 HG3 PRO A 26 2.195 -8.126 8.839 1.00 0.00 H new ATOM 0 HD2 PRO A 26 0.104 -8.152 7.134 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -0.023 -7.353 8.689 1.00 0.00 H new ATOM 357 N PRO A 27 2.865 -3.186 6.931 1.00 0.00 N ATOM 358 CA PRO A 27 3.519 -2.203 6.053 1.00 0.00 C ATOM 359 C PRO A 27 4.382 -2.798 4.945 1.00 0.00 C ATOM 360 O PRO A 27 4.826 -2.075 4.070 1.00 0.00 O ATOM 361 CB PRO A 27 4.414 -1.405 6.991 1.00 0.00 C ATOM 362 CG PRO A 27 3.730 -1.476 8.297 1.00 0.00 C ATOM 363 CD PRO A 27 3.053 -2.822 8.349 1.00 0.00 C ATOM 0 HA PRO A 27 2.755 -1.628 5.529 1.00 0.00 H new ATOM 0 HB2 PRO A 27 5.416 -1.831 7.043 1.00 0.00 H new ATOM 0 HB3 PRO A 27 4.523 -0.374 6.655 1.00 0.00 H new ATOM 0 HG2 PRO A 27 4.442 -1.367 9.115 1.00 0.00 H new ATOM 0 HG3 PRO A 27 3.002 -0.671 8.399 1.00 0.00 H new ATOM 0 HD2 PRO A 27 3.666 -3.557 8.871 1.00 0.00 H new ATOM 0 HD3 PRO A 27 2.101 -2.769 8.877 1.00 0.00 H new ATOM 371 N ALA A 28 4.622 -4.101 4.980 1.00 0.00 N ATOM 372 CA ALA A 28 5.440 -4.755 3.971 1.00 0.00 C ATOM 373 C ALA A 28 4.913 -4.463 2.564 1.00 0.00 C ATOM 374 O ALA A 28 5.693 -4.339 1.620 1.00 0.00 O ATOM 375 CB ALA A 28 5.477 -6.256 4.220 1.00 0.00 C ATOM 0 H ALA A 28 4.260 -4.727 5.699 1.00 0.00 H new ATOM 0 HA ALA A 28 6.453 -4.358 4.042 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.092 -6.736 3.459 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.901 -6.451 5.205 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.465 -6.657 4.175 1.00 0.00 H new ATOM 381 N LEU A 29 3.591 -4.359 2.419 1.00 0.00 N ATOM 382 CA LEU A 29 3.014 -4.062 1.114 1.00 0.00 C ATOM 383 C LEU A 29 2.442 -2.642 1.027 1.00 0.00 C ATOM 384 O LEU A 29 3.084 -1.747 0.491 1.00 0.00 O ATOM 385 CB LEU A 29 1.922 -5.069 0.768 1.00 0.00 C ATOM 386 CG LEU A 29 1.983 -5.611 -0.655 1.00 0.00 C ATOM 387 CD1 LEU A 29 3.363 -6.184 -0.942 1.00 0.00 C ATOM 388 CD2 LEU A 29 0.907 -6.662 -0.872 1.00 0.00 C ATOM 0 H LEU A 29 2.915 -4.474 3.174 1.00 0.00 H new ATOM 0 HA LEU A 29 3.829 -4.135 0.394 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.985 -5.906 1.464 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.951 -4.598 0.922 1.00 0.00 H new ATOM 0 HG LEU A 29 1.800 -4.790 -1.349 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.393 -6.568 -1.962 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.113 -5.402 -0.827 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.573 -6.994 -0.243 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.966 -7.038 -1.894 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.056 -7.485 -0.174 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.074 -6.218 -0.705 1.00 0.00 H new ATOM 400 N LEU A 30 1.247 -2.435 1.590 1.00 0.00 N ATOM 401 CA LEU A 30 0.571 -1.133 1.521 1.00 0.00 C ATOM 402 C LEU A 30 1.364 -0.011 2.195 1.00 0.00 C ATOM 403 O LEU A 30 1.561 1.044 1.598 1.00 0.00 O ATOM 404 CB LEU A 30 -0.825 -1.224 2.165 1.00 0.00 C ATOM 405 CG LEU A 30 -1.650 0.069 2.137 1.00 0.00 C ATOM 406 CD1 LEU A 30 -1.953 0.490 0.707 1.00 0.00 C ATOM 407 CD2 LEU A 30 -2.938 -0.104 2.928 1.00 0.00 C ATOM 0 H LEU A 30 0.728 -3.151 2.098 1.00 0.00 H new ATOM 0 HA LEU A 30 0.487 -0.885 0.463 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.390 -2.006 1.658 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.708 -1.537 3.202 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.060 0.858 2.604 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.539 1.409 0.715 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.019 0.660 0.172 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.519 -0.297 0.208 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.511 0.823 2.898 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.528 -0.910 2.491 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.699 -0.349 3.963 1.00 0.00 H new ATOM 419 N GLY A 31 1.837 -0.247 3.418 1.00 0.00 N ATOM 420 CA GLY A 31 2.567 0.787 4.146 1.00 0.00 C ATOM 421 C GLY A 31 3.843 1.255 3.457 1.00 0.00 C ATOM 422 O GLY A 31 4.038 2.454 3.239 1.00 0.00 O ATOM 0 H GLY A 31 1.730 -1.130 3.918 1.00 0.00 H new ATOM 0 HA2 GLY A 31 1.911 1.645 4.291 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.820 0.408 5.136 1.00 0.00 H new ATOM 426 N GLU A 32 4.691 0.307 3.090 1.00 0.00 N ATOM 427 CA GLU A 32 5.968 0.599 2.451 1.00 0.00 C ATOM 428 C GLU A 32 5.811 1.125 1.024 1.00 0.00 C ATOM 429 O GLU A 32 6.477 2.088 0.640 1.00 0.00 O ATOM 430 CB GLU A 32 6.829 -0.667 2.460 1.00 0.00 C ATOM 431 CG GLU A 32 8.222 -0.490 1.869 1.00 0.00 C ATOM 432 CD GLU A 32 9.129 0.355 2.741 1.00 0.00 C ATOM 433 OE1 GLU A 32 8.710 0.731 3.857 1.00 0.00 O ATOM 434 OE2 GLU A 32 10.268 0.623 2.317 1.00 0.00 O ATOM 0 H GLU A 32 4.515 -0.688 3.226 1.00 0.00 H new ATOM 0 HA GLU A 32 6.452 1.393 3.019 1.00 0.00 H new ATOM 0 HB2 GLU A 32 6.926 -1.017 3.488 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.309 -1.448 1.905 1.00 0.00 H new ATOM 0 HG2 GLU A 32 8.676 -1.470 1.723 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.138 -0.028 0.885 1.00 0.00 H new ATOM 441 N LEU A 33 4.934 0.500 0.242 1.00 0.00 N ATOM 442 CA LEU A 33 4.740 0.907 -1.148 1.00 0.00 C ATOM 443 C LEU A 33 4.085 2.284 -1.268 1.00 0.00 C ATOM 444 O LEU A 33 4.453 3.065 -2.142 1.00 0.00 O ATOM 445 CB LEU A 33 3.944 -0.147 -1.928 1.00 0.00 C ATOM 446 CG LEU A 33 4.665 -1.488 -2.110 1.00 0.00 C ATOM 447 CD1 LEU A 33 3.748 -2.506 -2.770 1.00 0.00 C ATOM 448 CD2 LEU A 33 5.938 -1.304 -2.921 1.00 0.00 C ATOM 0 H LEU A 33 4.352 -0.282 0.542 1.00 0.00 H new ATOM 0 HA LEU A 33 5.732 0.987 -1.592 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.000 -0.324 -1.413 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.700 0.255 -2.911 1.00 0.00 H new ATOM 0 HG LEU A 33 4.939 -1.866 -1.125 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.279 -3.450 -2.890 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.868 -2.661 -2.146 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.439 -2.137 -3.748 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.436 -2.266 -3.040 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.689 -0.901 -3.903 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.603 -0.613 -2.403 1.00 0.00 H new ATOM 460 N CYS A 34 3.119 2.590 -0.404 1.00 0.00 N ATOM 461 CA CYS A 34 2.446 3.888 -0.474 1.00 0.00 C ATOM 462 C CYS A 34 3.358 5.024 -0.005 1.00 0.00 C ATOM 463 O CYS A 34 3.246 6.152 -0.485 1.00 0.00 O ATOM 464 CB CYS A 34 1.156 3.894 0.357 1.00 0.00 C ATOM 465 SG CYS A 34 1.411 3.954 2.146 1.00 0.00 S ATOM 0 H CYS A 34 2.789 1.973 0.338 1.00 0.00 H new ATOM 0 HA CYS A 34 2.195 4.052 -1.522 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.553 4.752 0.061 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.580 3.001 0.115 1.00 0.00 H new ATOM 0 HG CYS A 34 1.550 2.746 2.605 1.00 0.00 H new ATOM 471 N ALA A 35 4.262 4.728 0.928 1.00 0.00 N ATOM 472 CA ALA A 35 5.165 5.745 1.460 1.00 0.00 C ATOM 473 C ALA A 35 6.420 5.941 0.608 1.00 0.00 C ATOM 474 O ALA A 35 6.697 7.051 0.151 1.00 0.00 O ATOM 475 CB ALA A 35 5.555 5.400 2.890 1.00 0.00 C ATOM 0 H ALA A 35 4.388 3.798 1.328 1.00 0.00 H new ATOM 0 HA ALA A 35 4.621 6.689 1.438 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.228 6.164 3.278 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.660 5.356 3.511 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.056 4.432 2.907 1.00 0.00 H new ATOM 481 N VAL A 36 7.172 4.865 0.393 1.00 0.00 N ATOM 482 CA VAL A 36 8.420 4.933 -0.372 1.00 0.00 C ATOM 483 C VAL A 36 8.213 5.316 -1.843 1.00 0.00 C ATOM 484 O VAL A 36 8.936 6.163 -2.369 1.00 0.00 O ATOM 485 CB VAL A 36 9.222 3.613 -0.256 1.00 0.00 C ATOM 486 CG1 VAL A 36 10.397 3.592 -1.226 1.00 0.00 C ATOM 487 CG2 VAL A 36 9.716 3.438 1.169 1.00 0.00 C ATOM 0 H VAL A 36 6.941 3.933 0.737 1.00 0.00 H new ATOM 0 HA VAL A 36 9.002 5.738 0.077 1.00 0.00 H new ATOM 0 HB VAL A 36 8.561 2.786 -0.516 1.00 0.00 H new ATOM 0 HG11 VAL A 36 10.940 2.653 -1.120 1.00 0.00 H new ATOM 0 HG12 VAL A 36 10.027 3.684 -2.247 1.00 0.00 H new ATOM 0 HG13 VAL A 36 11.066 4.424 -1.006 1.00 0.00 H new ATOM 0 HG21 VAL A 36 10.280 2.508 1.247 1.00 0.00 H new ATOM 0 HG22 VAL A 36 10.359 4.276 1.437 1.00 0.00 H new ATOM 0 HG23 VAL A 36 8.864 3.404 1.848 1.00 0.00 H new ATOM 497 N LEU A 37 7.224 4.716 -2.506 1.00 0.00 N ATOM 498 CA LEU A 37 6.976 5.024 -3.916 1.00 0.00 C ATOM 499 C LEU A 37 6.352 6.406 -4.088 1.00 0.00 C ATOM 500 O LEU A 37 6.358 6.961 -5.182 1.00 0.00 O ATOM 501 CB LEU A 37 6.096 3.968 -4.586 1.00 0.00 C ATOM 502 CG LEU A 37 6.674 2.554 -4.627 1.00 0.00 C ATOM 503 CD1 LEU A 37 5.694 1.606 -5.293 1.00 0.00 C ATOM 504 CD2 LEU A 37 8.006 2.544 -5.359 1.00 0.00 C ATOM 0 H LEU A 37 6.592 4.026 -2.100 1.00 0.00 H new ATOM 0 HA LEU A 37 7.949 5.018 -4.408 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.139 3.935 -4.065 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.891 4.287 -5.608 1.00 0.00 H new ATOM 0 HG LEU A 37 6.843 2.217 -3.604 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.118 0.602 -5.316 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.761 1.593 -4.730 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.499 1.941 -6.312 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.403 1.529 -5.378 1.00 0.00 H new ATOM 0 HD22 LEU A 37 7.863 2.897 -6.380 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.709 3.199 -4.844 1.00 0.00 H new ATOM 516 N ASP A 38 5.793 6.955 -3.014 1.00 0.00 N ATOM 517 CA ASP A 38 5.183 8.283 -3.062 1.00 0.00 C ATOM 518 C ASP A 38 6.202 9.331 -3.505 1.00 0.00 C ATOM 519 O ASP A 38 5.880 10.251 -4.253 1.00 0.00 O ATOM 520 CB ASP A 38 4.602 8.659 -1.697 1.00 0.00 C ATOM 521 CG ASP A 38 4.076 10.082 -1.651 1.00 0.00 C ATOM 522 OD1 ASP A 38 2.895 10.290 -1.986 1.00 0.00 O ATOM 523 OD2 ASP A 38 4.850 10.990 -1.276 1.00 0.00 O ATOM 0 H ASP A 38 5.749 6.503 -2.101 1.00 0.00 H new ATOM 0 HA ASP A 38 4.373 8.256 -3.791 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.794 7.970 -1.449 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.371 8.536 -0.934 1.00 0.00 H new ATOM 528 N SER A 39 7.433 9.177 -3.032 1.00 0.00 N ATOM 529 CA SER A 39 8.509 10.103 -3.369 1.00 0.00 C ATOM 530 C SER A 39 9.256 9.646 -4.623 1.00 0.00 C ATOM 531 O SER A 39 10.293 10.208 -4.979 1.00 0.00 O ATOM 532 CB SER A 39 9.483 10.228 -2.197 1.00 0.00 C ATOM 533 OG SER A 39 8.828 10.727 -1.041 1.00 0.00 O ATOM 0 H SER A 39 7.712 8.417 -2.412 1.00 0.00 H new ATOM 0 HA SER A 39 8.065 11.078 -3.572 1.00 0.00 H new ATOM 0 HB2 SER A 39 9.922 9.254 -1.979 1.00 0.00 H new ATOM 0 HB3 SER A 39 10.303 10.893 -2.470 1.00 0.00 H new ATOM 0 HG SER A 39 9.471 10.796 -0.305 1.00 0.00 H new ATOM 539 N CYS A 40 8.728 8.612 -5.278 1.00 0.00 N ATOM 540 CA CYS A 40 9.340 8.065 -6.486 1.00 0.00 C ATOM 541 C CYS A 40 9.301 9.066 -7.634 1.00 0.00 C ATOM 542 O CYS A 40 8.311 9.773 -7.832 1.00 0.00 O ATOM 543 CB CYS A 40 8.640 6.774 -6.905 1.00 0.00 C ATOM 544 SG CYS A 40 9.411 5.935 -8.300 1.00 0.00 S ATOM 0 H CYS A 40 7.874 8.135 -4.989 1.00 0.00 H new ATOM 0 HA CYS A 40 10.383 7.850 -6.254 1.00 0.00 H new ATOM 0 HB2 CYS A 40 8.617 6.094 -6.054 1.00 0.00 H new ATOM 0 HB3 CYS A 40 7.605 7.001 -7.159 1.00 0.00 H new ATOM 0 HG CYS A 40 10.688 6.179 -8.301 1.00 0.00 H new ATOM 550 N ASP A 41 10.382 9.107 -8.396 1.00 0.00 N ATOM 551 CA ASP A 41 10.497 10.018 -9.527 1.00 0.00 C ATOM 552 C ASP A 41 11.073 9.287 -10.733 1.00 0.00 C ATOM 553 O ASP A 41 12.081 9.699 -11.306 1.00 0.00 O ATOM 554 CB ASP A 41 11.382 11.215 -9.165 1.00 0.00 C ATOM 555 CG ASP A 41 11.147 12.405 -10.079 1.00 0.00 C ATOM 556 OD1 ASP A 41 10.092 12.442 -10.746 1.00 0.00 O ATOM 557 OD2 ASP A 41 12.018 13.298 -10.121 1.00 0.00 O ATOM 0 H ASP A 41 11.200 8.515 -8.251 1.00 0.00 H new ATOM 0 HA ASP A 41 9.502 10.386 -9.778 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.188 11.508 -8.133 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.430 10.919 -9.220 1.00 0.00 H new ATOM 562 N GLY A 42 10.427 8.187 -11.102 1.00 0.00 N ATOM 563 CA GLY A 42 10.872 7.404 -12.241 1.00 0.00 C ATOM 564 C GLY A 42 11.821 6.277 -11.871 1.00 0.00 C ATOM 565 O GLY A 42 12.122 5.427 -12.709 1.00 0.00 O ATOM 0 H GLY A 42 9.599 7.822 -10.631 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.001 6.984 -12.745 1.00 0.00 H new ATOM 0 HA3 GLY A 42 11.366 8.064 -12.954 1.00 0.00 H new ATOM 569 N ALA A 43 12.301 6.266 -10.625 1.00 0.00 N ATOM 570 CA ALA A 43 13.216 5.215 -10.169 1.00 0.00 C ATOM 571 C ALA A 43 12.539 3.846 -10.205 1.00 0.00 C ATOM 572 O ALA A 43 13.132 2.859 -10.639 1.00 0.00 O ATOM 573 CB ALA A 43 13.719 5.523 -8.765 1.00 0.00 C ATOM 0 H ALA A 43 12.074 6.966 -9.919 1.00 0.00 H new ATOM 0 HA ALA A 43 14.068 5.188 -10.848 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.397 4.734 -8.440 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.247 6.477 -8.769 1.00 0.00 H new ATOM 0 HB3 ALA A 43 12.873 5.579 -8.080 1.00 0.00 H new ATOM 579 N LEU A 44 11.293 3.800 -9.742 1.00 0.00 N ATOM 580 CA LEU A 44 10.507 2.568 -9.752 1.00 0.00 C ATOM 581 C LEU A 44 9.214 2.803 -10.518 1.00 0.00 C ATOM 582 O LEU A 44 8.630 1.880 -11.085 1.00 0.00 O ATOM 583 CB LEU A 44 10.175 2.089 -8.322 1.00 0.00 C ATOM 584 CG LEU A 44 11.316 1.368 -7.582 1.00 0.00 C ATOM 585 CD1 LEU A 44 12.082 0.450 -8.524 1.00 0.00 C ATOM 586 CD2 LEU A 44 12.256 2.376 -6.935 1.00 0.00 C ATOM 0 H LEU A 44 10.803 4.606 -9.353 1.00 0.00 H new ATOM 0 HA LEU A 44 11.101 1.793 -10.236 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.870 2.952 -7.730 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.317 1.418 -8.372 1.00 0.00 H new ATOM 0 HG LEU A 44 10.875 0.754 -6.797 1.00 0.00 H new ATOM 0 HD11 LEU A 44 12.883 -0.047 -7.976 1.00 0.00 H new ATOM 0 HD12 LEU A 44 11.404 -0.298 -8.934 1.00 0.00 H new ATOM 0 HD13 LEU A 44 12.509 1.037 -9.337 1.00 0.00 H new ATOM 0 HD21 LEU A 44 13.056 1.847 -6.417 1.00 0.00 H new ATOM 0 HD22 LEU A 44 12.685 3.019 -7.704 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.701 2.984 -6.221 1.00 0.00 H new ATOM 598 N GLY A 45 8.784 4.061 -10.527 1.00 0.00 N ATOM 599 CA GLY A 45 7.561 4.437 -11.197 1.00 0.00 C ATOM 600 C GLY A 45 6.353 4.247 -10.307 1.00 0.00 C ATOM 601 O GLY A 45 6.044 3.120 -9.925 1.00 0.00 O ATOM 0 H GLY A 45 9.272 4.834 -10.074 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.623 5.480 -11.509 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.444 3.840 -12.102 1.00 0.00 H new ATOM 605 N TRP A 46 5.680 5.343 -9.950 1.00 0.00 N ATOM 606 CA TRP A 46 4.475 5.254 -9.115 1.00 0.00 C ATOM 607 C TRP A 46 3.465 4.282 -9.736 1.00 0.00 C ATOM 608 O TRP A 46 2.901 3.432 -9.048 1.00 0.00 O ATOM 609 CB TRP A 46 3.846 6.643 -8.916 1.00 0.00 C ATOM 610 CG TRP A 46 3.758 7.472 -10.168 1.00 0.00 C ATOM 611 CD1 TRP A 46 2.754 7.467 -11.091 1.00 0.00 C ATOM 612 CD2 TRP A 46 4.711 8.443 -10.620 1.00 0.00 C ATOM 613 NE1 TRP A 46 3.030 8.359 -12.096 1.00 0.00 N ATOM 614 CE2 TRP A 46 4.224 8.974 -11.829 1.00 0.00 C ATOM 615 CE3 TRP A 46 5.930 8.913 -10.121 1.00 0.00 C ATOM 616 CZ2 TRP A 46 4.912 9.949 -12.546 1.00 0.00 C ATOM 617 CZ3 TRP A 46 6.611 9.881 -10.833 1.00 0.00 C ATOM 618 CH2 TRP A 46 6.102 10.391 -12.034 1.00 0.00 C ATOM 0 H TRP A 46 5.942 6.291 -10.220 1.00 0.00 H new ATOM 0 HA TRP A 46 4.762 4.871 -8.136 1.00 0.00 H new ATOM 0 HB2 TRP A 46 2.844 6.519 -8.506 1.00 0.00 H new ATOM 0 HB3 TRP A 46 4.428 7.189 -8.174 1.00 0.00 H new ATOM 0 HD1 TRP A 46 1.869 6.850 -11.038 1.00 0.00 H new ATOM 0 HE1 TRP A 46 2.441 8.536 -12.910 1.00 0.00 H new ATOM 0 HE3 TRP A 46 6.331 8.526 -9.196 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 4.521 10.342 -13.473 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 7.553 10.251 -10.457 1.00 0.00 H new ATOM 0 HH2 TRP A 46 6.659 11.148 -12.566 1.00 0.00 H new ATOM 629 N ARG A 47 3.242 4.424 -11.043 1.00 0.00 N ATOM 630 CA ARG A 47 2.345 3.539 -11.781 1.00 0.00 C ATOM 631 C ARG A 47 3.044 2.260 -12.214 1.00 0.00 C ATOM 632 O ARG A 47 2.438 1.439 -12.869 1.00 0.00 O ATOM 633 CB ARG A 47 1.744 4.227 -13.014 1.00 0.00 C ATOM 634 CG ARG A 47 2.776 4.749 -14.000 1.00 0.00 C ATOM 635 CD ARG A 47 2.133 5.618 -15.072 1.00 0.00 C ATOM 636 NE ARG A 47 3.123 6.201 -15.976 1.00 0.00 N ATOM 637 CZ ARG A 47 3.592 5.588 -17.061 1.00 0.00 C ATOM 638 NH1 ARG A 47 4.491 6.194 -17.828 1.00 0.00 N ATOM 639 NH2 ARG A 47 3.164 4.374 -17.381 1.00 0.00 N ATOM 0 H ARG A 47 3.675 5.150 -11.614 1.00 0.00 H new ATOM 0 HA ARG A 47 1.539 3.287 -11.092 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.091 3.522 -13.528 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.120 5.058 -12.685 1.00 0.00 H new ATOM 0 HG2 ARG A 47 3.531 5.326 -13.467 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.289 3.910 -14.470 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.426 5.020 -15.647 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.563 6.416 -14.597 1.00 0.00 H new ATOM 0 HE ARG A 47 3.476 7.134 -15.763 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.822 7.128 -17.586 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.851 5.725 -18.659 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.473 3.906 -16.795 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.526 3.908 -18.213 1.00 0.00 H new ATOM 653 N GLY A 48 4.314 2.094 -11.864 1.00 0.00 N ATOM 654 CA GLY A 48 5.046 0.910 -12.294 1.00 0.00 C ATOM 655 C GLY A 48 4.401 -0.387 -11.848 1.00 0.00 C ATOM 656 O GLY A 48 4.283 -1.323 -12.637 1.00 0.00 O ATOM 0 H GLY A 48 4.849 2.750 -11.295 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.124 0.914 -13.381 1.00 0.00 H new ATOM 0 HA3 GLY A 48 6.062 0.957 -11.901 1.00 0.00 H new ATOM 660 N LEU A 49 3.979 -0.450 -10.591 1.00 0.00 N ATOM 661 CA LEU A 49 3.335 -1.653 -10.076 1.00 0.00 C ATOM 662 C LEU A 49 1.915 -1.808 -10.641 1.00 0.00 C ATOM 663 O LEU A 49 1.509 -2.903 -11.044 1.00 0.00 O ATOM 664 CB LEU A 49 3.300 -1.613 -8.546 1.00 0.00 C ATOM 665 CG LEU A 49 4.674 -1.560 -7.859 1.00 0.00 C ATOM 666 CD1 LEU A 49 4.505 -1.484 -6.352 1.00 0.00 C ATOM 667 CD2 LEU A 49 5.515 -2.770 -8.233 1.00 0.00 C ATOM 0 H LEU A 49 4.069 0.309 -9.915 1.00 0.00 H new ATOM 0 HA LEU A 49 3.917 -2.517 -10.397 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.723 -0.742 -8.235 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.767 -2.494 -8.188 1.00 0.00 H new ATOM 0 HG LEU A 49 5.192 -0.665 -8.203 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.486 -1.447 -5.877 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.943 -0.587 -6.094 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.965 -2.364 -6.002 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.482 -2.709 -7.734 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.002 -3.680 -7.921 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.664 -2.790 -9.313 1.00 0.00 H new ATOM 679 N ALA A 50 1.171 -0.699 -10.675 1.00 0.00 N ATOM 680 CA ALA A 50 -0.204 -0.693 -11.188 1.00 0.00 C ATOM 681 C ALA A 50 -0.275 -1.007 -12.681 1.00 0.00 C ATOM 682 O ALA A 50 -1.175 -1.719 -13.136 1.00 0.00 O ATOM 683 CB ALA A 50 -0.860 0.651 -10.923 1.00 0.00 C ATOM 0 H ALA A 50 1.499 0.211 -10.352 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.739 -1.481 -10.659 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.879 0.641 -11.309 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.880 0.841 -9.850 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.292 1.437 -11.420 1.00 0.00 H new ATOM 689 N GLU A 51 0.679 -0.466 -13.428 1.00 0.00 N ATOM 690 CA GLU A 51 0.740 -0.638 -14.871 1.00 0.00 C ATOM 691 C GLU A 51 0.876 -2.112 -15.242 1.00 0.00 C ATOM 692 O GLU A 51 0.224 -2.592 -16.169 1.00 0.00 O ATOM 693 CB GLU A 51 1.923 0.148 -15.454 1.00 0.00 C ATOM 694 CG GLU A 51 2.023 0.077 -16.971 1.00 0.00 C ATOM 695 CD GLU A 51 3.194 0.868 -17.520 1.00 0.00 C ATOM 696 OE1 GLU A 51 3.946 1.459 -16.718 1.00 0.00 O ATOM 697 OE2 GLU A 51 3.362 0.896 -18.758 1.00 0.00 O ATOM 0 H GLU A 51 1.433 0.106 -13.048 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.190 -0.256 -15.291 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.836 1.192 -15.154 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.848 -0.232 -15.021 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.119 -0.965 -17.276 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.099 0.453 -17.410 1.00 0.00 H new ATOM 704 N ARG A 52 1.732 -2.823 -14.505 1.00 0.00 N ATOM 705 CA ARG A 52 1.965 -4.245 -14.750 1.00 0.00 C ATOM 706 C ARG A 52 0.700 -5.067 -14.524 1.00 0.00 C ATOM 707 O ARG A 52 0.409 -5.984 -15.291 1.00 0.00 O ATOM 708 CB ARG A 52 3.094 -4.772 -13.861 1.00 0.00 C ATOM 709 CG ARG A 52 4.410 -4.977 -14.598 1.00 0.00 C ATOM 710 CD ARG A 52 5.064 -3.656 -14.960 1.00 0.00 C ATOM 711 NE ARG A 52 4.992 -3.382 -16.395 1.00 0.00 N ATOM 712 CZ ARG A 52 5.335 -2.218 -16.941 1.00 0.00 C ATOM 713 NH1 ARG A 52 5.256 -2.053 -18.256 1.00 0.00 N ATOM 714 NH2 ARG A 52 5.751 -1.220 -16.171 1.00 0.00 N ATOM 0 H ARG A 52 2.275 -2.435 -13.733 1.00 0.00 H new ATOM 0 HA ARG A 52 2.258 -4.350 -15.795 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.253 -4.074 -13.039 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.784 -5.719 -13.419 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.089 -5.560 -13.975 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.233 -5.556 -15.505 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.577 -2.849 -14.412 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.108 -3.670 -14.646 1.00 0.00 H new ATOM 0 HE ARG A 52 4.661 -4.124 -17.011 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.932 -2.818 -18.848 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.519 -1.161 -18.675 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.808 -1.345 -15.160 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.014 -0.328 -16.590 1.00 0.00 H new ATOM 851 N ASP A 61 -5.449 7.516 -15.253 1.00 0.00 N ATOM 852 CA ASP A 61 -6.010 8.863 -15.171 1.00 0.00 C ATOM 853 C ASP A 61 -6.094 9.340 -13.723 1.00 0.00 C ATOM 854 O ASP A 61 -5.823 10.501 -13.425 1.00 0.00 O ATOM 855 CB ASP A 61 -7.397 8.904 -15.816 1.00 0.00 C ATOM 856 CG ASP A 61 -7.347 8.820 -17.329 1.00 0.00 C ATOM 857 OD1 ASP A 61 -6.246 8.981 -17.899 1.00 0.00 O ATOM 858 OD2 ASP A 61 -8.407 8.589 -17.945 1.00 0.00 O ATOM 0 HA ASP A 61 -5.344 9.534 -15.714 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -7.996 8.079 -15.431 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -7.900 9.826 -15.525 1.00 0.00 H new ATOM 863 N HIS A 62 -6.469 8.430 -12.826 1.00 0.00 N ATOM 864 CA HIS A 62 -6.594 8.755 -11.410 1.00 0.00 C ATOM 865 C HIS A 62 -5.242 8.658 -10.697 1.00 0.00 C ATOM 866 O HIS A 62 -5.065 9.211 -9.608 1.00 0.00 O ATOM 867 CB HIS A 62 -7.619 7.839 -10.742 1.00 0.00 C ATOM 868 CG HIS A 62 -8.298 8.462 -9.559 1.00 0.00 C ATOM 869 ND1 HIS A 62 -9.136 9.552 -9.644 1.00 0.00 N ATOM 870 CD2 HIS A 62 -8.251 8.129 -8.245 1.00 0.00 C ATOM 871 CE1 HIS A 62 -9.562 9.842 -8.406 1.00 0.00 C ATOM 872 NE2 HIS A 62 -9.052 9.006 -7.521 1.00 0.00 N ATOM 0 H HIS A 62 -6.691 7.462 -13.057 1.00 0.00 H new ATOM 0 HA HIS A 62 -6.941 9.785 -11.330 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -8.373 7.555 -11.476 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -7.122 6.922 -10.424 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -7.682 7.312 -7.827 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -10.234 10.653 -8.165 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -9.212 9.004 -6.514 1.00 0.00 H new ATOM 879 N ILE A 63 -4.289 7.958 -11.319 1.00 0.00 N ATOM 880 CA ILE A 63 -2.950 7.800 -10.748 1.00 0.00 C ATOM 881 C ILE A 63 -2.272 9.163 -10.567 1.00 0.00 C ATOM 882 O ILE A 63 -1.608 9.415 -9.559 1.00 0.00 O ATOM 883 CB ILE A 63 -2.054 6.870 -11.610 1.00 0.00 C ATOM 884 CG1 ILE A 63 -2.545 5.422 -11.512 1.00 0.00 C ATOM 885 CG2 ILE A 63 -0.596 6.963 -11.184 1.00 0.00 C ATOM 886 CD1 ILE A 63 -1.847 4.473 -12.465 1.00 0.00 C ATOM 0 H ILE A 63 -4.420 7.492 -12.217 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.074 7.330 -9.772 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.124 7.199 -12.647 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.401 5.068 -10.491 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.617 5.398 -11.710 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.007 6.301 -11.805 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.247 7.989 -11.302 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.502 6.666 -10.140 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.248 3.468 -12.337 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.012 4.801 -13.491 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.778 4.466 -12.254 1.00 0.00 H new ATOM 898 N GLU A 64 -2.430 10.031 -11.550 1.00 0.00 N ATOM 899 CA GLU A 64 -1.843 11.366 -11.499 1.00 0.00 C ATOM 900 C GLU A 64 -2.436 12.218 -10.367 1.00 0.00 C ATOM 901 O GLU A 64 -1.727 12.982 -9.720 1.00 0.00 O ATOM 902 CB GLU A 64 -2.057 12.078 -12.837 1.00 0.00 C ATOM 903 CG GLU A 64 -1.242 11.490 -13.980 1.00 0.00 C ATOM 904 CD GLU A 64 -1.582 12.106 -15.325 1.00 0.00 C ATOM 905 OE1 GLU A 64 -2.600 12.824 -15.410 1.00 0.00 O ATOM 906 OE2 GLU A 64 -0.828 11.867 -16.291 1.00 0.00 O ATOM 0 H GLU A 64 -2.962 9.838 -12.399 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.778 11.245 -11.302 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.115 12.034 -13.097 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.800 13.131 -12.723 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.181 11.637 -13.776 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.412 10.414 -14.025 1.00 0.00 H new ATOM 913 N LYS A 65 -3.741 12.088 -10.149 1.00 0.00 N ATOM 914 CA LYS A 65 -4.448 12.881 -9.139 1.00 0.00 C ATOM 915 C LYS A 65 -4.046 12.602 -7.676 1.00 0.00 C ATOM 916 O LYS A 65 -3.828 13.547 -6.916 1.00 0.00 O ATOM 917 CB LYS A 65 -5.951 12.672 -9.316 1.00 0.00 C ATOM 918 CG LYS A 65 -6.496 13.336 -10.572 1.00 0.00 C ATOM 919 CD LYS A 65 -7.719 12.615 -11.107 1.00 0.00 C ATOM 920 CE LYS A 65 -8.305 13.339 -12.306 1.00 0.00 C ATOM 921 NZ LYS A 65 -9.022 14.582 -11.912 1.00 0.00 N ATOM 0 H LYS A 65 -4.337 11.437 -10.660 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.157 13.917 -9.312 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.162 11.603 -9.355 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.473 13.069 -8.445 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.752 14.372 -10.353 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.721 13.355 -11.338 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.449 11.598 -11.390 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.471 12.539 -10.322 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.506 13.587 -13.005 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -8.992 12.675 -12.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.478 15.000 -12.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.746 14.355 -11.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.344 15.262 -11.512 1.00 0.00 H new ATOM 935 N GLU A 66 -3.940 11.335 -7.266 1.00 0.00 N ATOM 936 CA GLU A 66 -3.590 11.039 -5.864 1.00 0.00 C ATOM 937 C GLU A 66 -2.085 10.922 -5.627 1.00 0.00 C ATOM 938 O GLU A 66 -1.665 10.724 -4.489 1.00 0.00 O ATOM 939 CB GLU A 66 -4.300 9.788 -5.322 1.00 0.00 C ATOM 940 CG GLU A 66 -5.703 9.578 -5.877 1.00 0.00 C ATOM 941 CD GLU A 66 -6.494 8.552 -5.088 1.00 0.00 C ATOM 942 OE1 GLU A 66 -7.176 8.948 -4.120 1.00 0.00 O ATOM 943 OE2 GLU A 66 -6.431 7.356 -5.441 1.00 0.00 O ATOM 0 H GLU A 66 -4.085 10.518 -7.859 1.00 0.00 H new ATOM 0 HA GLU A 66 -3.949 11.905 -5.308 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.695 8.911 -5.553 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.358 9.858 -4.236 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.238 10.527 -5.871 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.634 9.258 -6.917 1.00 0.00 H new ATOM 950 N VAL A 67 -1.272 11.015 -6.681 1.00 0.00 N ATOM 951 CA VAL A 67 0.182 10.893 -6.521 1.00 0.00 C ATOM 952 C VAL A 67 0.723 11.917 -5.508 1.00 0.00 C ATOM 953 O VAL A 67 1.642 11.619 -4.746 1.00 0.00 O ATOM 954 CB VAL A 67 0.930 11.021 -7.877 1.00 0.00 C ATOM 955 CG1 VAL A 67 0.947 12.456 -8.384 1.00 0.00 C ATOM 956 CG2 VAL A 67 2.347 10.475 -7.764 1.00 0.00 C ATOM 0 H VAL A 67 -1.586 11.172 -7.639 1.00 0.00 H new ATOM 0 HA VAL A 67 0.372 9.893 -6.132 1.00 0.00 H new ATOM 0 HB VAL A 67 0.383 10.424 -8.607 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.480 12.500 -9.334 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.076 12.804 -8.525 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.450 13.093 -7.656 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.853 10.574 -8.724 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.894 11.036 -7.006 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.310 9.423 -7.480 1.00 0.00 H new ATOM 966 N ASP A 68 0.132 13.112 -5.489 1.00 0.00 N ATOM 967 CA ASP A 68 0.535 14.160 -4.553 1.00 0.00 C ATOM 968 C ASP A 68 -0.253 14.056 -3.247 1.00 0.00 C ATOM 969 O ASP A 68 0.000 14.791 -2.296 1.00 0.00 O ATOM 970 CB ASP A 68 0.335 15.552 -5.165 1.00 0.00 C ATOM 971 CG ASP A 68 1.327 15.860 -6.268 1.00 0.00 C ATOM 972 OD1 ASP A 68 2.337 15.134 -6.383 1.00 0.00 O ATOM 973 OD2 ASP A 68 1.092 16.828 -7.019 1.00 0.00 O ATOM 0 H ASP A 68 -0.629 13.378 -6.113 1.00 0.00 H new ATOM 0 HA ASP A 68 1.595 14.019 -4.340 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.677 15.626 -5.563 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.426 16.304 -4.381 1.00 0.00 H new ATOM 978 N GLN A 69 -1.206 13.129 -3.216 1.00 0.00 N ATOM 979 CA GLN A 69 -2.066 12.928 -2.053 1.00 0.00 C ATOM 980 C GLN A 69 -1.677 11.677 -1.267 1.00 0.00 C ATOM 981 O GLN A 69 -2.491 11.127 -0.523 1.00 0.00 O ATOM 982 CB GLN A 69 -3.533 12.830 -2.486 1.00 0.00 C ATOM 983 CG GLN A 69 -4.041 14.056 -3.232 1.00 0.00 C ATOM 984 CD GLN A 69 -3.944 15.330 -2.413 1.00 0.00 C ATOM 985 OE1 GLN A 69 -3.246 16.269 -2.788 1.00 0.00 O ATOM 986 NE2 GLN A 69 -4.646 15.368 -1.288 1.00 0.00 N ATOM 0 H GLN A 69 -1.404 12.498 -3.993 1.00 0.00 H new ATOM 0 HA GLN A 69 -1.934 13.791 -1.400 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.656 11.953 -3.122 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -4.152 12.672 -1.603 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -3.469 14.178 -4.152 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -5.079 13.894 -3.521 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -5.213 14.566 -1.013 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -4.619 16.199 -0.698 1.00 0.00 H new ATOM 995 N GLY A 70 -0.436 11.229 -1.421 1.00 0.00 N ATOM 996 CA GLY A 70 0.012 10.043 -0.709 1.00 0.00 C ATOM 997 C GLY A 70 0.114 8.798 -1.575 1.00 0.00 C ATOM 998 O GLY A 70 0.052 7.689 -1.046 1.00 0.00 O ATOM 0 H GLY A 70 0.265 11.662 -2.022 1.00 0.00 H new ATOM 0 HA2 GLY A 70 0.987 10.245 -0.267 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -0.676 9.845 0.113 1.00 0.00 H new ATOM 1002 N LYS A 71 0.228 9.002 -2.902 1.00 0.00 N ATOM 1003 CA LYS A 71 0.396 7.924 -3.899 1.00 0.00 C ATOM 1004 C LYS A 71 -0.939 7.469 -4.479 1.00 0.00 C ATOM 1005 O LYS A 71 -1.951 7.395 -3.788 1.00 0.00 O ATOM 1006 CB LYS A 71 1.162 6.711 -3.332 1.00 0.00 C ATOM 1007 CG LYS A 71 1.194 5.483 -4.248 1.00 0.00 C ATOM 1008 CD LYS A 71 1.886 5.769 -5.579 1.00 0.00 C ATOM 1009 CE LYS A 71 3.330 6.168 -5.384 1.00 0.00 C ATOM 1010 NZ LYS A 71 3.581 7.575 -5.806 1.00 0.00 N ATOM 0 H LYS A 71 0.206 9.933 -3.318 1.00 0.00 H new ATOM 0 HA LYS A 71 0.994 8.355 -4.702 1.00 0.00 H new ATOM 0 HB2 LYS A 71 2.187 7.014 -3.119 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.710 6.426 -2.382 1.00 0.00 H new ATOM 0 HG2 LYS A 71 1.710 4.668 -3.741 1.00 0.00 H new ATOM 0 HG3 LYS A 71 0.174 5.147 -4.436 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.836 4.884 -6.213 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.356 6.565 -6.101 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.600 6.050 -4.335 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.972 5.498 -5.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.606 7.752 -5.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.177 7.731 -6.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.136 8.226 -5.128 1.00 0.00 H new ATOM 1024 N SER A 72 -0.923 7.194 -5.775 1.00 0.00 N ATOM 1025 CA SER A 72 -2.092 6.714 -6.486 1.00 0.00 C ATOM 1026 C SER A 72 -1.738 5.488 -7.313 1.00 0.00 C ATOM 1027 O SER A 72 -2.568 4.621 -7.530 1.00 0.00 O ATOM 1028 CB SER A 72 -2.634 7.799 -7.393 1.00 0.00 C ATOM 1029 OG SER A 72 -3.999 7.575 -7.700 1.00 0.00 O ATOM 0 H SER A 72 -0.095 7.299 -6.362 1.00 0.00 H new ATOM 0 HA SER A 72 -2.855 6.444 -5.756 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.522 8.770 -6.911 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.052 7.831 -8.314 1.00 0.00 H new ATOM 0 HG SER A 72 -4.309 8.258 -8.331 1.00 0.00 H new ATOM 1035 N GLY A 73 -0.495 5.423 -7.778 1.00 0.00 N ATOM 1036 CA GLY A 73 -0.070 4.288 -8.575 1.00 0.00 C ATOM 1037 C GLY A 73 -0.314 2.969 -7.873 1.00 0.00 C ATOM 1038 O GLY A 73 -1.114 2.156 -8.325 1.00 0.00 O ATOM 0 H GLY A 73 0.221 6.131 -7.618 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.603 4.295 -9.526 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.991 4.384 -8.804 1.00 0.00 H new ATOM 1042 N THR A 74 0.364 2.760 -6.759 1.00 0.00 N ATOM 1043 CA THR A 74 0.199 1.539 -5.999 1.00 0.00 C ATOM 1044 C THR A 74 -0.947 1.651 -4.990 1.00 0.00 C ATOM 1045 O THR A 74 -1.698 0.696 -4.787 1.00 0.00 O ATOM 1046 CB THR A 74 1.498 1.159 -5.266 1.00 0.00 C ATOM 1047 OG1 THR A 74 2.591 1.183 -6.188 1.00 0.00 O ATOM 1048 CG2 THR A 74 1.388 -0.228 -4.647 1.00 0.00 C ATOM 0 H THR A 74 1.033 3.420 -6.363 1.00 0.00 H new ATOM 0 HA THR A 74 -0.046 0.754 -6.714 1.00 0.00 H new ATOM 0 HB THR A 74 1.668 1.882 -4.468 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.086 2.023 -6.087 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.319 -0.473 -4.135 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.566 -0.243 -3.932 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.201 -0.962 -5.431 1.00 0.00 H new ATOM 1056 N ARG A 75 -1.079 2.828 -4.368 1.00 0.00 N ATOM 1057 CA ARG A 75 -2.106 3.045 -3.346 1.00 0.00 C ATOM 1058 C ARG A 75 -3.513 2.847 -3.896 1.00 0.00 C ATOM 1059 O ARG A 75 -4.315 2.138 -3.299 1.00 0.00 O ATOM 1060 CB ARG A 75 -1.994 4.450 -2.750 1.00 0.00 C ATOM 1061 CG ARG A 75 -2.927 4.670 -1.570 1.00 0.00 C ATOM 1062 CD ARG A 75 -2.775 6.055 -0.976 1.00 0.00 C ATOM 1063 NE ARG A 75 -3.668 6.264 0.162 1.00 0.00 N ATOM 1064 CZ ARG A 75 -3.734 7.402 0.845 1.00 0.00 C ATOM 1065 NH1 ARG A 75 -4.570 7.516 1.867 1.00 0.00 N ATOM 1066 NH2 ARG A 75 -2.966 8.425 0.500 1.00 0.00 N ATOM 0 H ARG A 75 -0.490 3.640 -4.554 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.933 2.301 -2.568 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.966 4.623 -2.431 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.215 5.186 -3.523 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.958 4.525 -1.891 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -2.724 3.922 -0.803 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.743 6.202 -0.658 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.982 6.803 -1.742 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.274 5.494 0.447 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.164 6.730 2.130 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -4.620 8.390 2.390 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.325 8.338 -0.289 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.016 9.299 1.023 1.00 0.00 H new ATOM 1080 N GLU A 76 -3.807 3.460 -5.043 1.00 0.00 N ATOM 1081 CA GLU A 76 -5.126 3.336 -5.656 1.00 0.00 C ATOM 1082 C GLU A 76 -5.403 1.891 -6.048 1.00 0.00 C ATOM 1083 O GLU A 76 -6.523 1.404 -5.905 1.00 0.00 O ATOM 1084 CB GLU A 76 -5.246 4.241 -6.884 1.00 0.00 C ATOM 1085 CG GLU A 76 -6.601 4.163 -7.566 1.00 0.00 C ATOM 1086 CD GLU A 76 -6.664 4.938 -8.864 1.00 0.00 C ATOM 1087 OE1 GLU A 76 -5.643 5.545 -9.250 1.00 0.00 O ATOM 1088 OE2 GLU A 76 -7.737 4.933 -9.502 1.00 0.00 O ATOM 0 H GLU A 76 -3.152 4.044 -5.563 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.866 3.650 -4.920 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.058 5.272 -6.585 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.471 3.971 -7.601 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.841 3.118 -7.763 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.364 4.543 -6.887 1.00 0.00 H new ATOM 1095 N LEU A 77 -4.378 1.219 -6.561 1.00 0.00 N ATOM 1096 CA LEU A 77 -4.504 -0.171 -6.976 1.00 0.00 C ATOM 1097 C LEU A 77 -4.885 -1.054 -5.787 1.00 0.00 C ATOM 1098 O LEU A 77 -5.788 -1.884 -5.881 1.00 0.00 O ATOM 1099 CB LEU A 77 -3.184 -0.656 -7.585 1.00 0.00 C ATOM 1100 CG LEU A 77 -3.193 -2.093 -8.104 1.00 0.00 C ATOM 1101 CD1 LEU A 77 -4.168 -2.226 -9.262 1.00 0.00 C ATOM 1102 CD2 LEU A 77 -1.793 -2.520 -8.521 1.00 0.00 C ATOM 0 H LEU A 77 -3.449 1.617 -6.699 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.292 -0.239 -7.726 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.917 0.008 -8.407 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.400 -0.564 -6.833 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.521 -2.753 -7.301 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.166 -3.254 -9.623 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.171 -1.962 -8.926 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.868 -1.557 -10.069 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.820 -3.546 -8.888 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.432 -1.862 -9.311 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.123 -2.459 -7.663 1.00 0.00 H new ATOM 1114 N LEU A 78 -4.188 -0.866 -4.668 1.00 0.00 N ATOM 1115 CA LEU A 78 -4.455 -1.634 -3.451 1.00 0.00 C ATOM 1116 C LEU A 78 -5.784 -1.211 -2.808 1.00 0.00 C ATOM 1117 O LEU A 78 -6.551 -2.044 -2.328 1.00 0.00 O ATOM 1118 CB LEU A 78 -3.298 -1.460 -2.450 1.00 0.00 C ATOM 1119 CG LEU A 78 -1.930 -1.951 -2.936 1.00 0.00 C ATOM 1120 CD1 LEU A 78 -0.870 -1.734 -1.870 1.00 0.00 C ATOM 1121 CD2 LEU A 78 -1.992 -3.416 -3.343 1.00 0.00 C ATOM 0 H LEU A 78 -3.432 -0.187 -4.578 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.534 -2.686 -3.724 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.216 -0.403 -2.195 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.551 -1.991 -1.532 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.655 -1.367 -3.814 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.093 -2.090 -2.237 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.800 -0.671 -1.638 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.141 -2.285 -0.970 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.009 -3.741 -3.684 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.297 -4.019 -2.487 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.715 -3.539 -4.149 1.00 0.00 H new ATOM 1133 N TRP A 79 -6.052 0.092 -2.834 1.00 0.00 N ATOM 1134 CA TRP A 79 -7.260 0.680 -2.239 1.00 0.00 C ATOM 1135 C TRP A 79 -8.517 0.453 -3.091 1.00 0.00 C ATOM 1136 O TRP A 79 -9.622 0.788 -2.663 1.00 0.00 O ATOM 1137 CB TRP A 79 -7.047 2.183 -2.029 1.00 0.00 C ATOM 1138 CG TRP A 79 -7.873 2.774 -0.927 1.00 0.00 C ATOM 1139 CD1 TRP A 79 -9.038 3.472 -1.061 1.00 0.00 C ATOM 1140 CD2 TRP A 79 -7.586 2.738 0.477 1.00 0.00 C ATOM 1141 NE1 TRP A 79 -9.501 3.860 0.172 1.00 0.00 N ATOM 1142 CE2 TRP A 79 -8.627 3.422 1.133 1.00 0.00 C ATOM 1143 CE3 TRP A 79 -6.555 2.186 1.244 1.00 0.00 C ATOM 1144 CZ2 TRP A 79 -8.664 3.571 2.518 1.00 0.00 C ATOM 1145 CZ3 TRP A 79 -6.592 2.335 2.617 1.00 0.00 C ATOM 1146 CH2 TRP A 79 -7.641 3.023 3.242 1.00 0.00 C ATOM 0 H TRP A 79 -5.436 0.778 -3.270 1.00 0.00 H new ATOM 0 HA TRP A 79 -7.425 0.178 -1.285 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -5.994 2.362 -1.814 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -7.276 2.704 -2.959 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -9.525 3.688 -2.000 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -10.356 4.388 0.345 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -5.744 1.652 0.771 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -9.471 4.100 3.002 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -5.800 1.914 3.219 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -7.642 3.123 4.317 1.00 0.00 H new ATOM 1157 N SER A 80 -8.353 -0.097 -4.293 1.00 0.00 N ATOM 1158 CA SER A 80 -9.485 -0.314 -5.201 1.00 0.00 C ATOM 1159 C SER A 80 -10.580 -1.187 -4.580 1.00 0.00 C ATOM 1160 O SER A 80 -11.767 -0.935 -4.793 1.00 0.00 O ATOM 1161 CB SER A 80 -8.999 -0.943 -6.511 1.00 0.00 C ATOM 1162 OG SER A 80 -8.402 -2.210 -6.284 1.00 0.00 O ATOM 0 H SER A 80 -7.452 -0.400 -4.662 1.00 0.00 H new ATOM 0 HA SER A 80 -9.924 0.664 -5.400 1.00 0.00 H new ATOM 0 HB2 SER A 80 -9.838 -1.052 -7.198 1.00 0.00 H new ATOM 0 HB3 SER A 80 -8.279 -0.280 -6.990 1.00 0.00 H new ATOM 0 HG SER A 80 -7.501 -2.086 -5.920 1.00 0.00 H new ATOM 1168 N TRP A 81 -10.192 -2.213 -3.830 1.00 0.00 N ATOM 1169 CA TRP A 81 -11.173 -3.080 -3.184 1.00 0.00 C ATOM 1170 C TRP A 81 -11.566 -2.518 -1.817 1.00 0.00 C ATOM 1171 O TRP A 81 -12.523 -1.752 -1.700 1.00 0.00 O ATOM 1172 CB TRP A 81 -10.621 -4.500 -3.049 1.00 0.00 C ATOM 1173 CG TRP A 81 -10.890 -5.355 -4.249 1.00 0.00 C ATOM 1174 CD1 TRP A 81 -10.012 -5.671 -5.248 1.00 0.00 C ATOM 1175 CD2 TRP A 81 -12.122 -6.008 -4.575 1.00 0.00 C ATOM 1176 NE1 TRP A 81 -10.625 -6.482 -6.172 1.00 0.00 N ATOM 1177 CE2 TRP A 81 -11.921 -6.701 -5.784 1.00 0.00 C ATOM 1178 CE3 TRP A 81 -13.377 -6.072 -3.961 1.00 0.00 C ATOM 1179 CZ2 TRP A 81 -12.927 -7.450 -6.387 1.00 0.00 C ATOM 1180 CZ3 TRP A 81 -14.376 -6.816 -4.562 1.00 0.00 C ATOM 1181 CH2 TRP A 81 -14.145 -7.497 -5.764 1.00 0.00 C ATOM 0 H TRP A 81 -9.219 -2.463 -3.655 1.00 0.00 H new ATOM 0 HA TRP A 81 -12.067 -3.118 -3.806 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -9.545 -4.450 -2.880 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -11.060 -4.971 -2.170 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -8.988 -5.333 -5.303 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -10.186 -6.860 -7.012 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -13.563 -5.550 -3.034 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -12.753 -7.976 -7.314 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -15.349 -6.873 -4.097 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -14.944 -8.071 -6.209 1.00 0.00 H new ATOM 1192 N ALA A 82 -10.834 -2.915 -0.780 1.00 0.00 N ATOM 1193 CA ALA A 82 -11.082 -2.418 0.567 1.00 0.00 C ATOM 1194 C ALA A 82 -9.966 -1.458 0.962 1.00 0.00 C ATOM 1195 O ALA A 82 -10.075 -0.248 0.776 1.00 0.00 O ATOM 1196 CB ALA A 82 -11.188 -3.572 1.558 1.00 0.00 C ATOM 0 H ALA A 82 -10.064 -3.580 -0.848 1.00 0.00 H new ATOM 0 HA ALA A 82 -12.032 -1.884 0.585 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -11.373 -3.178 2.557 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -12.010 -4.226 1.268 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -10.257 -4.138 1.558 1.00 0.00 H new ATOM 1202 N GLN A 83 -8.892 -2.013 1.512 1.00 0.00 N ATOM 1203 CA GLN A 83 -7.725 -1.225 1.880 1.00 0.00 C ATOM 1204 C GLN A 83 -6.545 -1.675 1.024 1.00 0.00 C ATOM 1205 O GLN A 83 -5.866 -0.857 0.407 1.00 0.00 O ATOM 1206 CB GLN A 83 -7.418 -1.343 3.372 1.00 0.00 C ATOM 1207 CG GLN A 83 -8.490 -0.712 4.250 1.00 0.00 C ATOM 1208 CD GLN A 83 -8.121 -0.700 5.718 1.00 0.00 C ATOM 1209 OE1 GLN A 83 -7.029 -0.275 6.088 1.00 0.00 O ATOM 1210 NE2 GLN A 83 -9.031 -1.165 6.564 1.00 0.00 N ATOM 0 H GLN A 83 -8.807 -3.009 1.713 1.00 0.00 H new ATOM 0 HA GLN A 83 -7.924 -0.170 1.692 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -7.314 -2.396 3.634 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -6.460 -0.867 3.579 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -8.668 0.311 3.918 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -9.425 -1.257 4.121 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -9.925 -1.508 6.213 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -8.837 -1.179 7.565 1.00 0.00 H new ATOM 1219 N LYS A 84 -6.291 -2.983 1.018 1.00 0.00 N ATOM 1220 CA LYS A 84 -5.242 -3.550 0.175 1.00 0.00 C ATOM 1221 C LYS A 84 -5.795 -4.766 -0.570 1.00 0.00 C ATOM 1222 O LYS A 84 -5.587 -4.909 -1.776 1.00 0.00 O ATOM 1223 CB LYS A 84 -4.006 -3.935 1.012 1.00 0.00 C ATOM 1224 CG LYS A 84 -3.097 -4.975 0.352 1.00 0.00 C ATOM 1225 CD LYS A 84 -1.624 -4.745 0.675 1.00 0.00 C ATOM 1226 CE LYS A 84 -1.239 -5.257 2.061 1.00 0.00 C ATOM 1227 NZ LYS A 84 -1.672 -4.322 3.131 1.00 0.00 N ATOM 0 H LYS A 84 -6.795 -3.666 1.584 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.924 -2.800 -0.549 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.424 -3.036 1.213 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.340 -4.321 1.975 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -3.388 -5.972 0.684 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -3.239 -4.945 -0.728 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -1.010 -5.242 -0.075 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -1.404 -3.679 0.612 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.692 -6.235 2.227 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.159 -5.393 2.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.237 -4.602 4.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.375 -3.355 2.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -2.708 -4.354 3.222 1.00 0.00 H new ATOM 1241 N ASN A 85 -6.526 -5.620 0.169 1.00 0.00 N ATOM 1242 CA ASN A 85 -7.152 -6.840 -0.377 1.00 0.00 C ATOM 1243 C ASN A 85 -6.168 -7.633 -1.232 1.00 0.00 C ATOM 1244 O ASN A 85 -6.541 -8.240 -2.236 1.00 0.00 O ATOM 1245 CB ASN A 85 -8.402 -6.506 -1.192 1.00 0.00 C ATOM 1246 CG ASN A 85 -9.325 -7.705 -1.328 1.00 0.00 C ATOM 1247 OD1 ASN A 85 -9.558 -8.433 -0.363 1.00 0.00 O ATOM 1248 ND2 ASN A 85 -9.845 -7.925 -2.526 1.00 0.00 N ATOM 0 H ASN A 85 -6.700 -5.484 1.165 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.447 -7.457 0.472 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -8.939 -5.687 -0.714 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -8.108 -6.160 -2.183 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -10.464 -8.722 -2.675 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -9.627 -7.297 -3.300 1.00 0.00 H new ATOM 1255 N LYS A 86 -4.917 -7.628 -0.820 1.00 0.00 N ATOM 1256 CA LYS A 86 -3.868 -8.312 -1.549 1.00 0.00 C ATOM 1257 C LYS A 86 -2.931 -9.003 -0.581 1.00 0.00 C ATOM 1258 O LYS A 86 -3.007 -8.791 0.628 1.00 0.00 O ATOM 1259 CB LYS A 86 -3.077 -7.308 -2.393 1.00 0.00 C ATOM 1260 CG LYS A 86 -3.198 -7.515 -3.893 1.00 0.00 C ATOM 1261 CD LYS A 86 -4.520 -6.990 -4.431 1.00 0.00 C ATOM 1262 CE LYS A 86 -4.952 -7.739 -5.679 1.00 0.00 C ATOM 1263 NZ LYS A 86 -3.909 -7.695 -6.745 1.00 0.00 N ATOM 0 H LYS A 86 -4.599 -7.153 0.025 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.323 -9.055 -2.204 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.415 -6.301 -2.149 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.025 -7.367 -2.114 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.374 -7.010 -4.397 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.109 -8.577 -4.122 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -5.289 -7.085 -3.664 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.425 -5.928 -4.658 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -5.166 -8.777 -5.423 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -5.878 -7.307 -6.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.327 -7.987 -7.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.540 -6.726 -6.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.132 -8.341 -6.498 1.00 0.00 H new ATOM 1277 N THR A 87 -2.046 -9.826 -1.113 1.00 0.00 N ATOM 1278 CA THR A 87 -1.082 -10.512 -0.285 1.00 0.00 C ATOM 1279 C THR A 87 0.326 -10.116 -0.700 1.00 0.00 C ATOM 1280 O THR A 87 0.561 -9.715 -1.846 1.00 0.00 O ATOM 1281 CB THR A 87 -1.235 -12.044 -0.354 1.00 0.00 C ATOM 1282 OG1 THR A 87 -1.000 -12.509 -1.689 1.00 0.00 O ATOM 1283 CG2 THR A 87 -2.626 -12.473 0.099 1.00 0.00 C ATOM 0 H THR A 87 -1.978 -10.032 -2.110 1.00 0.00 H new ATOM 0 HA THR A 87 -1.266 -10.213 0.747 1.00 0.00 H new ATOM 0 HB THR A 87 -0.497 -12.485 0.316 1.00 0.00 H new ATOM 0 HG1 THR A 87 -1.099 -13.484 -1.718 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.709 -13.558 0.041 1.00 0.00 H new ATOM 0 HG22 THR A 87 -2.789 -12.151 1.127 1.00 0.00 H new ATOM 0 HG23 THR A 87 -3.376 -12.017 -0.547 1.00 0.00 H new ATOM 1291 N ILE A 88 1.254 -10.236 0.235 1.00 0.00 N ATOM 1292 CA ILE A 88 2.646 -9.880 0.005 1.00 0.00 C ATOM 1293 C ILE A 88 3.257 -10.700 -1.136 1.00 0.00 C ATOM 1294 O ILE A 88 4.008 -10.166 -1.953 1.00 0.00 O ATOM 1295 CB ILE A 88 3.456 -10.015 1.320 1.00 0.00 C ATOM 1296 CG1 ILE A 88 3.303 -8.739 2.169 1.00 0.00 C ATOM 1297 CG2 ILE A 88 4.924 -10.313 1.056 1.00 0.00 C ATOM 1298 CD1 ILE A 88 1.882 -8.416 2.576 1.00 0.00 C ATOM 0 H ILE A 88 1.064 -10.583 1.175 1.00 0.00 H new ATOM 0 HA ILE A 88 2.689 -8.837 -0.310 1.00 0.00 H new ATOM 0 HB ILE A 88 3.052 -10.862 1.874 1.00 0.00 H new ATOM 0 HG12 ILE A 88 3.909 -8.843 3.069 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.706 -7.896 1.609 1.00 0.00 H new ATOM 0 HG21 ILE A 88 5.454 -10.400 2.005 1.00 0.00 H new ATOM 0 HG22 ILE A 88 5.012 -11.249 0.505 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.360 -9.504 0.469 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.872 -7.502 3.170 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.271 -8.275 1.684 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.477 -9.237 3.167 1.00 0.00 H new ATOM 1310 N GLY A 89 2.917 -11.984 -1.197 1.00 0.00 N ATOM 1311 CA GLY A 89 3.427 -12.842 -2.258 1.00 0.00 C ATOM 1312 C GLY A 89 2.992 -12.386 -3.644 1.00 0.00 C ATOM 1313 O GLY A 89 3.768 -12.453 -4.599 1.00 0.00 O ATOM 0 H GLY A 89 2.298 -12.448 -0.532 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.516 -12.862 -2.212 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.083 -13.863 -2.091 1.00 0.00 H new ATOM 1317 N ASP A 90 1.742 -11.932 -3.755 1.00 0.00 N ATOM 1318 CA ASP A 90 1.186 -11.466 -5.030 1.00 0.00 C ATOM 1319 C ASP A 90 1.929 -10.239 -5.566 1.00 0.00 C ATOM 1320 O ASP A 90 2.267 -10.182 -6.749 1.00 0.00 O ATOM 1321 CB ASP A 90 -0.301 -11.137 -4.868 1.00 0.00 C ATOM 1322 CG ASP A 90 -0.957 -10.745 -6.178 1.00 0.00 C ATOM 1323 OD1 ASP A 90 -1.015 -11.598 -7.089 1.00 0.00 O ATOM 1324 OD2 ASP A 90 -1.421 -9.590 -6.288 1.00 0.00 O ATOM 0 H ASP A 90 1.090 -11.877 -2.972 1.00 0.00 H new ATOM 0 HA ASP A 90 1.309 -12.273 -5.752 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -0.818 -12.002 -4.452 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.413 -10.323 -4.152 1.00 0.00 H new ATOM 1329 N LEU A 91 2.183 -9.264 -4.697 1.00 0.00 N ATOM 1330 CA LEU A 91 2.883 -8.040 -5.099 1.00 0.00 C ATOM 1331 C LEU A 91 4.384 -8.275 -5.250 1.00 0.00 C ATOM 1332 O LEU A 91 5.058 -7.547 -5.976 1.00 0.00 O ATOM 1333 CB LEU A 91 2.637 -6.905 -4.098 1.00 0.00 C ATOM 1334 CG LEU A 91 1.971 -5.639 -4.665 1.00 0.00 C ATOM 1335 CD1 LEU A 91 2.664 -5.187 -5.942 1.00 0.00 C ATOM 1336 CD2 LEU A 91 0.491 -5.880 -4.916 1.00 0.00 C ATOM 0 H LEU A 91 1.917 -9.294 -3.713 1.00 0.00 H new ATOM 0 HA LEU A 91 2.479 -7.749 -6.069 1.00 0.00 H new ATOM 0 HB2 LEU A 91 2.014 -7.288 -3.290 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.593 -6.622 -3.657 1.00 0.00 H new ATOM 0 HG LEU A 91 2.070 -4.844 -3.926 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.175 -4.291 -6.324 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.710 -4.967 -5.730 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.604 -5.979 -6.689 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.038 -4.973 -5.317 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.371 -6.693 -5.632 1.00 0.00 H new ATOM 0 HD23 LEU A 91 0.002 -6.147 -3.979 1.00 0.00 H new ATOM 1348 N LEU A 92 4.897 -9.296 -4.566 1.00 0.00 N ATOM 1349 CA LEU A 92 6.322 -9.627 -4.617 1.00 0.00 C ATOM 1350 C LEU A 92 6.763 -9.931 -6.046 1.00 0.00 C ATOM 1351 O LEU A 92 7.835 -9.505 -6.476 1.00 0.00 O ATOM 1352 CB LEU A 92 6.618 -10.829 -3.710 1.00 0.00 C ATOM 1353 CG LEU A 92 8.080 -11.284 -3.671 1.00 0.00 C ATOM 1354 CD1 LEU A 92 8.976 -10.177 -3.136 1.00 0.00 C ATOM 1355 CD2 LEU A 92 8.222 -12.541 -2.828 1.00 0.00 C ATOM 0 H LEU A 92 4.346 -9.911 -3.968 1.00 0.00 H new ATOM 0 HA LEU A 92 6.884 -8.763 -4.262 1.00 0.00 H new ATOM 0 HB2 LEU A 92 6.306 -10.581 -2.695 1.00 0.00 H new ATOM 0 HB3 LEU A 92 6.004 -11.668 -4.037 1.00 0.00 H new ATOM 0 HG LEU A 92 8.395 -11.513 -4.689 1.00 0.00 H new ATOM 0 HD11 LEU A 92 10.010 -10.523 -3.117 1.00 0.00 H new ATOM 0 HD12 LEU A 92 8.898 -9.302 -3.781 1.00 0.00 H new ATOM 0 HD13 LEU A 92 8.664 -9.912 -2.126 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.267 -12.851 -2.810 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.887 -12.337 -1.811 1.00 0.00 H new ATOM 0 HD23 LEU A 92 7.614 -13.338 -3.257 1.00 0.00 H new ATOM 1367 N GLN A 93 5.928 -10.666 -6.774 1.00 0.00 N ATOM 1368 CA GLN A 93 6.221 -11.026 -8.159 1.00 0.00 C ATOM 1369 C GLN A 93 6.326 -9.772 -9.031 1.00 0.00 C ATOM 1370 O GLN A 93 7.202 -9.670 -9.890 1.00 0.00 O ATOM 1371 CB GLN A 93 5.120 -11.942 -8.691 1.00 0.00 C ATOM 1372 CG GLN A 93 5.109 -13.314 -8.038 1.00 0.00 C ATOM 1373 CD GLN A 93 3.883 -14.124 -8.410 1.00 0.00 C ATOM 1374 OE1 GLN A 93 3.830 -14.742 -9.471 1.00 0.00 O ATOM 1375 NE2 GLN A 93 2.884 -14.115 -7.537 1.00 0.00 N ATOM 0 H GLN A 93 5.039 -11.026 -6.427 1.00 0.00 H new ATOM 0 HA GLN A 93 7.177 -11.548 -8.193 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.153 -11.465 -8.533 1.00 0.00 H new ATOM 0 HB3 GLN A 93 5.245 -12.061 -9.767 1.00 0.00 H new ATOM 0 HG2 GLN A 93 6.005 -13.860 -8.333 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.149 -13.198 -6.955 1.00 0.00 H new ATOM 0 HE21 GLN A 93 2.971 -13.588 -6.668 1.00 0.00 H new ATOM 0 HE22 GLN A 93 2.029 -14.635 -7.735 1.00 0.00 H new ATOM 1384 N VAL A 94 5.423 -8.823 -8.796 1.00 0.00 N ATOM 1385 CA VAL A 94 5.410 -7.562 -9.534 1.00 0.00 C ATOM 1386 C VAL A 94 6.627 -6.712 -9.150 1.00 0.00 C ATOM 1387 O VAL A 94 7.255 -6.076 -10.002 1.00 0.00 O ATOM 1388 CB VAL A 94 4.105 -6.776 -9.268 1.00 0.00 C ATOM 1389 CG1 VAL A 94 4.123 -5.428 -9.973 1.00 0.00 C ATOM 1390 CG2 VAL A 94 2.892 -7.590 -9.697 1.00 0.00 C ATOM 0 H VAL A 94 4.686 -8.904 -8.096 1.00 0.00 H new ATOM 0 HA VAL A 94 5.457 -7.791 -10.599 1.00 0.00 H new ATOM 0 HB VAL A 94 4.036 -6.593 -8.196 1.00 0.00 H new ATOM 0 HG11 VAL A 94 3.193 -4.898 -9.768 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.965 -4.838 -9.609 1.00 0.00 H new ATOM 0 HG13 VAL A 94 4.224 -5.581 -11.047 1.00 0.00 H new ATOM 0 HG21 VAL A 94 1.984 -7.020 -9.502 1.00 0.00 H new ATOM 0 HG22 VAL A 94 2.960 -7.811 -10.762 1.00 0.00 H new ATOM 0 HG23 VAL A 94 2.863 -8.523 -9.134 1.00 0.00 H new ATOM 1400 N LEU A 95 6.950 -6.720 -7.854 1.00 0.00 N ATOM 1401 CA LEU A 95 8.088 -5.967 -7.323 1.00 0.00 C ATOM 1402 C LEU A 95 9.400 -6.444 -7.934 1.00 0.00 C ATOM 1403 O LEU A 95 10.302 -5.643 -8.172 1.00 0.00 O ATOM 1404 CB LEU A 95 8.155 -6.091 -5.797 1.00 0.00 C ATOM 1405 CG LEU A 95 7.057 -5.349 -5.034 1.00 0.00 C ATOM 1406 CD1 LEU A 95 7.071 -5.742 -3.566 1.00 0.00 C ATOM 1407 CD2 LEU A 95 7.233 -3.847 -5.184 1.00 0.00 C ATOM 0 H LEU A 95 6.434 -7.245 -7.148 1.00 0.00 H new ATOM 0 HA LEU A 95 7.941 -4.921 -7.590 1.00 0.00 H new ATOM 0 HB2 LEU A 95 8.109 -7.147 -5.532 1.00 0.00 H new ATOM 0 HB3 LEU A 95 9.123 -5.720 -5.461 1.00 0.00 H new ATOM 0 HG LEU A 95 6.092 -5.629 -5.456 1.00 0.00 H new ATOM 0 HD11 LEU A 95 6.283 -5.205 -3.038 1.00 0.00 H new ATOM 0 HD12 LEU A 95 6.902 -6.815 -3.475 1.00 0.00 H new ATOM 0 HD13 LEU A 95 8.038 -5.489 -3.131 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.444 -3.332 -4.636 1.00 0.00 H new ATOM 0 HD22 LEU A 95 8.204 -3.553 -4.785 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.177 -3.578 -6.239 1.00 0.00 H new ATOM 1419 N GLN A 96 9.509 -7.752 -8.165 1.00 0.00 N ATOM 1420 CA GLN A 96 10.713 -8.329 -8.755 1.00 0.00 C ATOM 1421 C GLN A 96 10.967 -7.752 -10.146 1.00 0.00 C ATOM 1422 O GLN A 96 12.112 -7.493 -10.514 1.00 0.00 O ATOM 1423 CB GLN A 96 10.591 -9.854 -8.835 1.00 0.00 C ATOM 1424 CG GLN A 96 10.647 -10.543 -7.479 1.00 0.00 C ATOM 1425 CD GLN A 96 10.315 -12.019 -7.559 1.00 0.00 C ATOM 1426 OE1 GLN A 96 9.543 -12.450 -8.415 1.00 0.00 O ATOM 1427 NE2 GLN A 96 10.899 -12.808 -6.665 1.00 0.00 N ATOM 0 H GLN A 96 8.778 -8.430 -7.952 1.00 0.00 H new ATOM 0 HA GLN A 96 11.558 -8.074 -8.115 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.651 -10.110 -9.324 1.00 0.00 H new ATOM 0 HB3 GLN A 96 11.393 -10.242 -9.463 1.00 0.00 H new ATOM 0 HG2 GLN A 96 11.644 -10.421 -7.055 1.00 0.00 H new ATOM 0 HG3 GLN A 96 9.950 -10.054 -6.799 1.00 0.00 H new ATOM 0 HE21 GLN A 96 11.533 -12.411 -5.972 1.00 0.00 H new ATOM 0 HE22 GLN A 96 10.714 -13.811 -6.672 1.00 0.00 H new ATOM 1436 N GLU A 97 9.895 -7.564 -10.918 1.00 0.00 N ATOM 1437 CA GLU A 97 10.006 -6.995 -12.261 1.00 0.00 C ATOM 1438 C GLU A 97 10.538 -5.561 -12.191 1.00 0.00 C ATOM 1439 O GLU A 97 11.399 -5.167 -12.976 1.00 0.00 O ATOM 1440 CB GLU A 97 8.641 -7.023 -12.966 1.00 0.00 C ATOM 1441 CG GLU A 97 8.666 -6.476 -14.389 1.00 0.00 C ATOM 1442 CD GLU A 97 9.504 -7.317 -15.337 1.00 0.00 C ATOM 1443 OE1 GLU A 97 9.759 -8.500 -15.020 1.00 0.00 O ATOM 1444 OE2 GLU A 97 9.903 -6.793 -16.398 1.00 0.00 O ATOM 0 H GLU A 97 8.943 -7.797 -10.637 1.00 0.00 H new ATOM 0 HA GLU A 97 10.709 -7.598 -12.836 1.00 0.00 H new ATOM 0 HB2 GLU A 97 8.277 -8.050 -12.989 1.00 0.00 H new ATOM 0 HB3 GLU A 97 7.928 -6.445 -12.378 1.00 0.00 H new ATOM 0 HG2 GLU A 97 7.646 -6.420 -14.768 1.00 0.00 H new ATOM 0 HG3 GLU A 97 9.057 -5.459 -14.374 1.00 0.00 H new ATOM 1451 N MET A 98 9.999 -4.784 -11.250 1.00 0.00 N ATOM 1452 CA MET A 98 10.420 -3.395 -11.050 1.00 0.00 C ATOM 1453 C MET A 98 11.839 -3.303 -10.495 1.00 0.00 C ATOM 1454 O MET A 98 12.594 -2.399 -10.852 1.00 0.00 O ATOM 1455 CB MET A 98 9.443 -2.661 -10.130 1.00 0.00 C ATOM 1456 CG MET A 98 8.087 -2.397 -10.764 1.00 0.00 C ATOM 1457 SD MET A 98 8.203 -1.349 -12.229 1.00 0.00 S ATOM 1458 CE MET A 98 8.133 -2.566 -13.540 1.00 0.00 C ATOM 0 H MET A 98 9.267 -5.094 -10.611 1.00 0.00 H new ATOM 0 HA MET A 98 10.416 -2.914 -12.028 1.00 0.00 H new ATOM 0 HB2 MET A 98 9.302 -3.248 -9.222 1.00 0.00 H new ATOM 0 HB3 MET A 98 9.885 -1.711 -9.830 1.00 0.00 H new ATOM 0 HG2 MET A 98 7.625 -3.346 -11.036 1.00 0.00 H new ATOM 0 HG3 MET A 98 7.433 -1.922 -10.032 1.00 0.00 H new ATOM 0 HE1 MET A 98 7.533 -2.179 -14.364 1.00 0.00 H new ATOM 0 HE2 MET A 98 9.142 -2.778 -13.894 1.00 0.00 H new ATOM 0 HE3 MET A 98 7.681 -3.483 -13.161 1.00 0.00 H new ATOM 1468 N GLY A 99 12.195 -4.238 -9.620 1.00 0.00 N ATOM 1469 CA GLY A 99 13.520 -4.228 -9.027 1.00 0.00 C ATOM 1470 C GLY A 99 13.608 -3.318 -7.816 1.00 0.00 C ATOM 1471 O GLY A 99 14.665 -2.753 -7.532 1.00 0.00 O ATOM 0 H GLY A 99 11.592 -5.000 -9.312 1.00 0.00 H new ATOM 0 HA2 GLY A 99 13.792 -5.243 -8.736 1.00 0.00 H new ATOM 0 HA3 GLY A 99 14.246 -3.906 -9.773 1.00 0.00 H new ATOM 1475 N HIS A 100 12.493 -3.172 -7.104 1.00 0.00 N ATOM 1476 CA HIS A 100 12.446 -2.320 -5.916 1.00 0.00 C ATOM 1477 C HIS A 100 13.158 -2.985 -4.739 1.00 0.00 C ATOM 1478 O HIS A 100 12.584 -3.819 -4.035 1.00 0.00 O ATOM 1479 CB HIS A 100 10.998 -2.001 -5.541 1.00 0.00 C ATOM 1480 CG HIS A 100 10.860 -0.779 -4.684 1.00 0.00 C ATOM 1481 ND1 HIS A 100 9.755 -0.218 -4.136 1.00 0.00 N flip ATOM 1482 CD2 HIS A 100 11.920 0.010 -4.296 1.00 0.00 C flip ATOM 1483 CE1 HIS A 100 10.128 0.908 -3.410 1.00 0.00 C flip ATOM 1484 NE2 HIS A 100 11.436 1.002 -3.538 1.00 0.00 N flip ATOM 0 H HIS A 100 11.610 -3.632 -7.328 1.00 0.00 H new ATOM 0 HA HIS A 100 12.962 -1.389 -6.150 1.00 0.00 H new ATOM 0 HB2 HIS A 100 10.416 -1.864 -6.453 1.00 0.00 H new ATOM 0 HB3 HIS A 100 10.570 -2.855 -5.015 1.00 0.00 H new ATOM 0 HD2 HIS A 100 12.957 -0.144 -4.557 1.00 0.00 H new ATOM 0 HE1 HIS A 100 9.479 1.569 -2.855 1.00 0.00 H new ATOM 0 HE2 HIS A 100 12.006 1.735 -3.115 1.00 0.00 H new ATOM 1491 N ARG A 101 14.414 -2.598 -4.540 1.00 0.00 N ATOM 1492 CA ARG A 101 15.245 -3.136 -3.468 1.00 0.00 C ATOM 1493 C ARG A 101 14.711 -2.789 -2.078 1.00 0.00 C ATOM 1494 O ARG A 101 14.712 -3.634 -1.183 1.00 0.00 O ATOM 1495 CB ARG A 101 16.661 -2.592 -3.611 1.00 0.00 C ATOM 1496 CG ARG A 101 17.409 -3.140 -4.817 1.00 0.00 C ATOM 1497 CD ARG A 101 18.765 -2.475 -4.983 1.00 0.00 C ATOM 1498 NE ARG A 101 19.652 -2.750 -3.854 1.00 0.00 N ATOM 1499 CZ ARG A 101 20.837 -2.170 -3.688 1.00 0.00 C ATOM 1500 NH1 ARG A 101 21.582 -2.474 -2.633 1.00 0.00 N ATOM 1501 NH2 ARG A 101 21.277 -1.289 -4.576 1.00 0.00 N ATOM 0 H ARG A 101 14.885 -1.902 -5.118 1.00 0.00 H new ATOM 0 HA ARG A 101 15.233 -4.222 -3.560 1.00 0.00 H new ATOM 0 HB2 ARG A 101 16.617 -1.505 -3.685 1.00 0.00 H new ATOM 0 HB3 ARG A 101 17.224 -2.828 -2.708 1.00 0.00 H new ATOM 0 HG2 ARG A 101 17.542 -4.216 -4.705 1.00 0.00 H new ATOM 0 HG3 ARG A 101 16.814 -2.984 -5.717 1.00 0.00 H new ATOM 0 HD2 ARG A 101 19.231 -2.826 -5.904 1.00 0.00 H new ATOM 0 HD3 ARG A 101 18.631 -1.398 -5.084 1.00 0.00 H new ATOM 0 HE ARG A 101 19.344 -3.425 -3.154 1.00 0.00 H new ATOM 0 HH11 ARG A 101 21.246 -3.152 -1.950 1.00 0.00 H new ATOM 0 HH12 ARG A 101 22.491 -2.029 -2.505 1.00 0.00 H new ATOM 0 HH21 ARG A 101 20.706 -1.055 -5.388 1.00 0.00 H new ATOM 0 HH22 ARG A 101 22.186 -0.845 -4.447 1.00 0.00 H new ATOM 1515 N ARG A 102 14.253 -1.550 -1.902 1.00 0.00 N ATOM 1516 CA ARG A 102 13.736 -1.101 -0.608 1.00 0.00 C ATOM 1517 C ARG A 102 12.515 -1.914 -0.200 1.00 0.00 C ATOM 1518 O ARG A 102 12.364 -2.289 0.966 1.00 0.00 O ATOM 1519 CB ARG A 102 13.379 0.387 -0.646 1.00 0.00 C ATOM 1520 CG ARG A 102 12.950 0.938 0.706 1.00 0.00 C ATOM 1521 CD ARG A 102 14.121 1.023 1.675 1.00 0.00 C ATOM 1522 NE ARG A 102 15.131 1.982 1.232 1.00 0.00 N ATOM 1523 CZ ARG A 102 16.309 2.142 1.829 1.00 0.00 C ATOM 1524 NH1 ARG A 102 17.171 3.036 1.367 1.00 0.00 N ATOM 1525 NH2 ARG A 102 16.624 1.405 2.887 1.00 0.00 N ATOM 0 H ARG A 102 14.229 -0.841 -2.635 1.00 0.00 H new ATOM 0 HA ARG A 102 14.523 -1.253 0.131 1.00 0.00 H new ATOM 0 HB2 ARG A 102 14.240 0.951 -1.004 1.00 0.00 H new ATOM 0 HB3 ARG A 102 12.575 0.542 -1.366 1.00 0.00 H new ATOM 0 HG2 ARG A 102 12.514 1.928 0.574 1.00 0.00 H new ATOM 0 HG3 ARG A 102 12.173 0.301 1.129 1.00 0.00 H new ATOM 0 HD2 ARG A 102 13.755 1.311 2.661 1.00 0.00 H new ATOM 0 HD3 ARG A 102 14.577 0.039 1.779 1.00 0.00 H new ATOM 0 HE ARG A 102 14.921 2.561 0.419 1.00 0.00 H new ATOM 0 HH11 ARG A 102 16.932 3.602 0.553 1.00 0.00 H new ATOM 0 HH12 ARG A 102 18.074 3.158 1.825 1.00 0.00 H new ATOM 0 HH21 ARG A 102 15.963 0.715 3.243 1.00 0.00 H new ATOM 0 HH22 ARG A 102 17.528 1.529 3.344 1.00 0.00 H new ATOM 1539 N ALA A 103 11.645 -2.183 -1.169 1.00 0.00 N ATOM 1540 CA ALA A 103 10.437 -2.960 -0.921 1.00 0.00 C ATOM 1541 C ALA A 103 10.799 -4.353 -0.430 1.00 0.00 C ATOM 1542 O ALA A 103 10.142 -4.894 0.451 1.00 0.00 O ATOM 1543 CB ALA A 103 9.581 -3.047 -2.172 1.00 0.00 C ATOM 0 H ALA A 103 11.755 -1.873 -2.135 1.00 0.00 H new ATOM 0 HA ALA A 103 9.858 -2.453 -0.149 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.686 -3.632 -1.960 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.293 -2.044 -2.486 1.00 0.00 H new ATOM 0 HB3 ALA A 103 10.149 -3.528 -2.969 1.00 0.00 H new ATOM 1549 N ILE A 104 11.852 -4.921 -1.012 1.00 0.00 N ATOM 1550 CA ILE A 104 12.321 -6.253 -0.639 1.00 0.00 C ATOM 1551 C ILE A 104 12.771 -6.281 0.826 1.00 0.00 C ATOM 1552 O ILE A 104 12.458 -7.220 1.561 1.00 0.00 O ATOM 1553 CB ILE A 104 13.487 -6.710 -1.550 1.00 0.00 C ATOM 1554 CG1 ILE A 104 13.008 -6.852 -3.002 1.00 0.00 C ATOM 1555 CG2 ILE A 104 14.083 -8.024 -1.059 1.00 0.00 C ATOM 1556 CD1 ILE A 104 11.896 -7.865 -3.184 1.00 0.00 C ATOM 0 H ILE A 104 12.400 -4.476 -1.749 1.00 0.00 H new ATOM 0 HA ILE A 104 11.486 -6.942 -0.768 1.00 0.00 H new ATOM 0 HB ILE A 104 14.265 -5.948 -1.509 1.00 0.00 H new ATOM 0 HG12 ILE A 104 12.664 -5.881 -3.358 1.00 0.00 H new ATOM 0 HG13 ILE A 104 13.854 -7.139 -3.627 1.00 0.00 H new ATOM 0 HG21 ILE A 104 14.900 -8.322 -1.717 1.00 0.00 H new ATOM 0 HG22 ILE A 104 14.462 -7.895 -0.045 1.00 0.00 H new ATOM 0 HG23 ILE A 104 13.314 -8.796 -1.063 1.00 0.00 H new ATOM 0 HD11 ILE A 104 11.612 -7.908 -4.235 1.00 0.00 H new ATOM 0 HD12 ILE A 104 12.242 -8.847 -2.861 1.00 0.00 H new ATOM 0 HD13 ILE A 104 11.033 -7.569 -2.587 1.00 0.00 H new ATOM 1568 N HIS A 105 13.507 -5.256 1.242 1.00 0.00 N ATOM 1569 CA HIS A 105 13.997 -5.176 2.619 1.00 0.00 C ATOM 1570 C HIS A 105 12.853 -5.075 3.633 1.00 0.00 C ATOM 1571 O HIS A 105 12.889 -5.724 4.678 1.00 0.00 O ATOM 1572 CB HIS A 105 14.941 -3.982 2.788 1.00 0.00 C ATOM 1573 CG HIS A 105 16.292 -4.187 2.172 1.00 0.00 C ATOM 1574 ND1 HIS A 105 17.246 -5.036 2.684 1.00 0.00 N ATOM 1575 CD2 HIS A 105 16.845 -3.626 1.067 1.00 0.00 C ATOM 1576 CE1 HIS A 105 18.326 -4.967 1.893 1.00 0.00 C ATOM 1577 NE2 HIS A 105 18.134 -4.126 0.896 1.00 0.00 N ATOM 0 H HIS A 105 13.778 -4.471 0.650 1.00 0.00 H new ATOM 0 HA HIS A 105 14.540 -6.100 2.816 1.00 0.00 H new ATOM 0 HB2 HIS A 105 14.479 -3.100 2.344 1.00 0.00 H new ATOM 0 HB3 HIS A 105 15.064 -3.776 3.851 1.00 0.00 H new ATOM 0 HD2 HIS A 105 16.362 -2.906 0.422 1.00 0.00 H new ATOM 0 HE1 HIS A 105 19.235 -5.528 2.052 1.00 0.00 H new ATOM 0 HE2 HIS A 105 18.793 -3.890 0.154 1.00 0.00 H new ATOM 1584 N LEU A 106 11.835 -4.271 3.326 1.00 0.00 N ATOM 1585 CA LEU A 106 10.702 -4.102 4.241 1.00 0.00 C ATOM 1586 C LEU A 106 9.646 -5.203 4.087 1.00 0.00 C ATOM 1587 O LEU A 106 8.876 -5.462 5.015 1.00 0.00 O ATOM 1588 CB LEU A 106 10.060 -2.723 4.053 1.00 0.00 C ATOM 1589 CG LEU A 106 9.960 -1.863 5.323 1.00 0.00 C ATOM 1590 CD1 LEU A 106 9.608 -2.711 6.538 1.00 0.00 C ATOM 1591 CD2 LEU A 106 11.259 -1.108 5.558 1.00 0.00 C ATOM 0 H LEU A 106 11.769 -3.732 2.463 1.00 0.00 H new ATOM 0 HA LEU A 106 11.102 -4.181 5.252 1.00 0.00 H new ATOM 0 HB2 LEU A 106 10.633 -2.173 3.307 1.00 0.00 H new ATOM 0 HB3 LEU A 106 9.057 -2.860 3.648 1.00 0.00 H new ATOM 0 HG LEU A 106 9.158 -1.140 5.176 1.00 0.00 H new ATOM 0 HD11 LEU A 106 9.545 -2.074 7.420 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.648 -3.201 6.374 1.00 0.00 H new ATOM 0 HD13 LEU A 106 10.379 -3.466 6.690 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.171 -0.504 6.461 1.00 0.00 H new ATOM 0 HD22 LEU A 106 12.077 -1.819 5.675 1.00 0.00 H new ATOM 0 HD23 LEU A 106 11.462 -0.459 4.706 1.00 0.00 H new ATOM 1603 N ILE A 107 9.605 -5.851 2.927 1.00 0.00 N ATOM 1604 CA ILE A 107 8.629 -6.912 2.672 1.00 0.00 C ATOM 1605 C ILE A 107 8.878 -8.130 3.570 1.00 0.00 C ATOM 1606 O ILE A 107 7.978 -8.941 3.799 1.00 0.00 O ATOM 1607 CB ILE A 107 8.612 -7.331 1.177 1.00 0.00 C ATOM 1608 CG1 ILE A 107 7.247 -7.902 0.800 1.00 0.00 C ATOM 1609 CG2 ILE A 107 9.707 -8.345 0.867 1.00 0.00 C ATOM 1610 CD1 ILE A 107 7.024 -7.995 -0.697 1.00 0.00 C ATOM 0 H ILE A 107 10.235 -5.662 2.147 1.00 0.00 H new ATOM 0 HA ILE A 107 7.648 -6.505 2.916 1.00 0.00 H new ATOM 0 HB ILE A 107 8.803 -6.438 0.582 1.00 0.00 H new ATOM 0 HG12 ILE A 107 7.144 -8.895 1.237 1.00 0.00 H new ATOM 0 HG13 ILE A 107 6.467 -7.278 1.238 1.00 0.00 H new ATOM 0 HG21 ILE A 107 9.665 -8.615 -0.188 1.00 0.00 H new ATOM 0 HG22 ILE A 107 10.681 -7.909 1.091 1.00 0.00 H new ATOM 0 HG23 ILE A 107 9.560 -9.237 1.476 1.00 0.00 H new ATOM 0 HD11 ILE A 107 6.035 -8.409 -0.892 1.00 0.00 H new ATOM 0 HD12 ILE A 107 7.095 -7.001 -1.138 1.00 0.00 H new ATOM 0 HD13 ILE A 107 7.782 -8.642 -1.138 1.00 0.00 H new ATOM 1622 N THR A 108 10.101 -8.238 4.090 1.00 0.00 N ATOM 1623 CA THR A 108 10.481 -9.349 4.962 1.00 0.00 C ATOM 1624 C THR A 108 9.799 -9.258 6.331 1.00 0.00 C ATOM 1625 O THR A 108 9.850 -10.200 7.119 1.00 0.00 O ATOM 1626 CB THR A 108 12.008 -9.409 5.171 1.00 0.00 C ATOM 1627 OG1 THR A 108 12.469 -8.207 5.805 1.00 0.00 O ATOM 1628 CG2 THR A 108 12.733 -9.599 3.846 1.00 0.00 C ATOM 0 H THR A 108 10.849 -7.565 3.921 1.00 0.00 H new ATOM 0 HA THR A 108 10.149 -10.257 4.458 1.00 0.00 H new ATOM 0 HB THR A 108 12.227 -10.263 5.812 1.00 0.00 H new ATOM 0 HG1 THR A 108 12.504 -7.482 5.146 1.00 0.00 H new ATOM 0 HG21 THR A 108 13.808 -9.638 4.022 1.00 0.00 H new ATOM 0 HG22 THR A 108 12.407 -10.530 3.383 1.00 0.00 H new ATOM 0 HG23 THR A 108 12.504 -8.765 3.183 1.00 0.00 H new ATOM 1636 N ASN A 109 9.171 -8.113 6.608 1.00 0.00 N ATOM 1637 CA ASN A 109 8.479 -7.905 7.881 1.00 0.00 C ATOM 1638 C ASN A 109 7.220 -8.770 7.966 1.00 0.00 C ATOM 1639 O ASN A 109 6.762 -9.111 9.056 1.00 0.00 O ATOM 1640 CB ASN A 109 8.117 -6.428 8.052 1.00 0.00 C ATOM 1641 CG ASN A 109 7.826 -6.065 9.494 1.00 0.00 C ATOM 1642 OD1 ASN A 109 8.453 -6.582 10.416 1.00 0.00 O ATOM 1643 ND2 ASN A 109 6.874 -5.164 9.698 1.00 0.00 N ATOM 0 H ASN A 109 9.128 -7.318 5.970 1.00 0.00 H new ATOM 0 HA ASN A 109 9.152 -8.200 8.686 1.00 0.00 H new ATOM 0 HB2 ASN A 109 8.937 -5.811 7.684 1.00 0.00 H new ATOM 0 HB3 ASN A 109 7.245 -6.198 7.440 1.00 0.00 H new ATOM 0 HD21 ASN A 109 6.639 -4.877 10.648 1.00 0.00 H new ATOM 0 HD22 ASN A 109 6.377 -4.759 8.905 1.00 0.00 H new ATOM 1650 N TYR A 110 6.656 -9.107 6.808 1.00 0.00 N ATOM 1651 CA TYR A 110 5.458 -9.944 6.744 1.00 0.00 C ATOM 1652 C TYR A 110 5.776 -11.372 7.195 1.00 0.00 C ATOM 1653 O TYR A 110 6.704 -12.000 6.686 1.00 0.00 O ATOM 1654 CB TYR A 110 4.909 -9.941 5.309 1.00 0.00 C ATOM 1655 CG TYR A 110 3.775 -10.916 5.061 1.00 0.00 C ATOM 1656 CD1 TYR A 110 2.466 -10.627 5.442 1.00 0.00 C ATOM 1657 CD2 TYR A 110 4.018 -12.131 4.431 1.00 0.00 C ATOM 1658 CE1 TYR A 110 1.443 -11.521 5.204 1.00 0.00 C ATOM 1659 CE2 TYR A 110 2.997 -13.028 4.189 1.00 0.00 C ATOM 1660 CZ TYR A 110 1.714 -12.718 4.576 1.00 0.00 C ATOM 1661 OH TYR A 110 0.695 -13.611 4.341 1.00 0.00 O ATOM 0 H TYR A 110 7.010 -8.813 5.898 1.00 0.00 H new ATOM 0 HA TYR A 110 4.702 -9.539 7.417 1.00 0.00 H new ATOM 0 HB2 TYR A 110 4.564 -8.935 5.069 1.00 0.00 H new ATOM 0 HB3 TYR A 110 5.724 -10.171 4.623 1.00 0.00 H new ATOM 0 HD1 TYR A 110 2.249 -9.689 5.931 1.00 0.00 H new ATOM 0 HD2 TYR A 110 5.024 -12.378 4.125 1.00 0.00 H new ATOM 0 HE1 TYR A 110 0.434 -11.284 5.508 1.00 0.00 H new ATOM 0 HE2 TYR A 110 3.204 -13.968 3.699 1.00 0.00 H new ATOM 0 HH TYR A 110 1.053 -14.404 3.890 1.00 0.00 H new