USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 669 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 150 HIS :FLIP no HD1:sc= -0.607 F(o=-1.2,f=-0.29) USER MOD Set 1.2: A 154 TYR OH : rot 164:sc= 0.315 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= -1.31 K(o=-1.3,f=-2.3!) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -5.2 K(o=-5.2,f=-6.2!) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= 0.0759 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 THR OG1 : rot 56:sc= 1.15 USER MOD Single : A 134 SER OG : rot 41:sc= 0.555 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 HIS : no HD1:sc= -0.282 X(o=-0.28,f=0.047) USER MOD Single : A 142 THR OG1 : rot 180:sc= -0.243 USER MOD Single : A 147 THR OG1 : rot 180:sc= 0 USER MOD Single : A 148 THR OG1 : rot 70:sc= 0.409 USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 SER OG : rot 60:sc= -2.83! USER MOD Single : A 161 ASN : amide:sc= -1.27 K(o=-1.3,f=-2.4) USER MOD Single : A 164 HIS : no HD1:sc= -1.25 K(o=-1.3,f=-4.2!) USER MOD Single : A 166 LYS NZ :NH3+ 179:sc= 0.0714 (180deg=0.071) USER MOD Single : A 170 THR OG1 : rot 180:sc= 0 USER MOD Single : A 171 THR OG1 : rot -63:sc= 0.591 USER MOD ----------------------------------------------------------------- ATOM 257 N PRO A 87 -5.777 2.623 -16.447 1.00 0.00 N ATOM 258 CA PRO A 87 -4.683 1.948 -15.747 1.00 0.00 C ATOM 259 C PRO A 87 -3.311 2.454 -16.186 1.00 0.00 C ATOM 260 O PRO A 87 -3.050 2.602 -17.379 1.00 0.00 O ATOM 261 CB PRO A 87 -4.866 0.488 -16.150 1.00 0.00 C ATOM 262 CG PRO A 87 -5.475 0.550 -17.508 1.00 0.00 C ATOM 263 CD PRO A 87 -6.343 1.782 -17.522 1.00 0.00 C ATOM 0 HA PRO A 87 -4.716 2.120 -14.671 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -3.914 -0.042 -16.166 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -5.513 -0.039 -15.449 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -4.705 0.607 -18.278 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -6.064 -0.344 -17.712 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -6.305 2.287 -18.487 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -7.388 1.538 -17.331 1.00 0.00 H new ATOM 271 N PRO A 88 -2.407 2.719 -15.224 1.00 0.00 N ATOM 272 CA PRO A 88 -1.054 3.200 -15.528 1.00 0.00 C ATOM 273 C PRO A 88 -0.214 2.137 -16.226 1.00 0.00 C ATOM 274 O PRO A 88 -0.743 1.135 -16.709 1.00 0.00 O ATOM 275 CB PRO A 88 -0.473 3.518 -14.147 1.00 0.00 C ATOM 276 CG PRO A 88 -1.231 2.642 -13.213 1.00 0.00 C ATOM 277 CD PRO A 88 -2.624 2.564 -13.772 1.00 0.00 C ATOM 0 HA PRO A 88 -1.063 4.053 -16.207 1.00 0.00 H new ATOM 0 HB2 PRO A 88 0.596 3.308 -14.108 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -0.601 4.571 -13.896 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -0.778 1.652 -13.149 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -1.236 3.056 -12.205 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -3.102 1.614 -13.534 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -3.264 3.351 -13.373 1.00 0.00 H new ATOM 285 N ASP A 89 1.096 2.352 -16.265 1.00 0.00 N ATOM 286 CA ASP A 89 2.003 1.415 -16.885 1.00 0.00 C ATOM 287 C ASP A 89 2.853 0.739 -15.822 1.00 0.00 C ATOM 288 O ASP A 89 3.145 1.326 -14.780 1.00 0.00 O ATOM 289 CB ASP A 89 2.897 2.125 -17.903 1.00 0.00 C ATOM 290 CG ASP A 89 2.107 3.012 -18.846 1.00 0.00 C ATOM 291 OD1 ASP A 89 1.098 2.534 -19.405 1.00 0.00 O ATOM 292 OD2 ASP A 89 2.499 4.185 -19.025 1.00 0.00 O1- ATOM 0 H ASP A 89 1.549 3.176 -15.869 1.00 0.00 H new ATOM 0 HA ASP A 89 1.419 0.659 -17.409 1.00 0.00 H new ATOM 0 HB2 ASP A 89 3.636 2.728 -17.375 1.00 0.00 H new ATOM 0 HB3 ASP A 89 3.446 1.382 -18.482 1.00 0.00 H new ATOM 297 N GLU A 90 3.245 -0.495 -16.087 1.00 0.00 N ATOM 298 CA GLU A 90 4.058 -1.257 -15.157 1.00 0.00 C ATOM 299 C GLU A 90 5.272 -0.456 -14.694 1.00 0.00 C ATOM 300 O GLU A 90 5.820 -0.709 -13.621 1.00 0.00 O ATOM 301 CB GLU A 90 4.515 -2.558 -15.807 1.00 0.00 C ATOM 302 CG GLU A 90 4.909 -2.413 -17.268 1.00 0.00 C ATOM 303 CD GLU A 90 5.729 -3.586 -17.769 1.00 0.00 C ATOM 304 OE1 GLU A 90 5.297 -4.741 -17.571 1.00 0.00 O ATOM 305 OE2 GLU A 90 6.804 -3.348 -18.359 1.00 0.00 O1- ATOM 0 H GLU A 90 3.011 -0.993 -16.946 1.00 0.00 H new ATOM 0 HA GLU A 90 3.446 -1.482 -14.283 1.00 0.00 H new ATOM 0 HB2 GLU A 90 5.365 -2.952 -15.249 1.00 0.00 H new ATOM 0 HB3 GLU A 90 3.714 -3.293 -15.728 1.00 0.00 H new ATOM 0 HG2 GLU A 90 4.009 -2.317 -17.876 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.480 -1.494 -17.397 1.00 0.00 H new ATOM 312 N GLU A 91 5.684 0.517 -15.503 1.00 0.00 N ATOM 313 CA GLU A 91 6.828 1.355 -15.165 1.00 0.00 C ATOM 314 C GLU A 91 6.644 1.971 -13.784 1.00 0.00 C ATOM 315 O GLU A 91 7.523 1.887 -12.927 1.00 0.00 O ATOM 316 CB GLU A 91 6.998 2.464 -16.204 1.00 0.00 C ATOM 317 CG GLU A 91 7.176 1.948 -17.622 1.00 0.00 C ATOM 318 CD GLU A 91 8.536 1.314 -17.847 1.00 0.00 C ATOM 319 OE1 GLU A 91 8.940 0.470 -17.019 1.00 0.00 O ATOM 320 OE2 GLU A 91 9.195 1.660 -18.849 1.00 0.00 O1- ATOM 0 H GLU A 91 5.243 0.743 -16.395 1.00 0.00 H new ATOM 0 HA GLU A 91 7.722 0.731 -15.160 1.00 0.00 H new ATOM 0 HB2 GLU A 91 6.126 3.118 -16.171 1.00 0.00 H new ATOM 0 HB3 GLU A 91 7.862 3.072 -15.936 1.00 0.00 H new ATOM 0 HG2 GLU A 91 6.398 1.216 -17.838 1.00 0.00 H new ATOM 0 HG3 GLU A 91 7.043 2.772 -18.324 1.00 0.00 H new ATOM 327 N LEU A 92 5.486 2.584 -13.583 1.00 0.00 N ATOM 328 CA LEU A 92 5.163 3.216 -12.315 1.00 0.00 C ATOM 329 C LEU A 92 4.705 2.182 -11.289 1.00 0.00 C ATOM 330 O LEU A 92 4.804 2.408 -10.083 1.00 0.00 O ATOM 331 CB LEU A 92 4.081 4.275 -12.519 1.00 0.00 C ATOM 332 CG LEU A 92 3.885 5.248 -11.353 1.00 0.00 C ATOM 333 CD1 LEU A 92 3.169 4.566 -10.198 1.00 0.00 C ATOM 334 CD2 LEU A 92 5.222 5.814 -10.898 1.00 0.00 C ATOM 0 H LEU A 92 4.752 2.656 -14.287 1.00 0.00 H new ATOM 0 HA LEU A 92 6.064 3.696 -11.932 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.323 4.850 -13.413 1.00 0.00 H new ATOM 0 HB3 LEU A 92 3.134 3.770 -12.712 1.00 0.00 H new ATOM 0 HG LEU A 92 3.263 6.074 -11.698 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.040 5.275 -9.380 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.192 4.215 -10.532 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.761 3.718 -9.853 1.00 0.00 H new ATOM 0 HD21 LEU A 92 5.062 6.503 -10.069 1.00 0.00 H new ATOM 0 HD22 LEU A 92 5.870 5.000 -10.573 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.693 6.345 -11.725 1.00 0.00 H new ATOM 346 N ILE A 93 4.208 1.041 -11.769 1.00 0.00 N ATOM 347 CA ILE A 93 3.747 -0.012 -10.878 1.00 0.00 C ATOM 348 C ILE A 93 4.922 -0.702 -10.198 1.00 0.00 C ATOM 349 O ILE A 93 4.843 -1.075 -9.027 1.00 0.00 O ATOM 350 CB ILE A 93 2.909 -1.058 -11.637 1.00 0.00 C ATOM 351 CG1 ILE A 93 1.761 -0.372 -12.379 1.00 0.00 C ATOM 352 CG2 ILE A 93 2.373 -2.109 -10.676 1.00 0.00 C ATOM 353 CD1 ILE A 93 0.965 -1.308 -13.259 1.00 0.00 C ATOM 0 H ILE A 93 4.117 0.828 -12.762 1.00 0.00 H new ATOM 0 HA ILE A 93 3.120 0.458 -10.120 1.00 0.00 H new ATOM 0 HB ILE A 93 3.547 -1.557 -12.367 1.00 0.00 H new ATOM 0 HG12 ILE A 93 1.091 0.086 -11.651 1.00 0.00 H new ATOM 0 HG13 ILE A 93 2.165 0.434 -12.992 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.783 -2.840 -11.229 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.206 -2.611 -10.185 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.745 -1.629 -9.925 1.00 0.00 H new ATOM 0 HD11 ILE A 93 0.168 -0.753 -13.754 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.621 -1.747 -14.010 1.00 0.00 H new ATOM 0 HD13 ILE A 93 0.531 -2.100 -12.649 1.00 0.00 H new ATOM 365 N LYS A 94 6.016 -0.862 -10.935 1.00 0.00 N ATOM 366 CA LYS A 94 7.208 -1.498 -10.395 1.00 0.00 C ATOM 367 C LYS A 94 7.894 -0.579 -9.391 1.00 0.00 C ATOM 368 O LYS A 94 8.446 -1.037 -8.393 1.00 0.00 O ATOM 369 CB LYS A 94 8.177 -1.864 -11.521 1.00 0.00 C ATOM 370 CG LYS A 94 7.582 -2.811 -12.551 1.00 0.00 C ATOM 371 CD LYS A 94 8.499 -3.994 -12.821 1.00 0.00 C ATOM 372 CE LYS A 94 7.809 -5.052 -13.667 1.00 0.00 C ATOM 373 NZ LYS A 94 6.889 -5.898 -12.858 1.00 0.00 N1+ ATOM 0 H LYS A 94 6.100 -0.560 -11.906 1.00 0.00 H new ATOM 0 HA LYS A 94 6.907 -2.412 -9.883 1.00 0.00 H new ATOM 0 HB2 LYS A 94 8.500 -0.952 -12.022 1.00 0.00 H new ATOM 0 HB3 LYS A 94 9.067 -2.322 -11.089 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.616 -3.172 -12.199 1.00 0.00 H new ATOM 0 HG3 LYS A 94 7.401 -2.271 -13.480 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.399 -3.649 -13.330 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.816 -4.433 -11.875 1.00 0.00 H new ATOM 0 HE2 LYS A 94 7.248 -4.568 -14.467 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.560 -5.684 -14.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 6.439 -6.606 -13.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 7.428 -6.380 -12.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 6.157 -5.299 -12.426 1.00 0.00 H new ATOM 387 N LYS A 95 7.843 0.723 -9.653 1.00 0.00 N ATOM 388 CA LYS A 95 8.448 1.701 -8.758 1.00 0.00 C ATOM 389 C LYS A 95 7.752 1.667 -7.403 1.00 0.00 C ATOM 390 O LYS A 95 8.399 1.604 -6.357 1.00 0.00 O ATOM 391 CB LYS A 95 8.359 3.105 -9.359 1.00 0.00 C ATOM 392 CG LYS A 95 9.133 3.261 -10.658 1.00 0.00 C ATOM 393 CD LYS A 95 10.611 3.518 -10.402 1.00 0.00 C ATOM 394 CE LYS A 95 11.125 4.688 -11.225 1.00 0.00 C ATOM 395 NZ LYS A 95 11.364 4.306 -12.645 1.00 0.00 N1+ ATOM 0 H LYS A 95 7.391 1.124 -10.475 1.00 0.00 H new ATOM 0 HA LYS A 95 9.500 1.447 -8.625 1.00 0.00 H new ATOM 0 HB2 LYS A 95 7.312 3.349 -9.538 1.00 0.00 H new ATOM 0 HB3 LYS A 95 8.734 3.826 -8.633 1.00 0.00 H new ATOM 0 HG2 LYS A 95 9.019 2.360 -11.261 1.00 0.00 H new ATOM 0 HG3 LYS A 95 8.714 4.086 -11.235 1.00 0.00 H new ATOM 0 HD2 LYS A 95 10.768 3.721 -9.343 1.00 0.00 H new ATOM 0 HD3 LYS A 95 11.184 2.623 -10.643 1.00 0.00 H new ATOM 0 HE2 LYS A 95 10.404 5.504 -11.185 1.00 0.00 H new ATOM 0 HE3 LYS A 95 12.052 5.060 -10.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 11.714 5.131 -13.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 12.071 3.544 -12.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 10.474 3.975 -13.070 1.00 0.00 H new ATOM 409 N LEU A 96 6.424 1.695 -7.437 1.00 0.00 N ATOM 410 CA LEU A 96 5.621 1.655 -6.223 1.00 0.00 C ATOM 411 C LEU A 96 5.893 0.378 -5.438 1.00 0.00 C ATOM 412 O LEU A 96 6.359 0.417 -4.298 1.00 0.00 O ATOM 413 CB LEU A 96 4.135 1.722 -6.581 1.00 0.00 C ATOM 414 CG LEU A 96 3.438 3.014 -6.194 1.00 0.00 C ATOM 415 CD1 LEU A 96 2.359 3.361 -7.207 1.00 0.00 C ATOM 416 CD2 LEU A 96 2.856 2.899 -4.794 1.00 0.00 C ATOM 0 H LEU A 96 5.880 1.746 -8.298 1.00 0.00 H new ATOM 0 HA LEU A 96 5.891 2.512 -5.606 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.029 1.578 -7.656 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.622 0.891 -6.096 1.00 0.00 H new ATOM 0 HG LEU A 96 4.170 3.821 -6.193 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.870 4.290 -6.914 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.810 3.484 -8.192 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.622 2.559 -7.243 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.359 3.832 -4.529 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.134 2.083 -4.766 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.657 2.700 -4.082 1.00 0.00 H new ATOM 428 N VAL A 97 5.586 -0.752 -6.062 1.00 0.00 N ATOM 429 CA VAL A 97 5.778 -2.053 -5.441 1.00 0.00 C ATOM 430 C VAL A 97 7.209 -2.227 -4.936 1.00 0.00 C ATOM 431 O VAL A 97 7.459 -2.988 -4.000 1.00 0.00 O ATOM 432 CB VAL A 97 5.423 -3.187 -6.423 1.00 0.00 C ATOM 433 CG1 VAL A 97 6.510 -3.374 -7.471 1.00 0.00 C ATOM 434 CG2 VAL A 97 5.165 -4.481 -5.671 1.00 0.00 C ATOM 0 H VAL A 97 5.200 -0.791 -7.005 1.00 0.00 H new ATOM 0 HA VAL A 97 5.107 -2.106 -4.584 1.00 0.00 H new ATOM 0 HB VAL A 97 4.509 -2.905 -6.946 1.00 0.00 H new ATOM 0 HG11 VAL A 97 6.228 -4.181 -8.147 1.00 0.00 H new ATOM 0 HG12 VAL A 97 6.631 -2.451 -8.038 1.00 0.00 H new ATOM 0 HG13 VAL A 97 7.450 -3.624 -6.979 1.00 0.00 H new ATOM 0 HG21 VAL A 97 4.916 -5.270 -6.380 1.00 0.00 H new ATOM 0 HG22 VAL A 97 6.059 -4.762 -5.114 1.00 0.00 H new ATOM 0 HG23 VAL A 97 4.335 -4.340 -4.979 1.00 0.00 H new ATOM 444 N ASP A 98 8.144 -1.510 -5.552 1.00 0.00 N ATOM 445 CA ASP A 98 9.544 -1.581 -5.153 1.00 0.00 C ATOM 446 C ASP A 98 9.726 -1.002 -3.755 1.00 0.00 C ATOM 447 O ASP A 98 10.570 -1.460 -2.985 1.00 0.00 O ATOM 448 CB ASP A 98 10.424 -0.824 -6.147 1.00 0.00 C ATOM 449 CG ASP A 98 11.901 -0.973 -5.843 1.00 0.00 C ATOM 450 OD1 ASP A 98 12.466 -2.044 -6.151 1.00 0.00 O1- ATOM 451 OD2 ASP A 98 12.494 -0.020 -5.295 1.00 0.00 O ATOM 0 H ASP A 98 7.957 -0.875 -6.328 1.00 0.00 H new ATOM 0 HA ASP A 98 9.845 -2.629 -5.145 1.00 0.00 H new ATOM 0 HB2 ASP A 98 10.225 -1.188 -7.155 1.00 0.00 H new ATOM 0 HB3 ASP A 98 10.158 0.233 -6.132 1.00 0.00 H new ATOM 456 N GLN A 99 8.923 0.007 -3.436 1.00 0.00 N ATOM 457 CA GLN A 99 8.986 0.652 -2.131 1.00 0.00 C ATOM 458 C GLN A 99 8.511 -0.301 -1.038 1.00 0.00 C ATOM 459 O GLN A 99 9.065 -0.326 0.061 1.00 0.00 O ATOM 460 CB GLN A 99 8.136 1.924 -2.124 1.00 0.00 C ATOM 461 CG GLN A 99 8.944 3.195 -2.323 1.00 0.00 C ATOM 462 CD GLN A 99 9.947 3.429 -1.210 1.00 0.00 C ATOM 463 OE1 GLN A 99 9.585 3.851 -0.112 1.00 0.00 O ATOM 464 NE2 GLN A 99 11.215 3.153 -1.489 1.00 0.00 N ATOM 0 H GLN A 99 8.220 0.396 -4.065 1.00 0.00 H new ATOM 0 HA GLN A 99 10.023 0.921 -1.932 1.00 0.00 H new ATOM 0 HB2 GLN A 99 7.385 1.854 -2.911 1.00 0.00 H new ATOM 0 HB3 GLN A 99 7.600 1.988 -1.177 1.00 0.00 H new ATOM 0 HG2 GLN A 99 9.470 3.141 -3.276 1.00 0.00 H new ATOM 0 HG3 GLN A 99 8.266 4.047 -2.381 1.00 0.00 H new ATOM 0 HE21 GLN A 99 11.470 2.805 -2.413 1.00 0.00 H new ATOM 0 HE22 GLN A 99 11.935 3.289 -0.779 1.00 0.00 H new ATOM 473 N ILE A 100 7.484 -1.085 -1.350 1.00 0.00 N ATOM 474 CA ILE A 100 6.940 -2.039 -0.397 1.00 0.00 C ATOM 475 C ILE A 100 7.969 -3.099 -0.059 1.00 0.00 C ATOM 476 O ILE A 100 8.418 -3.211 1.082 1.00 0.00 O ATOM 477 CB ILE A 100 5.680 -2.738 -0.940 1.00 0.00 C ATOM 478 CG1 ILE A 100 4.821 -1.771 -1.760 1.00 0.00 C ATOM 479 CG2 ILE A 100 4.876 -3.311 0.209 1.00 0.00 C ATOM 480 CD1 ILE A 100 4.594 -0.445 -1.075 1.00 0.00 C ATOM 0 H ILE A 100 7.014 -1.077 -2.255 1.00 0.00 H new ATOM 0 HA ILE A 100 6.673 -1.473 0.496 1.00 0.00 H new ATOM 0 HB ILE A 100 5.993 -3.548 -1.599 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.301 -1.597 -2.723 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.857 -2.236 -1.964 1.00 0.00 H new ATOM 0 HG21 ILE A 100 3.986 -3.804 -0.180 1.00 0.00 H new ATOM 0 HG22 ILE A 100 5.483 -4.035 0.753 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.580 -2.507 0.883 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.978 0.192 -1.710 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.086 -0.609 -0.124 1.00 0.00 H new ATOM 0 HD13 ILE A 100 5.553 0.041 -0.895 1.00 0.00 H new ATOM 492 N GLU A 101 8.360 -3.863 -1.069 1.00 0.00 N ATOM 493 CA GLU A 101 9.366 -4.908 -0.890 1.00 0.00 C ATOM 494 C GLU A 101 10.582 -4.347 -0.155 1.00 0.00 C ATOM 495 O GLU A 101 11.342 -5.083 0.473 1.00 0.00 O ATOM 496 CB GLU A 101 9.787 -5.483 -2.243 1.00 0.00 C ATOM 497 CG GLU A 101 10.206 -6.944 -2.180 1.00 0.00 C ATOM 498 CD GLU A 101 11.613 -7.171 -2.696 1.00 0.00 C ATOM 499 OE1 GLU A 101 11.822 -7.056 -3.922 1.00 0.00 O ATOM 500 OE2 GLU A 101 12.507 -7.466 -1.874 1.00 0.00 O1- ATOM 0 H GLU A 101 7.999 -3.782 -2.020 1.00 0.00 H new ATOM 0 HA GLU A 101 8.931 -5.710 -0.293 1.00 0.00 H new ATOM 0 HB2 GLU A 101 8.959 -5.381 -2.945 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.614 -4.893 -2.638 1.00 0.00 H new ATOM 0 HG2 GLU A 101 10.141 -7.292 -1.149 1.00 0.00 H new ATOM 0 HG3 GLU A 101 9.508 -7.544 -2.764 1.00 0.00 H new ATOM 507 N PHE A 102 10.739 -3.028 -0.233 1.00 0.00 N ATOM 508 CA PHE A 102 11.835 -2.334 0.427 1.00 0.00 C ATOM 509 C PHE A 102 11.459 -2.042 1.874 1.00 0.00 C ATOM 510 O PHE A 102 12.255 -2.232 2.793 1.00 0.00 O ATOM 511 CB PHE A 102 12.129 -1.030 -0.323 1.00 0.00 C ATOM 512 CG PHE A 102 12.942 -0.028 0.450 1.00 0.00 C ATOM 513 CD1 PHE A 102 12.342 0.776 1.407 1.00 0.00 C ATOM 514 CD2 PHE A 102 14.299 0.118 0.212 1.00 0.00 C ATOM 515 CE1 PHE A 102 13.082 1.706 2.113 1.00 0.00 C ATOM 516 CE2 PHE A 102 15.044 1.047 0.914 1.00 0.00 C ATOM 517 CZ PHE A 102 14.435 1.842 1.866 1.00 0.00 C ATOM 0 H PHE A 102 10.112 -2.415 -0.754 1.00 0.00 H new ATOM 0 HA PHE A 102 12.728 -2.959 0.419 1.00 0.00 H new ATOM 0 HB2 PHE A 102 12.656 -1.269 -1.247 1.00 0.00 H new ATOM 0 HB3 PHE A 102 11.183 -0.569 -0.606 1.00 0.00 H new ATOM 0 HD1 PHE A 102 11.285 0.675 1.603 1.00 0.00 H new ATOM 0 HD2 PHE A 102 14.780 -0.501 -0.531 1.00 0.00 H new ATOM 0 HE1 PHE A 102 12.603 2.326 2.857 1.00 0.00 H new ATOM 0 HE2 PHE A 102 16.101 1.151 0.719 1.00 0.00 H new ATOM 0 HZ PHE A 102 15.015 2.568 2.416 1.00 0.00 H new ATOM 527 N TYR A 103 10.231 -1.581 2.054 1.00 0.00 N ATOM 528 CA TYR A 103 9.704 -1.250 3.372 1.00 0.00 C ATOM 529 C TYR A 103 9.750 -2.459 4.305 1.00 0.00 C ATOM 530 O TYR A 103 10.310 -2.398 5.400 1.00 0.00 O ATOM 531 CB TYR A 103 8.258 -0.745 3.236 1.00 0.00 C ATOM 532 CG TYR A 103 7.219 -1.653 3.873 1.00 0.00 C ATOM 533 CD1 TYR A 103 6.998 -1.616 5.241 1.00 0.00 C ATOM 534 CD2 TYR A 103 6.469 -2.547 3.112 1.00 0.00 C ATOM 535 CE1 TYR A 103 6.065 -2.437 5.838 1.00 0.00 C ATOM 536 CE2 TYR A 103 5.531 -3.374 3.704 1.00 0.00 C ATOM 537 CZ TYR A 103 5.333 -3.314 5.067 1.00 0.00 C ATOM 538 OH TYR A 103 4.401 -4.134 5.661 1.00 0.00 O ATOM 0 H TYR A 103 9.571 -1.425 1.292 1.00 0.00 H new ATOM 0 HA TYR A 103 10.326 -0.467 3.805 1.00 0.00 H new ATOM 0 HB2 TYR A 103 8.186 0.244 3.688 1.00 0.00 H new ATOM 0 HB3 TYR A 103 8.023 -0.629 2.178 1.00 0.00 H new ATOM 0 HD1 TYR A 103 7.568 -0.931 5.851 1.00 0.00 H new ATOM 0 HD2 TYR A 103 6.622 -2.595 2.044 1.00 0.00 H new ATOM 0 HE1 TYR A 103 5.908 -2.393 6.906 1.00 0.00 H new ATOM 0 HE2 TYR A 103 4.957 -4.063 3.102 1.00 0.00 H new ATOM 0 HH TYR A 103 3.972 -4.690 4.978 1.00 0.00 H new ATOM 548 N PHE A 104 9.121 -3.543 3.868 1.00 0.00 N ATOM 549 CA PHE A 104 9.038 -4.767 4.657 1.00 0.00 C ATOM 550 C PHE A 104 10.375 -5.508 4.745 1.00 0.00 C ATOM 551 O PHE A 104 10.461 -6.562 5.377 1.00 0.00 O ATOM 552 CB PHE A 104 7.948 -5.675 4.071 1.00 0.00 C ATOM 553 CG PHE A 104 7.997 -7.101 4.543 1.00 0.00 C ATOM 554 CD1 PHE A 104 7.339 -7.485 5.701 1.00 0.00 C ATOM 555 CD2 PHE A 104 8.697 -8.058 3.826 1.00 0.00 C ATOM 556 CE1 PHE A 104 7.379 -8.797 6.133 1.00 0.00 C ATOM 557 CE2 PHE A 104 8.741 -9.370 4.253 1.00 0.00 C ATOM 558 CZ PHE A 104 8.082 -9.740 5.408 1.00 0.00 C ATOM 0 H PHE A 104 8.656 -3.599 2.962 1.00 0.00 H new ATOM 0 HA PHE A 104 8.778 -4.488 5.678 1.00 0.00 H new ATOM 0 HB2 PHE A 104 6.973 -5.257 4.321 1.00 0.00 H new ATOM 0 HB3 PHE A 104 8.030 -5.663 2.984 1.00 0.00 H new ATOM 0 HD1 PHE A 104 6.789 -6.751 6.272 1.00 0.00 H new ATOM 0 HD2 PHE A 104 9.215 -7.774 2.922 1.00 0.00 H new ATOM 0 HE1 PHE A 104 6.861 -9.085 7.036 1.00 0.00 H new ATOM 0 HE2 PHE A 104 9.290 -10.106 3.684 1.00 0.00 H new ATOM 0 HZ PHE A 104 8.116 -10.766 5.745 1.00 0.00 H new ATOM 568 N SER A 105 11.423 -4.959 4.145 1.00 0.00 N ATOM 569 CA SER A 105 12.732 -5.594 4.212 1.00 0.00 C ATOM 570 C SER A 105 13.162 -5.734 5.673 1.00 0.00 C ATOM 571 O SER A 105 12.983 -4.809 6.463 1.00 0.00 O ATOM 572 CB SER A 105 13.767 -4.780 3.434 1.00 0.00 C ATOM 573 OG SER A 105 14.734 -5.624 2.833 1.00 0.00 O ATOM 0 H SER A 105 11.394 -4.089 3.614 1.00 0.00 H new ATOM 0 HA SER A 105 12.665 -6.584 3.760 1.00 0.00 H new ATOM 0 HB2 SER A 105 13.267 -4.190 2.666 1.00 0.00 H new ATOM 0 HB3 SER A 105 14.260 -4.077 4.105 1.00 0.00 H new ATOM 0 HG SER A 105 15.383 -5.079 2.340 1.00 0.00 H new ATOM 579 N ASP A 106 13.712 -6.893 6.030 1.00 0.00 N ATOM 580 CA ASP A 106 14.152 -7.151 7.407 1.00 0.00 C ATOM 581 C ASP A 106 14.827 -5.924 8.026 1.00 0.00 C ATOM 582 O ASP A 106 14.357 -5.370 9.023 1.00 0.00 O ATOM 583 CB ASP A 106 15.121 -8.337 7.443 1.00 0.00 C ATOM 584 CG ASP A 106 16.036 -8.387 6.233 1.00 0.00 C ATOM 585 OD1 ASP A 106 15.522 -8.571 5.109 1.00 0.00 O1- ATOM 586 OD2 ASP A 106 17.263 -8.244 6.410 1.00 0.00 O ATOM 0 H ASP A 106 13.865 -7.671 5.388 1.00 0.00 H new ATOM 0 HA ASP A 106 13.263 -7.384 7.993 1.00 0.00 H new ATOM 0 HB2 ASP A 106 15.726 -8.278 8.348 1.00 0.00 H new ATOM 0 HB3 ASP A 106 14.551 -9.264 7.500 1.00 0.00 H new ATOM 591 N GLU A 107 15.930 -5.505 7.420 1.00 0.00 N ATOM 592 CA GLU A 107 16.680 -4.346 7.892 1.00 0.00 C ATOM 593 C GLU A 107 15.849 -3.074 7.814 1.00 0.00 C ATOM 594 O GLU A 107 16.173 -2.064 8.439 1.00 0.00 O ATOM 595 CB GLU A 107 17.936 -4.174 7.049 1.00 0.00 C ATOM 596 CG GLU A 107 18.906 -5.333 7.169 1.00 0.00 C ATOM 597 CD GLU A 107 19.642 -5.345 8.493 1.00 0.00 C ATOM 598 OE1 GLU A 107 20.037 -4.257 8.963 1.00 0.00 O ATOM 599 OE2 GLU A 107 19.825 -6.441 9.062 1.00 0.00 O1- ATOM 0 H GLU A 107 16.328 -5.953 6.595 1.00 0.00 H new ATOM 0 HA GLU A 107 16.944 -4.520 8.935 1.00 0.00 H new ATOM 0 HB2 GLU A 107 17.650 -4.056 6.004 1.00 0.00 H new ATOM 0 HB3 GLU A 107 18.441 -3.255 7.346 1.00 0.00 H new ATOM 0 HG2 GLU A 107 18.362 -6.270 7.052 1.00 0.00 H new ATOM 0 HG3 GLU A 107 19.630 -5.281 6.356 1.00 0.00 H new ATOM 606 N ASN A 108 14.782 -3.132 7.038 1.00 0.00 N ATOM 607 CA ASN A 108 13.895 -1.993 6.859 1.00 0.00 C ATOM 608 C ASN A 108 12.773 -2.019 7.884 1.00 0.00 C ATOM 609 O ASN A 108 12.135 -1.004 8.140 1.00 0.00 O ATOM 610 CB ASN A 108 13.324 -1.983 5.444 1.00 0.00 C ATOM 611 CG ASN A 108 14.373 -1.626 4.409 1.00 0.00 C ATOM 612 OD1 ASN A 108 15.435 -2.245 4.347 1.00 0.00 O ATOM 613 ND2 ASN A 108 14.082 -0.622 3.595 1.00 0.00 N ATOM 0 H ASN A 108 14.505 -3.964 6.516 1.00 0.00 H new ATOM 0 HA ASN A 108 14.473 -1.081 7.008 1.00 0.00 H new ATOM 0 HB2 ASN A 108 12.908 -2.964 5.214 1.00 0.00 H new ATOM 0 HB3 ASN A 108 12.503 -1.268 5.390 1.00 0.00 H new ATOM 0 HD21 ASN A 108 14.751 -0.334 2.881 1.00 0.00 H new ATOM 0 HD22 ASN A 108 13.189 -0.137 3.682 1.00 0.00 H new ATOM 620 N LEU A 109 12.553 -3.182 8.485 1.00 0.00 N ATOM 621 CA LEU A 109 11.534 -3.333 9.494 1.00 0.00 C ATOM 622 C LEU A 109 11.939 -2.553 10.713 1.00 0.00 C ATOM 623 O LEU A 109 11.194 -1.708 11.210 1.00 0.00 O ATOM 624 CB LEU A 109 11.376 -4.800 9.837 1.00 0.00 C ATOM 625 CG LEU A 109 10.320 -5.530 9.026 1.00 0.00 C ATOM 626 CD1 LEU A 109 9.044 -5.627 9.834 1.00 0.00 C ATOM 627 CD2 LEU A 109 10.049 -4.838 7.700 1.00 0.00 C ATOM 0 H LEU A 109 13.075 -4.035 8.283 1.00 0.00 H new ATOM 0 HA LEU A 109 10.580 -2.956 9.124 1.00 0.00 H new ATOM 0 HB2 LEU A 109 12.335 -5.298 9.693 1.00 0.00 H new ATOM 0 HB3 LEU A 109 11.127 -4.887 10.895 1.00 0.00 H new ATOM 0 HG LEU A 109 10.694 -6.529 8.802 1.00 0.00 H new ATOM 0 HD11 LEU A 109 8.285 -6.151 9.253 1.00 0.00 H new ATOM 0 HD12 LEU A 109 9.238 -6.175 10.756 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.689 -4.625 10.075 1.00 0.00 H new ATOM 0 HD21 LEU A 109 9.288 -5.391 7.150 1.00 0.00 H new ATOM 0 HD22 LEU A 109 9.697 -3.823 7.885 1.00 0.00 H new ATOM 0 HD23 LEU A 109 10.967 -4.803 7.114 1.00 0.00 H new ATOM 639 N GLU A 110 13.151 -2.824 11.175 1.00 0.00 N ATOM 640 CA GLU A 110 13.687 -2.126 12.320 1.00 0.00 C ATOM 641 C GLU A 110 13.610 -0.612 12.110 1.00 0.00 C ATOM 642 O GLU A 110 13.776 0.164 13.051 1.00 0.00 O ATOM 643 CB GLU A 110 15.145 -2.509 12.605 1.00 0.00 C ATOM 644 CG GLU A 110 15.726 -3.576 11.704 1.00 0.00 C ATOM 645 CD GLU A 110 17.241 -3.628 11.781 1.00 0.00 C ATOM 646 OE1 GLU A 110 17.779 -3.593 12.907 1.00 0.00 O1- ATOM 647 OE2 GLU A 110 17.888 -3.701 10.716 1.00 0.00 O ATOM 0 H GLU A 110 13.776 -3.522 10.771 1.00 0.00 H new ATOM 0 HA GLU A 110 13.079 -2.421 13.175 1.00 0.00 H new ATOM 0 HB2 GLU A 110 15.761 -1.613 12.522 1.00 0.00 H new ATOM 0 HB3 GLU A 110 15.217 -2.851 13.637 1.00 0.00 H new ATOM 0 HG2 GLU A 110 15.316 -4.547 11.982 1.00 0.00 H new ATOM 0 HG3 GLU A 110 15.422 -3.385 10.675 1.00 0.00 H new ATOM 654 N LYS A 111 13.395 -0.202 10.859 1.00 0.00 N ATOM 655 CA LYS A 111 13.339 1.209 10.512 1.00 0.00 C ATOM 656 C LYS A 111 11.973 1.617 9.958 1.00 0.00 C ATOM 657 O LYS A 111 11.711 2.803 9.758 1.00 0.00 O ATOM 658 CB LYS A 111 14.441 1.499 9.482 1.00 0.00 C ATOM 659 CG LYS A 111 13.968 2.251 8.248 1.00 0.00 C ATOM 660 CD LYS A 111 15.101 2.464 7.257 1.00 0.00 C ATOM 661 CE LYS A 111 15.505 1.163 6.582 1.00 0.00 C ATOM 662 NZ LYS A 111 16.702 1.334 5.715 1.00 0.00 N1+ ATOM 0 H LYS A 111 13.257 -0.834 10.070 1.00 0.00 H new ATOM 0 HA LYS A 111 13.495 1.796 11.417 1.00 0.00 H new ATOM 0 HB2 LYS A 111 15.229 2.077 9.965 1.00 0.00 H new ATOM 0 HB3 LYS A 111 14.885 0.554 9.168 1.00 0.00 H new ATOM 0 HG2 LYS A 111 13.163 1.695 7.768 1.00 0.00 H new ATOM 0 HG3 LYS A 111 13.556 3.216 8.544 1.00 0.00 H new ATOM 0 HD2 LYS A 111 14.793 3.187 6.501 1.00 0.00 H new ATOM 0 HD3 LYS A 111 15.962 2.890 7.773 1.00 0.00 H new ATOM 0 HE2 LYS A 111 15.712 0.409 7.342 1.00 0.00 H new ATOM 0 HE3 LYS A 111 14.673 0.792 5.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 16.944 0.424 5.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 16.497 2.034 4.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 17.503 1.664 6.290 1.00 0.00 H new ATOM 676 N ASP A 112 11.122 0.640 9.669 1.00 0.00 N ATOM 677 CA ASP A 112 9.814 0.927 9.092 1.00 0.00 C ATOM 678 C ASP A 112 8.671 0.524 10.010 1.00 0.00 C ATOM 679 O ASP A 112 7.789 -0.255 9.637 1.00 0.00 O ATOM 680 CB ASP A 112 9.692 0.226 7.755 1.00 0.00 C ATOM 681 CG ASP A 112 8.646 0.854 6.863 1.00 0.00 C ATOM 682 OD1 ASP A 112 7.463 0.868 7.257 1.00 0.00 O ATOM 683 OD2 ASP A 112 9.010 1.330 5.767 1.00 0.00 O1- ATOM 0 H ASP A 112 11.311 -0.350 9.823 1.00 0.00 H new ATOM 0 HA ASP A 112 9.739 2.006 8.956 1.00 0.00 H new ATOM 0 HB2 ASP A 112 10.657 0.248 7.248 1.00 0.00 H new ATOM 0 HB3 ASP A 112 9.442 -0.822 7.920 1.00 0.00 H new ATOM 688 N ALA A 113 8.685 1.084 11.202 1.00 0.00 N ATOM 689 CA ALA A 113 7.646 0.820 12.188 1.00 0.00 C ATOM 690 C ALA A 113 6.384 1.630 11.887 1.00 0.00 C ATOM 691 O ALA A 113 5.357 1.460 12.541 1.00 0.00 O ATOM 692 CB ALA A 113 8.155 1.130 13.587 1.00 0.00 C ATOM 0 H ALA A 113 9.408 1.730 11.517 1.00 0.00 H new ATOM 0 HA ALA A 113 7.388 -0.238 12.135 1.00 0.00 H new ATOM 0 HB1 ALA A 113 7.368 0.928 14.314 1.00 0.00 H new ATOM 0 HB2 ALA A 113 9.020 0.505 13.806 1.00 0.00 H new ATOM 0 HB3 ALA A 113 8.442 2.180 13.645 1.00 0.00 H new ATOM 698 N PHE A 114 6.470 2.519 10.896 1.00 0.00 N ATOM 699 CA PHE A 114 5.335 3.356 10.520 1.00 0.00 C ATOM 700 C PHE A 114 4.326 2.578 9.676 1.00 0.00 C ATOM 701 O PHE A 114 3.121 2.794 9.779 1.00 0.00 O ATOM 702 CB PHE A 114 5.826 4.602 9.762 1.00 0.00 C ATOM 703 CG PHE A 114 5.832 4.452 8.263 1.00 0.00 C ATOM 704 CD1 PHE A 114 6.604 3.478 7.652 1.00 0.00 C ATOM 705 CD2 PHE A 114 5.056 5.281 7.469 1.00 0.00 C ATOM 706 CE1 PHE A 114 6.603 3.332 6.279 1.00 0.00 C ATOM 707 CE2 PHE A 114 5.051 5.140 6.094 1.00 0.00 C ATOM 708 CZ PHE A 114 5.825 4.162 5.499 1.00 0.00 C ATOM 0 H PHE A 114 7.312 2.676 10.342 1.00 0.00 H new ATOM 0 HA PHE A 114 4.829 3.672 11.432 1.00 0.00 H new ATOM 0 HB2 PHE A 114 5.193 5.448 10.028 1.00 0.00 H new ATOM 0 HB3 PHE A 114 6.836 4.842 10.096 1.00 0.00 H new ATOM 0 HD1 PHE A 114 7.215 2.824 8.257 1.00 0.00 H new ATOM 0 HD2 PHE A 114 4.448 6.046 7.930 1.00 0.00 H new ATOM 0 HE1 PHE A 114 7.211 2.569 5.816 1.00 0.00 H new ATOM 0 HE2 PHE A 114 4.443 5.793 5.486 1.00 0.00 H new ATOM 0 HZ PHE A 114 5.821 4.048 4.425 1.00 0.00 H new ATOM 718 N LEU A 115 4.828 1.682 8.832 1.00 0.00 N ATOM 719 CA LEU A 115 3.969 0.882 7.967 1.00 0.00 C ATOM 720 C LEU A 115 3.446 -0.353 8.695 1.00 0.00 C ATOM 721 O LEU A 115 2.247 -0.631 8.680 1.00 0.00 O ATOM 722 CB LEU A 115 4.731 0.463 6.702 1.00 0.00 C ATOM 723 CG LEU A 115 3.867 0.240 5.454 1.00 0.00 C ATOM 724 CD1 LEU A 115 2.980 1.450 5.190 1.00 0.00 C ATOM 725 CD2 LEU A 115 4.741 -0.054 4.239 1.00 0.00 C ATOM 0 H LEU A 115 5.825 1.492 8.729 1.00 0.00 H new ATOM 0 HA LEU A 115 3.114 1.496 7.684 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.474 1.228 6.476 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.275 -0.457 6.915 1.00 0.00 H new ATOM 0 HG LEU A 115 3.227 -0.623 5.635 1.00 0.00 H new ATOM 0 HD11 LEU A 115 2.376 1.271 4.301 1.00 0.00 H new ATOM 0 HD12 LEU A 115 2.326 1.615 6.046 1.00 0.00 H new ATOM 0 HD13 LEU A 115 3.603 2.331 5.034 1.00 0.00 H new ATOM 0 HD21 LEU A 115 4.109 -0.209 3.365 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.409 0.788 4.059 1.00 0.00 H new ATOM 0 HD23 LEU A 115 5.331 -0.952 4.424 1.00 0.00 H new ATOM 737 N LEU A 116 4.354 -1.102 9.317 1.00 0.00 N ATOM 738 CA LEU A 116 3.980 -2.320 10.031 1.00 0.00 C ATOM 739 C LEU A 116 3.497 -2.039 11.454 1.00 0.00 C ATOM 740 O LEU A 116 2.344 -2.308 11.792 1.00 0.00 O ATOM 741 CB LEU A 116 5.165 -3.288 10.073 1.00 0.00 C ATOM 742 CG LEU A 116 4.803 -4.743 10.383 1.00 0.00 C ATOM 743 CD1 LEU A 116 4.858 -5.589 9.120 1.00 0.00 C ATOM 744 CD2 LEU A 116 5.731 -5.311 11.447 1.00 0.00 C ATOM 0 H LEU A 116 5.351 -0.888 9.341 1.00 0.00 H new ATOM 0 HA LEU A 116 3.150 -2.768 9.485 1.00 0.00 H new ATOM 0 HB2 LEU A 116 5.677 -3.254 9.111 1.00 0.00 H new ATOM 0 HB3 LEU A 116 5.874 -2.938 10.824 1.00 0.00 H new ATOM 0 HG LEU A 116 3.784 -4.767 10.768 1.00 0.00 H new ATOM 0 HD11 LEU A 116 4.598 -6.620 9.361 1.00 0.00 H new ATOM 0 HD12 LEU A 116 4.151 -5.198 8.389 1.00 0.00 H new ATOM 0 HD13 LEU A 116 5.865 -5.557 8.704 1.00 0.00 H new ATOM 0 HD21 LEU A 116 5.458 -6.346 11.653 1.00 0.00 H new ATOM 0 HD22 LEU A 116 6.760 -5.272 11.091 1.00 0.00 H new ATOM 0 HD23 LEU A 116 5.641 -4.723 12.360 1.00 0.00 H new ATOM 922 N TYR A 126 -2.762 -6.255 8.684 1.00 0.00 N ATOM 923 CA TYR A 126 -2.816 -5.790 7.303 1.00 0.00 C ATOM 924 C TYR A 126 -2.538 -4.294 7.208 1.00 0.00 C ATOM 925 O TYR A 126 -2.979 -3.513 8.052 1.00 0.00 O ATOM 926 CB TYR A 126 -4.182 -6.106 6.691 1.00 0.00 C ATOM 927 CG TYR A 126 -4.301 -7.522 6.173 1.00 0.00 C ATOM 928 CD1 TYR A 126 -4.356 -8.599 7.050 1.00 0.00 C ATOM 929 CD2 TYR A 126 -4.360 -7.781 4.810 1.00 0.00 C ATOM 930 CE1 TYR A 126 -4.466 -9.894 6.580 1.00 0.00 C ATOM 931 CE2 TYR A 126 -4.469 -9.073 4.333 1.00 0.00 C ATOM 932 CZ TYR A 126 -4.523 -10.126 5.223 1.00 0.00 C ATOM 933 OH TYR A 126 -4.631 -11.415 4.752 1.00 0.00 O ATOM 0 HA TYR A 126 -2.041 -6.315 6.745 1.00 0.00 H new ATOM 0 HB2 TYR A 126 -4.955 -5.936 7.441 1.00 0.00 H new ATOM 0 HB3 TYR A 126 -4.374 -5.412 5.873 1.00 0.00 H new ATOM 0 HD1 TYR A 126 -4.312 -8.421 8.114 1.00 0.00 H new ATOM 0 HD2 TYR A 126 -4.320 -6.959 4.111 1.00 0.00 H new ATOM 0 HE1 TYR A 126 -4.507 -10.721 7.274 1.00 0.00 H new ATOM 0 HE2 TYR A 126 -4.512 -9.258 3.270 1.00 0.00 H new ATOM 0 HH TYR A 126 -4.660 -11.404 3.772 1.00 0.00 H new ATOM 943 N VAL A 127 -1.809 -3.905 6.167 1.00 0.00 N ATOM 944 CA VAL A 127 -1.473 -2.507 5.943 1.00 0.00 C ATOM 945 C VAL A 127 -2.391 -1.902 4.891 1.00 0.00 C ATOM 946 O VAL A 127 -2.575 -2.470 3.817 1.00 0.00 O ATOM 947 CB VAL A 127 -0.012 -2.356 5.482 1.00 0.00 C ATOM 948 CG1 VAL A 127 0.324 -0.899 5.213 1.00 0.00 C ATOM 949 CG2 VAL A 127 0.938 -2.957 6.507 1.00 0.00 C ATOM 0 H VAL A 127 -1.439 -4.543 5.463 1.00 0.00 H new ATOM 0 HA VAL A 127 -1.603 -1.981 6.889 1.00 0.00 H new ATOM 0 HB VAL A 127 0.109 -2.903 4.547 1.00 0.00 H new ATOM 0 HG11 VAL A 127 1.362 -0.819 4.889 1.00 0.00 H new ATOM 0 HG12 VAL A 127 -0.331 -0.513 4.432 1.00 0.00 H new ATOM 0 HG13 VAL A 127 0.183 -0.319 6.125 1.00 0.00 H new ATOM 0 HG21 VAL A 127 1.966 -2.840 6.163 1.00 0.00 H new ATOM 0 HG22 VAL A 127 0.815 -2.445 7.461 1.00 0.00 H new ATOM 0 HG23 VAL A 127 0.715 -4.017 6.632 1.00 0.00 H new ATOM 959 N SER A 128 -2.969 -0.752 5.202 1.00 0.00 N ATOM 960 CA SER A 128 -3.869 -0.093 4.270 1.00 0.00 C ATOM 961 C SER A 128 -3.096 0.611 3.158 1.00 0.00 C ATOM 962 O SER A 128 -2.169 1.381 3.418 1.00 0.00 O ATOM 963 CB SER A 128 -4.761 0.908 5.005 1.00 0.00 C ATOM 964 OG SER A 128 -4.119 1.410 6.164 1.00 0.00 O ATOM 0 H SER A 128 -2.832 -0.260 6.085 1.00 0.00 H new ATOM 0 HA SER A 128 -4.496 -0.860 3.815 1.00 0.00 H new ATOM 0 HB2 SER A 128 -5.012 1.733 4.339 1.00 0.00 H new ATOM 0 HB3 SER A 128 -5.698 0.427 5.284 1.00 0.00 H new ATOM 0 HG SER A 128 -4.710 2.049 6.614 1.00 0.00 H new ATOM 970 N VAL A 129 -3.486 0.343 1.917 1.00 0.00 N ATOM 971 CA VAL A 129 -2.832 0.952 0.767 1.00 0.00 C ATOM 972 C VAL A 129 -2.938 2.473 0.825 1.00 0.00 C ATOM 973 O VAL A 129 -2.026 3.186 0.408 1.00 0.00 O ATOM 974 CB VAL A 129 -3.426 0.440 -0.564 1.00 0.00 C ATOM 975 CG1 VAL A 129 -4.762 1.107 -0.861 1.00 0.00 C ATOM 976 CG2 VAL A 129 -2.439 0.665 -1.700 1.00 0.00 C ATOM 0 H VAL A 129 -4.250 -0.291 1.683 1.00 0.00 H new ATOM 0 HA VAL A 129 -1.781 0.664 0.806 1.00 0.00 H new ATOM 0 HB VAL A 129 -3.608 -0.631 -0.471 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -5.157 0.728 -1.804 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -5.465 0.886 -0.058 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -4.622 2.185 -0.934 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -2.869 0.300 -2.633 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -2.225 1.730 -1.791 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -1.515 0.126 -1.491 1.00 0.00 H new ATOM 986 N LYS A 130 -4.058 2.962 1.353 1.00 0.00 N ATOM 987 CA LYS A 130 -4.283 4.398 1.474 1.00 0.00 C ATOM 988 C LYS A 130 -3.132 5.061 2.223 1.00 0.00 C ATOM 989 O LYS A 130 -2.838 6.238 2.015 1.00 0.00 O ATOM 990 CB LYS A 130 -5.603 4.669 2.200 1.00 0.00 C ATOM 991 CG LYS A 130 -6.818 4.632 1.287 1.00 0.00 C ATOM 992 CD LYS A 130 -8.112 4.728 2.078 1.00 0.00 C ATOM 993 CE LYS A 130 -8.368 6.149 2.554 1.00 0.00 C ATOM 994 NZ LYS A 130 -9.234 6.180 3.766 1.00 0.00 N1+ ATOM 0 H LYS A 130 -4.822 2.384 1.703 1.00 0.00 H new ATOM 0 HA LYS A 130 -4.336 4.822 0.471 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -5.731 3.931 2.992 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -5.550 5.646 2.681 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -6.764 5.455 0.574 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -6.812 3.708 0.708 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -8.944 4.395 1.458 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -8.066 4.058 2.937 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -7.418 6.635 2.774 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -8.841 6.720 1.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -9.385 7.166 4.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -10.150 5.739 3.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -8.772 5.657 4.537 1.00 0.00 H new ATOM 1008 N LEU A 131 -2.478 4.292 3.088 1.00 0.00 N ATOM 1009 CA LEU A 131 -1.354 4.792 3.859 1.00 0.00 C ATOM 1010 C LEU A 131 -0.098 4.837 2.995 1.00 0.00 C ATOM 1011 O LEU A 131 0.653 5.812 3.025 1.00 0.00 O ATOM 1012 CB LEU A 131 -1.137 3.910 5.092 1.00 0.00 C ATOM 1013 CG LEU A 131 0.314 3.769 5.541 1.00 0.00 C ATOM 1014 CD1 LEU A 131 0.881 5.122 5.936 1.00 0.00 C ATOM 1015 CD2 LEU A 131 0.427 2.776 6.688 1.00 0.00 C ATOM 0 H LEU A 131 -2.712 3.316 3.270 1.00 0.00 H new ATOM 0 HA LEU A 131 -1.572 5.807 4.192 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -1.718 4.319 5.918 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -1.534 2.917 4.883 1.00 0.00 H new ATOM 0 HG LEU A 131 0.899 3.385 4.705 1.00 0.00 H new ATOM 0 HD11 LEU A 131 1.917 5.004 6.254 1.00 0.00 H new ATOM 0 HD12 LEU A 131 0.838 5.798 5.082 1.00 0.00 H new ATOM 0 HD13 LEU A 131 0.295 5.537 6.756 1.00 0.00 H new ATOM 0 HD21 LEU A 131 1.470 2.690 6.993 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -0.170 3.124 7.531 1.00 0.00 H new ATOM 0 HD23 LEU A 131 0.063 1.802 6.363 1.00 0.00 H new ATOM 1027 N LEU A 132 0.122 3.778 2.221 1.00 0.00 N ATOM 1028 CA LEU A 132 1.288 3.702 1.347 1.00 0.00 C ATOM 1029 C LEU A 132 1.354 4.912 0.421 1.00 0.00 C ATOM 1030 O LEU A 132 2.434 5.348 0.027 1.00 0.00 O ATOM 1031 CB LEU A 132 1.241 2.422 0.511 1.00 0.00 C ATOM 1032 CG LEU A 132 1.822 1.182 1.189 1.00 0.00 C ATOM 1033 CD1 LEU A 132 1.193 0.976 2.557 1.00 0.00 C ATOM 1034 CD2 LEU A 132 1.611 -0.043 0.314 1.00 0.00 C ATOM 0 H LEU A 132 -0.490 2.963 2.181 1.00 0.00 H new ATOM 0 HA LEU A 132 2.179 3.692 1.975 1.00 0.00 H new ATOM 0 HB2 LEU A 132 0.204 2.219 0.245 1.00 0.00 H new ATOM 0 HB3 LEU A 132 1.781 2.595 -0.420 1.00 0.00 H new ATOM 0 HG LEU A 132 2.893 1.331 1.326 1.00 0.00 H new ATOM 0 HD11 LEU A 132 1.620 0.088 3.024 1.00 0.00 H new ATOM 0 HD12 LEU A 132 1.391 1.846 3.183 1.00 0.00 H new ATOM 0 HD13 LEU A 132 0.116 0.846 2.447 1.00 0.00 H new ATOM 0 HD21 LEU A 132 2.029 -0.920 0.808 1.00 0.00 H new ATOM 0 HD22 LEU A 132 0.544 -0.194 0.150 1.00 0.00 H new ATOM 0 HD23 LEU A 132 2.108 0.105 -0.645 1.00 0.00 H new ATOM 1046 N THR A 133 0.187 5.445 0.076 1.00 0.00 N ATOM 1047 CA THR A 133 0.100 6.598 -0.803 1.00 0.00 C ATOM 1048 C THR A 133 0.550 7.863 -0.086 1.00 0.00 C ATOM 1049 O THR A 133 1.258 8.695 -0.651 1.00 0.00 O ATOM 1050 CB THR A 133 -1.335 6.756 -1.294 1.00 0.00 C ATOM 1051 OG1 THR A 133 -2.244 6.150 -0.392 1.00 0.00 O ATOM 1052 CG2 THR A 133 -1.562 6.143 -2.652 1.00 0.00 C ATOM 0 H THR A 133 -0.715 5.092 0.396 1.00 0.00 H new ATOM 0 HA THR A 133 0.761 6.439 -1.655 1.00 0.00 H new ATOM 0 HB THR A 133 -1.505 7.831 -1.360 1.00 0.00 H new ATOM 0 HG1 THR A 133 -2.117 6.527 0.503 1.00 0.00 H new ATOM 0 HG21 THR A 133 -2.601 6.287 -2.947 1.00 0.00 H new ATOM 0 HG22 THR A 133 -0.908 6.621 -3.381 1.00 0.00 H new ATOM 0 HG23 THR A 133 -1.341 5.076 -2.611 1.00 0.00 H new ATOM 1060 N SER A 134 0.139 7.990 1.166 1.00 0.00 N ATOM 1061 CA SER A 134 0.501 9.145 1.977 1.00 0.00 C ATOM 1062 C SER A 134 1.942 9.031 2.467 1.00 0.00 C ATOM 1063 O SER A 134 2.474 9.951 3.089 1.00 0.00 O ATOM 1064 CB SER A 134 -0.450 9.276 3.167 1.00 0.00 C ATOM 1065 OG SER A 134 -1.005 8.020 3.518 1.00 0.00 O ATOM 0 H SER A 134 -0.447 7.306 1.645 1.00 0.00 H new ATOM 0 HA SER A 134 0.417 10.038 1.357 1.00 0.00 H new ATOM 0 HB2 SER A 134 0.086 9.691 4.020 1.00 0.00 H new ATOM 0 HB3 SER A 134 -1.250 9.975 2.922 1.00 0.00 H new ATOM 0 HG SER A 134 -0.312 7.329 3.463 1.00 0.00 H new ATOM 1071 N PHE A 135 2.567 7.894 2.177 1.00 0.00 N ATOM 1072 CA PHE A 135 3.943 7.647 2.576 1.00 0.00 C ATOM 1073 C PHE A 135 4.892 8.620 1.874 1.00 0.00 C ATOM 1074 O PHE A 135 5.049 8.581 0.656 1.00 0.00 O ATOM 1075 CB PHE A 135 4.313 6.198 2.256 1.00 0.00 C ATOM 1076 CG PHE A 135 5.710 5.809 2.661 1.00 0.00 C ATOM 1077 CD1 PHE A 135 6.364 6.472 3.689 1.00 0.00 C ATOM 1078 CD2 PHE A 135 6.362 4.767 2.022 1.00 0.00 C ATOM 1079 CE1 PHE A 135 7.640 6.105 4.068 1.00 0.00 C ATOM 1080 CE2 PHE A 135 7.639 4.396 2.396 1.00 0.00 C ATOM 1081 CZ PHE A 135 8.280 5.065 3.420 1.00 0.00 C ATOM 0 H PHE A 135 2.136 7.126 1.663 1.00 0.00 H new ATOM 0 HA PHE A 135 4.039 7.808 3.650 1.00 0.00 H new ATOM 0 HB2 PHE A 135 3.605 5.536 2.756 1.00 0.00 H new ATOM 0 HB3 PHE A 135 4.200 6.035 1.184 1.00 0.00 H new ATOM 0 HD1 PHE A 135 5.869 7.285 4.199 1.00 0.00 H new ATOM 0 HD2 PHE A 135 5.866 4.238 1.222 1.00 0.00 H new ATOM 0 HE1 PHE A 135 8.138 6.630 4.870 1.00 0.00 H new ATOM 0 HE2 PHE A 135 8.136 3.583 1.888 1.00 0.00 H new ATOM 0 HZ PHE A 135 9.278 4.777 3.714 1.00 0.00 H new ATOM 1091 N LYS A 136 5.500 9.507 2.658 1.00 0.00 N ATOM 1092 CA LYS A 136 6.419 10.520 2.133 1.00 0.00 C ATOM 1093 C LYS A 136 7.379 9.958 1.082 1.00 0.00 C ATOM 1094 O LYS A 136 7.821 10.683 0.190 1.00 0.00 O ATOM 1095 CB LYS A 136 7.220 11.143 3.280 1.00 0.00 C ATOM 1096 CG LYS A 136 7.366 12.652 3.170 1.00 0.00 C ATOM 1097 CD LYS A 136 8.577 13.152 3.942 1.00 0.00 C ATOM 1098 CE LYS A 136 9.745 13.448 3.015 1.00 0.00 C ATOM 1099 NZ LYS A 136 10.660 12.282 2.884 1.00 0.00 N1+ ATOM 0 H LYS A 136 5.372 9.546 3.669 1.00 0.00 H new ATOM 0 HA LYS A 136 5.810 11.279 1.643 1.00 0.00 H new ATOM 0 HB2 LYS A 136 6.734 10.901 4.225 1.00 0.00 H new ATOM 0 HB3 LYS A 136 8.212 10.691 3.307 1.00 0.00 H new ATOM 0 HG2 LYS A 136 7.460 12.934 2.121 1.00 0.00 H new ATOM 0 HG3 LYS A 136 6.466 13.135 3.551 1.00 0.00 H new ATOM 0 HD2 LYS A 136 8.311 14.054 4.494 1.00 0.00 H new ATOM 0 HD3 LYS A 136 8.875 12.405 4.677 1.00 0.00 H new ATOM 0 HE2 LYS A 136 9.366 13.724 2.031 1.00 0.00 H new ATOM 0 HE3 LYS A 136 10.301 14.305 3.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 11.443 12.525 2.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 11.042 12.034 3.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 10.136 11.471 2.498 1.00 0.00 H new ATOM 1113 N LYS A 137 7.708 8.677 1.188 1.00 0.00 N ATOM 1114 CA LYS A 137 8.623 8.048 0.240 1.00 0.00 C ATOM 1115 C LYS A 137 7.895 7.628 -1.035 1.00 0.00 C ATOM 1116 O LYS A 137 8.496 7.544 -2.105 1.00 0.00 O ATOM 1117 CB LYS A 137 9.304 6.837 0.882 1.00 0.00 C ATOM 1118 CG LYS A 137 10.820 6.860 0.769 1.00 0.00 C ATOM 1119 CD LYS A 137 11.272 6.941 -0.680 1.00 0.00 C ATOM 1120 CE LYS A 137 12.627 7.621 -0.804 1.00 0.00 C ATOM 1121 NZ LYS A 137 13.737 6.634 -0.908 1.00 0.00 N1+ ATOM 0 H LYS A 137 7.358 8.055 1.916 1.00 0.00 H new ATOM 0 HA LYS A 137 9.383 8.781 -0.030 1.00 0.00 H new ATOM 0 HB2 LYS A 137 9.027 6.791 1.935 1.00 0.00 H new ATOM 0 HB3 LYS A 137 8.927 5.928 0.413 1.00 0.00 H new ATOM 0 HG2 LYS A 137 11.214 7.713 1.322 1.00 0.00 H new ATOM 0 HG3 LYS A 137 11.233 5.963 1.230 1.00 0.00 H new ATOM 0 HD2 LYS A 137 11.327 5.937 -1.102 1.00 0.00 H new ATOM 0 HD3 LYS A 137 10.533 7.491 -1.263 1.00 0.00 H new ATOM 0 HE2 LYS A 137 12.631 8.265 -1.683 1.00 0.00 H new ATOM 0 HE3 LYS A 137 12.792 8.262 0.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 14.643 7.138 -0.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 13.750 6.036 -0.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 13.594 6.038 -1.748 1.00 0.00 H new ATOM 1135 N VAL A 138 6.600 7.361 -0.911 1.00 0.00 N ATOM 1136 CA VAL A 138 5.793 6.944 -2.048 1.00 0.00 C ATOM 1137 C VAL A 138 5.282 8.152 -2.837 1.00 0.00 C ATOM 1138 O VAL A 138 5.219 8.121 -4.065 1.00 0.00 O ATOM 1139 CB VAL A 138 4.599 6.071 -1.590 1.00 0.00 C ATOM 1140 CG1 VAL A 138 3.490 6.047 -2.634 1.00 0.00 C ATOM 1141 CG2 VAL A 138 5.064 4.655 -1.268 1.00 0.00 C ATOM 0 H VAL A 138 6.087 7.427 -0.032 1.00 0.00 H new ATOM 0 HA VAL A 138 6.432 6.349 -2.700 1.00 0.00 H new ATOM 0 HB VAL A 138 4.190 6.519 -0.684 1.00 0.00 H new ATOM 0 HG11 VAL A 138 2.669 5.425 -2.278 1.00 0.00 H new ATOM 0 HG12 VAL A 138 3.129 7.061 -2.805 1.00 0.00 H new ATOM 0 HG13 VAL A 138 3.877 5.638 -3.567 1.00 0.00 H new ATOM 0 HG21 VAL A 138 4.211 4.056 -0.948 1.00 0.00 H new ATOM 0 HG22 VAL A 138 5.509 4.207 -2.157 1.00 0.00 H new ATOM 0 HG23 VAL A 138 5.805 4.688 -0.469 1.00 0.00 H new ATOM 1151 N LYS A 139 4.906 9.206 -2.123 1.00 0.00 N ATOM 1152 CA LYS A 139 4.388 10.416 -2.758 1.00 0.00 C ATOM 1153 C LYS A 139 5.351 10.965 -3.805 1.00 0.00 C ATOM 1154 O LYS A 139 4.933 11.631 -4.752 1.00 0.00 O ATOM 1155 CB LYS A 139 4.103 11.492 -1.715 1.00 0.00 C ATOM 1156 CG LYS A 139 5.280 11.783 -0.800 1.00 0.00 C ATOM 1157 CD LYS A 139 6.204 12.835 -1.396 1.00 0.00 C ATOM 1158 CE LYS A 139 6.043 14.177 -0.700 1.00 0.00 C ATOM 1159 NZ LYS A 139 6.748 15.267 -1.428 1.00 0.00 N1+ ATOM 0 H LYS A 139 4.949 9.249 -1.105 1.00 0.00 H new ATOM 0 HA LYS A 139 3.460 10.140 -3.259 1.00 0.00 H new ATOM 0 HB2 LYS A 139 3.814 12.411 -2.224 1.00 0.00 H new ATOM 0 HB3 LYS A 139 3.251 11.182 -1.109 1.00 0.00 H new ATOM 0 HG2 LYS A 139 4.914 12.125 0.168 1.00 0.00 H new ATOM 0 HG3 LYS A 139 5.840 10.865 -0.622 1.00 0.00 H new ATOM 0 HD2 LYS A 139 7.238 12.502 -1.312 1.00 0.00 H new ATOM 0 HD3 LYS A 139 5.991 12.947 -2.459 1.00 0.00 H new ATOM 0 HE2 LYS A 139 4.983 14.420 -0.620 1.00 0.00 H new ATOM 0 HE3 LYS A 139 6.432 14.108 0.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 6.614 16.166 -0.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 7.763 15.048 -1.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 6.360 15.350 -2.389 1.00 0.00 H new ATOM 1173 N HIS A 140 6.637 10.679 -3.641 1.00 0.00 N ATOM 1174 CA HIS A 140 7.643 11.146 -4.587 1.00 0.00 C ATOM 1175 C HIS A 140 7.541 10.392 -5.915 1.00 0.00 C ATOM 1176 O HIS A 140 8.351 10.599 -6.817 1.00 0.00 O ATOM 1177 CB HIS A 140 9.045 10.974 -3.998 1.00 0.00 C ATOM 1178 CG HIS A 140 10.004 12.047 -4.415 1.00 0.00 C ATOM 1179 ND1 HIS A 140 10.726 12.801 -3.515 1.00 0.00 N ATOM 1180 CD2 HIS A 140 10.359 12.488 -5.645 1.00 0.00 C ATOM 1181 CE1 HIS A 140 11.483 13.661 -4.174 1.00 0.00 C ATOM 1182 NE2 HIS A 140 11.279 13.492 -5.467 1.00 0.00 N ATOM 0 H HIS A 140 7.007 10.129 -2.866 1.00 0.00 H new ATOM 0 HA HIS A 140 7.461 12.204 -4.777 1.00 0.00 H new ATOM 0 HB2 HIS A 140 8.975 10.963 -2.910 1.00 0.00 H new ATOM 0 HB3 HIS A 140 9.442 10.005 -4.301 1.00 0.00 H new ATOM 0 HD2 HIS A 140 9.988 12.119 -6.590 1.00 0.00 H new ATOM 0 HE1 HIS A 140 12.155 14.380 -3.730 1.00 0.00 H new ATOM 0 HE2 HIS A 140 11.731 14.021 -6.213 1.00 0.00 H new ATOM 1191 N LEU A 141 6.547 9.512 -6.021 1.00 0.00 N ATOM 1192 CA LEU A 141 6.347 8.722 -7.228 1.00 0.00 C ATOM 1193 C LEU A 141 5.459 9.447 -8.238 1.00 0.00 C ATOM 1194 O LEU A 141 5.952 10.015 -9.213 1.00 0.00 O ATOM 1195 CB LEU A 141 5.732 7.373 -6.857 1.00 0.00 C ATOM 1196 CG LEU A 141 6.562 6.544 -5.878 1.00 0.00 C ATOM 1197 CD1 LEU A 141 5.727 5.422 -5.288 1.00 0.00 C ATOM 1198 CD2 LEU A 141 7.797 5.993 -6.570 1.00 0.00 C ATOM 0 H LEU A 141 5.868 9.330 -5.282 1.00 0.00 H new ATOM 0 HA LEU A 141 7.318 8.568 -7.699 1.00 0.00 H new ATOM 0 HB2 LEU A 141 4.747 7.544 -6.423 1.00 0.00 H new ATOM 0 HB3 LEU A 141 5.583 6.794 -7.768 1.00 0.00 H new ATOM 0 HG LEU A 141 6.886 7.189 -5.061 1.00 0.00 H new ATOM 0 HD11 LEU A 141 6.335 4.843 -4.593 1.00 0.00 H new ATOM 0 HD12 LEU A 141 4.873 5.844 -4.758 1.00 0.00 H new ATOM 0 HD13 LEU A 141 5.372 4.773 -6.088 1.00 0.00 H new ATOM 0 HD21 LEU A 141 8.379 5.404 -5.861 1.00 0.00 H new ATOM 0 HD22 LEU A 141 7.495 5.361 -7.405 1.00 0.00 H new ATOM 0 HD23 LEU A 141 8.405 6.818 -6.942 1.00 0.00 H new ATOM 1210 N THR A 142 4.148 9.421 -8.007 1.00 0.00 N ATOM 1211 CA THR A 142 3.201 10.071 -8.907 1.00 0.00 C ATOM 1212 C THR A 142 2.267 11.002 -8.143 1.00 0.00 C ATOM 1213 O THR A 142 2.281 11.043 -6.913 1.00 0.00 O ATOM 1214 CB THR A 142 2.376 9.022 -9.661 1.00 0.00 C ATOM 1215 OG1 THR A 142 1.517 9.642 -10.601 1.00 0.00 O ATOM 1216 CG2 THR A 142 1.522 8.167 -8.751 1.00 0.00 C ATOM 0 H THR A 142 3.719 8.958 -7.206 1.00 0.00 H new ATOM 0 HA THR A 142 3.774 10.663 -9.621 1.00 0.00 H new ATOM 0 HB THR A 142 3.105 8.380 -10.156 1.00 0.00 H new ATOM 0 HG1 THR A 142 1.000 8.957 -11.074 1.00 0.00 H new ATOM 0 HG21 THR A 142 0.964 7.446 -9.348 1.00 0.00 H new ATOM 0 HG22 THR A 142 2.161 7.637 -8.045 1.00 0.00 H new ATOM 0 HG23 THR A 142 0.825 8.802 -8.204 1.00 0.00 H new ATOM 1224 N ARG A 143 1.449 11.745 -8.884 1.00 0.00 N ATOM 1225 CA ARG A 143 0.499 12.672 -8.281 1.00 0.00 C ATOM 1226 C ARG A 143 -0.911 12.084 -8.290 1.00 0.00 C ATOM 1227 O ARG A 143 -1.898 12.811 -8.172 1.00 0.00 O ATOM 1228 CB ARG A 143 0.516 14.008 -9.027 1.00 0.00 C ATOM 1229 CG ARG A 143 1.161 15.136 -8.238 1.00 0.00 C ATOM 1230 CD ARG A 143 2.589 14.794 -7.845 1.00 0.00 C ATOM 1231 NE ARG A 143 3.061 15.614 -6.731 1.00 0.00 N ATOM 1232 CZ ARG A 143 3.361 16.906 -6.835 1.00 0.00 C ATOM 1233 NH1 ARG A 143 3.241 17.530 -8.001 1.00 0.00 N1+ ATOM 1234 NH2 ARG A 143 3.782 17.577 -5.772 1.00 0.00 N ATOM 0 H ARG A 143 1.426 11.722 -9.903 1.00 0.00 H new ATOM 0 HA ARG A 143 0.796 12.841 -7.246 1.00 0.00 H new ATOM 0 HB2 ARG A 143 1.050 13.882 -9.969 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -0.507 14.289 -9.276 1.00 0.00 H new ATOM 0 HG2 ARG A 143 1.155 16.048 -8.834 1.00 0.00 H new ATOM 0 HG3 ARG A 143 0.574 15.337 -7.342 1.00 0.00 H new ATOM 0 HD2 ARG A 143 2.647 13.741 -7.570 1.00 0.00 H new ATOM 0 HD3 ARG A 143 3.245 14.936 -8.704 1.00 0.00 H new ATOM 0 HE ARG A 143 3.167 15.169 -5.819 1.00 0.00 H new ATOM 0 HH11 ARG A 143 2.918 17.019 -8.822 1.00 0.00 H new ATOM 0 HH12 ARG A 143 3.472 18.521 -8.075 1.00 0.00 H new ATOM 0 HH21 ARG A 143 3.876 17.103 -4.874 1.00 0.00 H new ATOM 0 HH22 ARG A 143 4.012 18.568 -5.852 1.00 0.00 H new ATOM 1248 N ASP A 144 -0.998 10.763 -8.428 1.00 0.00 N ATOM 1249 CA ASP A 144 -2.284 10.076 -8.450 1.00 0.00 C ATOM 1250 C ASP A 144 -2.283 8.902 -7.480 1.00 0.00 C ATOM 1251 O ASP A 144 -2.155 7.747 -7.885 1.00 0.00 O ATOM 1252 CB ASP A 144 -2.601 9.586 -9.865 1.00 0.00 C ATOM 1253 CG ASP A 144 -2.919 10.724 -10.815 1.00 0.00 C ATOM 1254 OD1 ASP A 144 -1.977 11.429 -11.233 1.00 0.00 O1- ATOM 1255 OD2 ASP A 144 -4.111 10.910 -11.139 1.00 0.00 O ATOM 0 H ASP A 144 -0.191 10.147 -8.526 1.00 0.00 H new ATOM 0 HA ASP A 144 -3.054 10.782 -8.140 1.00 0.00 H new ATOM 0 HB2 ASP A 144 -1.751 9.022 -10.250 1.00 0.00 H new ATOM 0 HB3 ASP A 144 -3.448 8.901 -9.828 1.00 0.00 H new ATOM 1260 N TRP A 145 -2.423 9.208 -6.193 1.00 0.00 N ATOM 1261 CA TRP A 145 -2.435 8.182 -5.160 1.00 0.00 C ATOM 1262 C TRP A 145 -3.487 7.119 -5.452 1.00 0.00 C ATOM 1263 O TRP A 145 -3.366 5.977 -5.010 1.00 0.00 O ATOM 1264 CB TRP A 145 -2.667 8.817 -3.791 1.00 0.00 C ATOM 1265 CG TRP A 145 -1.420 9.423 -3.224 1.00 0.00 C ATOM 1266 CD1 TRP A 145 -0.135 9.091 -3.546 1.00 0.00 C ATOM 1267 CD2 TRP A 145 -1.335 10.463 -2.245 1.00 0.00 C ATOM 1268 NE1 TRP A 145 0.745 9.861 -2.831 1.00 0.00 N ATOM 1269 CE2 TRP A 145 0.034 10.713 -2.022 1.00 0.00 C ATOM 1270 CE3 TRP A 145 -2.281 11.209 -1.535 1.00 0.00 C ATOM 1271 CZ2 TRP A 145 0.475 11.677 -1.119 1.00 0.00 C ATOM 1272 CZ3 TRP A 145 -1.839 12.165 -0.640 1.00 0.00 C ATOM 1273 CH2 TRP A 145 -0.473 12.392 -0.439 1.00 0.00 C ATOM 0 H TRP A 145 -2.530 10.160 -5.842 1.00 0.00 H new ATOM 0 HA TRP A 145 -1.463 7.689 -5.155 1.00 0.00 H new ATOM 0 HB2 TRP A 145 -3.435 9.586 -3.876 1.00 0.00 H new ATOM 0 HB3 TRP A 145 -3.046 8.062 -3.103 1.00 0.00 H new ATOM 0 HD1 TRP A 145 0.147 8.332 -4.260 1.00 0.00 H new ATOM 0 HE1 TRP A 145 1.762 9.810 -2.890 1.00 0.00 H new ATOM 0 HE3 TRP A 145 -3.338 11.041 -1.683 1.00 0.00 H new ATOM 0 HZ2 TRP A 145 1.529 11.854 -0.961 1.00 0.00 H new ATOM 0 HZ3 TRP A 145 -2.561 12.747 -0.086 1.00 0.00 H new ATOM 0 HH2 TRP A 145 -0.161 13.147 0.267 1.00 0.00 H new ATOM 1284 N ARG A 146 -4.504 7.490 -6.220 1.00 0.00 N ATOM 1285 CA ARG A 146 -5.547 6.544 -6.586 1.00 0.00 C ATOM 1286 C ARG A 146 -4.994 5.550 -7.600 1.00 0.00 C ATOM 1287 O ARG A 146 -5.045 4.335 -7.389 1.00 0.00 O ATOM 1288 CB ARG A 146 -6.773 7.269 -7.155 1.00 0.00 C ATOM 1289 CG ARG A 146 -6.452 8.253 -8.270 1.00 0.00 C ATOM 1290 CD ARG A 146 -7.323 9.497 -8.185 1.00 0.00 C ATOM 1291 NE ARG A 146 -6.578 10.709 -8.517 1.00 0.00 N ATOM 1292 CZ ARG A 146 -6.963 11.934 -8.167 1.00 0.00 C ATOM 1293 NH1 ARG A 146 -8.081 12.117 -7.477 1.00 0.00 N1+ ATOM 1294 NH2 ARG A 146 -6.225 12.982 -8.510 1.00 0.00 N ATOM 0 H ARG A 146 -4.627 8.430 -6.597 1.00 0.00 H new ATOM 0 HA ARG A 146 -5.866 6.008 -5.692 1.00 0.00 H new ATOM 0 HB2 ARG A 146 -7.478 6.527 -7.531 1.00 0.00 H new ATOM 0 HB3 ARG A 146 -7.273 7.803 -6.347 1.00 0.00 H new ATOM 0 HG2 ARG A 146 -5.402 8.539 -8.213 1.00 0.00 H new ATOM 0 HG3 ARG A 146 -6.599 7.770 -9.236 1.00 0.00 H new ATOM 0 HD2 ARG A 146 -8.170 9.394 -8.864 1.00 0.00 H new ATOM 0 HD3 ARG A 146 -7.731 9.586 -7.178 1.00 0.00 H new ATOM 0 HE ARG A 146 -5.713 10.611 -9.048 1.00 0.00 H new ATOM 0 HH11 ARG A 146 -8.653 11.316 -7.211 1.00 0.00 H new ATOM 0 HH12 ARG A 146 -8.369 13.059 -7.213 1.00 0.00 H new ATOM 0 HH21 ARG A 146 -5.364 12.848 -9.041 1.00 0.00 H new ATOM 0 HH22 ARG A 146 -6.518 13.922 -8.243 1.00 0.00 H new ATOM 1308 N THR A 147 -4.424 6.080 -8.682 1.00 0.00 N ATOM 1309 CA THR A 147 -3.824 5.251 -9.713 1.00 0.00 C ATOM 1310 C THR A 147 -2.648 4.488 -9.131 1.00 0.00 C ATOM 1311 O THR A 147 -2.244 3.449 -9.651 1.00 0.00 O ATOM 1312 CB THR A 147 -3.414 6.106 -10.914 1.00 0.00 C ATOM 1313 OG1 THR A 147 -4.544 6.408 -11.714 1.00 0.00 O ATOM 1314 CG2 THR A 147 -2.395 5.437 -11.808 1.00 0.00 C ATOM 0 H THR A 147 -4.368 7.082 -8.862 1.00 0.00 H new ATOM 0 HA THR A 147 -4.554 4.525 -10.070 1.00 0.00 H new ATOM 0 HB THR A 147 -2.967 7.006 -10.490 1.00 0.00 H new ATOM 0 HG1 THR A 147 -4.267 6.957 -12.477 1.00 0.00 H new ATOM 0 HG21 THR A 147 -2.150 6.099 -12.639 1.00 0.00 H new ATOM 0 HG22 THR A 147 -1.492 5.224 -11.235 1.00 0.00 H new ATOM 0 HG23 THR A 147 -2.807 4.505 -12.196 1.00 0.00 H new ATOM 1322 N THR A 148 -2.129 4.995 -8.021 1.00 0.00 N ATOM 1323 CA THR A 148 -1.032 4.346 -7.336 1.00 0.00 C ATOM 1324 C THR A 148 -1.516 3.014 -6.758 1.00 0.00 C ATOM 1325 O THR A 148 -0.742 2.065 -6.600 1.00 0.00 O ATOM 1326 CB THR A 148 -0.495 5.261 -6.230 1.00 0.00 C ATOM 1327 OG1 THR A 148 0.190 6.368 -6.788 1.00 0.00 O ATOM 1328 CG2 THR A 148 0.457 4.577 -5.272 1.00 0.00 C ATOM 0 H THR A 148 -2.454 5.855 -7.579 1.00 0.00 H new ATOM 0 HA THR A 148 -0.221 4.150 -8.037 1.00 0.00 H new ATOM 0 HB THR A 148 -1.378 5.571 -5.671 1.00 0.00 H new ATOM 0 HG1 THR A 148 -0.454 6.967 -7.220 1.00 0.00 H new ATOM 0 HG21 THR A 148 0.792 5.291 -4.520 1.00 0.00 H new ATOM 0 HG22 THR A 148 -0.053 3.747 -4.783 1.00 0.00 H new ATOM 0 HG23 THR A 148 1.319 4.199 -5.823 1.00 0.00 H new ATOM 1336 N ALA A 149 -2.815 2.952 -6.457 1.00 0.00 N ATOM 1337 CA ALA A 149 -3.421 1.748 -5.909 1.00 0.00 C ATOM 1338 C ALA A 149 -3.530 0.663 -6.974 1.00 0.00 C ATOM 1339 O ALA A 149 -3.142 -0.482 -6.741 1.00 0.00 O ATOM 1340 CB ALA A 149 -4.784 2.068 -5.317 1.00 0.00 C ATOM 0 H ALA A 149 -3.465 3.727 -6.586 1.00 0.00 H new ATOM 0 HA ALA A 149 -2.780 1.369 -5.113 1.00 0.00 H new ATOM 0 HB1 ALA A 149 -5.227 1.159 -4.910 1.00 0.00 H new ATOM 0 HB2 ALA A 149 -4.671 2.804 -4.521 1.00 0.00 H new ATOM 0 HB3 ALA A 149 -5.433 2.471 -6.095 1.00 0.00 H new ATOM 1346 N HIS A 150 -4.040 1.028 -8.154 1.00 0.00 N ATOM 1347 CA HIS A 150 -4.166 0.067 -9.255 1.00 0.00 C ATOM 1348 C HIS A 150 -2.859 -0.684 -9.430 1.00 0.00 C ATOM 1349 O HIS A 150 -2.830 -1.901 -9.611 1.00 0.00 O ATOM 1350 CB HIS A 150 -4.500 0.777 -10.568 1.00 0.00 C ATOM 1351 CG HIS A 150 -5.572 0.098 -11.363 1.00 0.00 C ATOM 1352 ND1 HIS A 150 -6.628 -0.655 -10.968 1.00 0.00 N flip ATOM 1353 CD2 HIS A 150 -5.635 0.148 -12.739 1.00 0.00 C flip ATOM 1354 CE1 HIS A 150 -7.300 -1.039 -12.101 1.00 0.00 C flip ATOM 1355 NE2 HIS A 150 -6.683 -0.542 -13.156 1.00 0.00 N flip ATOM 0 H HIS A 150 -4.369 1.969 -8.371 1.00 0.00 H new ATOM 0 HA HIS A 150 -4.972 -0.624 -9.008 1.00 0.00 H new ATOM 0 HB2 HIS A 150 -4.813 1.798 -10.349 1.00 0.00 H new ATOM 0 HB3 HIS A 150 -3.597 0.844 -11.175 1.00 0.00 H new ATOM 0 HD2 HIS A 150 -4.937 0.670 -13.377 1.00 0.00 H new ATOM 0 HE1 HIS A 150 -8.190 -1.650 -12.125 1.00 0.00 H new ATOM 0 HE2 HIS A 150 -6.966 -0.668 -14.128 1.00 0.00 H new ATOM 1364 N ALA A 151 -1.780 0.077 -9.370 1.00 0.00 N ATOM 1365 CA ALA A 151 -0.435 -0.464 -9.517 1.00 0.00 C ATOM 1366 C ALA A 151 -0.206 -1.639 -8.574 1.00 0.00 C ATOM 1367 O ALA A 151 0.169 -2.729 -9.002 1.00 0.00 O ATOM 1368 CB ALA A 151 0.597 0.625 -9.259 1.00 0.00 C ATOM 0 H ALA A 151 -1.809 1.085 -9.218 1.00 0.00 H new ATOM 0 HA ALA A 151 -0.326 -0.827 -10.539 1.00 0.00 H new ATOM 0 HB1 ALA A 151 1.599 0.211 -9.371 1.00 0.00 H new ATOM 0 HB2 ALA A 151 0.457 1.436 -9.974 1.00 0.00 H new ATOM 0 HB3 ALA A 151 0.475 1.010 -8.246 1.00 0.00 H new ATOM 1374 N LEU A 152 -0.432 -1.406 -7.286 1.00 0.00 N ATOM 1375 CA LEU A 152 -0.250 -2.439 -6.278 1.00 0.00 C ATOM 1376 C LEU A 152 -1.127 -3.643 -6.555 1.00 0.00 C ATOM 1377 O LEU A 152 -0.718 -4.783 -6.354 1.00 0.00 O ATOM 1378 CB LEU A 152 -0.551 -1.858 -4.907 1.00 0.00 C ATOM 1379 CG LEU A 152 0.673 -1.348 -4.156 1.00 0.00 C ATOM 1380 CD1 LEU A 152 1.714 -0.794 -5.124 1.00 0.00 C ATOM 1381 CD2 LEU A 152 0.267 -0.289 -3.143 1.00 0.00 C ATOM 0 H LEU A 152 -0.742 -0.507 -6.916 1.00 0.00 H new ATOM 0 HA LEU A 152 0.785 -2.781 -6.309 1.00 0.00 H new ATOM 0 HB2 LEU A 152 -1.260 -1.038 -5.021 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -1.041 -2.621 -4.302 1.00 0.00 H new ATOM 0 HG LEU A 152 1.122 -2.186 -3.623 1.00 0.00 H new ATOM 0 HD11 LEU A 152 2.578 -0.436 -4.564 1.00 0.00 H new ATOM 0 HD12 LEU A 152 2.027 -1.580 -5.811 1.00 0.00 H new ATOM 0 HD13 LEU A 152 1.282 0.031 -5.690 1.00 0.00 H new ATOM 0 HD21 LEU A 152 1.151 0.066 -2.614 1.00 0.00 H new ATOM 0 HD22 LEU A 152 -0.207 0.546 -3.659 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -0.435 -0.719 -2.429 1.00 0.00 H new ATOM 1393 N LYS A 153 -2.329 -3.389 -7.033 1.00 0.00 N ATOM 1394 CA LYS A 153 -3.254 -4.467 -7.364 1.00 0.00 C ATOM 1395 C LYS A 153 -2.560 -5.491 -8.264 1.00 0.00 C ATOM 1396 O LYS A 153 -2.917 -6.669 -8.279 1.00 0.00 O ATOM 1397 CB LYS A 153 -4.503 -3.916 -8.056 1.00 0.00 C ATOM 1398 CG LYS A 153 -5.217 -2.841 -7.254 1.00 0.00 C ATOM 1399 CD LYS A 153 -6.702 -2.797 -7.582 1.00 0.00 C ATOM 1400 CE LYS A 153 -7.484 -2.034 -6.524 1.00 0.00 C ATOM 1401 NZ LYS A 153 -7.764 -0.634 -6.942 1.00 0.00 N1+ ATOM 0 H LYS A 153 -2.692 -2.451 -7.202 1.00 0.00 H new ATOM 0 HA LYS A 153 -3.563 -4.955 -6.440 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -4.220 -3.507 -9.026 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -5.195 -4.736 -8.246 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -5.084 -3.031 -6.189 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -4.768 -1.870 -7.463 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -6.847 -2.325 -8.554 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -7.089 -3.813 -7.660 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -8.424 -2.549 -6.326 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -6.921 -2.028 -5.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -8.298 -0.149 -6.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -6.867 -0.135 -7.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -8.323 -0.639 -7.819 1.00 0.00 H new ATOM 1415 N TYR A 154 -1.549 -5.025 -9.001 1.00 0.00 N ATOM 1416 CA TYR A 154 -0.776 -5.885 -9.893 1.00 0.00 C ATOM 1417 C TYR A 154 0.559 -6.266 -9.253 1.00 0.00 C ATOM 1418 O TYR A 154 1.490 -6.688 -9.937 1.00 0.00 O ATOM 1419 CB TYR A 154 -0.518 -5.176 -11.223 1.00 0.00 C ATOM 1420 CG TYR A 154 -1.773 -4.656 -11.888 1.00 0.00 C ATOM 1421 CD1 TYR A 154 -2.627 -5.512 -12.572 1.00 0.00 C ATOM 1422 CD2 TYR A 154 -2.100 -3.307 -11.834 1.00 0.00 C ATOM 1423 CE1 TYR A 154 -3.773 -5.039 -13.182 1.00 0.00 C ATOM 1424 CE2 TYR A 154 -3.245 -2.826 -12.441 1.00 0.00 C ATOM 1425 CZ TYR A 154 -4.077 -3.695 -13.114 1.00 0.00 C ATOM 1426 OH TYR A 154 -5.218 -3.221 -13.720 1.00 0.00 O ATOM 0 H TYR A 154 -1.247 -4.051 -8.995 1.00 0.00 H new ATOM 0 HA TYR A 154 -1.354 -6.791 -10.073 1.00 0.00 H new ATOM 0 HB2 TYR A 154 0.165 -4.343 -11.054 1.00 0.00 H new ATOM 0 HB3 TYR A 154 -0.017 -5.867 -11.902 1.00 0.00 H new ATOM 0 HD1 TYR A 154 -2.391 -6.564 -12.628 1.00 0.00 H new ATOM 0 HD2 TYR A 154 -1.449 -2.623 -11.309 1.00 0.00 H new ATOM 0 HE1 TYR A 154 -4.427 -5.718 -13.709 1.00 0.00 H new ATOM 0 HE2 TYR A 154 -3.487 -1.775 -12.388 1.00 0.00 H new ATOM 0 HH TYR A 154 -5.425 -2.328 -13.374 1.00 0.00 H new ATOM 1436 N SER A 155 0.640 -6.113 -7.934 1.00 0.00 N ATOM 1437 CA SER A 155 1.845 -6.435 -7.189 1.00 0.00 C ATOM 1438 C SER A 155 1.605 -7.662 -6.331 1.00 0.00 C ATOM 1439 O SER A 155 1.026 -7.575 -5.248 1.00 0.00 O ATOM 1440 CB SER A 155 2.257 -5.258 -6.308 1.00 0.00 C ATOM 1441 OG SER A 155 2.828 -4.219 -7.083 1.00 0.00 O ATOM 0 H SER A 155 -0.126 -5.764 -7.358 1.00 0.00 H new ATOM 0 HA SER A 155 2.650 -6.640 -7.895 1.00 0.00 H new ATOM 0 HB2 SER A 155 1.387 -4.880 -5.770 1.00 0.00 H new ATOM 0 HB3 SER A 155 2.974 -5.594 -5.559 1.00 0.00 H new ATOM 0 HG SER A 155 2.174 -3.906 -7.742 1.00 0.00 H new ATOM 1447 N VAL A 156 2.037 -8.806 -6.828 1.00 0.00 N ATOM 1448 CA VAL A 156 1.854 -10.055 -6.119 1.00 0.00 C ATOM 1449 C VAL A 156 3.093 -10.433 -5.310 1.00 0.00 C ATOM 1450 O VAL A 156 3.147 -11.506 -4.708 1.00 0.00 O ATOM 1451 CB VAL A 156 1.490 -11.179 -7.100 1.00 0.00 C ATOM 1452 CG1 VAL A 156 2.678 -11.537 -7.983 1.00 0.00 C ATOM 1453 CG2 VAL A 156 0.977 -12.401 -6.354 1.00 0.00 C ATOM 0 H VAL A 156 2.518 -8.894 -7.723 1.00 0.00 H new ATOM 0 HA VAL A 156 1.032 -9.918 -5.416 1.00 0.00 H new ATOM 0 HB VAL A 156 0.690 -10.818 -7.747 1.00 0.00 H new ATOM 0 HG11 VAL A 156 2.394 -12.335 -8.669 1.00 0.00 H new ATOM 0 HG12 VAL A 156 2.984 -10.660 -8.554 1.00 0.00 H new ATOM 0 HG13 VAL A 156 3.507 -11.872 -7.359 1.00 0.00 H new ATOM 0 HG21 VAL A 156 0.725 -13.184 -7.069 1.00 0.00 H new ATOM 0 HG22 VAL A 156 1.749 -12.763 -5.675 1.00 0.00 H new ATOM 0 HG23 VAL A 156 0.089 -12.132 -5.783 1.00 0.00 H new ATOM 1463 N VAL A 157 4.079 -9.538 -5.280 1.00 0.00 N ATOM 1464 CA VAL A 157 5.298 -9.780 -4.523 1.00 0.00 C ATOM 1465 C VAL A 157 4.986 -9.793 -3.033 1.00 0.00 C ATOM 1466 O VAL A 157 5.536 -10.592 -2.274 1.00 0.00 O ATOM 1467 CB VAL A 157 6.367 -8.708 -4.809 1.00 0.00 C ATOM 1468 CG1 VAL A 157 7.667 -9.043 -4.092 1.00 0.00 C ATOM 1469 CG2 VAL A 157 6.595 -8.570 -6.307 1.00 0.00 C ATOM 0 H VAL A 157 4.055 -8.644 -5.770 1.00 0.00 H new ATOM 0 HA VAL A 157 5.693 -10.748 -4.832 1.00 0.00 H new ATOM 0 HB VAL A 157 6.008 -7.752 -4.429 1.00 0.00 H new ATOM 0 HG11 VAL A 157 8.409 -8.274 -4.306 1.00 0.00 H new ATOM 0 HG12 VAL A 157 7.489 -9.086 -3.017 1.00 0.00 H new ATOM 0 HG13 VAL A 157 8.035 -10.009 -4.438 1.00 0.00 H new ATOM 0 HG21 VAL A 157 7.353 -7.809 -6.491 1.00 0.00 H new ATOM 0 HG22 VAL A 157 6.932 -9.524 -6.713 1.00 0.00 H new ATOM 0 HG23 VAL A 157 5.663 -8.279 -6.792 1.00 0.00 H new ATOM 1479 N LEU A 158 4.079 -8.909 -2.630 1.00 0.00 N ATOM 1480 CA LEU A 158 3.656 -8.812 -1.242 1.00 0.00 C ATOM 1481 C LEU A 158 2.224 -9.316 -1.121 1.00 0.00 C ATOM 1482 O LEU A 158 1.571 -9.584 -2.130 1.00 0.00 O ATOM 1483 CB LEU A 158 3.734 -7.360 -0.753 1.00 0.00 C ATOM 1484 CG LEU A 158 5.137 -6.740 -0.697 1.00 0.00 C ATOM 1485 CD1 LEU A 158 5.936 -7.314 0.464 1.00 0.00 C ATOM 1486 CD2 LEU A 158 5.874 -6.948 -2.011 1.00 0.00 C ATOM 0 H LEU A 158 3.620 -8.245 -3.254 1.00 0.00 H new ATOM 0 HA LEU A 158 4.319 -9.420 -0.626 1.00 0.00 H new ATOM 0 HB2 LEU A 158 3.113 -6.745 -1.404 1.00 0.00 H new ATOM 0 HB3 LEU A 158 3.297 -7.310 0.244 1.00 0.00 H new ATOM 0 HG LEU A 158 5.025 -5.668 -0.536 1.00 0.00 H new ATOM 0 HD11 LEU A 158 6.927 -6.860 0.484 1.00 0.00 H new ATOM 0 HD12 LEU A 158 5.421 -7.101 1.401 1.00 0.00 H new ATOM 0 HD13 LEU A 158 6.034 -8.393 0.340 1.00 0.00 H new ATOM 0 HD21 LEU A 158 6.866 -6.500 -1.947 1.00 0.00 H new ATOM 0 HD22 LEU A 158 5.970 -8.016 -2.209 1.00 0.00 H new ATOM 0 HD23 LEU A 158 5.315 -6.478 -2.820 1.00 0.00 H new ATOM 1498 N GLU A 159 1.726 -9.430 0.101 1.00 0.00 N ATOM 1499 CA GLU A 159 0.361 -9.885 0.308 1.00 0.00 C ATOM 1500 C GLU A 159 -0.555 -8.683 0.507 1.00 0.00 C ATOM 1501 O GLU A 159 -0.475 -7.992 1.513 1.00 0.00 O ATOM 1502 CB GLU A 159 0.289 -10.838 1.508 1.00 0.00 C ATOM 1503 CG GLU A 159 -1.093 -10.946 2.136 1.00 0.00 C ATOM 1504 CD GLU A 159 -2.137 -11.458 1.164 1.00 0.00 C ATOM 1505 OE1 GLU A 159 -2.433 -10.748 0.181 1.00 0.00 O ATOM 1506 OE2 GLU A 159 -2.659 -12.571 1.386 1.00 0.00 O1- ATOM 0 H GLU A 159 2.241 -9.216 0.955 1.00 0.00 H new ATOM 0 HA GLU A 159 0.028 -10.434 -0.573 1.00 0.00 H new ATOM 0 HB2 GLU A 159 0.610 -11.830 1.190 1.00 0.00 H new ATOM 0 HB3 GLU A 159 0.996 -10.503 2.267 1.00 0.00 H new ATOM 0 HG2 GLU A 159 -1.046 -11.613 2.997 1.00 0.00 H new ATOM 0 HG3 GLU A 159 -1.397 -9.967 2.507 1.00 0.00 H new ATOM 1513 N LEU A 160 -1.413 -8.436 -0.471 1.00 0.00 N ATOM 1514 CA LEU A 160 -2.341 -7.312 -0.429 1.00 0.00 C ATOM 1515 C LEU A 160 -3.711 -7.771 0.052 1.00 0.00 C ATOM 1516 O LEU A 160 -4.088 -8.920 -0.185 1.00 0.00 O ATOM 1517 CB LEU A 160 -2.496 -6.746 -1.843 1.00 0.00 C ATOM 1518 CG LEU A 160 -1.459 -5.724 -2.300 1.00 0.00 C ATOM 1519 CD1 LEU A 160 -2.082 -4.339 -2.436 1.00 0.00 C ATOM 1520 CD2 LEU A 160 -0.262 -5.717 -1.364 1.00 0.00 C ATOM 0 H LEU A 160 -1.487 -9.006 -1.314 1.00 0.00 H new ATOM 0 HA LEU A 160 -1.950 -6.558 0.254 1.00 0.00 H new ATOM 0 HB2 LEU A 160 -2.481 -7.580 -2.545 1.00 0.00 H new ATOM 0 HB3 LEU A 160 -3.481 -6.285 -1.917 1.00 0.00 H new ATOM 0 HG LEU A 160 -1.100 -6.015 -3.287 1.00 0.00 H new ATOM 0 HD11 LEU A 160 -1.322 -3.629 -2.763 1.00 0.00 H new ATOM 0 HD12 LEU A 160 -2.887 -4.373 -3.170 1.00 0.00 H new ATOM 0 HD13 LEU A 160 -2.483 -4.024 -1.472 1.00 0.00 H new ATOM 0 HD21 LEU A 160 0.465 -4.981 -1.708 1.00 0.00 H new ATOM 0 HD22 LEU A 160 -0.589 -5.460 -0.357 1.00 0.00 H new ATOM 0 HD23 LEU A 160 0.198 -6.705 -1.355 1.00 0.00 H new ATOM 1532 N ASN A 161 -4.497 -6.878 0.666 1.00 0.00 N ATOM 1533 CA ASN A 161 -5.845 -7.288 1.065 1.00 0.00 C ATOM 1534 C ASN A 161 -6.582 -7.557 -0.215 1.00 0.00 C ATOM 1535 O ASN A 161 -6.194 -6.973 -1.222 1.00 0.00 O ATOM 1536 CB ASN A 161 -6.587 -6.220 1.877 1.00 0.00 C ATOM 1537 CG ASN A 161 -8.081 -6.476 1.954 1.00 0.00 C ATOM 1538 OD1 ASN A 161 -8.871 -5.821 1.275 1.00 0.00 O ATOM 1539 ND2 ASN A 161 -8.477 -7.434 2.785 1.00 0.00 N ATOM 0 H ASN A 161 -4.240 -5.916 0.888 1.00 0.00 H new ATOM 0 HA ASN A 161 -5.786 -8.160 1.716 1.00 0.00 H new ATOM 0 HB2 ASN A 161 -6.176 -6.186 2.886 1.00 0.00 H new ATOM 0 HB3 ASN A 161 -6.413 -5.242 1.428 1.00 0.00 H new ATOM 0 HD21 ASN A 161 -9.469 -7.650 2.878 1.00 0.00 H new ATOM 0 HD22 ASN A 161 -7.789 -7.953 3.330 1.00 0.00 H new ATOM 1546 N GLU A 162 -7.610 -8.422 -0.126 1.00 0.00 N ATOM 1547 CA GLU A 162 -8.439 -8.906 -1.252 1.00 0.00 C ATOM 1548 C GLU A 162 -8.724 -7.899 -2.356 1.00 0.00 C ATOM 1549 O GLU A 162 -8.480 -8.198 -3.526 1.00 0.00 O ATOM 1550 CB GLU A 162 -9.764 -9.438 -0.708 1.00 0.00 C ATOM 1551 CG GLU A 162 -10.639 -8.367 -0.074 1.00 0.00 C ATOM 1552 CD GLU A 162 -11.791 -8.950 0.719 1.00 0.00 C ATOM 1553 OE1 GLU A 162 -12.401 -9.932 0.247 1.00 0.00 O ATOM 1554 OE2 GLU A 162 -12.083 -8.425 1.814 1.00 0.00 O1- ATOM 0 H GLU A 162 -7.899 -8.820 0.767 1.00 0.00 H new ATOM 0 HA GLU A 162 -7.840 -9.683 -1.726 1.00 0.00 H new ATOM 0 HB2 GLU A 162 -10.316 -9.912 -1.520 1.00 0.00 H new ATOM 0 HB3 GLU A 162 -9.558 -10.212 0.032 1.00 0.00 H new ATOM 0 HG2 GLU A 162 -10.029 -7.746 0.582 1.00 0.00 H new ATOM 0 HG3 GLU A 162 -11.033 -7.716 -0.854 1.00 0.00 H new ATOM 1561 N ASP A 163 -9.205 -6.720 -2.027 1.00 0.00 N ATOM 1562 CA ASP A 163 -9.460 -5.726 -3.060 1.00 0.00 C ATOM 1563 C ASP A 163 -8.162 -4.999 -3.322 1.00 0.00 C ATOM 1564 O ASP A 163 -8.139 -3.829 -3.704 1.00 0.00 O ATOM 1565 CB ASP A 163 -10.549 -4.748 -2.619 1.00 0.00 C ATOM 1566 CG ASP A 163 -11.931 -5.185 -3.063 1.00 0.00 C ATOM 1567 OD1 ASP A 163 -12.090 -5.542 -4.249 1.00 0.00 O1- ATOM 1568 OD2 ASP A 163 -12.857 -5.168 -2.224 1.00 0.00 O ATOM 0 H ASP A 163 -9.425 -6.425 -1.076 1.00 0.00 H new ATOM 0 HA ASP A 163 -9.815 -6.210 -3.970 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -10.532 -4.654 -1.533 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -10.334 -3.761 -3.028 1.00 0.00 H new ATOM 1573 N HIS A 164 -7.073 -5.712 -3.036 1.00 0.00 N ATOM 1574 CA HIS A 164 -5.739 -5.189 -3.141 1.00 0.00 C ATOM 1575 C HIS A 164 -5.692 -3.814 -2.530 1.00 0.00 C ATOM 1576 O HIS A 164 -4.906 -2.950 -2.916 1.00 0.00 O ATOM 1577 CB HIS A 164 -5.229 -5.238 -4.570 1.00 0.00 C ATOM 1578 CG HIS A 164 -5.117 -6.653 -5.042 1.00 0.00 C ATOM 1579 ND1 HIS A 164 -4.882 -7.008 -6.353 1.00 0.00 N ATOM 1580 CD2 HIS A 164 -5.213 -7.814 -4.345 1.00 0.00 C ATOM 1581 CE1 HIS A 164 -4.839 -8.326 -6.446 1.00 0.00 C ATOM 1582 NE2 HIS A 164 -5.036 -8.839 -5.243 1.00 0.00 N ATOM 0 H HIS A 164 -7.109 -6.682 -2.722 1.00 0.00 H new ATOM 0 HA HIS A 164 -5.053 -5.821 -2.576 1.00 0.00 H new ATOM 0 HB2 HIS A 164 -5.905 -4.684 -5.222 1.00 0.00 H new ATOM 0 HB3 HIS A 164 -4.256 -4.751 -4.631 1.00 0.00 H new ATOM 0 HD2 HIS A 164 -5.394 -7.913 -3.285 1.00 0.00 H new ATOM 0 HE1 HIS A 164 -4.671 -8.889 -7.352 1.00 0.00 H new ATOM 0 HE2 HIS A 164 -5.054 -9.834 -5.018 1.00 0.00 H new ATOM 1591 N ARG A 165 -6.548 -3.655 -1.527 1.00 0.00 N ATOM 1592 CA ARG A 165 -6.639 -2.438 -0.786 1.00 0.00 C ATOM 1593 C ARG A 165 -5.628 -2.462 0.325 1.00 0.00 C ATOM 1594 O ARG A 165 -5.312 -1.415 0.891 1.00 0.00 O ATOM 1595 CB ARG A 165 -8.037 -2.252 -0.201 1.00 0.00 C ATOM 1596 CG ARG A 165 -9.111 -2.003 -1.241 1.00 0.00 C ATOM 1597 CD ARG A 165 -10.498 -2.153 -0.641 1.00 0.00 C ATOM 1598 NE ARG A 165 -11.180 -0.868 -0.503 1.00 0.00 N ATOM 1599 CZ ARG A 165 -11.017 -0.045 0.530 1.00 0.00 C ATOM 1600 NH1 ARG A 165 -10.198 -0.367 1.524 1.00 0.00 N1+ ATOM 1601 NH2 ARG A 165 -11.676 1.104 0.571 1.00 0.00 N ATOM 0 H ARG A 165 -7.194 -4.380 -1.217 1.00 0.00 H new ATOM 0 HA ARG A 165 -6.439 -1.605 -1.460 1.00 0.00 H new ATOM 0 HB2 ARG A 165 -8.301 -3.140 0.374 1.00 0.00 H new ATOM 0 HB3 ARG A 165 -8.020 -1.415 0.497 1.00 0.00 H new ATOM 0 HG2 ARG A 165 -8.996 -1.001 -1.654 1.00 0.00 H new ATOM 0 HG3 ARG A 165 -8.991 -2.704 -2.067 1.00 0.00 H new ATOM 0 HD2 ARG A 165 -11.095 -2.814 -1.270 1.00 0.00 H new ATOM 0 HD3 ARG A 165 -10.420 -2.628 0.337 1.00 0.00 H new ATOM 0 HE ARG A 165 -11.821 -0.584 -1.244 1.00 0.00 H new ATOM 0 HH11 ARG A 165 -9.689 -1.250 1.499 1.00 0.00 H new ATOM 0 HH12 ARG A 165 -10.078 0.269 2.312 1.00 0.00 H new ATOM 0 HH21 ARG A 165 -12.308 1.357 -0.189 1.00 0.00 H new ATOM 0 HH22 ARG A 165 -11.552 1.735 1.362 1.00 0.00 H new ATOM 1615 N LYS A 166 -5.099 -3.650 0.660 1.00 0.00 N ATOM 1616 CA LYS A 166 -4.108 -3.664 1.746 1.00 0.00 C ATOM 1617 C LYS A 166 -2.801 -4.296 1.330 1.00 0.00 C ATOM 1618 O LYS A 166 -2.626 -4.702 0.185 1.00 0.00 O ATOM 1619 CB LYS A 166 -4.643 -4.347 3.005 1.00 0.00 C ATOM 1620 CG LYS A 166 -6.010 -3.838 3.441 1.00 0.00 C ATOM 1621 CD LYS A 166 -5.891 -2.761 4.511 1.00 0.00 C ATOM 1622 CE LYS A 166 -6.614 -3.159 5.787 1.00 0.00 C ATOM 1623 NZ LYS A 166 -5.901 -2.677 7.002 1.00 0.00 N1+ ATOM 0 H LYS A 166 -5.318 -4.550 0.232 1.00 0.00 H new ATOM 0 HA LYS A 166 -3.914 -2.617 1.979 1.00 0.00 H new ATOM 0 HB2 LYS A 166 -4.704 -5.421 2.828 1.00 0.00 H new ATOM 0 HB3 LYS A 166 -3.933 -4.198 3.818 1.00 0.00 H new ATOM 0 HG2 LYS A 166 -6.542 -3.437 2.578 1.00 0.00 H new ATOM 0 HG3 LYS A 166 -6.603 -4.668 3.824 1.00 0.00 H new ATOM 0 HD2 LYS A 166 -4.839 -2.579 4.730 1.00 0.00 H new ATOM 0 HD3 LYS A 166 -6.305 -1.826 4.134 1.00 0.00 H new ATOM 0 HE2 LYS A 166 -7.625 -2.752 5.774 1.00 0.00 H new ATOM 0 HE3 LYS A 166 -6.708 -4.244 5.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 -6.435 -2.954 7.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 -4.951 -3.099 7.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 -5.819 -1.641 6.968 1.00 0.00 H new ATOM 1637 N VAL A 167 -1.882 -4.364 2.280 1.00 0.00 N ATOM 1638 CA VAL A 167 -0.576 -4.939 2.045 1.00 0.00 C ATOM 1639 C VAL A 167 0.002 -5.482 3.339 1.00 0.00 C ATOM 1640 O VAL A 167 0.708 -4.794 4.074 1.00 0.00 O ATOM 1641 CB VAL A 167 0.375 -3.918 1.392 1.00 0.00 C ATOM 1642 CG1 VAL A 167 0.303 -2.571 2.102 1.00 0.00 C ATOM 1643 CG2 VAL A 167 1.809 -4.432 1.353 1.00 0.00 C ATOM 0 H VAL A 167 -2.024 -4.022 3.231 1.00 0.00 H new ATOM 0 HA VAL A 167 -0.688 -5.769 1.347 1.00 0.00 H new ATOM 0 HB VAL A 167 0.045 -3.779 0.362 1.00 0.00 H new ATOM 0 HG11 VAL A 167 0.984 -1.869 1.621 1.00 0.00 H new ATOM 0 HG12 VAL A 167 -0.715 -2.185 2.047 1.00 0.00 H new ATOM 0 HG13 VAL A 167 0.588 -2.695 3.147 1.00 0.00 H new ATOM 0 HG21 VAL A 167 2.451 -3.685 0.886 1.00 0.00 H new ATOM 0 HG22 VAL A 167 2.155 -4.623 2.369 1.00 0.00 H new ATOM 0 HG23 VAL A 167 1.849 -5.356 0.776 1.00 0.00 H new ATOM 1653 N ARG A 168 -0.320 -6.735 3.598 1.00 0.00 N ATOM 1654 CA ARG A 168 0.144 -7.422 4.799 1.00 0.00 C ATOM 1655 C ARG A 168 1.278 -8.387 4.466 1.00 0.00 C ATOM 1656 O ARG A 168 1.497 -8.724 3.305 1.00 0.00 O ATOM 1657 CB ARG A 168 -1.010 -8.186 5.451 1.00 0.00 C ATOM 1658 CG ARG A 168 -0.808 -8.444 6.938 1.00 0.00 C ATOM 1659 CD ARG A 168 -0.558 -9.916 7.228 1.00 0.00 C ATOM 1660 NE ARG A 168 -1.559 -10.474 8.134 1.00 0.00 N ATOM 1661 CZ ARG A 168 -1.524 -10.331 9.457 1.00 0.00 C ATOM 1662 NH1 ARG A 168 -0.543 -9.647 10.033 1.00 0.00 N1+ ATOM 1663 NH2 ARG A 168 -2.475 -10.873 10.206 1.00 0.00 N ATOM 0 H ARG A 168 -0.906 -7.306 2.990 1.00 0.00 H new ATOM 0 HA ARG A 168 0.517 -6.672 5.497 1.00 0.00 H new ATOM 0 HB2 ARG A 168 -1.933 -7.623 5.311 1.00 0.00 H new ATOM 0 HB3 ARG A 168 -1.138 -9.140 4.939 1.00 0.00 H new ATOM 0 HG2 ARG A 168 0.035 -7.855 7.298 1.00 0.00 H new ATOM 0 HG3 ARG A 168 -1.688 -8.110 7.488 1.00 0.00 H new ATOM 0 HD2 ARG A 168 -0.564 -10.476 6.293 1.00 0.00 H new ATOM 0 HD3 ARG A 168 0.433 -10.036 7.665 1.00 0.00 H new ATOM 0 HE ARG A 168 -2.330 -11.005 7.729 1.00 0.00 H new ATOM 0 HH11 ARG A 168 0.190 -9.227 9.461 1.00 0.00 H new ATOM 0 HH12 ARG A 168 -0.522 -9.541 11.047 1.00 0.00 H new ATOM 0 HH21 ARG A 168 -3.232 -11.398 9.768 1.00 0.00 H new ATOM 0 HH22 ARG A 168 -2.450 -10.764 11.220 1.00 0.00 H new ATOM 1677 N ARG A 169 1.995 -8.830 5.494 1.00 0.00 N ATOM 1678 CA ARG A 169 3.102 -9.763 5.309 1.00 0.00 C ATOM 1679 C ARG A 169 2.724 -11.155 5.801 1.00 0.00 C ATOM 1680 O ARG A 169 2.004 -11.301 6.789 1.00 0.00 O ATOM 1681 CB ARG A 169 4.356 -9.273 6.041 1.00 0.00 C ATOM 1682 CG ARG A 169 4.065 -8.557 7.351 1.00 0.00 C ATOM 1683 CD ARG A 169 3.320 -9.455 8.327 1.00 0.00 C ATOM 1684 NE ARG A 169 3.526 -9.045 9.714 1.00 0.00 N ATOM 1685 CZ ARG A 169 3.103 -9.745 10.764 1.00 0.00 C ATOM 1686 NH1 ARG A 169 2.454 -10.890 10.590 1.00 0.00 N1+ ATOM 1687 NH2 ARG A 169 3.329 -9.299 11.992 1.00 0.00 N ATOM 0 H ARG A 169 1.830 -8.558 6.463 1.00 0.00 H new ATOM 0 HA ARG A 169 3.319 -9.815 4.242 1.00 0.00 H new ATOM 0 HB2 ARG A 169 5.005 -10.126 6.241 1.00 0.00 H new ATOM 0 HB3 ARG A 169 4.908 -8.600 5.385 1.00 0.00 H new ATOM 0 HG2 ARG A 169 5.001 -8.227 7.801 1.00 0.00 H new ATOM 0 HG3 ARG A 169 3.473 -7.663 7.154 1.00 0.00 H new ATOM 0 HD2 ARG A 169 2.255 -9.435 8.097 1.00 0.00 H new ATOM 0 HD3 ARG A 169 3.654 -10.485 8.200 1.00 0.00 H new ATOM 0 HE ARG A 169 4.023 -8.171 9.888 1.00 0.00 H new ATOM 0 HH11 ARG A 169 2.277 -11.238 9.648 1.00 0.00 H new ATOM 0 HH12 ARG A 169 2.132 -11.422 11.399 1.00 0.00 H new ATOM 0 HH21 ARG A 169 3.827 -8.420 12.132 1.00 0.00 H new ATOM 0 HH22 ARG A 169 3.005 -9.835 12.797 1.00 0.00 H new ATOM 1701 N THR A 170 3.210 -12.178 5.107 1.00 0.00 N ATOM 1702 CA THR A 170 2.918 -13.558 5.473 1.00 0.00 C ATOM 1703 C THR A 170 4.151 -14.253 6.048 1.00 0.00 C ATOM 1704 O THR A 170 4.041 -15.305 6.677 1.00 0.00 O ATOM 1705 CB THR A 170 2.409 -14.328 4.256 1.00 0.00 C ATOM 1706 OG1 THR A 170 3.436 -14.479 3.292 1.00 0.00 O ATOM 1707 CG2 THR A 170 1.235 -13.659 3.573 1.00 0.00 C ATOM 0 H THR A 170 3.808 -12.077 4.287 1.00 0.00 H new ATOM 0 HA THR A 170 2.146 -13.544 6.242 1.00 0.00 H new ATOM 0 HB THR A 170 2.083 -15.294 4.641 1.00 0.00 H new ATOM 0 HG1 THR A 170 3.091 -14.976 2.521 1.00 0.00 H new ATOM 0 HG21 THR A 170 0.923 -14.257 2.717 1.00 0.00 H new ATOM 0 HG22 THR A 170 0.407 -13.571 4.276 1.00 0.00 H new ATOM 0 HG23 THR A 170 1.529 -12.666 3.234 1.00 0.00 H new ATOM 1715 N THR A 171 5.324 -13.665 5.826 1.00 0.00 N ATOM 1716 CA THR A 171 6.569 -14.240 6.320 1.00 0.00 C ATOM 1717 C THR A 171 7.543 -13.148 6.761 1.00 0.00 C ATOM 1718 O THR A 171 8.563 -12.917 6.111 1.00 0.00 O ATOM 1719 CB THR A 171 7.214 -15.101 5.234 1.00 0.00 C ATOM 1720 OG1 THR A 171 8.512 -15.512 5.622 1.00 0.00 O ATOM 1721 CG2 THR A 171 7.334 -14.386 3.906 1.00 0.00 C ATOM 0 H THR A 171 5.437 -12.793 5.309 1.00 0.00 H new ATOM 0 HA THR A 171 6.336 -14.861 7.185 1.00 0.00 H new ATOM 0 HB THR A 171 6.553 -15.959 5.111 1.00 0.00 H new ATOM 0 HG1 THR A 171 9.086 -14.725 5.728 1.00 0.00 H new ATOM 0 HG21 THR A 171 7.799 -15.049 3.177 1.00 0.00 H new ATOM 0 HG22 THR A 171 6.342 -14.100 3.556 1.00 0.00 H new ATOM 0 HG23 THR A 171 7.947 -13.493 4.028 1.00 0.00 H new ATOM 1729 N PRO A 172 7.242 -12.460 7.875 1.00 0.00 N ATOM 1730 CA PRO A 172 8.101 -11.391 8.394 1.00 0.00 C ATOM 1731 C PRO A 172 9.522 -11.867 8.662 1.00 0.00 C ATOM 1732 O PRO A 172 9.741 -13.005 9.079 1.00 0.00 O ATOM 1733 CB PRO A 172 7.426 -10.983 9.705 1.00 0.00 C ATOM 1734 CG PRO A 172 6.011 -11.429 9.566 1.00 0.00 C ATOM 1735 CD PRO A 172 6.049 -12.667 8.714 1.00 0.00 C ATOM 0 HA PRO A 172 8.200 -10.574 7.679 1.00 0.00 H new ATOM 0 HB2 PRO A 172 7.907 -11.457 10.561 1.00 0.00 H new ATOM 0 HB3 PRO A 172 7.487 -9.906 9.862 1.00 0.00 H new ATOM 0 HG2 PRO A 172 5.571 -11.639 10.541 1.00 0.00 H new ATOM 0 HG3 PRO A 172 5.401 -10.654 9.101 1.00 0.00 H new ATOM 0 HD2 PRO A 172 6.133 -13.570 9.319 1.00 0.00 H new ATOM 0 HD3 PRO A 172 5.146 -12.770 8.112 1.00 0.00 H new