USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=17 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= -0.555 F(o=-2,f=-0.55) USER MOD Set 1.2: A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 :FLIP amide:sc= -0.442 F(o=-1.2,f=-0.44) USER MOD Single : A 103 TYR OH : rot 29:sc= -4.54! USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -2.48 K(o=-2.5,f=-4.1!) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 TYR OH : rot 180:sc= 0.0911 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 THR OG1 : rot 50:sc= 1.08 USER MOD Single : A 134 SER OG : rot -62:sc= 1.09 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 X(o=0,f=0) USER MOD Single : A 142 THR OG1 : rot 160:sc= -0.505 USER MOD Single : A 147 THR OG1 : rot 180:sc= 0 USER MOD Single : A 148 THR OG1 : rot 82:sc= -0.932! USER MOD Single : A 154 TYR OH : rot 180:sc= 0 USER MOD Single : A 155 SER OG : rot -155:sc= -3.48! USER MOD Single : A 161 ASN :FLIP amide:sc= -1.24 F(o=-2.5,f=-1.2) USER MOD Single : A 164 HIS : no HD1:sc= -0.72 K(o=-0.72,f=-3.4) USER MOD Single : A 166 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0217) USER MOD Single : A 170 THR OG1 : rot 180:sc= 0 USER MOD Single : A 171 THR OG1 : rot -61:sc= 0.278 USER MOD ----------------------------------------------------------------- ATOM 257 N PRO A 87 -5.651 2.168 -16.374 1.00 0.00 N ATOM 258 CA PRO A 87 -4.505 1.668 -15.613 1.00 0.00 C ATOM 259 C PRO A 87 -3.183 2.256 -16.100 1.00 0.00 C ATOM 260 O PRO A 87 -2.928 2.311 -17.303 1.00 0.00 O ATOM 261 CB PRO A 87 -4.545 0.163 -15.870 1.00 0.00 C ATOM 262 CG PRO A 87 -5.178 0.031 -17.212 1.00 0.00 C ATOM 263 CD PRO A 87 -6.176 1.154 -17.312 1.00 0.00 C ATOM 0 HA PRO A 87 -4.564 1.939 -14.559 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -3.544 -0.268 -15.859 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -5.124 -0.355 -15.105 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -4.432 0.100 -18.004 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -5.668 -0.937 -17.319 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -6.242 1.543 -18.328 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -7.177 0.827 -17.031 1.00 0.00 H new ATOM 271 N PRO A 88 -2.314 2.693 -15.172 1.00 0.00 N ATOM 272 CA PRO A 88 -1.008 3.266 -15.523 1.00 0.00 C ATOM 273 C PRO A 88 -0.120 2.256 -16.242 1.00 0.00 C ATOM 274 O PRO A 88 -0.599 1.225 -16.717 1.00 0.00 O ATOM 275 CB PRO A 88 -0.401 3.636 -14.164 1.00 0.00 C ATOM 276 CG PRO A 88 -1.117 2.771 -13.186 1.00 0.00 C ATOM 277 CD PRO A 88 -2.518 2.657 -13.711 1.00 0.00 C ATOM 0 HA PRO A 88 -1.101 4.112 -16.204 1.00 0.00 H new ATOM 0 HB2 PRO A 88 0.673 3.451 -14.146 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -0.546 4.693 -13.939 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -0.645 1.792 -13.108 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -1.105 3.211 -12.189 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -2.998 1.732 -13.391 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -3.148 3.478 -13.369 1.00 0.00 H new ATOM 285 N ASP A 89 1.174 2.547 -16.306 1.00 0.00 N ATOM 286 CA ASP A 89 2.122 1.667 -16.942 1.00 0.00 C ATOM 287 C ASP A 89 2.987 1.000 -15.886 1.00 0.00 C ATOM 288 O ASP A 89 3.291 1.596 -14.852 1.00 0.00 O ATOM 289 CB ASP A 89 3.001 2.435 -17.936 1.00 0.00 C ATOM 290 CG ASP A 89 3.232 3.879 -17.532 1.00 0.00 C ATOM 291 OD1 ASP A 89 3.202 4.168 -16.317 1.00 0.00 O1- ATOM 292 OD2 ASP A 89 3.444 4.721 -18.430 1.00 0.00 O ATOM 0 H ASP A 89 1.585 3.396 -15.918 1.00 0.00 H new ATOM 0 HA ASP A 89 1.573 0.905 -17.495 1.00 0.00 H new ATOM 0 HB2 ASP A 89 3.963 1.931 -18.026 1.00 0.00 H new ATOM 0 HB3 ASP A 89 2.534 2.409 -18.920 1.00 0.00 H new ATOM 297 N GLU A 90 3.379 -0.236 -16.146 1.00 0.00 N ATOM 298 CA GLU A 90 4.204 -0.988 -15.219 1.00 0.00 C ATOM 299 C GLU A 90 5.402 -0.169 -14.746 1.00 0.00 C ATOM 300 O GLU A 90 5.953 -0.423 -13.675 1.00 0.00 O ATOM 301 CB GLU A 90 4.685 -2.275 -15.874 1.00 0.00 C ATOM 302 CG GLU A 90 5.069 -2.118 -17.338 1.00 0.00 C ATOM 303 CD GLU A 90 6.373 -2.813 -17.678 1.00 0.00 C ATOM 304 OE1 GLU A 90 6.497 -4.019 -17.380 1.00 0.00 O1- ATOM 305 OE2 GLU A 90 7.269 -2.151 -18.242 1.00 0.00 O ATOM 0 H GLU A 90 3.136 -0.742 -16.998 1.00 0.00 H new ATOM 0 HA GLU A 90 3.594 -1.228 -14.348 1.00 0.00 H new ATOM 0 HB2 GLU A 90 5.546 -2.652 -15.322 1.00 0.00 H new ATOM 0 HB3 GLU A 90 3.900 -3.027 -15.793 1.00 0.00 H new ATOM 0 HG2 GLU A 90 4.273 -2.522 -17.964 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.154 -1.058 -17.575 1.00 0.00 H new ATOM 312 N GLU A 91 5.798 0.819 -15.545 1.00 0.00 N ATOM 313 CA GLU A 91 6.926 1.675 -15.194 1.00 0.00 C ATOM 314 C GLU A 91 6.724 2.271 -13.808 1.00 0.00 C ATOM 315 O GLU A 91 7.591 2.174 -12.938 1.00 0.00 O ATOM 316 CB GLU A 91 7.081 2.796 -16.221 1.00 0.00 C ATOM 317 CG GLU A 91 7.209 2.297 -17.652 1.00 0.00 C ATOM 318 CD GLU A 91 8.335 2.976 -18.408 1.00 0.00 C ATOM 319 OE1 GLU A 91 8.162 4.148 -18.805 1.00 0.00 O1- ATOM 320 OE2 GLU A 91 9.390 2.336 -18.602 1.00 0.00 O ATOM 0 H GLU A 91 5.356 1.045 -16.436 1.00 0.00 H new ATOM 0 HA GLU A 91 7.832 1.069 -15.192 1.00 0.00 H new ATOM 0 HB2 GLU A 91 6.220 3.462 -16.153 1.00 0.00 H new ATOM 0 HB3 GLU A 91 7.962 3.387 -15.971 1.00 0.00 H new ATOM 0 HG2 GLU A 91 7.379 1.220 -17.644 1.00 0.00 H new ATOM 0 HG3 GLU A 91 6.269 2.467 -18.178 1.00 0.00 H new ATOM 327 N LEU A 92 5.565 2.884 -13.616 1.00 0.00 N ATOM 328 CA LEU A 92 5.224 3.499 -12.345 1.00 0.00 C ATOM 329 C LEU A 92 4.784 2.447 -11.329 1.00 0.00 C ATOM 330 O LEU A 92 4.884 2.663 -10.121 1.00 0.00 O ATOM 331 CB LEU A 92 4.120 4.536 -12.544 1.00 0.00 C ATOM 332 CG LEU A 92 3.920 5.515 -11.383 1.00 0.00 C ATOM 333 CD1 LEU A 92 3.250 4.822 -10.207 1.00 0.00 C ATOM 334 CD2 LEU A 92 5.250 6.122 -10.961 1.00 0.00 C ATOM 0 H LEU A 92 4.842 2.968 -14.330 1.00 0.00 H new ATOM 0 HA LEU A 92 6.113 3.995 -11.956 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.341 5.108 -13.445 1.00 0.00 H new ATOM 0 HB3 LEU A 92 3.181 4.012 -12.721 1.00 0.00 H new ATOM 0 HG LEU A 92 3.268 6.320 -11.722 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.117 5.534 -9.393 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.278 4.439 -10.516 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.875 3.996 -9.868 1.00 0.00 H new ATOM 0 HD21 LEU A 92 5.088 6.815 -10.135 1.00 0.00 H new ATOM 0 HD22 LEU A 92 5.927 5.329 -10.642 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.689 6.657 -11.803 1.00 0.00 H new ATOM 346 N ILE A 93 4.300 1.306 -11.819 1.00 0.00 N ATOM 347 CA ILE A 93 3.855 0.237 -10.937 1.00 0.00 C ATOM 348 C ILE A 93 5.039 -0.461 -10.284 1.00 0.00 C ATOM 349 O ILE A 93 5.002 -0.789 -9.098 1.00 0.00 O ATOM 350 CB ILE A 93 3.007 -0.794 -11.701 1.00 0.00 C ATOM 351 CG1 ILE A 93 1.873 -0.085 -12.442 1.00 0.00 C ATOM 352 CG2 ILE A 93 2.454 -1.845 -10.749 1.00 0.00 C ATOM 353 CD1 ILE A 93 1.021 -1.014 -13.273 1.00 0.00 C ATOM 0 H ILE A 93 4.208 1.103 -12.814 1.00 0.00 H new ATOM 0 HA ILE A 93 3.241 0.692 -10.160 1.00 0.00 H new ATOM 0 HB ILE A 93 3.640 -1.301 -12.430 1.00 0.00 H new ATOM 0 HG12 ILE A 93 1.239 0.425 -11.717 1.00 0.00 H new ATOM 0 HG13 ILE A 93 2.297 0.682 -13.090 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.857 -2.565 -11.309 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.279 -2.361 -10.258 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.829 -1.362 -9.997 1.00 0.00 H new ATOM 0 HD11 ILE A 93 0.237 -0.442 -13.770 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.642 -1.505 -14.022 1.00 0.00 H new ATOM 0 HD13 ILE A 93 0.568 -1.767 -12.628 1.00 0.00 H new ATOM 365 N LYS A 94 6.094 -0.677 -11.060 1.00 0.00 N ATOM 366 CA LYS A 94 7.292 -1.327 -10.548 1.00 0.00 C ATOM 367 C LYS A 94 7.978 -0.435 -9.520 1.00 0.00 C ATOM 368 O LYS A 94 8.561 -0.921 -8.551 1.00 0.00 O ATOM 369 CB LYS A 94 8.254 -1.656 -11.690 1.00 0.00 C ATOM 370 CG LYS A 94 8.851 -3.052 -11.599 1.00 0.00 C ATOM 371 CD LYS A 94 8.528 -3.881 -12.832 1.00 0.00 C ATOM 372 CE LYS A 94 9.706 -4.749 -13.246 1.00 0.00 C ATOM 373 NZ LYS A 94 9.435 -5.487 -14.510 1.00 0.00 N1+ ATOM 0 H LYS A 94 6.144 -0.412 -12.044 1.00 0.00 H new ATOM 0 HA LYS A 94 6.999 -2.259 -10.064 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.726 -1.556 -12.639 1.00 0.00 H new ATOM 0 HB3 LYS A 94 9.062 -0.924 -11.696 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.932 -2.979 -11.482 1.00 0.00 H new ATOM 0 HG3 LYS A 94 8.468 -3.555 -10.711 1.00 0.00 H new ATOM 0 HD2 LYS A 94 7.663 -4.513 -12.630 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.255 -3.220 -13.655 1.00 0.00 H new ATOM 0 HE2 LYS A 94 10.590 -4.124 -13.373 1.00 0.00 H new ATOM 0 HE3 LYS A 94 9.930 -5.460 -12.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 10.262 -6.067 -14.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 8.607 -6.103 -14.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.247 -4.808 -15.275 1.00 0.00 H new ATOM 387 N LYS A 95 7.890 0.877 -9.730 1.00 0.00 N ATOM 388 CA LYS A 95 8.490 1.835 -8.811 1.00 0.00 C ATOM 389 C LYS A 95 7.779 1.779 -7.463 1.00 0.00 C ATOM 390 O LYS A 95 8.411 1.617 -6.419 1.00 0.00 O ATOM 391 CB LYS A 95 8.414 3.250 -9.387 1.00 0.00 C ATOM 392 CG LYS A 95 9.535 3.572 -10.361 1.00 0.00 C ATOM 393 CD LYS A 95 9.482 5.023 -10.811 1.00 0.00 C ATOM 394 CE LYS A 95 8.815 5.161 -12.170 1.00 0.00 C ATOM 395 NZ LYS A 95 9.200 6.429 -12.851 1.00 0.00 N1+ ATOM 0 H LYS A 95 7.410 1.297 -10.526 1.00 0.00 H new ATOM 0 HA LYS A 95 9.539 1.574 -8.671 1.00 0.00 H new ATOM 0 HB2 LYS A 95 7.457 3.376 -9.893 1.00 0.00 H new ATOM 0 HB3 LYS A 95 8.438 3.968 -8.568 1.00 0.00 H new ATOM 0 HG2 LYS A 95 10.497 3.371 -9.890 1.00 0.00 H new ATOM 0 HG3 LYS A 95 9.463 2.918 -11.230 1.00 0.00 H new ATOM 0 HD2 LYS A 95 8.936 5.614 -10.075 1.00 0.00 H new ATOM 0 HD3 LYS A 95 10.493 5.428 -10.858 1.00 0.00 H new ATOM 0 HE2 LYS A 95 9.091 4.314 -12.798 1.00 0.00 H new ATOM 0 HE3 LYS A 95 7.732 5.128 -12.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 8.725 6.485 -13.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 8.914 7.239 -12.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 10.230 6.449 -12.991 1.00 0.00 H new ATOM 409 N LEU A 96 6.455 1.898 -7.502 1.00 0.00 N ATOM 410 CA LEU A 96 5.640 1.846 -6.294 1.00 0.00 C ATOM 411 C LEU A 96 5.899 0.553 -5.531 1.00 0.00 C ATOM 412 O LEU A 96 6.346 0.567 -4.384 1.00 0.00 O ATOM 413 CB LEU A 96 4.157 1.929 -6.663 1.00 0.00 C ATOM 414 CG LEU A 96 3.453 3.200 -6.228 1.00 0.00 C ATOM 415 CD1 LEU A 96 2.349 3.559 -7.211 1.00 0.00 C ATOM 416 CD2 LEU A 96 2.898 3.041 -4.820 1.00 0.00 C ATOM 0 H LEU A 96 5.922 2.032 -8.362 1.00 0.00 H new ATOM 0 HA LEU A 96 5.907 2.692 -5.660 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.062 1.832 -7.745 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.641 1.077 -6.220 1.00 0.00 H new ATOM 0 HG LEU A 96 4.176 4.016 -6.219 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.854 4.473 -6.884 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.779 3.713 -8.201 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.622 2.748 -7.254 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.395 3.961 -4.521 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.186 2.216 -4.801 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.714 2.832 -4.129 1.00 0.00 H new ATOM 428 N VAL A 97 5.606 -0.563 -6.187 1.00 0.00 N ATOM 429 CA VAL A 97 5.793 -1.877 -5.595 1.00 0.00 C ATOM 430 C VAL A 97 7.203 -2.040 -5.034 1.00 0.00 C ATOM 431 O VAL A 97 7.399 -2.654 -3.985 1.00 0.00 O ATOM 432 CB VAL A 97 5.519 -2.989 -6.624 1.00 0.00 C ATOM 433 CG1 VAL A 97 6.611 -3.033 -7.683 1.00 0.00 C ATOM 434 CG2 VAL A 97 5.382 -4.329 -5.928 1.00 0.00 C ATOM 0 H VAL A 97 5.235 -0.581 -7.137 1.00 0.00 H new ATOM 0 HA VAL A 97 5.079 -1.964 -4.776 1.00 0.00 H new ATOM 0 HB VAL A 97 4.578 -2.767 -7.128 1.00 0.00 H new ATOM 0 HG11 VAL A 97 6.393 -3.827 -8.397 1.00 0.00 H new ATOM 0 HG12 VAL A 97 6.651 -2.077 -8.204 1.00 0.00 H new ATOM 0 HG13 VAL A 97 7.572 -3.227 -7.207 1.00 0.00 H new ATOM 0 HG21 VAL A 97 5.188 -5.105 -6.668 1.00 0.00 H new ATOM 0 HG22 VAL A 97 6.305 -4.558 -5.395 1.00 0.00 H new ATOM 0 HG23 VAL A 97 4.554 -4.288 -5.220 1.00 0.00 H new ATOM 444 N ASP A 98 8.182 -1.480 -5.739 1.00 0.00 N ATOM 445 CA ASP A 98 9.572 -1.558 -5.308 1.00 0.00 C ATOM 446 C ASP A 98 9.732 -0.975 -3.907 1.00 0.00 C ATOM 447 O ASP A 98 10.613 -1.384 -3.152 1.00 0.00 O ATOM 448 CB ASP A 98 10.474 -0.813 -6.293 1.00 0.00 C ATOM 449 CG ASP A 98 11.259 -1.754 -7.184 1.00 0.00 C ATOM 450 OD1 ASP A 98 10.697 -2.792 -7.594 1.00 0.00 O1- ATOM 451 OD2 ASP A 98 12.438 -1.456 -7.471 1.00 0.00 O ATOM 0 H ASP A 98 8.038 -0.968 -6.610 1.00 0.00 H new ATOM 0 HA ASP A 98 9.867 -2.607 -5.283 1.00 0.00 H new ATOM 0 HB2 ASP A 98 9.865 -0.154 -6.912 1.00 0.00 H new ATOM 0 HB3 ASP A 98 11.167 -0.179 -5.739 1.00 0.00 H new ATOM 456 N GLN A 99 8.871 -0.021 -3.568 1.00 0.00 N ATOM 457 CA GLN A 99 8.910 0.614 -2.267 1.00 0.00 C ATOM 458 C GLN A 99 8.383 -0.325 -1.191 1.00 0.00 C ATOM 459 O GLN A 99 8.875 -0.327 -0.062 1.00 0.00 O ATOM 460 CB GLN A 99 8.080 1.895 -2.298 1.00 0.00 C ATOM 461 CG GLN A 99 8.410 2.807 -3.468 1.00 0.00 C ATOM 462 CD GLN A 99 9.467 3.838 -3.125 1.00 0.00 C ATOM 463 OE1 GLN A 99 9.062 5.102 -3.057 1.00 0.00 O flip ATOM 464 NE2 GLN A 99 10.634 3.504 -2.919 1.00 0.00 N flip ATOM 0 H GLN A 99 8.136 0.327 -4.184 1.00 0.00 H new ATOM 0 HA GLN A 99 9.945 0.858 -2.028 1.00 0.00 H new ATOM 0 HB2 GLN A 99 7.023 1.632 -2.340 1.00 0.00 H new ATOM 0 HB3 GLN A 99 8.236 2.441 -1.368 1.00 0.00 H new ATOM 0 HG2 GLN A 99 8.755 2.204 -4.308 1.00 0.00 H new ATOM 0 HG3 GLN A 99 7.503 3.317 -3.793 1.00 0.00 H new ATOM 0 HE21 GLN A 99 10.902 2.522 -2.982 1.00 0.00 H new ATOM 0 HE22 GLN A 99 11.333 4.209 -2.686 1.00 0.00 H new ATOM 473 N ILE A 100 7.377 -1.119 -1.542 1.00 0.00 N ATOM 474 CA ILE A 100 6.785 -2.054 -0.603 1.00 0.00 C ATOM 475 C ILE A 100 7.745 -3.170 -0.261 1.00 0.00 C ATOM 476 O ILE A 100 8.178 -3.313 0.881 1.00 0.00 O ATOM 477 CB ILE A 100 5.498 -2.681 -1.160 1.00 0.00 C ATOM 478 CG1 ILE A 100 4.659 -1.642 -1.903 1.00 0.00 C ATOM 479 CG2 ILE A 100 4.703 -3.296 -0.031 1.00 0.00 C ATOM 480 CD1 ILE A 100 4.507 -0.349 -1.142 1.00 0.00 C ATOM 0 H ILE A 100 6.957 -1.131 -2.471 1.00 0.00 H new ATOM 0 HA ILE A 100 6.550 -1.479 0.293 1.00 0.00 H new ATOM 0 HB ILE A 100 5.769 -3.460 -1.873 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.119 -1.436 -2.869 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.671 -2.057 -2.103 1.00 0.00 H new ATOM 0 HG21 ILE A 100 3.790 -3.740 -0.428 1.00 0.00 H new ATOM 0 HG22 ILE A 100 5.300 -4.067 0.456 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.445 -2.525 0.695 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.901 0.346 -1.723 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.020 -0.544 -0.187 1.00 0.00 H new ATOM 0 HD13 ILE A 100 5.490 0.087 -0.965 1.00 0.00 H new ATOM 492 N GLU A 101 8.090 -3.954 -1.263 1.00 0.00 N ATOM 493 CA GLU A 101 9.022 -5.056 -1.067 1.00 0.00 C ATOM 494 C GLU A 101 10.286 -4.556 -0.373 1.00 0.00 C ATOM 495 O GLU A 101 11.012 -5.326 0.255 1.00 0.00 O ATOM 496 CB GLU A 101 9.377 -5.700 -2.409 1.00 0.00 C ATOM 497 CG GLU A 101 10.341 -6.869 -2.286 1.00 0.00 C ATOM 498 CD GLU A 101 11.754 -6.506 -2.701 1.00 0.00 C ATOM 499 OE1 GLU A 101 12.242 -5.438 -2.275 1.00 0.00 O ATOM 500 OE2 GLU A 101 12.372 -7.289 -3.452 1.00 0.00 O1- ATOM 0 H GLU A 101 7.744 -3.853 -2.217 1.00 0.00 H new ATOM 0 HA GLU A 101 8.546 -5.807 -0.437 1.00 0.00 H new ATOM 0 HB2 GLU A 101 8.462 -6.044 -2.891 1.00 0.00 H new ATOM 0 HB3 GLU A 101 9.816 -4.944 -3.060 1.00 0.00 H new ATOM 0 HG2 GLU A 101 10.349 -7.222 -1.255 1.00 0.00 H new ATOM 0 HG3 GLU A 101 9.986 -7.694 -2.903 1.00 0.00 H new ATOM 507 N PHE A 102 10.537 -3.254 -0.497 1.00 0.00 N ATOM 508 CA PHE A 102 11.706 -2.634 0.111 1.00 0.00 C ATOM 509 C PHE A 102 11.447 -2.216 1.556 1.00 0.00 C ATOM 510 O PHE A 102 12.311 -2.373 2.418 1.00 0.00 O ATOM 511 CB PHE A 102 12.141 -1.418 -0.706 1.00 0.00 C ATOM 512 CG PHE A 102 13.419 -0.794 -0.223 1.00 0.00 C ATOM 513 CD1 PHE A 102 14.646 -1.307 -0.613 1.00 0.00 C ATOM 514 CD2 PHE A 102 13.393 0.304 0.622 1.00 0.00 C ATOM 515 CE1 PHE A 102 15.824 -0.734 -0.170 1.00 0.00 C ATOM 516 CE2 PHE A 102 14.568 0.880 1.069 1.00 0.00 C ATOM 517 CZ PHE A 102 15.785 0.361 0.672 1.00 0.00 C ATOM 0 H PHE A 102 9.942 -2.608 -1.016 1.00 0.00 H new ATOM 0 HA PHE A 102 12.502 -3.379 0.117 1.00 0.00 H new ATOM 0 HB2 PHE A 102 12.263 -1.715 -1.748 1.00 0.00 H new ATOM 0 HB3 PHE A 102 11.348 -0.670 -0.679 1.00 0.00 H new ATOM 0 HD1 PHE A 102 14.683 -2.163 -1.270 1.00 0.00 H new ATOM 0 HD2 PHE A 102 12.444 0.715 0.935 1.00 0.00 H new ATOM 0 HE1 PHE A 102 16.774 -1.142 -0.482 1.00 0.00 H new ATOM 0 HE2 PHE A 102 14.534 1.735 1.728 1.00 0.00 H new ATOM 0 HZ PHE A 102 16.704 0.810 1.019 1.00 0.00 H new ATOM 527 N TYR A 103 10.267 -1.652 1.812 1.00 0.00 N ATOM 528 CA TYR A 103 9.928 -1.180 3.152 1.00 0.00 C ATOM 529 C TYR A 103 9.532 -2.313 4.085 1.00 0.00 C ATOM 530 O TYR A 103 9.553 -2.161 5.307 1.00 0.00 O ATOM 531 CB TYR A 103 8.867 -0.069 3.086 1.00 0.00 C ATOM 532 CG TYR A 103 7.418 -0.462 2.797 1.00 0.00 C ATOM 533 CD1 TYR A 103 6.976 -1.782 2.711 1.00 0.00 C ATOM 534 CD2 TYR A 103 6.473 0.544 2.615 1.00 0.00 C ATOM 535 CE1 TYR A 103 5.655 -2.076 2.457 1.00 0.00 C ATOM 536 CE2 TYR A 103 5.150 0.252 2.363 1.00 0.00 C ATOM 537 CZ TYR A 103 4.744 -1.057 2.286 1.00 0.00 C ATOM 538 OH TYR A 103 3.423 -1.351 2.040 1.00 0.00 O ATOM 0 H TYR A 103 9.536 -1.512 1.115 1.00 0.00 H new ATOM 0 HA TYR A 103 10.829 -0.746 3.587 1.00 0.00 H new ATOM 0 HB2 TYR A 103 8.883 0.462 4.038 1.00 0.00 H new ATOM 0 HB3 TYR A 103 9.177 0.641 2.319 1.00 0.00 H new ATOM 0 HD1 TYR A 103 7.682 -2.588 2.846 1.00 0.00 H new ATOM 0 HD2 TYR A 103 6.784 1.577 2.673 1.00 0.00 H new ATOM 0 HE1 TYR A 103 5.333 -3.105 2.392 1.00 0.00 H new ATOM 0 HE2 TYR A 103 4.435 1.050 2.227 1.00 0.00 H new ATOM 0 HH TYR A 103 3.197 -2.210 2.453 1.00 0.00 H new ATOM 548 N PHE A 104 9.198 -3.454 3.508 1.00 0.00 N ATOM 549 CA PHE A 104 8.828 -4.621 4.294 1.00 0.00 C ATOM 550 C PHE A 104 10.063 -5.465 4.606 1.00 0.00 C ATOM 551 O PHE A 104 9.984 -6.455 5.334 1.00 0.00 O ATOM 552 CB PHE A 104 7.773 -5.455 3.556 1.00 0.00 C ATOM 553 CG PHE A 104 7.613 -6.851 4.094 1.00 0.00 C ATOM 554 CD1 PHE A 104 7.334 -7.063 5.435 1.00 0.00 C ATOM 555 CD2 PHE A 104 7.747 -7.948 3.259 1.00 0.00 C ATOM 556 CE1 PHE A 104 7.191 -8.344 5.932 1.00 0.00 C ATOM 557 CE2 PHE A 104 7.605 -9.232 3.750 1.00 0.00 C ATOM 558 CZ PHE A 104 7.326 -9.430 5.088 1.00 0.00 C ATOM 0 H PHE A 104 9.175 -3.599 2.499 1.00 0.00 H new ATOM 0 HA PHE A 104 8.396 -4.282 5.236 1.00 0.00 H new ATOM 0 HB2 PHE A 104 6.813 -4.942 3.614 1.00 0.00 H new ATOM 0 HB3 PHE A 104 8.042 -5.511 2.501 1.00 0.00 H new ATOM 0 HD1 PHE A 104 7.227 -6.218 6.099 1.00 0.00 H new ATOM 0 HD2 PHE A 104 7.965 -7.798 2.212 1.00 0.00 H new ATOM 0 HE1 PHE A 104 6.974 -8.497 6.979 1.00 0.00 H new ATOM 0 HE2 PHE A 104 7.712 -10.079 3.089 1.00 0.00 H new ATOM 0 HZ PHE A 104 7.213 -10.432 5.474 1.00 0.00 H new ATOM 568 N SER A 105 11.207 -5.060 4.067 1.00 0.00 N ATOM 569 CA SER A 105 12.449 -5.778 4.311 1.00 0.00 C ATOM 570 C SER A 105 12.810 -5.705 5.791 1.00 0.00 C ATOM 571 O SER A 105 12.563 -4.692 6.443 1.00 0.00 O ATOM 572 CB SER A 105 13.581 -5.190 3.465 1.00 0.00 C ATOM 573 OG SER A 105 14.638 -6.120 3.310 1.00 0.00 O ATOM 0 H SER A 105 11.299 -4.244 3.462 1.00 0.00 H new ATOM 0 HA SER A 105 12.311 -6.822 4.029 1.00 0.00 H new ATOM 0 HB2 SER A 105 13.197 -4.905 2.486 1.00 0.00 H new ATOM 0 HB3 SER A 105 13.957 -4.282 3.936 1.00 0.00 H new ATOM 0 HG SER A 105 15.348 -5.721 2.764 1.00 0.00 H new ATOM 579 N ASP A 106 13.388 -6.781 6.318 1.00 0.00 N ATOM 580 CA ASP A 106 13.775 -6.834 7.731 1.00 0.00 C ATOM 581 C ASP A 106 14.400 -5.516 8.184 1.00 0.00 C ATOM 582 O ASP A 106 13.938 -4.886 9.135 1.00 0.00 O ATOM 583 CB ASP A 106 14.767 -7.975 7.972 1.00 0.00 C ATOM 584 CG ASP A 106 15.745 -8.152 6.826 1.00 0.00 C ATOM 585 OD1 ASP A 106 15.355 -8.740 5.796 1.00 0.00 O1- ATOM 586 OD2 ASP A 106 16.904 -7.703 6.960 1.00 0.00 O ATOM 0 H ASP A 106 13.600 -7.629 5.791 1.00 0.00 H new ATOM 0 HA ASP A 106 12.870 -7.009 8.313 1.00 0.00 H new ATOM 0 HB2 ASP A 106 15.321 -7.781 8.890 1.00 0.00 H new ATOM 0 HB3 ASP A 106 14.217 -8.904 8.121 1.00 0.00 H new ATOM 591 N GLU A 107 15.458 -5.113 7.492 1.00 0.00 N ATOM 592 CA GLU A 107 16.168 -3.892 7.791 1.00 0.00 C ATOM 593 C GLU A 107 15.283 -2.660 7.631 1.00 0.00 C ATOM 594 O GLU A 107 15.556 -1.607 8.206 1.00 0.00 O ATOM 595 CB GLU A 107 17.363 -3.797 6.856 1.00 0.00 C ATOM 596 CG GLU A 107 17.014 -3.356 5.442 1.00 0.00 C ATOM 597 CD GLU A 107 18.206 -3.399 4.506 1.00 0.00 C ATOM 598 OE1 GLU A 107 18.461 -4.470 3.919 1.00 0.00 O1- ATOM 599 OE2 GLU A 107 18.886 -2.361 4.363 1.00 0.00 O ATOM 0 H GLU A 107 15.844 -5.633 6.704 1.00 0.00 H new ATOM 0 HA GLU A 107 16.489 -3.919 8.832 1.00 0.00 H new ATOM 0 HB2 GLU A 107 18.084 -3.096 7.276 1.00 0.00 H new ATOM 0 HB3 GLU A 107 17.853 -4.769 6.811 1.00 0.00 H new ATOM 0 HG2 GLU A 107 16.225 -3.998 5.050 1.00 0.00 H new ATOM 0 HG3 GLU A 107 16.615 -2.342 5.470 1.00 0.00 H new ATOM 606 N ASN A 108 14.233 -2.799 6.838 1.00 0.00 N ATOM 607 CA ASN A 108 13.313 -1.697 6.587 1.00 0.00 C ATOM 608 C ASN A 108 12.167 -1.704 7.589 1.00 0.00 C ATOM 609 O ASN A 108 11.478 -0.702 7.761 1.00 0.00 O ATOM 610 CB ASN A 108 12.770 -1.768 5.159 1.00 0.00 C ATOM 611 CG ASN A 108 13.384 -0.713 4.260 1.00 0.00 C ATOM 612 OD1 ASN A 108 12.765 0.312 3.974 1.00 0.00 O ATOM 613 ND2 ASN A 108 14.608 -0.959 3.808 1.00 0.00 N ATOM 0 H ASN A 108 13.995 -3.665 6.355 1.00 0.00 H new ATOM 0 HA ASN A 108 13.864 -0.764 6.706 1.00 0.00 H new ATOM 0 HB2 ASN A 108 12.969 -2.756 4.745 1.00 0.00 H new ATOM 0 HB3 ASN A 108 11.687 -1.642 5.177 1.00 0.00 H new ATOM 0 HD21 ASN A 108 15.072 -0.285 3.199 1.00 0.00 H new ATOM 0 HD22 ASN A 108 15.085 -1.822 4.070 1.00 0.00 H new ATOM 620 N LEU A 109 11.977 -2.835 8.255 1.00 0.00 N ATOM 621 CA LEU A 109 10.933 -2.971 9.244 1.00 0.00 C ATOM 622 C LEU A 109 11.281 -2.156 10.463 1.00 0.00 C ATOM 623 O LEU A 109 10.484 -1.347 10.939 1.00 0.00 O ATOM 624 CB LEU A 109 10.773 -4.432 9.608 1.00 0.00 C ATOM 625 CG LEU A 109 9.761 -5.192 8.762 1.00 0.00 C ATOM 626 CD1 LEU A 109 8.449 -5.298 9.512 1.00 0.00 C ATOM 627 CD2 LEU A 109 9.537 -4.526 7.412 1.00 0.00 C ATOM 0 H LEU A 109 12.541 -3.674 8.122 1.00 0.00 H new ATOM 0 HA LEU A 109 9.990 -2.604 8.839 1.00 0.00 H new ATOM 0 HB2 LEU A 109 11.742 -4.923 9.519 1.00 0.00 H new ATOM 0 HB3 LEU A 109 10.476 -4.501 10.654 1.00 0.00 H new ATOM 0 HG LEU A 109 10.161 -6.188 8.574 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.726 -5.842 8.905 1.00 0.00 H new ATOM 0 HD12 LEU A 109 8.608 -5.829 10.450 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.068 -4.299 9.721 1.00 0.00 H new ATOM 0 HD21 LEU A 109 8.808 -5.100 6.840 1.00 0.00 H new ATOM 0 HD22 LEU A 109 9.163 -3.513 7.563 1.00 0.00 H new ATOM 0 HD23 LEU A 109 10.479 -4.487 6.865 1.00 0.00 H new ATOM 639 N GLU A 110 12.499 -2.352 10.950 1.00 0.00 N ATOM 640 CA GLU A 110 12.977 -1.615 12.094 1.00 0.00 C ATOM 641 C GLU A 110 12.846 -0.110 11.851 1.00 0.00 C ATOM 642 O GLU A 110 12.971 0.693 12.775 1.00 0.00 O ATOM 643 CB GLU A 110 14.437 -1.955 12.432 1.00 0.00 C ATOM 644 CG GLU A 110 15.035 -3.118 11.662 1.00 0.00 C ATOM 645 CD GLU A 110 16.539 -3.214 11.841 1.00 0.00 C ATOM 646 OE1 GLU A 110 17.013 -3.035 12.982 1.00 0.00 O ATOM 647 OE2 GLU A 110 17.241 -3.467 10.840 1.00 0.00 O1- ATOM 0 H GLU A 110 13.169 -3.018 10.565 1.00 0.00 H new ATOM 0 HA GLU A 110 12.359 -1.907 12.943 1.00 0.00 H new ATOM 0 HB2 GLU A 110 15.048 -1.071 12.252 1.00 0.00 H new ATOM 0 HB3 GLU A 110 14.502 -2.176 13.497 1.00 0.00 H new ATOM 0 HG2 GLU A 110 14.572 -4.047 11.994 1.00 0.00 H new ATOM 0 HG3 GLU A 110 14.804 -3.007 10.603 1.00 0.00 H new ATOM 654 N LYS A 111 12.608 0.260 10.591 1.00 0.00 N ATOM 655 CA LYS A 111 12.476 1.652 10.204 1.00 0.00 C ATOM 656 C LYS A 111 11.075 1.959 9.673 1.00 0.00 C ATOM 657 O LYS A 111 10.668 3.119 9.608 1.00 0.00 O ATOM 658 CB LYS A 111 13.513 1.968 9.131 1.00 0.00 C ATOM 659 CG LYS A 111 14.836 2.458 9.693 1.00 0.00 C ATOM 660 CD LYS A 111 14.684 3.805 10.382 1.00 0.00 C ATOM 661 CE LYS A 111 14.593 3.652 11.892 1.00 0.00 C ATOM 662 NZ LYS A 111 13.573 4.565 12.481 1.00 0.00 N1+ ATOM 0 H LYS A 111 12.503 -0.399 9.819 1.00 0.00 H new ATOM 0 HA LYS A 111 12.639 2.272 11.085 1.00 0.00 H new ATOM 0 HB2 LYS A 111 13.690 1.074 8.533 1.00 0.00 H new ATOM 0 HB3 LYS A 111 13.110 2.726 8.459 1.00 0.00 H new ATOM 0 HG2 LYS A 111 15.224 1.727 10.402 1.00 0.00 H new ATOM 0 HG3 LYS A 111 15.566 2.540 8.888 1.00 0.00 H new ATOM 0 HD2 LYS A 111 15.532 4.441 10.130 1.00 0.00 H new ATOM 0 HD3 LYS A 111 13.789 4.305 10.011 1.00 0.00 H new ATOM 0 HE2 LYS A 111 14.342 2.620 12.138 1.00 0.00 H new ATOM 0 HE3 LYS A 111 15.566 3.859 12.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 13.541 4.431 13.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 13.825 5.551 12.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 12.640 4.351 12.075 1.00 0.00 H new ATOM 676 N ASP A 112 10.348 0.917 9.279 1.00 0.00 N ATOM 677 CA ASP A 112 9.005 1.083 8.736 1.00 0.00 C ATOM 678 C ASP A 112 7.945 0.685 9.753 1.00 0.00 C ATOM 679 O ASP A 112 6.872 0.197 9.393 1.00 0.00 O ATOM 680 CB ASP A 112 8.853 0.247 7.470 1.00 0.00 C ATOM 681 CG ASP A 112 7.703 0.713 6.600 1.00 0.00 C ATOM 682 OD1 ASP A 112 7.137 1.787 6.890 1.00 0.00 O1- ATOM 683 OD2 ASP A 112 7.370 0.004 5.627 1.00 0.00 O ATOM 0 H ASP A 112 10.667 -0.051 9.326 1.00 0.00 H new ATOM 0 HA ASP A 112 8.863 2.137 8.496 1.00 0.00 H new ATOM 0 HB2 ASP A 112 9.779 0.291 6.896 1.00 0.00 H new ATOM 0 HB3 ASP A 112 8.697 -0.796 7.744 1.00 0.00 H new ATOM 688 N ALA A 113 8.253 0.900 11.023 1.00 0.00 N ATOM 689 CA ALA A 113 7.328 0.571 12.101 1.00 0.00 C ATOM 690 C ALA A 113 5.958 1.204 11.863 1.00 0.00 C ATOM 691 O ALA A 113 4.942 0.708 12.347 1.00 0.00 O ATOM 692 CB ALA A 113 7.895 1.023 13.438 1.00 0.00 C ATOM 0 H ALA A 113 9.137 1.301 11.334 1.00 0.00 H new ATOM 0 HA ALA A 113 7.200 -0.511 12.120 1.00 0.00 H new ATOM 0 HB1 ALA A 113 7.194 0.771 14.234 1.00 0.00 H new ATOM 0 HB2 ALA A 113 8.845 0.521 13.619 1.00 0.00 H new ATOM 0 HB3 ALA A 113 8.052 2.101 13.421 1.00 0.00 H new ATOM 698 N PHE A 114 5.940 2.303 11.114 1.00 0.00 N ATOM 699 CA PHE A 114 4.695 3.000 10.814 1.00 0.00 C ATOM 700 C PHE A 114 3.840 2.208 9.826 1.00 0.00 C ATOM 701 O PHE A 114 2.637 2.439 9.715 1.00 0.00 O ATOM 702 CB PHE A 114 4.977 4.402 10.265 1.00 0.00 C ATOM 703 CG PHE A 114 5.894 4.420 9.074 1.00 0.00 C ATOM 704 CD1 PHE A 114 5.383 4.324 7.789 1.00 0.00 C ATOM 705 CD2 PHE A 114 7.264 4.542 9.241 1.00 0.00 C ATOM 706 CE1 PHE A 114 6.224 4.348 6.692 1.00 0.00 C ATOM 707 CE2 PHE A 114 8.108 4.566 8.147 1.00 0.00 C ATOM 708 CZ PHE A 114 7.587 4.469 6.872 1.00 0.00 C ATOM 0 H PHE A 114 6.772 2.729 10.705 1.00 0.00 H new ATOM 0 HA PHE A 114 4.137 3.095 11.746 1.00 0.00 H new ATOM 0 HB2 PHE A 114 4.032 4.870 9.990 1.00 0.00 H new ATOM 0 HB3 PHE A 114 5.415 5.010 11.057 1.00 0.00 H new ATOM 0 HD1 PHE A 114 4.317 4.229 7.643 1.00 0.00 H new ATOM 0 HD2 PHE A 114 7.676 4.619 10.236 1.00 0.00 H new ATOM 0 HE1 PHE A 114 5.815 4.272 5.695 1.00 0.00 H new ATOM 0 HE2 PHE A 114 9.174 4.661 8.289 1.00 0.00 H new ATOM 0 HZ PHE A 114 8.246 4.488 6.016 1.00 0.00 H new ATOM 718 N LEU A 115 4.460 1.275 9.108 1.00 0.00 N ATOM 719 CA LEU A 115 3.735 0.460 8.140 1.00 0.00 C ATOM 720 C LEU A 115 3.053 -0.721 8.825 1.00 0.00 C ATOM 721 O LEU A 115 1.831 -0.855 8.782 1.00 0.00 O ATOM 722 CB LEU A 115 4.681 -0.049 7.046 1.00 0.00 C ATOM 723 CG LEU A 115 4.001 -0.797 5.896 1.00 0.00 C ATOM 724 CD1 LEU A 115 3.498 0.184 4.849 1.00 0.00 C ATOM 725 CD2 LEU A 115 4.955 -1.809 5.271 1.00 0.00 C ATOM 0 H LEU A 115 5.456 1.066 9.178 1.00 0.00 H new ATOM 0 HA LEU A 115 2.970 1.087 7.682 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.226 0.801 6.634 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.418 -0.709 7.503 1.00 0.00 H new ATOM 0 HG LEU A 115 3.146 -1.341 6.298 1.00 0.00 H new ATOM 0 HD11 LEU A 115 3.017 -0.364 4.038 1.00 0.00 H new ATOM 0 HD12 LEU A 115 2.778 0.864 5.304 1.00 0.00 H new ATOM 0 HD13 LEU A 115 4.337 0.756 4.453 1.00 0.00 H new ATOM 0 HD21 LEU A 115 4.451 -2.329 4.456 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.832 -1.291 4.883 1.00 0.00 H new ATOM 0 HD23 LEU A 115 5.265 -2.532 6.026 1.00 0.00 H new ATOM 737 N LEU A 116 3.855 -1.578 9.452 1.00 0.00 N ATOM 738 CA LEU A 116 3.330 -2.755 10.139 1.00 0.00 C ATOM 739 C LEU A 116 2.865 -2.425 11.558 1.00 0.00 C ATOM 740 O LEU A 116 1.684 -2.548 11.879 1.00 0.00 O ATOM 741 CB LEU A 116 4.393 -3.857 10.183 1.00 0.00 C ATOM 742 CG LEU A 116 4.240 -4.944 9.118 1.00 0.00 C ATOM 743 CD1 LEU A 116 2.882 -5.618 9.235 1.00 0.00 C ATOM 744 CD2 LEU A 116 4.428 -4.355 7.727 1.00 0.00 C ATOM 0 H LEU A 116 4.869 -1.480 9.499 1.00 0.00 H new ATOM 0 HA LEU A 116 2.464 -3.104 9.577 1.00 0.00 H new ATOM 0 HB2 LEU A 116 5.376 -3.398 10.074 1.00 0.00 H new ATOM 0 HB3 LEU A 116 4.368 -4.326 11.166 1.00 0.00 H new ATOM 0 HG LEU A 116 5.011 -5.697 9.280 1.00 0.00 H new ATOM 0 HD11 LEU A 116 2.791 -6.388 8.469 1.00 0.00 H new ATOM 0 HD12 LEU A 116 2.785 -6.073 10.221 1.00 0.00 H new ATOM 0 HD13 LEU A 116 2.095 -4.876 9.099 1.00 0.00 H new ATOM 0 HD21 LEU A 116 4.316 -5.141 6.981 1.00 0.00 H new ATOM 0 HD22 LEU A 116 3.679 -3.582 7.555 1.00 0.00 H new ATOM 0 HD23 LEU A 116 5.424 -3.919 7.648 1.00 0.00 H new ATOM 922 N TYR A 126 -3.078 -5.862 8.978 1.00 0.00 N ATOM 923 CA TYR A 126 -2.822 -5.545 7.578 1.00 0.00 C ATOM 924 C TYR A 126 -2.457 -4.073 7.413 1.00 0.00 C ATOM 925 O TYR A 126 -2.839 -3.235 8.229 1.00 0.00 O ATOM 926 CB TYR A 126 -4.049 -5.873 6.725 1.00 0.00 C ATOM 927 CG TYR A 126 -4.363 -7.351 6.649 1.00 0.00 C ATOM 928 CD1 TYR A 126 -4.648 -8.082 7.796 1.00 0.00 C ATOM 929 CD2 TYR A 126 -4.377 -8.016 5.429 1.00 0.00 C ATOM 930 CE1 TYR A 126 -4.936 -9.431 7.730 1.00 0.00 C ATOM 931 CE2 TYR A 126 -4.665 -9.365 5.353 1.00 0.00 C ATOM 932 CZ TYR A 126 -4.944 -10.068 6.506 1.00 0.00 C ATOM 933 OH TYR A 126 -5.230 -11.412 6.436 1.00 0.00 O ATOM 0 HA TYR A 126 -1.981 -6.152 7.243 1.00 0.00 H new ATOM 0 HB2 TYR A 126 -4.913 -5.348 7.132 1.00 0.00 H new ATOM 0 HB3 TYR A 126 -3.891 -5.492 5.716 1.00 0.00 H new ATOM 0 HD1 TYR A 126 -4.644 -7.587 8.756 1.00 0.00 H new ATOM 0 HD2 TYR A 126 -4.159 -7.468 4.524 1.00 0.00 H new ATOM 0 HE1 TYR A 126 -5.154 -9.984 8.632 1.00 0.00 H new ATOM 0 HE2 TYR A 126 -4.672 -9.866 4.396 1.00 0.00 H new ATOM 0 HH TYR A 126 -5.195 -11.706 5.502 1.00 0.00 H new ATOM 943 N VAL A 127 -1.719 -3.763 6.352 1.00 0.00 N ATOM 944 CA VAL A 127 -1.311 -2.394 6.082 1.00 0.00 C ATOM 945 C VAL A 127 -2.205 -1.771 5.019 1.00 0.00 C ATOM 946 O VAL A 127 -2.310 -2.283 3.907 1.00 0.00 O ATOM 947 CB VAL A 127 0.152 -2.339 5.611 1.00 0.00 C ATOM 948 CG1 VAL A 127 0.591 -0.906 5.362 1.00 0.00 C ATOM 949 CG2 VAL A 127 1.062 -3.022 6.620 1.00 0.00 C ATOM 0 H VAL A 127 -1.392 -4.444 5.666 1.00 0.00 H new ATOM 0 HA VAL A 127 -1.406 -1.831 7.010 1.00 0.00 H new ATOM 0 HB VAL A 127 0.227 -2.877 4.666 1.00 0.00 H new ATOM 0 HG11 VAL A 127 1.629 -0.896 5.030 1.00 0.00 H new ATOM 0 HG12 VAL A 127 -0.040 -0.460 4.593 1.00 0.00 H new ATOM 0 HG13 VAL A 127 0.499 -0.332 6.284 1.00 0.00 H new ATOM 0 HG21 VAL A 127 2.093 -2.974 6.271 1.00 0.00 H new ATOM 0 HG22 VAL A 127 0.981 -2.518 7.583 1.00 0.00 H new ATOM 0 HG23 VAL A 127 0.765 -4.065 6.731 1.00 0.00 H new ATOM 959 N SER A 128 -2.855 -0.671 5.367 1.00 0.00 N ATOM 960 CA SER A 128 -3.749 0.001 4.436 1.00 0.00 C ATOM 961 C SER A 128 -2.974 0.700 3.322 1.00 0.00 C ATOM 962 O SER A 128 -2.128 1.562 3.578 1.00 0.00 O ATOM 963 CB SER A 128 -4.628 1.012 5.174 1.00 0.00 C ATOM 964 OG SER A 128 -5.884 1.160 4.536 1.00 0.00 O ATOM 0 H SER A 128 -2.781 -0.226 6.282 1.00 0.00 H new ATOM 0 HA SER A 128 -4.383 -0.760 3.981 1.00 0.00 H new ATOM 0 HB2 SER A 128 -4.776 0.686 6.203 1.00 0.00 H new ATOM 0 HB3 SER A 128 -4.122 1.977 5.215 1.00 0.00 H new ATOM 0 HG SER A 128 -6.427 1.810 5.029 1.00 0.00 H new ATOM 970 N VAL A 129 -3.275 0.331 2.080 1.00 0.00 N ATOM 971 CA VAL A 129 -2.614 0.931 0.931 1.00 0.00 C ATOM 972 C VAL A 129 -2.825 2.443 0.919 1.00 0.00 C ATOM 973 O VAL A 129 -2.011 3.191 0.377 1.00 0.00 O ATOM 974 CB VAL A 129 -3.115 0.323 -0.399 1.00 0.00 C ATOM 975 CG1 VAL A 129 -4.451 0.923 -0.813 1.00 0.00 C ATOM 976 CG2 VAL A 129 -2.071 0.515 -1.488 1.00 0.00 C ATOM 0 H VAL A 129 -3.970 -0.378 1.847 1.00 0.00 H new ATOM 0 HA VAL A 129 -1.549 0.716 1.022 1.00 0.00 H new ATOM 0 HB VAL A 129 -3.270 -0.746 -0.250 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -4.776 0.475 -1.752 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -5.194 0.725 -0.040 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -4.341 2.000 -0.944 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -2.434 0.083 -2.420 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -1.885 1.580 -1.630 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -1.145 0.020 -1.195 1.00 0.00 H new ATOM 986 N LYS A 130 -3.921 2.886 1.530 1.00 0.00 N ATOM 987 CA LYS A 130 -4.235 4.308 1.601 1.00 0.00 C ATOM 988 C LYS A 130 -3.102 5.068 2.279 1.00 0.00 C ATOM 989 O LYS A 130 -2.845 6.230 1.968 1.00 0.00 O ATOM 990 CB LYS A 130 -5.545 4.529 2.361 1.00 0.00 C ATOM 991 CG LYS A 130 -6.758 4.661 1.457 1.00 0.00 C ATOM 992 CD LYS A 130 -7.745 5.685 1.995 1.00 0.00 C ATOM 993 CE LYS A 130 -8.682 6.183 0.907 1.00 0.00 C ATOM 994 NZ LYS A 130 -10.008 5.510 0.963 1.00 0.00 N1+ ATOM 0 H LYS A 130 -4.605 2.280 1.982 1.00 0.00 H new ATOM 0 HA LYS A 130 -4.352 4.686 0.585 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -5.702 3.696 3.047 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -5.455 5.430 2.968 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -6.438 4.953 0.457 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -7.251 3.693 1.364 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -8.327 5.241 2.802 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -7.200 6.528 2.421 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -8.817 7.260 1.010 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -8.229 6.010 -0.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -10.617 5.878 0.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -9.883 4.485 0.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -10.453 5.696 1.885 1.00 0.00 H new ATOM 1008 N LEU A 131 -2.419 4.396 3.202 1.00 0.00 N ATOM 1009 CA LEU A 131 -1.305 5.003 3.914 1.00 0.00 C ATOM 1010 C LEU A 131 -0.048 4.981 3.049 1.00 0.00 C ATOM 1011 O LEU A 131 0.780 5.890 3.116 1.00 0.00 O ATOM 1012 CB LEU A 131 -1.076 4.292 5.254 1.00 0.00 C ATOM 1013 CG LEU A 131 0.057 3.275 5.262 1.00 0.00 C ATOM 1014 CD1 LEU A 131 1.357 3.934 5.696 1.00 0.00 C ATOM 1015 CD2 LEU A 131 -0.280 2.098 6.164 1.00 0.00 C ATOM 0 H LEU A 131 -2.619 3.433 3.472 1.00 0.00 H new ATOM 0 HA LEU A 131 -1.546 6.045 4.127 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -0.873 5.044 6.016 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -1.998 3.787 5.542 1.00 0.00 H new ATOM 0 HG LEU A 131 0.186 2.895 4.248 1.00 0.00 H new ATOM 0 HD11 LEU A 131 2.157 3.194 5.697 1.00 0.00 H new ATOM 0 HD12 LEU A 131 1.606 4.738 5.003 1.00 0.00 H new ATOM 0 HD13 LEU A 131 1.240 4.343 6.700 1.00 0.00 H new ATOM 0 HD21 LEU A 131 0.544 1.384 6.154 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -0.440 2.454 7.182 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -1.186 1.611 5.804 1.00 0.00 H new ATOM 1027 N LEU A 132 0.080 3.942 2.226 1.00 0.00 N ATOM 1028 CA LEU A 132 1.230 3.811 1.337 1.00 0.00 C ATOM 1029 C LEU A 132 1.354 5.036 0.436 1.00 0.00 C ATOM 1030 O LEU A 132 2.456 5.463 0.095 1.00 0.00 O ATOM 1031 CB LEU A 132 1.092 2.556 0.476 1.00 0.00 C ATOM 1032 CG LEU A 132 1.753 1.299 1.038 1.00 0.00 C ATOM 1033 CD1 LEU A 132 1.357 1.085 2.492 1.00 0.00 C ATOM 1034 CD2 LEU A 132 1.374 0.093 0.197 1.00 0.00 C ATOM 0 H LEU A 132 -0.596 3.182 2.157 1.00 0.00 H new ATOM 0 HA LEU A 132 2.127 3.731 1.950 1.00 0.00 H new ATOM 0 HB2 LEU A 132 0.031 2.353 0.328 1.00 0.00 H new ATOM 0 HB3 LEU A 132 1.518 2.761 -0.506 1.00 0.00 H new ATOM 0 HG LEU A 132 2.835 1.427 1.000 1.00 0.00 H new ATOM 0 HD11 LEU A 132 1.839 0.184 2.872 1.00 0.00 H new ATOM 0 HD12 LEU A 132 1.673 1.943 3.085 1.00 0.00 H new ATOM 0 HD13 LEU A 132 0.275 0.974 2.562 1.00 0.00 H new ATOM 0 HD21 LEU A 132 1.850 -0.799 0.605 1.00 0.00 H new ATOM 0 HD22 LEU A 132 0.292 -0.035 0.211 1.00 0.00 H new ATOM 0 HD23 LEU A 132 1.708 0.245 -0.829 1.00 0.00 H new ATOM 1046 N THR A 133 0.208 5.589 0.053 1.00 0.00 N ATOM 1047 CA THR A 133 0.167 6.757 -0.809 1.00 0.00 C ATOM 1048 C THR A 133 0.640 7.994 -0.065 1.00 0.00 C ATOM 1049 O THR A 133 1.305 8.863 -0.629 1.00 0.00 O ATOM 1050 CB THR A 133 -1.254 6.965 -1.317 1.00 0.00 C ATOM 1051 OG1 THR A 133 -2.199 6.406 -0.417 1.00 0.00 O ATOM 1052 CG2 THR A 133 -1.487 6.349 -2.673 1.00 0.00 C ATOM 0 H THR A 133 -0.710 5.241 0.331 1.00 0.00 H new ATOM 0 HA THR A 133 0.835 6.592 -1.654 1.00 0.00 H new ATOM 0 HB THR A 133 -1.383 8.044 -1.395 1.00 0.00 H new ATOM 0 HG1 THR A 133 -2.011 6.721 0.492 1.00 0.00 H new ATOM 0 HG21 THR A 133 -2.516 6.529 -2.983 1.00 0.00 H new ATOM 0 HG22 THR A 133 -0.806 6.796 -3.398 1.00 0.00 H new ATOM 0 HG23 THR A 133 -1.307 5.275 -2.621 1.00 0.00 H new ATOM 1060 N SER A 134 0.296 8.059 1.212 1.00 0.00 N ATOM 1061 CA SER A 134 0.685 9.182 2.056 1.00 0.00 C ATOM 1062 C SER A 134 2.042 8.925 2.711 1.00 0.00 C ATOM 1063 O SER A 134 2.373 9.524 3.734 1.00 0.00 O ATOM 1064 CB SER A 134 -0.378 9.434 3.125 1.00 0.00 C ATOM 1065 OG SER A 134 0.069 10.385 4.077 1.00 0.00 O ATOM 0 H SER A 134 -0.254 7.345 1.690 1.00 0.00 H new ATOM 0 HA SER A 134 0.770 10.068 1.427 1.00 0.00 H new ATOM 0 HB2 SER A 134 -1.294 9.790 2.654 1.00 0.00 H new ATOM 0 HB3 SER A 134 -0.621 8.498 3.628 1.00 0.00 H new ATOM 0 HG SER A 134 0.858 10.036 4.542 1.00 0.00 H new ATOM 1071 N PHE A 135 2.823 8.031 2.109 1.00 0.00 N ATOM 1072 CA PHE A 135 4.144 7.691 2.620 1.00 0.00 C ATOM 1073 C PHE A 135 5.208 8.579 1.980 1.00 0.00 C ATOM 1074 O PHE A 135 5.445 8.507 0.778 1.00 0.00 O ATOM 1075 CB PHE A 135 4.445 6.213 2.352 1.00 0.00 C ATOM 1076 CG PHE A 135 5.828 5.781 2.761 1.00 0.00 C ATOM 1077 CD1 PHE A 135 6.518 6.453 3.759 1.00 0.00 C ATOM 1078 CD2 PHE A 135 6.435 4.696 2.146 1.00 0.00 C ATOM 1079 CE1 PHE A 135 7.786 6.052 4.134 1.00 0.00 C ATOM 1080 CE2 PHE A 135 7.702 4.292 2.519 1.00 0.00 C ATOM 1081 CZ PHE A 135 8.378 4.970 3.515 1.00 0.00 C ATOM 0 H PHE A 135 2.560 7.528 1.262 1.00 0.00 H new ATOM 0 HA PHE A 135 4.159 7.861 3.696 1.00 0.00 H new ATOM 0 HB2 PHE A 135 3.714 5.603 2.883 1.00 0.00 H new ATOM 0 HB3 PHE A 135 4.314 6.014 1.288 1.00 0.00 H new ATOM 0 HD1 PHE A 135 6.059 7.299 4.249 1.00 0.00 H new ATOM 0 HD2 PHE A 135 5.911 4.161 1.367 1.00 0.00 H new ATOM 0 HE1 PHE A 135 8.314 6.585 4.911 1.00 0.00 H new ATOM 0 HE2 PHE A 135 8.164 3.446 2.032 1.00 0.00 H new ATOM 0 HZ PHE A 135 9.368 4.654 3.809 1.00 0.00 H new ATOM 1091 N LYS A 136 5.828 9.431 2.794 1.00 0.00 N ATOM 1092 CA LYS A 136 6.859 10.363 2.325 1.00 0.00 C ATOM 1093 C LYS A 136 7.763 9.755 1.247 1.00 0.00 C ATOM 1094 O LYS A 136 8.260 10.469 0.376 1.00 0.00 O ATOM 1095 CB LYS A 136 7.712 10.834 3.503 1.00 0.00 C ATOM 1096 CG LYS A 136 6.958 11.719 4.484 1.00 0.00 C ATOM 1097 CD LYS A 136 6.946 11.122 5.883 1.00 0.00 C ATOM 1098 CE LYS A 136 8.271 11.345 6.594 1.00 0.00 C ATOM 1099 NZ LYS A 136 8.492 10.351 7.681 1.00 0.00 N1+ ATOM 0 H LYS A 136 5.633 9.497 3.793 1.00 0.00 H new ATOM 0 HA LYS A 136 6.340 11.208 1.873 1.00 0.00 H new ATOM 0 HB2 LYS A 136 8.097 9.963 4.034 1.00 0.00 H new ATOM 0 HB3 LYS A 136 8.574 11.381 3.121 1.00 0.00 H new ATOM 0 HG2 LYS A 136 7.420 12.706 4.513 1.00 0.00 H new ATOM 0 HG3 LYS A 136 5.934 11.856 4.138 1.00 0.00 H new ATOM 0 HD2 LYS A 136 6.140 11.570 6.464 1.00 0.00 H new ATOM 0 HD3 LYS A 136 6.740 10.053 5.822 1.00 0.00 H new ATOM 0 HE2 LYS A 136 9.085 11.281 5.872 1.00 0.00 H new ATOM 0 HE3 LYS A 136 8.294 12.351 7.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 9.406 10.537 8.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 7.729 10.429 8.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 8.496 9.392 7.279 1.00 0.00 H new ATOM 1113 N LYS A 137 7.980 8.444 1.306 1.00 0.00 N ATOM 1114 CA LYS A 137 8.831 7.771 0.329 1.00 0.00 C ATOM 1115 C LYS A 137 8.062 7.475 -0.954 1.00 0.00 C ATOM 1116 O LYS A 137 8.635 7.451 -2.043 1.00 0.00 O ATOM 1117 CB LYS A 137 9.388 6.472 0.913 1.00 0.00 C ATOM 1118 CG LYS A 137 10.744 6.083 0.349 1.00 0.00 C ATOM 1119 CD LYS A 137 11.306 4.848 1.040 1.00 0.00 C ATOM 1120 CE LYS A 137 12.634 5.144 1.719 1.00 0.00 C ATOM 1121 NZ LYS A 137 13.791 4.722 0.883 1.00 0.00 N1+ ATOM 0 H LYS A 137 7.581 7.829 2.016 1.00 0.00 H new ATOM 0 HA LYS A 137 9.659 8.438 0.089 1.00 0.00 H new ATOM 0 HB2 LYS A 137 9.470 6.576 1.995 1.00 0.00 H new ATOM 0 HB3 LYS A 137 8.680 5.665 0.723 1.00 0.00 H new ATOM 0 HG2 LYS A 137 10.653 5.892 -0.720 1.00 0.00 H new ATOM 0 HG3 LYS A 137 11.439 6.914 0.466 1.00 0.00 H new ATOM 0 HD2 LYS A 137 10.591 4.487 1.779 1.00 0.00 H new ATOM 0 HD3 LYS A 137 11.440 4.050 0.309 1.00 0.00 H new ATOM 0 HE2 LYS A 137 12.706 6.212 1.926 1.00 0.00 H new ATOM 0 HE3 LYS A 137 12.673 4.630 2.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 14.677 4.941 1.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 13.737 3.699 0.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 13.768 5.231 -0.023 1.00 0.00 H new ATOM 1135 N VAL A 138 6.761 7.254 -0.815 1.00 0.00 N ATOM 1136 CA VAL A 138 5.905 6.961 -1.955 1.00 0.00 C ATOM 1137 C VAL A 138 5.438 8.251 -2.633 1.00 0.00 C ATOM 1138 O VAL A 138 5.394 8.341 -3.859 1.00 0.00 O ATOM 1139 CB VAL A 138 4.680 6.119 -1.522 1.00 0.00 C ATOM 1140 CG1 VAL A 138 3.574 6.160 -2.568 1.00 0.00 C ATOM 1141 CG2 VAL A 138 5.096 4.683 -1.237 1.00 0.00 C ATOM 0 H VAL A 138 6.275 7.273 0.081 1.00 0.00 H new ATOM 0 HA VAL A 138 6.491 6.384 -2.670 1.00 0.00 H new ATOM 0 HB VAL A 138 4.283 6.557 -0.606 1.00 0.00 H new ATOM 0 HG11 VAL A 138 2.731 5.558 -2.230 1.00 0.00 H new ATOM 0 HG12 VAL A 138 3.249 7.190 -2.714 1.00 0.00 H new ATOM 0 HG13 VAL A 138 3.950 5.761 -3.510 1.00 0.00 H new ATOM 0 HG21 VAL A 138 4.223 4.105 -0.934 1.00 0.00 H new ATOM 0 HG22 VAL A 138 5.528 4.244 -2.136 1.00 0.00 H new ATOM 0 HG23 VAL A 138 5.835 4.671 -0.436 1.00 0.00 H new ATOM 1151 N LYS A 139 5.082 9.239 -1.821 1.00 0.00 N ATOM 1152 CA LYS A 139 4.609 10.527 -2.328 1.00 0.00 C ATOM 1153 C LYS A 139 5.543 11.092 -3.394 1.00 0.00 C ATOM 1154 O LYS A 139 5.110 11.819 -4.288 1.00 0.00 O ATOM 1155 CB LYS A 139 4.487 11.534 -1.185 1.00 0.00 C ATOM 1156 CG LYS A 139 3.663 11.038 -0.006 1.00 0.00 C ATOM 1157 CD LYS A 139 3.618 12.068 1.110 1.00 0.00 C ATOM 1158 CE LYS A 139 2.243 12.132 1.756 1.00 0.00 C ATOM 1159 NZ LYS A 139 1.933 13.494 2.269 1.00 0.00 N1+ ATOM 0 H LYS A 139 5.111 9.175 -0.803 1.00 0.00 H new ATOM 0 HA LYS A 139 3.632 10.357 -2.780 1.00 0.00 H new ATOM 0 HB2 LYS A 139 5.486 11.791 -0.834 1.00 0.00 H new ATOM 0 HB3 LYS A 139 4.038 12.450 -1.569 1.00 0.00 H new ATOM 0 HG2 LYS A 139 2.649 10.814 -0.337 1.00 0.00 H new ATOM 0 HG3 LYS A 139 4.088 10.108 0.372 1.00 0.00 H new ATOM 0 HD2 LYS A 139 4.364 11.821 1.865 1.00 0.00 H new ATOM 0 HD3 LYS A 139 3.880 13.048 0.712 1.00 0.00 H new ATOM 0 HE2 LYS A 139 1.486 11.837 1.029 1.00 0.00 H new ATOM 0 HE3 LYS A 139 2.194 11.415 2.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 0.987 13.495 2.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 2.640 13.766 2.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 1.955 14.174 1.483 1.00 0.00 H new ATOM 1173 N HIS A 140 6.825 10.758 -3.293 1.00 0.00 N ATOM 1174 CA HIS A 140 7.817 11.240 -4.248 1.00 0.00 C ATOM 1175 C HIS A 140 7.642 10.588 -5.619 1.00 0.00 C ATOM 1176 O HIS A 140 8.362 10.911 -6.562 1.00 0.00 O ATOM 1177 CB HIS A 140 9.228 10.973 -3.723 1.00 0.00 C ATOM 1178 CG HIS A 140 10.231 11.998 -4.154 1.00 0.00 C ATOM 1179 ND1 HIS A 140 10.270 13.277 -3.638 1.00 0.00 N ATOM 1180 CD2 HIS A 140 11.238 11.928 -5.056 1.00 0.00 C ATOM 1181 CE1 HIS A 140 11.255 13.949 -4.206 1.00 0.00 C ATOM 1182 NE2 HIS A 140 11.858 13.154 -5.070 1.00 0.00 N ATOM 0 H HIS A 140 7.202 10.156 -2.561 1.00 0.00 H new ATOM 0 HA HIS A 140 7.669 12.314 -4.364 1.00 0.00 H new ATOM 0 HB2 HIS A 140 9.201 10.938 -2.634 1.00 0.00 H new ATOM 0 HB3 HIS A 140 9.554 9.991 -4.065 1.00 0.00 H new ATOM 0 HD2 HIS A 140 11.504 11.069 -5.653 1.00 0.00 H new ATOM 0 HE1 HIS A 140 11.522 14.975 -3.999 1.00 0.00 H new ATOM 0 HE2 HIS A 140 12.655 13.409 -5.653 1.00 0.00 H new ATOM 1191 N LEU A 141 6.687 9.666 -5.725 1.00 0.00 N ATOM 1192 CA LEU A 141 6.437 8.974 -6.985 1.00 0.00 C ATOM 1193 C LEU A 141 5.513 9.781 -7.894 1.00 0.00 C ATOM 1194 O LEU A 141 5.959 10.374 -8.877 1.00 0.00 O ATOM 1195 CB LEU A 141 5.834 7.596 -6.720 1.00 0.00 C ATOM 1196 CG LEU A 141 6.642 6.710 -5.773 1.00 0.00 C ATOM 1197 CD1 LEU A 141 5.774 5.586 -5.235 1.00 0.00 C ATOM 1198 CD2 LEU A 141 7.866 6.153 -6.481 1.00 0.00 C ATOM 0 H LEU A 141 6.078 9.383 -4.958 1.00 0.00 H new ATOM 0 HA LEU A 141 7.393 8.858 -7.495 1.00 0.00 H new ATOM 0 HB2 LEU A 141 4.834 7.727 -6.307 1.00 0.00 H new ATOM 0 HB3 LEU A 141 5.720 7.076 -7.671 1.00 0.00 H new ATOM 0 HG LEU A 141 6.981 7.315 -4.932 1.00 0.00 H new ATOM 0 HD11 LEU A 141 6.362 4.962 -4.562 1.00 0.00 H new ATOM 0 HD12 LEU A 141 4.928 6.008 -4.693 1.00 0.00 H new ATOM 0 HD13 LEU A 141 5.408 4.980 -6.064 1.00 0.00 H new ATOM 0 HD21 LEU A 141 8.430 5.524 -5.792 1.00 0.00 H new ATOM 0 HD22 LEU A 141 7.551 5.559 -7.339 1.00 0.00 H new ATOM 0 HD23 LEU A 141 8.496 6.975 -6.820 1.00 0.00 H new ATOM 1210 N THR A 142 4.223 9.795 -7.568 1.00 0.00 N ATOM 1211 CA THR A 142 3.244 10.526 -8.367 1.00 0.00 C ATOM 1212 C THR A 142 2.115 11.065 -7.494 1.00 0.00 C ATOM 1213 O THR A 142 1.861 10.553 -6.404 1.00 0.00 O ATOM 1214 CB THR A 142 2.672 9.621 -9.462 1.00 0.00 C ATOM 1215 OG1 THR A 142 3.537 8.528 -9.712 1.00 0.00 O ATOM 1216 CG2 THR A 142 2.450 10.340 -10.775 1.00 0.00 C ATOM 0 H THR A 142 3.833 9.311 -6.760 1.00 0.00 H new ATOM 0 HA THR A 142 3.752 11.372 -8.830 1.00 0.00 H new ATOM 0 HB THR A 142 1.708 9.282 -9.083 1.00 0.00 H new ATOM 0 HG1 THR A 142 3.038 7.810 -10.155 1.00 0.00 H new ATOM 0 HG21 THR A 142 2.044 9.643 -11.508 1.00 0.00 H new ATOM 0 HG22 THR A 142 1.748 11.160 -10.626 1.00 0.00 H new ATOM 0 HG23 THR A 142 3.399 10.736 -11.138 1.00 0.00 H new ATOM 1224 N ARG A 143 1.442 12.102 -7.982 1.00 0.00 N ATOM 1225 CA ARG A 143 0.340 12.713 -7.249 1.00 0.00 C ATOM 1226 C ARG A 143 -0.899 11.825 -7.290 1.00 0.00 C ATOM 1227 O ARG A 143 -1.704 11.822 -6.359 1.00 0.00 O ATOM 1228 CB ARG A 143 0.014 14.090 -7.832 1.00 0.00 C ATOM 1229 CG ARG A 143 -0.143 14.088 -9.344 1.00 0.00 C ATOM 1230 CD ARG A 143 -0.964 15.275 -9.820 1.00 0.00 C ATOM 1231 NE ARG A 143 -0.583 15.699 -11.165 1.00 0.00 N ATOM 1232 CZ ARG A 143 -1.134 16.731 -11.801 1.00 0.00 C ATOM 1233 NH1 ARG A 143 -2.089 17.446 -11.218 1.00 0.00 N1+ ATOM 1234 NH2 ARG A 143 -0.730 17.050 -13.023 1.00 0.00 N ATOM 0 H ARG A 143 1.641 12.537 -8.883 1.00 0.00 H new ATOM 0 HA ARG A 143 0.648 12.829 -6.210 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -0.907 14.458 -7.380 1.00 0.00 H new ATOM 0 HB3 ARG A 143 0.805 14.788 -7.558 1.00 0.00 H new ATOM 0 HG2 ARG A 143 0.841 14.113 -9.813 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -0.623 13.162 -9.660 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -2.022 15.012 -9.809 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -0.835 16.107 -9.127 1.00 0.00 H new ATOM 0 HE ARG A 143 0.148 15.174 -11.645 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -2.404 17.206 -10.278 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -2.507 18.235 -11.710 1.00 0.00 H new ATOM 0 HH21 ARG A 143 0.003 16.505 -13.476 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -1.152 17.841 -13.510 1.00 0.00 H new ATOM 1248 N ASP A 144 -1.046 11.071 -8.375 1.00 0.00 N ATOM 1249 CA ASP A 144 -2.187 10.177 -8.538 1.00 0.00 C ATOM 1250 C ASP A 144 -2.113 9.019 -7.548 1.00 0.00 C ATOM 1251 O ASP A 144 -1.850 7.878 -7.930 1.00 0.00 O ATOM 1252 CB ASP A 144 -2.242 9.641 -9.970 1.00 0.00 C ATOM 1253 CG ASP A 144 -2.666 10.700 -10.968 1.00 0.00 C ATOM 1254 OD1 ASP A 144 -3.854 11.084 -10.959 1.00 0.00 O1- ATOM 1255 OD2 ASP A 144 -1.809 11.147 -11.760 1.00 0.00 O ATOM 0 H ASP A 144 -0.389 11.061 -9.155 1.00 0.00 H new ATOM 0 HA ASP A 144 -3.096 10.745 -8.338 1.00 0.00 H new ATOM 0 HB2 ASP A 144 -1.261 9.255 -10.248 1.00 0.00 H new ATOM 0 HB3 ASP A 144 -2.938 8.804 -10.015 1.00 0.00 H new ATOM 1260 N TRP A 145 -2.346 9.320 -6.275 1.00 0.00 N ATOM 1261 CA TRP A 145 -2.305 8.308 -5.230 1.00 0.00 C ATOM 1262 C TRP A 145 -3.300 7.190 -5.518 1.00 0.00 C ATOM 1263 O TRP A 145 -3.078 6.037 -5.150 1.00 0.00 O ATOM 1264 CB TRP A 145 -2.576 8.950 -3.870 1.00 0.00 C ATOM 1265 CG TRP A 145 -1.353 9.591 -3.288 1.00 0.00 C ATOM 1266 CD1 TRP A 145 -0.055 9.260 -3.555 1.00 0.00 C ATOM 1267 CD2 TRP A 145 -1.307 10.673 -2.352 1.00 0.00 C ATOM 1268 NE1 TRP A 145 0.796 10.069 -2.846 1.00 0.00 N ATOM 1269 CE2 TRP A 145 0.051 10.947 -2.098 1.00 0.00 C ATOM 1270 CE3 TRP A 145 -2.281 11.438 -1.703 1.00 0.00 C ATOM 1271 CZ2 TRP A 145 0.457 11.954 -1.225 1.00 0.00 C ATOM 1272 CZ3 TRP A 145 -1.876 12.436 -0.837 1.00 0.00 C ATOM 1273 CH2 TRP A 145 -0.518 12.688 -0.606 1.00 0.00 C ATOM 0 H TRP A 145 -2.566 10.259 -5.943 1.00 0.00 H new ATOM 0 HA TRP A 145 -1.309 7.865 -5.210 1.00 0.00 H new ATOM 0 HB2 TRP A 145 -3.361 9.699 -3.975 1.00 0.00 H new ATOM 0 HB3 TRP A 145 -2.949 8.192 -3.181 1.00 0.00 H new ATOM 0 HD1 TRP A 145 0.256 8.474 -4.228 1.00 0.00 H new ATOM 0 HE1 TRP A 145 1.815 10.026 -2.870 1.00 0.00 H new ATOM 0 HE3 TRP A 145 -3.331 11.252 -1.875 1.00 0.00 H new ATOM 0 HZ2 TRP A 145 1.504 12.148 -1.043 1.00 0.00 H new ATOM 0 HZ3 TRP A 145 -2.620 13.032 -0.329 1.00 0.00 H new ATOM 0 HH2 TRP A 145 -0.235 13.477 0.074 1.00 0.00 H new ATOM 1284 N ARG A 146 -4.388 7.531 -6.196 1.00 0.00 N ATOM 1285 CA ARG A 146 -5.392 6.553 -6.553 1.00 0.00 C ATOM 1286 C ARG A 146 -4.814 5.532 -7.519 1.00 0.00 C ATOM 1287 O ARG A 146 -4.712 4.347 -7.199 1.00 0.00 O ATOM 1288 CB ARG A 146 -6.587 7.250 -7.189 1.00 0.00 C ATOM 1289 CG ARG A 146 -7.685 7.543 -6.199 1.00 0.00 C ATOM 1290 CD ARG A 146 -7.279 8.629 -5.215 1.00 0.00 C ATOM 1291 NE ARG A 146 -6.843 8.074 -3.936 1.00 0.00 N ATOM 1292 CZ ARG A 146 -6.143 8.755 -3.032 1.00 0.00 C ATOM 1293 NH1 ARG A 146 -5.798 10.016 -3.262 1.00 0.00 N1+ ATOM 1294 NH2 ARG A 146 -5.787 8.174 -1.894 1.00 0.00 N ATOM 0 H ARG A 146 -4.593 8.480 -6.508 1.00 0.00 H new ATOM 0 HA ARG A 146 -5.716 6.036 -5.650 1.00 0.00 H new ATOM 0 HB2 ARG A 146 -6.257 8.183 -7.646 1.00 0.00 H new ATOM 0 HB3 ARG A 146 -6.983 6.625 -7.990 1.00 0.00 H new ATOM 0 HG2 ARG A 146 -8.583 7.853 -6.733 1.00 0.00 H new ATOM 0 HG3 ARG A 146 -7.936 6.633 -5.654 1.00 0.00 H new ATOM 0 HD2 ARG A 146 -6.474 9.225 -5.645 1.00 0.00 H new ATOM 0 HD3 ARG A 146 -8.121 9.302 -5.050 1.00 0.00 H new ATOM 0 HE ARG A 146 -7.090 7.107 -3.723 1.00 0.00 H new ATOM 0 HH11 ARG A 146 -6.069 10.468 -4.135 1.00 0.00 H new ATOM 0 HH12 ARG A 146 -5.261 10.533 -2.565 1.00 0.00 H new ATOM 0 HH21 ARG A 146 -6.050 7.205 -1.712 1.00 0.00 H new ATOM 0 HH22 ARG A 146 -5.250 8.696 -1.201 1.00 0.00 H new ATOM 1308 N THR A 147 -4.413 6.007 -8.696 1.00 0.00 N ATOM 1309 CA THR A 147 -3.827 5.149 -9.709 1.00 0.00 C ATOM 1310 C THR A 147 -2.613 4.437 -9.142 1.00 0.00 C ATOM 1311 O THR A 147 -2.203 3.389 -9.641 1.00 0.00 O ATOM 1312 CB THR A 147 -3.482 5.961 -10.959 1.00 0.00 C ATOM 1313 OG1 THR A 147 -4.634 6.145 -11.762 1.00 0.00 O ATOM 1314 CG2 THR A 147 -2.429 5.309 -11.820 1.00 0.00 C ATOM 0 H THR A 147 -4.486 6.987 -8.967 1.00 0.00 H new ATOM 0 HA THR A 147 -4.550 4.390 -10.005 1.00 0.00 H new ATOM 0 HB THR A 147 -3.093 6.911 -10.593 1.00 0.00 H new ATOM 0 HG1 THR A 147 -4.399 6.667 -12.557 1.00 0.00 H new ATOM 0 HG21 THR A 147 -2.231 5.936 -12.689 1.00 0.00 H new ATOM 0 HG22 THR A 147 -1.512 5.187 -11.244 1.00 0.00 H new ATOM 0 HG23 THR A 147 -2.782 4.332 -12.150 1.00 0.00 H new ATOM 1322 N THR A 148 -2.062 4.996 -8.074 1.00 0.00 N ATOM 1323 CA THR A 148 -0.924 4.393 -7.425 1.00 0.00 C ATOM 1324 C THR A 148 -1.350 3.067 -6.784 1.00 0.00 C ATOM 1325 O THR A 148 -0.558 2.126 -6.676 1.00 0.00 O ATOM 1326 CB THR A 148 -0.340 5.358 -6.382 1.00 0.00 C ATOM 1327 OG1 THR A 148 0.602 6.229 -6.984 1.00 0.00 O ATOM 1328 CG2 THR A 148 0.353 4.676 -5.219 1.00 0.00 C ATOM 0 H THR A 148 -2.388 5.862 -7.646 1.00 0.00 H new ATOM 0 HA THR A 148 -0.145 4.187 -8.159 1.00 0.00 H new ATOM 0 HB THR A 148 -1.203 5.897 -5.991 1.00 0.00 H new ATOM 0 HG1 THR A 148 0.131 6.969 -7.420 1.00 0.00 H new ATOM 0 HG21 THR A 148 0.736 5.430 -4.531 1.00 0.00 H new ATOM 0 HG22 THR A 148 -0.358 4.035 -4.697 1.00 0.00 H new ATOM 0 HG23 THR A 148 1.180 4.072 -5.592 1.00 0.00 H new ATOM 1336 N ALA A 149 -2.617 3.002 -6.372 1.00 0.00 N ATOM 1337 CA ALA A 149 -3.164 1.801 -5.752 1.00 0.00 C ATOM 1338 C ALA A 149 -3.329 0.680 -6.777 1.00 0.00 C ATOM 1339 O ALA A 149 -2.860 -0.437 -6.559 1.00 0.00 O ATOM 1340 CB ALA A 149 -4.492 2.109 -5.076 1.00 0.00 C ATOM 0 H ALA A 149 -3.282 3.770 -6.458 1.00 0.00 H new ATOM 0 HA ALA A 149 -2.459 1.461 -4.993 1.00 0.00 H new ATOM 0 HB1 ALA A 149 -4.886 1.202 -4.618 1.00 0.00 H new ATOM 0 HB2 ALA A 149 -4.342 2.867 -4.308 1.00 0.00 H new ATOM 0 HB3 ALA A 149 -5.200 2.479 -5.817 1.00 0.00 H new ATOM 1346 N HIS A 150 -3.983 0.983 -7.903 1.00 0.00 N ATOM 1347 CA HIS A 150 -4.182 -0.011 -8.961 1.00 0.00 C ATOM 1348 C HIS A 150 -2.876 -0.729 -9.246 1.00 0.00 C ATOM 1349 O HIS A 150 -2.841 -1.937 -9.477 1.00 0.00 O ATOM 1350 CB HIS A 150 -4.672 0.654 -10.249 1.00 0.00 C ATOM 1351 CG HIS A 150 -5.883 0.000 -10.841 1.00 0.00 C ATOM 1352 ND1 HIS A 150 -6.950 -0.589 -10.253 1.00 0.00 N flip ATOM 1353 CD2 HIS A 150 -6.093 -0.102 -12.200 1.00 0.00 C flip ATOM 1354 CE1 HIS A 150 -7.777 -1.030 -11.255 1.00 0.00 C flip ATOM 1355 NE2 HIS A 150 -7.238 -0.724 -12.421 1.00 0.00 N flip ATOM 0 H HIS A 150 -4.380 1.901 -8.104 1.00 0.00 H new ATOM 0 HA HIS A 150 -4.934 -0.722 -8.619 1.00 0.00 H new ATOM 0 HB2 HIS A 150 -4.899 1.700 -10.044 1.00 0.00 H new ATOM 0 HB3 HIS A 150 -3.867 0.640 -10.984 1.00 0.00 H new ATOM 0 HD2 HIS A 150 -5.426 0.268 -12.964 1.00 0.00 H new ATOM 0 HE1 HIS A 150 -8.716 -1.544 -11.113 1.00 0.00 H new ATOM 0 HE2 HIS A 150 -7.637 -0.932 -13.336 1.00 0.00 H new ATOM 1364 N ALA A 151 -1.806 0.047 -9.225 1.00 0.00 N ATOM 1365 CA ALA A 151 -0.469 -0.474 -9.478 1.00 0.00 C ATOM 1366 C ALA A 151 -0.135 -1.614 -8.524 1.00 0.00 C ATOM 1367 O ALA A 151 0.261 -2.699 -8.949 1.00 0.00 O ATOM 1368 CB ALA A 151 0.560 0.638 -9.349 1.00 0.00 C ATOM 0 H ALA A 151 -1.836 1.048 -9.034 1.00 0.00 H new ATOM 0 HA ALA A 151 -0.444 -0.866 -10.495 1.00 0.00 H new ATOM 0 HB1 ALA A 151 1.555 0.237 -9.540 1.00 0.00 H new ATOM 0 HB2 ALA A 151 0.340 1.423 -10.073 1.00 0.00 H new ATOM 0 HB3 ALA A 151 0.523 1.053 -8.342 1.00 0.00 H new ATOM 1374 N LEU A 152 -0.297 -1.359 -7.231 1.00 0.00 N ATOM 1375 CA LEU A 152 -0.015 -2.358 -6.210 1.00 0.00 C ATOM 1376 C LEU A 152 -0.828 -3.617 -6.427 1.00 0.00 C ATOM 1377 O LEU A 152 -0.360 -4.722 -6.171 1.00 0.00 O ATOM 1378 CB LEU A 152 -0.299 -1.766 -4.839 1.00 0.00 C ATOM 1379 CG LEU A 152 0.929 -1.224 -4.120 1.00 0.00 C ATOM 1380 CD1 LEU A 152 1.949 -0.678 -5.117 1.00 0.00 C ATOM 1381 CD2 LEU A 152 0.526 -0.149 -3.125 1.00 0.00 C ATOM 0 H LEU A 152 -0.624 -0.465 -6.865 1.00 0.00 H new ATOM 0 HA LEU A 152 1.036 -2.638 -6.276 1.00 0.00 H new ATOM 0 HB2 LEU A 152 -1.026 -0.961 -4.948 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -0.762 -2.531 -4.215 1.00 0.00 H new ATOM 0 HG LEU A 152 1.396 -2.045 -3.576 1.00 0.00 H new ATOM 0 HD11 LEU A 152 2.816 -0.297 -4.578 1.00 0.00 H new ATOM 0 HD12 LEU A 152 2.262 -1.475 -5.791 1.00 0.00 H new ATOM 0 HD13 LEU A 152 1.498 0.129 -5.694 1.00 0.00 H new ATOM 0 HD21 LEU A 152 1.414 0.229 -2.618 1.00 0.00 H new ATOM 0 HD22 LEU A 152 0.033 0.668 -3.652 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -0.159 -0.572 -2.390 1.00 0.00 H new ATOM 1393 N LYS A 153 -2.038 -3.447 -6.913 1.00 0.00 N ATOM 1394 CA LYS A 153 -2.908 -4.585 -7.191 1.00 0.00 C ATOM 1395 C LYS A 153 -2.160 -5.626 -8.028 1.00 0.00 C ATOM 1396 O LYS A 153 -2.467 -6.817 -7.978 1.00 0.00 O ATOM 1397 CB LYS A 153 -4.172 -4.126 -7.922 1.00 0.00 C ATOM 1398 CG LYS A 153 -4.902 -2.996 -7.218 1.00 0.00 C ATOM 1399 CD LYS A 153 -6.308 -2.815 -7.765 1.00 0.00 C ATOM 1400 CE LYS A 153 -7.095 -1.799 -6.953 1.00 0.00 C ATOM 1401 NZ LYS A 153 -8.534 -1.774 -7.339 1.00 0.00 N1+ ATOM 0 H LYS A 153 -2.447 -2.537 -7.126 1.00 0.00 H new ATOM 0 HA LYS A 153 -3.202 -5.039 -6.245 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -3.904 -3.803 -8.928 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -4.848 -4.974 -8.029 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -4.950 -3.203 -6.149 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -4.342 -2.069 -7.338 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -6.256 -2.490 -8.804 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -6.829 -3.772 -7.756 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -7.008 -2.036 -5.893 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -6.664 -0.808 -7.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -9.036 -1.069 -6.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -8.619 -1.523 -8.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -8.953 -2.713 -7.179 1.00 0.00 H new ATOM 1415 N TYR A 154 -1.163 -5.161 -8.785 1.00 0.00 N ATOM 1416 CA TYR A 154 -0.350 -6.038 -9.622 1.00 0.00 C ATOM 1417 C TYR A 154 0.934 -6.452 -8.895 1.00 0.00 C ATOM 1418 O TYR A 154 1.849 -7.013 -9.498 1.00 0.00 O ATOM 1419 CB TYR A 154 0.001 -5.339 -10.937 1.00 0.00 C ATOM 1420 CG TYR A 154 -1.204 -5.003 -11.786 1.00 0.00 C ATOM 1421 CD1 TYR A 154 -1.821 -5.973 -12.564 1.00 0.00 C ATOM 1422 CD2 TYR A 154 -1.722 -3.714 -11.810 1.00 0.00 C ATOM 1423 CE1 TYR A 154 -2.923 -5.668 -13.342 1.00 0.00 C ATOM 1424 CE2 TYR A 154 -2.822 -3.402 -12.585 1.00 0.00 C ATOM 1425 CZ TYR A 154 -3.418 -4.381 -13.349 1.00 0.00 C ATOM 1426 OH TYR A 154 -4.514 -4.074 -14.122 1.00 0.00 O ATOM 0 H TYR A 154 -0.901 -4.176 -8.833 1.00 0.00 H new ATOM 0 HA TYR A 154 -0.931 -6.935 -9.836 1.00 0.00 H new ATOM 0 HB2 TYR A 154 0.546 -4.421 -10.716 1.00 0.00 H new ATOM 0 HB3 TYR A 154 0.672 -5.979 -11.511 1.00 0.00 H new ATOM 0 HD1 TYR A 154 -1.435 -6.981 -12.562 1.00 0.00 H new ATOM 0 HD2 TYR A 154 -1.257 -2.943 -11.213 1.00 0.00 H new ATOM 0 HE1 TYR A 154 -3.393 -6.434 -13.941 1.00 0.00 H new ATOM 0 HE2 TYR A 154 -3.213 -2.395 -12.592 1.00 0.00 H new ATOM 0 HH TYR A 154 -4.736 -3.126 -14.013 1.00 0.00 H new ATOM 1436 N SER A 155 0.984 -6.179 -7.593 1.00 0.00 N ATOM 1437 CA SER A 155 2.127 -6.521 -6.766 1.00 0.00 C ATOM 1438 C SER A 155 1.820 -7.778 -5.981 1.00 0.00 C ATOM 1439 O SER A 155 1.122 -7.737 -4.966 1.00 0.00 O ATOM 1440 CB SER A 155 2.451 -5.381 -5.805 1.00 0.00 C ATOM 1441 OG SER A 155 3.409 -5.786 -4.843 1.00 0.00 O ATOM 0 H SER A 155 0.230 -5.714 -7.086 1.00 0.00 H new ATOM 0 HA SER A 155 2.991 -6.690 -7.409 1.00 0.00 H new ATOM 0 HB2 SER A 155 2.831 -4.526 -6.364 1.00 0.00 H new ATOM 0 HB3 SER A 155 1.541 -5.054 -5.302 1.00 0.00 H new ATOM 0 HG SER A 155 3.317 -5.235 -4.038 1.00 0.00 H new ATOM 1447 N VAL A 156 2.317 -8.896 -6.467 1.00 0.00 N ATOM 1448 CA VAL A 156 2.071 -10.169 -5.826 1.00 0.00 C ATOM 1449 C VAL A 156 3.247 -10.608 -4.956 1.00 0.00 C ATOM 1450 O VAL A 156 3.240 -11.707 -4.401 1.00 0.00 O ATOM 1451 CB VAL A 156 1.749 -11.233 -6.884 1.00 0.00 C ATOM 1452 CG1 VAL A 156 2.979 -11.556 -7.719 1.00 0.00 C ATOM 1453 CG2 VAL A 156 1.179 -12.484 -6.236 1.00 0.00 C ATOM 0 H VAL A 156 2.895 -8.948 -7.306 1.00 0.00 H new ATOM 0 HA VAL A 156 1.213 -10.051 -5.164 1.00 0.00 H new ATOM 0 HB VAL A 156 0.989 -10.829 -7.553 1.00 0.00 H new ATOM 0 HG11 VAL A 156 2.726 -12.312 -8.462 1.00 0.00 H new ATOM 0 HG12 VAL A 156 3.324 -10.653 -8.223 1.00 0.00 H new ATOM 0 HG13 VAL A 156 3.770 -11.934 -7.071 1.00 0.00 H new ATOM 0 HG21 VAL A 156 0.958 -13.224 -7.005 1.00 0.00 H new ATOM 0 HG22 VAL A 156 1.906 -12.895 -5.535 1.00 0.00 H new ATOM 0 HG23 VAL A 156 0.263 -12.232 -5.702 1.00 0.00 H new ATOM 1463 N VAL A 157 4.243 -9.735 -4.816 1.00 0.00 N ATOM 1464 CA VAL A 157 5.402 -10.034 -3.987 1.00 0.00 C ATOM 1465 C VAL A 157 4.999 -10.012 -2.518 1.00 0.00 C ATOM 1466 O VAL A 157 5.387 -10.883 -1.738 1.00 0.00 O ATOM 1467 CB VAL A 157 6.546 -9.028 -4.219 1.00 0.00 C ATOM 1468 CG1 VAL A 157 7.762 -9.390 -3.377 1.00 0.00 C ATOM 1469 CG2 VAL A 157 6.907 -8.964 -5.695 1.00 0.00 C ATOM 0 H VAL A 157 4.268 -8.820 -5.265 1.00 0.00 H new ATOM 0 HA VAL A 157 5.763 -11.024 -4.264 1.00 0.00 H new ATOM 0 HB VAL A 157 6.204 -8.041 -3.908 1.00 0.00 H new ATOM 0 HG11 VAL A 157 8.557 -8.667 -3.557 1.00 0.00 H new ATOM 0 HG12 VAL A 157 7.491 -9.376 -2.321 1.00 0.00 H new ATOM 0 HG13 VAL A 157 8.110 -10.386 -3.649 1.00 0.00 H new ATOM 0 HG21 VAL A 157 7.717 -8.249 -5.841 1.00 0.00 H new ATOM 0 HG22 VAL A 157 7.228 -9.949 -6.034 1.00 0.00 H new ATOM 0 HG23 VAL A 157 6.036 -8.648 -6.269 1.00 0.00 H new ATOM 1479 N LEU A 158 4.196 -9.015 -2.158 1.00 0.00 N ATOM 1480 CA LEU A 158 3.705 -8.871 -0.796 1.00 0.00 C ATOM 1481 C LEU A 158 2.253 -9.336 -0.751 1.00 0.00 C ATOM 1482 O LEU A 158 1.637 -9.540 -1.797 1.00 0.00 O ATOM 1483 CB LEU A 158 3.789 -7.405 -0.331 1.00 0.00 C ATOM 1484 CG LEU A 158 5.181 -6.745 -0.355 1.00 0.00 C ATOM 1485 CD1 LEU A 158 5.973 -7.086 0.898 1.00 0.00 C ATOM 1486 CD2 LEU A 158 5.962 -7.135 -1.601 1.00 0.00 C ATOM 0 H LEU A 158 3.871 -8.291 -2.798 1.00 0.00 H new ATOM 0 HA LEU A 158 4.322 -9.474 -0.130 1.00 0.00 H new ATOM 0 HB2 LEU A 158 3.122 -6.812 -0.956 1.00 0.00 H new ATOM 0 HB3 LEU A 158 3.405 -7.350 0.688 1.00 0.00 H new ATOM 0 HG LEU A 158 5.026 -5.666 -0.379 1.00 0.00 H new ATOM 0 HD11 LEU A 158 6.951 -6.606 0.852 1.00 0.00 H new ATOM 0 HD12 LEU A 158 5.435 -6.730 1.777 1.00 0.00 H new ATOM 0 HD13 LEU A 158 6.102 -8.166 0.964 1.00 0.00 H new ATOM 0 HD21 LEU A 158 6.939 -6.651 -1.584 1.00 0.00 H new ATOM 0 HD22 LEU A 158 6.093 -8.217 -1.624 1.00 0.00 H new ATOM 0 HD23 LEU A 158 5.414 -6.817 -2.488 1.00 0.00 H new ATOM 1498 N GLU A 159 1.695 -9.490 0.443 1.00 0.00 N ATOM 1499 CA GLU A 159 0.307 -9.913 0.561 1.00 0.00 C ATOM 1500 C GLU A 159 -0.582 -8.692 0.773 1.00 0.00 C ATOM 1501 O GLU A 159 -0.532 -8.050 1.812 1.00 0.00 O ATOM 1502 CB GLU A 159 0.147 -10.922 1.707 1.00 0.00 C ATOM 1503 CG GLU A 159 -1.262 -11.000 2.277 1.00 0.00 C ATOM 1504 CD GLU A 159 -2.287 -11.422 1.241 1.00 0.00 C ATOM 1505 OE1 GLU A 159 -1.952 -12.268 0.386 1.00 0.00 O1- ATOM 1506 OE2 GLU A 159 -3.423 -10.906 1.286 1.00 0.00 O ATOM 0 H GLU A 159 2.173 -9.331 1.330 1.00 0.00 H new ATOM 0 HA GLU A 159 0.002 -10.410 -0.360 1.00 0.00 H new ATOM 0 HB2 GLU A 159 0.438 -11.910 1.350 1.00 0.00 H new ATOM 0 HB3 GLU A 159 0.837 -10.657 2.508 1.00 0.00 H new ATOM 0 HG2 GLU A 159 -1.276 -11.708 3.106 1.00 0.00 H new ATOM 0 HG3 GLU A 159 -1.540 -10.027 2.683 1.00 0.00 H new ATOM 1513 N LEU A 160 -1.381 -8.375 -0.235 1.00 0.00 N ATOM 1514 CA LEU A 160 -2.274 -7.224 -0.192 1.00 0.00 C ATOM 1515 C LEU A 160 -3.660 -7.624 0.301 1.00 0.00 C ATOM 1516 O LEU A 160 -4.068 -8.771 0.116 1.00 0.00 O ATOM 1517 CB LEU A 160 -2.420 -6.662 -1.609 1.00 0.00 C ATOM 1518 CG LEU A 160 -1.324 -5.722 -2.103 1.00 0.00 C ATOM 1519 CD1 LEU A 160 -1.867 -4.312 -2.306 1.00 0.00 C ATOM 1520 CD2 LEU A 160 -0.134 -5.743 -1.160 1.00 0.00 C ATOM 0 H LEU A 160 -1.430 -8.906 -1.104 1.00 0.00 H new ATOM 0 HA LEU A 160 -1.852 -6.485 0.489 1.00 0.00 H new ATOM 0 HB2 LEU A 160 -2.482 -7.502 -2.301 1.00 0.00 H new ATOM 0 HB3 LEU A 160 -3.371 -6.132 -1.666 1.00 0.00 H new ATOM 0 HG LEU A 160 -0.976 -6.075 -3.074 1.00 0.00 H new ATOM 0 HD11 LEU A 160 -1.067 -3.661 -2.658 1.00 0.00 H new ATOM 0 HD12 LEU A 160 -2.669 -4.334 -3.044 1.00 0.00 H new ATOM 0 HD13 LEU A 160 -2.254 -3.932 -1.361 1.00 0.00 H new ATOM 0 HD21 LEU A 160 0.636 -5.066 -1.531 1.00 0.00 H new ATOM 0 HD22 LEU A 160 -0.451 -5.423 -0.167 1.00 0.00 H new ATOM 0 HD23 LEU A 160 0.268 -6.754 -1.104 1.00 0.00 H new ATOM 1532 N ASN A 161 -4.423 -6.678 0.866 1.00 0.00 N ATOM 1533 CA ASN A 161 -5.784 -7.019 1.273 1.00 0.00 C ATOM 1534 C ASN A 161 -6.521 -7.309 -0.002 1.00 0.00 C ATOM 1535 O ASN A 161 -6.105 -6.777 -1.028 1.00 0.00 O ATOM 1536 CB ASN A 161 -6.486 -5.883 2.025 1.00 0.00 C ATOM 1537 CG ASN A 161 -7.987 -6.085 2.128 1.00 0.00 C ATOM 1538 OD1 ASN A 161 -8.740 -5.353 1.315 1.00 0.00 O flip ATOM 1539 ND2 ASN A 161 -8.464 -6.890 2.929 1.00 0.00 N flip ATOM 0 H ASN A 161 -4.136 -5.716 1.044 1.00 0.00 H new ATOM 0 HA ASN A 161 -5.765 -7.864 1.962 1.00 0.00 H new ATOM 0 HB2 ASN A 161 -6.065 -5.802 3.027 1.00 0.00 H new ATOM 0 HB3 ASN A 161 -6.285 -4.939 1.518 1.00 0.00 H new ATOM 0 HD21 ASN A 161 -7.848 -7.432 3.535 1.00 0.00 H new ATOM 0 HD22 ASN A 161 -9.475 -7.015 2.986 1.00 0.00 H new ATOM 1546 N GLU A 162 -7.583 -8.131 0.109 1.00 0.00 N ATOM 1547 CA GLU A 162 -8.421 -8.621 -1.006 1.00 0.00 C ATOM 1548 C GLU A 162 -8.659 -7.639 -2.144 1.00 0.00 C ATOM 1549 O GLU A 162 -8.418 -7.981 -3.301 1.00 0.00 O ATOM 1550 CB GLU A 162 -9.770 -9.086 -0.457 1.00 0.00 C ATOM 1551 CG GLU A 162 -10.598 -7.968 0.157 1.00 0.00 C ATOM 1552 CD GLU A 162 -11.676 -8.486 1.088 1.00 0.00 C ATOM 1553 OE1 GLU A 162 -11.328 -9.011 2.166 1.00 0.00 O ATOM 1554 OE2 GLU A 162 -12.869 -8.364 0.740 1.00 0.00 O1- ATOM 0 H GLU A 162 -7.894 -8.487 1.013 1.00 0.00 H new ATOM 0 HA GLU A 162 -7.849 -9.436 -1.449 1.00 0.00 H new ATOM 0 HB2 GLU A 162 -10.340 -9.548 -1.263 1.00 0.00 H new ATOM 0 HB3 GLU A 162 -9.600 -9.856 0.296 1.00 0.00 H new ATOM 0 HG2 GLU A 162 -9.941 -7.294 0.707 1.00 0.00 H new ATOM 0 HG3 GLU A 162 -11.060 -7.384 -0.639 1.00 0.00 H new ATOM 1561 N ASP A 163 -9.097 -6.433 -1.852 1.00 0.00 N ATOM 1562 CA ASP A 163 -9.306 -5.458 -2.913 1.00 0.00 C ATOM 1563 C ASP A 163 -7.977 -4.794 -3.183 1.00 0.00 C ATOM 1564 O ASP A 163 -7.903 -3.620 -3.547 1.00 0.00 O ATOM 1565 CB ASP A 163 -10.355 -4.421 -2.505 1.00 0.00 C ATOM 1566 CG ASP A 163 -11.772 -4.917 -2.718 1.00 0.00 C ATOM 1567 OD1 ASP A 163 -12.030 -5.545 -3.766 1.00 0.00 O1- ATOM 1568 OD2 ASP A 163 -12.624 -4.677 -1.837 1.00 0.00 O ATOM 0 H ASP A 163 -9.313 -6.104 -0.911 1.00 0.00 H new ATOM 0 HA ASP A 163 -9.678 -5.951 -3.811 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -10.217 -4.163 -1.455 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -10.202 -3.508 -3.080 1.00 0.00 H new ATOM 1573 N HIS A 164 -6.919 -5.563 -2.917 1.00 0.00 N ATOM 1574 CA HIS A 164 -5.559 -5.101 -3.025 1.00 0.00 C ATOM 1575 C HIS A 164 -5.466 -3.702 -2.480 1.00 0.00 C ATOM 1576 O HIS A 164 -4.671 -2.874 -2.925 1.00 0.00 O ATOM 1577 CB HIS A 164 -5.024 -5.237 -4.439 1.00 0.00 C ATOM 1578 CG HIS A 164 -4.920 -6.675 -4.837 1.00 0.00 C ATOM 1579 ND1 HIS A 164 -4.613 -7.098 -6.111 1.00 0.00 N ATOM 1580 CD2 HIS A 164 -5.088 -7.800 -4.093 1.00 0.00 C ATOM 1581 CE1 HIS A 164 -4.597 -8.420 -6.141 1.00 0.00 C ATOM 1582 NE2 HIS A 164 -4.881 -8.869 -4.930 1.00 0.00 N ATOM 0 H HIS A 164 -6.998 -6.535 -2.618 1.00 0.00 H new ATOM 0 HA HIS A 164 -4.911 -5.736 -2.421 1.00 0.00 H new ATOM 0 HB2 HIS A 164 -5.680 -4.711 -5.132 1.00 0.00 H new ATOM 0 HB3 HIS A 164 -4.044 -4.765 -4.508 1.00 0.00 H new ATOM 0 HD2 HIS A 164 -5.337 -7.845 -3.043 1.00 0.00 H new ATOM 0 HE1 HIS A 164 -4.388 -9.030 -7.008 1.00 0.00 H new ATOM 0 HE2 HIS A 164 -4.937 -9.851 -4.661 1.00 0.00 H new ATOM 1591 N ARG A 165 -6.300 -3.478 -1.472 1.00 0.00 N ATOM 1592 CA ARG A 165 -6.357 -2.226 -0.790 1.00 0.00 C ATOM 1593 C ARG A 165 -5.383 -2.244 0.357 1.00 0.00 C ATOM 1594 O ARG A 165 -5.076 -1.190 0.917 1.00 0.00 O ATOM 1595 CB ARG A 165 -7.773 -1.941 -0.282 1.00 0.00 C ATOM 1596 CG ARG A 165 -8.756 -1.571 -1.382 1.00 0.00 C ATOM 1597 CD ARG A 165 -8.218 -0.459 -2.267 1.00 0.00 C ATOM 1598 NE ARG A 165 -9.223 0.568 -2.531 1.00 0.00 N ATOM 1599 CZ ARG A 165 -9.074 1.537 -3.431 1.00 0.00 C ATOM 1600 NH1 ARG A 165 -7.964 1.616 -4.155 1.00 0.00 N1+ ATOM 1601 NH2 ARG A 165 -10.038 2.430 -3.610 1.00 0.00 N ATOM 0 H ARG A 165 -6.953 -4.175 -1.115 1.00 0.00 H new ATOM 0 HA ARG A 165 -6.088 -1.431 -1.486 1.00 0.00 H new ATOM 0 HB2 ARG A 165 -8.144 -2.821 0.244 1.00 0.00 H new ATOM 0 HB3 ARG A 165 -7.732 -1.129 0.444 1.00 0.00 H new ATOM 0 HG2 ARG A 165 -8.968 -2.450 -1.991 1.00 0.00 H new ATOM 0 HG3 ARG A 165 -9.700 -1.257 -0.936 1.00 0.00 H new ATOM 0 HD2 ARG A 165 -7.351 -0.003 -1.789 1.00 0.00 H new ATOM 0 HD3 ARG A 165 -7.875 -0.882 -3.212 1.00 0.00 H new ATOM 0 HE ARG A 165 -10.090 0.541 -1.994 1.00 0.00 H new ATOM 0 HH11 ARG A 165 -7.219 0.932 -4.023 1.00 0.00 H new ATOM 0 HH12 ARG A 165 -7.856 2.361 -4.843 1.00 0.00 H new ATOM 0 HH21 ARG A 165 -10.894 2.374 -3.058 1.00 0.00 H new ATOM 0 HH22 ARG A 165 -9.924 3.173 -4.300 1.00 0.00 H new ATOM 1615 N LYS A 166 -4.863 -3.431 0.719 1.00 0.00 N ATOM 1616 CA LYS A 166 -3.894 -3.434 1.826 1.00 0.00 C ATOM 1617 C LYS A 166 -2.614 -4.151 1.465 1.00 0.00 C ATOM 1618 O LYS A 166 -2.437 -4.597 0.336 1.00 0.00 O ATOM 1619 CB LYS A 166 -4.484 -4.026 3.105 1.00 0.00 C ATOM 1620 CG LYS A 166 -5.814 -3.406 3.510 1.00 0.00 C ATOM 1621 CD LYS A 166 -6.400 -4.087 4.737 1.00 0.00 C ATOM 1622 CE LYS A 166 -6.926 -3.074 5.740 1.00 0.00 C ATOM 1623 NZ LYS A 166 -7.473 -3.732 6.959 1.00 0.00 N1+ ATOM 0 H LYS A 166 -5.076 -4.335 0.298 1.00 0.00 H new ATOM 0 HA LYS A 166 -3.654 -2.388 2.014 1.00 0.00 H new ATOM 0 HB2 LYS A 166 -4.620 -5.099 2.969 1.00 0.00 H new ATOM 0 HB3 LYS A 166 -3.770 -3.896 3.918 1.00 0.00 H new ATOM 0 HG2 LYS A 166 -5.674 -2.345 3.715 1.00 0.00 H new ATOM 0 HG3 LYS A 166 -6.518 -3.480 2.681 1.00 0.00 H new ATOM 0 HD2 LYS A 166 -7.208 -4.753 4.434 1.00 0.00 H new ATOM 0 HD3 LYS A 166 -5.637 -4.706 5.210 1.00 0.00 H new ATOM 0 HE2 LYS A 166 -6.123 -2.394 6.024 1.00 0.00 H new ATOM 0 HE3 LYS A 166 -7.704 -2.471 5.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 -7.928 -3.019 7.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 -8.174 -4.449 6.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 -6.700 -4.189 7.484 1.00 0.00 H new ATOM 1637 N VAL A 167 -1.725 -4.251 2.440 1.00 0.00 N ATOM 1638 CA VAL A 167 -0.453 -4.915 2.251 1.00 0.00 C ATOM 1639 C VAL A 167 0.054 -5.469 3.569 1.00 0.00 C ATOM 1640 O VAL A 167 0.778 -4.814 4.315 1.00 0.00 O ATOM 1641 CB VAL A 167 0.589 -3.986 1.594 1.00 0.00 C ATOM 1642 CG1 VAL A 167 0.618 -2.622 2.270 1.00 0.00 C ATOM 1643 CG2 VAL A 167 1.974 -4.618 1.596 1.00 0.00 C ATOM 0 H VAL A 167 -1.867 -3.876 3.378 1.00 0.00 H new ATOM 0 HA VAL A 167 -0.609 -5.747 1.565 1.00 0.00 H new ATOM 0 HB VAL A 167 0.287 -3.841 0.557 1.00 0.00 H new ATOM 0 HG11 VAL A 167 1.362 -1.991 1.784 1.00 0.00 H new ATOM 0 HG12 VAL A 167 -0.363 -2.155 2.188 1.00 0.00 H new ATOM 0 HG13 VAL A 167 0.876 -2.743 3.322 1.00 0.00 H new ATOM 0 HG21 VAL A 167 2.685 -3.938 1.126 1.00 0.00 H new ATOM 0 HG22 VAL A 167 2.283 -4.814 2.623 1.00 0.00 H new ATOM 0 HG23 VAL A 167 1.947 -5.555 1.040 1.00 0.00 H new ATOM 1653 N ARG A 168 -0.352 -6.696 3.833 1.00 0.00 N ATOM 1654 CA ARG A 168 0.032 -7.398 5.051 1.00 0.00 C ATOM 1655 C ARG A 168 1.110 -8.433 4.747 1.00 0.00 C ATOM 1656 O ARG A 168 1.194 -8.941 3.632 1.00 0.00 O ATOM 1657 CB ARG A 168 -1.189 -8.083 5.670 1.00 0.00 C ATOM 1658 CG ARG A 168 -0.944 -8.631 7.068 1.00 0.00 C ATOM 1659 CD ARG A 168 -1.816 -9.844 7.354 1.00 0.00 C ATOM 1660 NE ARG A 168 -1.019 -11.039 7.621 1.00 0.00 N ATOM 1661 CZ ARG A 168 -1.541 -12.230 7.906 1.00 0.00 C ATOM 1662 NH1 ARG A 168 -2.858 -12.389 7.962 1.00 0.00 N1+ ATOM 1663 NH2 ARG A 168 -0.744 -13.264 8.136 1.00 0.00 N ATOM 0 H ARG A 168 -0.956 -7.236 3.214 1.00 0.00 H new ATOM 0 HA ARG A 168 0.431 -6.673 5.761 1.00 0.00 H new ATOM 0 HB2 ARG A 168 -2.013 -7.370 5.709 1.00 0.00 H new ATOM 0 HB3 ARG A 168 -1.504 -8.899 5.020 1.00 0.00 H new ATOM 0 HG2 ARG A 168 0.106 -8.904 7.174 1.00 0.00 H new ATOM 0 HG3 ARG A 168 -1.147 -7.854 7.805 1.00 0.00 H new ATOM 0 HD2 ARG A 168 -2.457 -9.636 8.211 1.00 0.00 H new ATOM 0 HD3 ARG A 168 -2.472 -10.028 6.503 1.00 0.00 H new ATOM 0 HE ARG A 168 -0.003 -10.956 7.587 1.00 0.00 H new ATOM 0 HH11 ARG A 168 -3.475 -11.596 7.786 1.00 0.00 H new ATOM 0 HH12 ARG A 168 -3.252 -13.304 8.181 1.00 0.00 H new ATOM 0 HH21 ARG A 168 0.268 -13.147 8.095 1.00 0.00 H new ATOM 0 HH22 ARG A 168 -1.143 -14.177 8.354 1.00 0.00 H new ATOM 1677 N ARG A 169 1.934 -8.740 5.743 1.00 0.00 N ATOM 1678 CA ARG A 169 3.003 -9.718 5.569 1.00 0.00 C ATOM 1679 C ARG A 169 2.678 -11.019 6.293 1.00 0.00 C ATOM 1680 O ARG A 169 2.262 -11.011 7.452 1.00 0.00 O ATOM 1681 CB ARG A 169 4.339 -9.159 6.069 1.00 0.00 C ATOM 1682 CG ARG A 169 4.213 -8.222 7.262 1.00 0.00 C ATOM 1683 CD ARG A 169 3.695 -8.949 8.493 1.00 0.00 C ATOM 1684 NE ARG A 169 4.089 -8.279 9.730 1.00 0.00 N ATOM 1685 CZ ARG A 169 3.496 -8.483 10.904 1.00 0.00 C ATOM 1686 NH1 ARG A 169 2.484 -9.335 11.005 1.00 0.00 N1+ ATOM 1687 NH2 ARG A 169 3.917 -7.834 11.980 1.00 0.00 N ATOM 0 H ARG A 169 1.883 -8.328 6.675 1.00 0.00 H new ATOM 0 HA ARG A 169 3.088 -9.928 4.503 1.00 0.00 H new ATOM 0 HB2 ARG A 169 4.990 -9.990 6.341 1.00 0.00 H new ATOM 0 HB3 ARG A 169 4.826 -8.627 5.252 1.00 0.00 H new ATOM 0 HG2 ARG A 169 5.185 -7.780 7.482 1.00 0.00 H new ATOM 0 HG3 ARG A 169 3.539 -7.403 7.012 1.00 0.00 H new ATOM 0 HD2 ARG A 169 2.608 -9.013 8.446 1.00 0.00 H new ATOM 0 HD3 ARG A 169 4.075 -9.971 8.497 1.00 0.00 H new ATOM 0 HE ARG A 169 4.864 -7.616 9.692 1.00 0.00 H new ATOM 0 HH11 ARG A 169 2.156 -9.838 10.180 1.00 0.00 H new ATOM 0 HH12 ARG A 169 2.034 -9.487 11.907 1.00 0.00 H new ATOM 0 HH21 ARG A 169 4.695 -7.178 11.908 1.00 0.00 H new ATOM 0 HH22 ARG A 169 3.463 -7.990 12.880 1.00 0.00 H new ATOM 1701 N THR A 170 2.875 -12.136 5.603 1.00 0.00 N ATOM 1702 CA THR A 170 2.611 -13.449 6.180 1.00 0.00 C ATOM 1703 C THR A 170 3.899 -14.076 6.703 1.00 0.00 C ATOM 1704 O THR A 170 3.875 -14.904 7.614 1.00 0.00 O ATOM 1705 CB THR A 170 1.967 -14.367 5.140 1.00 0.00 C ATOM 1706 OG1 THR A 170 2.894 -14.698 4.122 1.00 0.00 O ATOM 1707 CG2 THR A 170 0.752 -13.758 4.474 1.00 0.00 C ATOM 0 H THR A 170 3.217 -12.159 4.642 1.00 0.00 H new ATOM 0 HA THR A 170 1.922 -13.322 7.015 1.00 0.00 H new ATOM 0 HB THR A 170 1.653 -15.253 5.692 1.00 0.00 H new ATOM 0 HG1 THR A 170 2.464 -15.287 3.467 1.00 0.00 H new ATOM 0 HG21 THR A 170 0.344 -14.461 3.748 1.00 0.00 H new ATOM 0 HG22 THR A 170 -0.003 -13.536 5.228 1.00 0.00 H new ATOM 0 HG23 THR A 170 1.039 -12.837 3.966 1.00 0.00 H new ATOM 1715 N THR A 171 5.024 -13.673 6.119 1.00 0.00 N ATOM 1716 CA THR A 171 6.326 -14.190 6.522 1.00 0.00 C ATOM 1717 C THR A 171 7.311 -13.048 6.755 1.00 0.00 C ATOM 1718 O THR A 171 8.286 -12.895 6.018 1.00 0.00 O ATOM 1719 CB THR A 171 6.870 -15.136 5.451 1.00 0.00 C ATOM 1720 OG1 THR A 171 8.159 -15.605 5.803 1.00 0.00 O ATOM 1721 CG2 THR A 171 6.971 -14.490 4.086 1.00 0.00 C ATOM 0 H THR A 171 5.059 -12.988 5.364 1.00 0.00 H new ATOM 0 HA THR A 171 6.204 -14.739 7.456 1.00 0.00 H new ATOM 0 HB THR A 171 6.156 -15.957 5.397 1.00 0.00 H new ATOM 0 HG1 THR A 171 8.773 -14.845 5.882 1.00 0.00 H new ATOM 0 HG21 THR A 171 7.363 -15.212 3.370 1.00 0.00 H new ATOM 0 HG22 THR A 171 5.983 -14.161 3.765 1.00 0.00 H new ATOM 0 HG23 THR A 171 7.640 -13.631 4.139 1.00 0.00 H new ATOM 1729 N PRO A 172 7.069 -12.221 7.787 1.00 0.00 N ATOM 1730 CA PRO A 172 7.939 -11.087 8.110 1.00 0.00 C ATOM 1731 C PRO A 172 9.289 -11.529 8.663 1.00 0.00 C ATOM 1732 O PRO A 172 9.385 -12.534 9.368 1.00 0.00 O ATOM 1733 CB PRO A 172 7.150 -10.325 9.176 1.00 0.00 C ATOM 1734 CG PRO A 172 6.275 -11.352 9.807 1.00 0.00 C ATOM 1735 CD PRO A 172 5.928 -12.327 8.716 1.00 0.00 C ATOM 0 HA PRO A 172 8.174 -10.492 7.227 1.00 0.00 H new ATOM 0 HB2 PRO A 172 7.815 -9.867 9.909 1.00 0.00 H new ATOM 0 HB3 PRO A 172 6.561 -9.521 8.734 1.00 0.00 H new ATOM 0 HG2 PRO A 172 6.789 -11.852 10.628 1.00 0.00 H new ATOM 0 HG3 PRO A 172 5.377 -10.897 10.224 1.00 0.00 H new ATOM 0 HD2 PRO A 172 5.818 -13.340 9.103 1.00 0.00 H new ATOM 0 HD3 PRO A 172 4.988 -12.067 8.229 1.00 0.00 H new