USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=19 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 HE2:sc= -1.12 F(o=-1.8,f=-0.5) USER MOD Set 1.2: A 154 TYR OH : rot 153:sc= 0.623 USER MOD Set 2.1: A 130 LYS NZ :NH3+ -165:sc=-0.00139 (180deg=-0.0536) USER MOD Set 2.2: A 133 THR OG1 : rot 88:sc= 0.711 USER MOD Set 3.1: A 105 SER OG : rot -128:sc= 0.547 USER MOD Set 3.2: A 108 ASN : amide:sc= -3.6 K(o=-3.1,f=-4.4!) 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= -0.988 F(o=-1.6,f=-0.99) USER MOD Single : A 103 TYR OH : rot 180:sc= -0.52 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= 0.0251 USER MOD Single : A 134 SER OG : rot -57:sc= 1.18 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 LYS NZ :NH3+ 141:sc= -1.22 (180deg=-3.1!) USER MOD Single : A 139 LYS NZ :NH3+ -146:sc= -0.324 (180deg=-1.67!) USER MOD Single : A 140 HIS : no HD1:sc= -0.263 X(o=-0.26,f=-0.56) USER MOD Single : A 142 THR OG1 : rot 180:sc=-0.00352 USER MOD Single : A 147 THR OG1 : rot 180:sc= 0 USER MOD Single : A 148 THR OG1 : rot 79:sc= -0.959! USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 SER OG : rot 70:sc= -2.63 USER MOD Single : A 161 ASN : amide:sc= -1.87 K(o=-1.9,f=-5.8!) USER MOD Single : A 164 HIS : no HD1:sc= -0.276 K(o=-0.28,f=-1.7) USER MOD Single : A 166 LYS NZ :NH3+ -148:sc= -0.961 (180deg=-2.75!) USER MOD Single : A 170 THR OG1 : rot 180:sc= 0 USER MOD Single : A 171 THR OG1 : rot -64:sc= 0.888 USER MOD ----------------------------------------------------------------- ATOM 257 N PRO A 87 -6.008 2.449 -16.069 1.00 0.00 N ATOM 258 CA PRO A 87 -4.872 1.775 -15.436 1.00 0.00 C ATOM 259 C PRO A 87 -3.528 2.331 -15.901 1.00 0.00 C ATOM 260 O PRO A 87 -3.312 2.534 -17.096 1.00 0.00 O ATOM 261 CB PRO A 87 -5.029 0.322 -15.887 1.00 0.00 C ATOM 262 CG PRO A 87 -5.749 0.408 -17.187 1.00 0.00 C ATOM 263 CD PRO A 87 -6.670 1.592 -17.073 1.00 0.00 C ATOM 0 HA PRO A 87 -4.874 1.907 -14.354 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -4.060 -0.164 -16.002 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -5.594 -0.260 -15.159 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -5.049 0.536 -18.013 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -6.310 -0.506 -17.383 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -6.783 2.106 -18.028 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -7.668 1.295 -16.751 1.00 0.00 H new ATOM 271 N PRO A 88 -2.597 2.578 -14.961 1.00 0.00 N ATOM 272 CA PRO A 88 -1.267 3.105 -15.289 1.00 0.00 C ATOM 273 C PRO A 88 -0.437 2.100 -16.083 1.00 0.00 C ATOM 274 O PRO A 88 -0.970 1.126 -16.615 1.00 0.00 O ATOM 275 CB PRO A 88 -0.633 3.353 -13.915 1.00 0.00 C ATOM 276 CG PRO A 88 -1.350 2.423 -12.999 1.00 0.00 C ATOM 277 CD PRO A 88 -2.760 2.358 -13.510 1.00 0.00 C ATOM 0 HA PRO A 88 -1.320 3.997 -15.913 1.00 0.00 H new ATOM 0 HB2 PRO A 88 0.438 3.149 -13.929 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -0.755 4.390 -13.603 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -0.887 1.436 -13.001 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -1.322 2.786 -11.972 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -3.223 1.394 -13.297 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -3.390 3.122 -13.054 1.00 0.00 H new ATOM 285 N ASP A 89 0.870 2.335 -16.152 1.00 0.00 N ATOM 286 CA ASP A 89 1.766 1.456 -16.863 1.00 0.00 C ATOM 287 C ASP A 89 2.687 0.750 -15.882 1.00 0.00 C ATOM 288 O ASP A 89 3.055 1.309 -14.849 1.00 0.00 O ATOM 289 CB ASP A 89 2.588 2.239 -17.889 1.00 0.00 C ATOM 290 CG ASP A 89 1.717 2.950 -18.905 1.00 0.00 C ATOM 291 OD1 ASP A 89 1.272 4.081 -18.618 1.00 0.00 O ATOM 292 OD2 ASP A 89 1.480 2.376 -19.989 1.00 0.00 O1- ATOM 0 H ASP A 89 1.326 3.137 -15.717 1.00 0.00 H new ATOM 0 HA ASP A 89 1.173 0.711 -17.394 1.00 0.00 H new ATOM 0 HB2 ASP A 89 3.209 2.970 -17.371 1.00 0.00 H new ATOM 0 HB3 ASP A 89 3.263 1.557 -18.407 1.00 0.00 H new ATOM 297 N GLU A 90 3.054 -0.480 -16.208 1.00 0.00 N ATOM 298 CA GLU A 90 3.929 -1.270 -15.360 1.00 0.00 C ATOM 299 C GLU A 90 5.155 -0.470 -14.926 1.00 0.00 C ATOM 300 O GLU A 90 5.759 -0.757 -13.892 1.00 0.00 O ATOM 301 CB GLU A 90 4.367 -2.531 -16.093 1.00 0.00 C ATOM 302 CG GLU A 90 4.657 -2.317 -17.571 1.00 0.00 C ATOM 303 CD GLU A 90 3.535 -2.812 -18.462 1.00 0.00 C ATOM 304 OE1 GLU A 90 3.545 -4.009 -18.821 1.00 0.00 O1- ATOM 305 OE2 GLU A 90 2.645 -2.003 -18.802 1.00 0.00 O ATOM 0 H GLU A 90 2.756 -0.954 -17.061 1.00 0.00 H new ATOM 0 HA GLU A 90 3.370 -1.545 -14.465 1.00 0.00 H new ATOM 0 HB2 GLU A 90 5.261 -2.927 -15.611 1.00 0.00 H new ATOM 0 HB3 GLU A 90 3.588 -3.287 -15.992 1.00 0.00 H new ATOM 0 HG2 GLU A 90 4.821 -1.255 -17.755 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.580 -2.833 -17.835 1.00 0.00 H new ATOM 312 N GLU A 91 5.513 0.539 -15.717 1.00 0.00 N ATOM 313 CA GLU A 91 6.662 1.381 -15.404 1.00 0.00 C ATOM 314 C GLU A 91 6.545 1.931 -13.990 1.00 0.00 C ATOM 315 O GLU A 91 7.455 1.789 -13.172 1.00 0.00 O ATOM 316 CB GLU A 91 6.750 2.540 -16.396 1.00 0.00 C ATOM 317 CG GLU A 91 6.717 2.100 -17.852 1.00 0.00 C ATOM 318 CD GLU A 91 8.069 2.220 -18.528 1.00 0.00 C ATOM 319 OE1 GLU A 91 8.963 1.404 -18.220 1.00 0.00 O ATOM 320 OE2 GLU A 91 8.233 3.131 -19.368 1.00 0.00 O1- ATOM 0 H GLU A 91 5.025 0.792 -16.576 1.00 0.00 H new ATOM 0 HA GLU A 91 7.565 0.774 -15.477 1.00 0.00 H new ATOM 0 HB2 GLU A 91 5.923 3.227 -16.214 1.00 0.00 H new ATOM 0 HB3 GLU A 91 7.671 3.094 -16.214 1.00 0.00 H new ATOM 0 HG2 GLU A 91 6.378 1.066 -17.908 1.00 0.00 H new ATOM 0 HG3 GLU A 91 5.989 2.704 -18.394 1.00 0.00 H new ATOM 327 N LEU A 92 5.410 2.558 -13.716 1.00 0.00 N ATOM 328 CA LEU A 92 5.149 3.136 -12.408 1.00 0.00 C ATOM 329 C LEU A 92 4.737 2.061 -11.405 1.00 0.00 C ATOM 330 O LEU A 92 4.854 2.256 -10.195 1.00 0.00 O ATOM 331 CB LEU A 92 4.061 4.204 -12.521 1.00 0.00 C ATOM 332 CG LEU A 92 4.017 5.222 -11.378 1.00 0.00 C ATOM 333 CD1 LEU A 92 3.472 4.582 -10.111 1.00 0.00 C ATOM 334 CD2 LEU A 92 5.399 5.808 -11.129 1.00 0.00 C ATOM 0 H LEU A 92 4.652 2.679 -14.387 1.00 0.00 H new ATOM 0 HA LEU A 92 6.067 3.598 -12.045 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.200 4.742 -13.459 1.00 0.00 H new ATOM 0 HB3 LEU A 92 3.093 3.707 -12.579 1.00 0.00 H new ATOM 0 HG LEU A 92 3.348 6.032 -11.668 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.449 5.322 -9.311 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.463 4.214 -10.294 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.114 3.751 -9.818 1.00 0.00 H new ATOM 0 HD21 LEU A 92 5.347 6.529 -10.313 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.091 5.009 -10.863 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.751 6.307 -12.032 1.00 0.00 H new ATOM 346 N ILE A 93 4.259 0.922 -11.906 1.00 0.00 N ATOM 347 CA ILE A 93 3.841 -0.168 -11.037 1.00 0.00 C ATOM 348 C ILE A 93 5.047 -0.881 -10.439 1.00 0.00 C ATOM 349 O ILE A 93 5.040 -1.256 -9.266 1.00 0.00 O ATOM 350 CB ILE A 93 2.971 -1.187 -11.794 1.00 0.00 C ATOM 351 CG1 ILE A 93 1.799 -0.476 -12.471 1.00 0.00 C ATOM 352 CG2 ILE A 93 2.467 -2.266 -10.847 1.00 0.00 C ATOM 353 CD1 ILE A 93 0.974 -1.377 -13.360 1.00 0.00 C ATOM 0 H ILE A 93 4.154 0.735 -12.903 1.00 0.00 H new ATOM 0 HA ILE A 93 3.249 0.271 -10.234 1.00 0.00 H new ATOM 0 HB ILE A 93 3.580 -1.665 -12.562 1.00 0.00 H new ATOM 0 HG12 ILE A 93 1.154 -0.047 -11.704 1.00 0.00 H new ATOM 0 HG13 ILE A 93 2.183 0.353 -13.065 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.854 -2.978 -11.400 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.316 -2.786 -10.403 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.870 -1.808 -10.058 1.00 0.00 H new ATOM 0 HD11 ILE A 93 0.161 -0.803 -13.806 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.605 -1.786 -14.149 1.00 0.00 H new ATOM 0 HD13 ILE A 93 0.560 -2.193 -12.767 1.00 0.00 H new ATOM 365 N LYS A 94 6.085 -1.060 -11.248 1.00 0.00 N ATOM 366 CA LYS A 94 7.298 -1.723 -10.791 1.00 0.00 C ATOM 367 C LYS A 94 8.032 -0.851 -9.780 1.00 0.00 C ATOM 368 O LYS A 94 8.634 -1.353 -8.833 1.00 0.00 O ATOM 369 CB LYS A 94 8.213 -2.045 -11.973 1.00 0.00 C ATOM 370 CG LYS A 94 8.023 -3.447 -12.526 1.00 0.00 C ATOM 371 CD LYS A 94 8.358 -3.513 -14.007 1.00 0.00 C ATOM 372 CE LYS A 94 9.044 -4.822 -14.365 1.00 0.00 C ATOM 373 NZ LYS A 94 8.809 -5.202 -15.785 1.00 0.00 N1+ ATOM 0 H LYS A 94 6.110 -0.756 -12.221 1.00 0.00 H new ATOM 0 HA LYS A 94 7.015 -2.658 -10.307 1.00 0.00 H new ATOM 0 HB2 LYS A 94 8.032 -1.322 -12.769 1.00 0.00 H new ATOM 0 HB3 LYS A 94 9.251 -1.924 -11.662 1.00 0.00 H new ATOM 0 HG2 LYS A 94 8.656 -4.144 -11.977 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.992 -3.763 -12.371 1.00 0.00 H new ATOM 0 HD2 LYS A 94 7.445 -3.407 -14.593 1.00 0.00 H new ATOM 0 HD3 LYS A 94 9.005 -2.677 -14.272 1.00 0.00 H new ATOM 0 HE2 LYS A 94 10.115 -4.731 -14.186 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.678 -5.614 -13.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 9.293 -6.100 -15.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 7.788 -5.314 -15.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.181 -4.458 -16.410 1.00 0.00 H new ATOM 387 N LYS A 95 7.967 0.463 -9.978 1.00 0.00 N ATOM 388 CA LYS A 95 8.615 1.397 -9.068 1.00 0.00 C ATOM 389 C LYS A 95 7.946 1.333 -7.699 1.00 0.00 C ATOM 390 O LYS A 95 8.607 1.142 -6.678 1.00 0.00 O ATOM 391 CB LYS A 95 8.544 2.822 -9.621 1.00 0.00 C ATOM 392 CG LYS A 95 9.632 3.134 -10.638 1.00 0.00 C ATOM 393 CD LYS A 95 10.213 4.522 -10.426 1.00 0.00 C ATOM 394 CE LYS A 95 11.528 4.466 -9.665 1.00 0.00 C ATOM 395 NZ LYS A 95 11.852 5.767 -9.017 1.00 0.00 N1+ ATOM 0 H LYS A 95 7.475 0.901 -10.756 1.00 0.00 H new ATOM 0 HA LYS A 95 9.664 1.117 -8.968 1.00 0.00 H new ATOM 0 HB2 LYS A 95 7.570 2.975 -10.085 1.00 0.00 H new ATOM 0 HB3 LYS A 95 8.618 3.528 -8.794 1.00 0.00 H new ATOM 0 HG2 LYS A 95 10.426 2.391 -10.562 1.00 0.00 H new ATOM 0 HG3 LYS A 95 9.222 3.060 -11.645 1.00 0.00 H new ATOM 0 HD2 LYS A 95 10.370 5.003 -11.391 1.00 0.00 H new ATOM 0 HD3 LYS A 95 9.499 5.136 -9.877 1.00 0.00 H new ATOM 0 HE2 LYS A 95 11.475 3.686 -8.906 1.00 0.00 H new ATOM 0 HE3 LYS A 95 12.331 4.191 -10.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 12.756 5.686 -8.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 11.928 6.507 -9.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 11.098 6.018 -8.345 1.00 0.00 H new ATOM 409 N LEU A 96 6.625 1.483 -7.696 1.00 0.00 N ATOM 410 CA LEU A 96 5.843 1.433 -6.469 1.00 0.00 C ATOM 411 C LEU A 96 6.122 0.155 -5.692 1.00 0.00 C ATOM 412 O LEU A 96 6.605 0.189 -4.561 1.00 0.00 O ATOM 413 CB LEU A 96 4.356 1.507 -6.808 1.00 0.00 C ATOM 414 CG LEU A 96 3.651 2.746 -6.298 1.00 0.00 C ATOM 415 CD1 LEU A 96 2.567 3.182 -7.271 1.00 0.00 C ATOM 416 CD2 LEU A 96 3.073 2.489 -4.915 1.00 0.00 C ATOM 0 H LEU A 96 6.072 1.641 -8.538 1.00 0.00 H new ATOM 0 HA LEU A 96 6.127 2.282 -5.848 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.242 1.460 -7.891 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.860 0.628 -6.397 1.00 0.00 H new ATOM 0 HG LEU A 96 4.376 3.556 -6.220 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.071 4.074 -6.888 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.015 3.404 -8.239 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.836 2.381 -7.384 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.569 3.387 -4.559 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.358 1.668 -4.966 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.877 2.228 -4.227 1.00 0.00 H new ATOM 428 N VAL A 97 5.801 -0.975 -6.312 1.00 0.00 N ATOM 429 CA VAL A 97 6.000 -2.276 -5.692 1.00 0.00 C ATOM 430 C VAL A 97 7.423 -2.428 -5.156 1.00 0.00 C ATOM 431 O VAL A 97 7.667 -3.196 -4.225 1.00 0.00 O ATOM 432 CB VAL A 97 5.684 -3.411 -6.689 1.00 0.00 C ATOM 433 CG1 VAL A 97 6.797 -3.577 -7.713 1.00 0.00 C ATOM 434 CG2 VAL A 97 5.429 -4.716 -5.949 1.00 0.00 C ATOM 0 H VAL A 97 5.400 -1.014 -7.249 1.00 0.00 H new ATOM 0 HA VAL A 97 5.312 -2.345 -4.850 1.00 0.00 H new ATOM 0 HB VAL A 97 4.778 -3.138 -7.230 1.00 0.00 H new ATOM 0 HG11 VAL A 97 6.542 -4.384 -8.400 1.00 0.00 H new ATOM 0 HG12 VAL A 97 6.918 -2.649 -8.273 1.00 0.00 H new ATOM 0 HG13 VAL A 97 7.729 -3.816 -7.201 1.00 0.00 H new ATOM 0 HG21 VAL A 97 5.208 -5.505 -6.668 1.00 0.00 H new ATOM 0 HG22 VAL A 97 6.314 -4.987 -5.374 1.00 0.00 H new ATOM 0 HG23 VAL A 97 4.582 -4.592 -5.274 1.00 0.00 H new ATOM 444 N ASP A 98 8.357 -1.684 -5.742 1.00 0.00 N ATOM 445 CA ASP A 98 9.749 -1.730 -5.312 1.00 0.00 C ATOM 446 C ASP A 98 9.911 -1.079 -3.943 1.00 0.00 C ATOM 447 O ASP A 98 10.801 -1.441 -3.173 1.00 0.00 O ATOM 448 CB ASP A 98 10.647 -1.029 -6.334 1.00 0.00 C ATOM 449 CG ASP A 98 11.906 -1.819 -6.636 1.00 0.00 C ATOM 450 OD1 ASP A 98 12.338 -2.603 -5.765 1.00 0.00 O1- ATOM 451 OD2 ASP A 98 12.461 -1.652 -7.742 1.00 0.00 O ATOM 0 H ASP A 98 8.174 -1.043 -6.515 1.00 0.00 H new ATOM 0 HA ASP A 98 10.048 -2.776 -5.238 1.00 0.00 H new ATOM 0 HB2 ASP A 98 10.089 -0.873 -7.257 1.00 0.00 H new ATOM 0 HB3 ASP A 98 10.921 -0.044 -5.957 1.00 0.00 H new ATOM 456 N GLN A 99 9.041 -0.116 -3.643 1.00 0.00 N ATOM 457 CA GLN A 99 9.086 0.581 -2.365 1.00 0.00 C ATOM 458 C GLN A 99 8.645 -0.341 -1.234 1.00 0.00 C ATOM 459 O GLN A 99 9.233 -0.339 -0.152 1.00 0.00 O ATOM 460 CB GLN A 99 8.195 1.823 -2.406 1.00 0.00 C ATOM 461 CG GLN A 99 8.913 3.074 -2.886 1.00 0.00 C ATOM 462 CD GLN A 99 9.580 2.882 -4.234 1.00 0.00 C ATOM 463 OE1 GLN A 99 8.907 3.317 -5.294 1.00 0.00 O flip ATOM 464 NE2 GLN A 99 10.686 2.351 -4.323 1.00 0.00 N flip ATOM 0 H GLN A 99 8.299 0.197 -4.269 1.00 0.00 H new ATOM 0 HA GLN A 99 10.115 0.890 -2.180 1.00 0.00 H new ATOM 0 HB2 GLN A 99 7.345 1.629 -3.061 1.00 0.00 H new ATOM 0 HB3 GLN A 99 7.794 2.005 -1.409 1.00 0.00 H new ATOM 0 HG2 GLN A 99 8.200 3.895 -2.951 1.00 0.00 H new ATOM 0 HG3 GLN A 99 9.664 3.362 -2.151 1.00 0.00 H new ATOM 0 HE21 GLN A 99 11.167 2.032 -3.482 1.00 0.00 H new ATOM 0 HE22 GLN A 99 11.122 2.230 -5.237 1.00 0.00 H new ATOM 473 N ILE A 100 7.609 -1.133 -1.495 1.00 0.00 N ATOM 474 CA ILE A 100 7.094 -2.064 -0.504 1.00 0.00 C ATOM 475 C ILE A 100 8.133 -3.109 -0.163 1.00 0.00 C ATOM 476 O ILE A 100 8.602 -3.196 0.971 1.00 0.00 O ATOM 477 CB ILE A 100 5.828 -2.788 -0.996 1.00 0.00 C ATOM 478 CG1 ILE A 100 4.958 -1.872 -1.861 1.00 0.00 C ATOM 479 CG2 ILE A 100 5.037 -3.296 0.193 1.00 0.00 C ATOM 480 CD1 ILE A 100 4.713 -0.513 -1.246 1.00 0.00 C ATOM 0 H ILE A 100 7.112 -1.146 -2.385 1.00 0.00 H new ATOM 0 HA ILE A 100 6.846 -1.472 0.377 1.00 0.00 H new ATOM 0 HB ILE A 100 6.135 -3.631 -1.615 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.436 -1.741 -2.832 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.999 -2.359 -2.041 1.00 0.00 H new ATOM 0 HG21 ILE A 100 4.141 -3.808 -0.158 1.00 0.00 H new ATOM 0 HG22 ILE A 100 5.650 -3.990 0.768 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.750 -2.456 0.825 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.090 0.082 -1.914 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.207 -0.633 -0.288 1.00 0.00 H new ATOM 0 HD13 ILE A 100 5.666 -0.006 -1.092 1.00 0.00 H new ATOM 492 N GLU A 101 8.504 -3.894 -1.166 1.00 0.00 N ATOM 493 CA GLU A 101 9.511 -4.936 -0.991 1.00 0.00 C ATOM 494 C GLU A 101 10.738 -4.370 -0.279 1.00 0.00 C ATOM 495 O GLU A 101 11.499 -5.101 0.353 1.00 0.00 O ATOM 496 CB GLU A 101 9.913 -5.523 -2.345 1.00 0.00 C ATOM 497 CG GLU A 101 10.697 -6.820 -2.237 1.00 0.00 C ATOM 498 CD GLU A 101 12.186 -6.589 -2.060 1.00 0.00 C ATOM 499 OE1 GLU A 101 12.684 -5.545 -2.531 1.00 0.00 O1- ATOM 500 OE2 GLU A 101 12.853 -7.453 -1.452 1.00 0.00 O ATOM 0 H GLU A 101 8.123 -3.830 -2.110 1.00 0.00 H new ATOM 0 HA GLU A 101 9.084 -5.731 -0.380 1.00 0.00 H new ATOM 0 HB2 GLU A 101 9.014 -5.699 -2.936 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.512 -4.790 -2.886 1.00 0.00 H new ATOM 0 HG2 GLU A 101 10.320 -7.399 -1.394 1.00 0.00 H new ATOM 0 HG3 GLU A 101 10.530 -7.417 -3.134 1.00 0.00 H new ATOM 507 N PHE A 102 10.905 -3.053 -0.378 1.00 0.00 N ATOM 508 CA PHE A 102 12.017 -2.365 0.264 1.00 0.00 C ATOM 509 C PHE A 102 11.659 -2.048 1.709 1.00 0.00 C ATOM 510 O PHE A 102 12.451 -2.263 2.626 1.00 0.00 O ATOM 511 CB PHE A 102 12.339 -1.077 -0.499 1.00 0.00 C ATOM 512 CG PHE A 102 13.205 -0.108 0.261 1.00 0.00 C ATOM 513 CD1 PHE A 102 12.653 0.720 1.225 1.00 0.00 C ATOM 514 CD2 PHE A 102 14.564 -0.024 0.008 1.00 0.00 C ATOM 515 CE1 PHE A 102 13.443 1.614 1.923 1.00 0.00 C ATOM 516 CE2 PHE A 102 15.358 0.869 0.702 1.00 0.00 C ATOM 517 CZ PHE A 102 14.797 1.689 1.661 1.00 0.00 C ATOM 0 H PHE A 102 10.279 -2.440 -0.900 1.00 0.00 H new ATOM 0 HA PHE A 102 12.896 -3.009 0.252 1.00 0.00 H new ATOM 0 HB2 PHE A 102 12.837 -1.337 -1.433 1.00 0.00 H new ATOM 0 HB3 PHE A 102 11.405 -0.582 -0.763 1.00 0.00 H new ATOM 0 HD1 PHE A 102 11.595 0.666 1.433 1.00 0.00 H new ATOM 0 HD2 PHE A 102 15.008 -0.664 -0.740 1.00 0.00 H new ATOM 0 HE1 PHE A 102 13.002 2.254 2.673 1.00 0.00 H new ATOM 0 HE2 PHE A 102 16.416 0.926 0.495 1.00 0.00 H new ATOM 0 HZ PHE A 102 15.416 2.387 2.205 1.00 0.00 H new ATOM 527 N TYR A 103 10.450 -1.539 1.890 1.00 0.00 N ATOM 528 CA TYR A 103 9.948 -1.185 3.211 1.00 0.00 C ATOM 529 C TYR A 103 9.899 -2.410 4.117 1.00 0.00 C ATOM 530 O TYR A 103 10.433 -2.405 5.226 1.00 0.00 O ATOM 531 CB TYR A 103 8.547 -0.569 3.085 1.00 0.00 C ATOM 532 CG TYR A 103 7.463 -1.344 3.810 1.00 0.00 C ATOM 533 CD1 TYR A 103 7.236 -1.137 5.163 1.00 0.00 C ATOM 534 CD2 TYR A 103 6.678 -2.286 3.149 1.00 0.00 C ATOM 535 CE1 TYR A 103 6.259 -1.838 5.839 1.00 0.00 C ATOM 536 CE2 TYR A 103 5.698 -2.993 3.821 1.00 0.00 C ATOM 537 CZ TYR A 103 5.492 -2.765 5.165 1.00 0.00 C ATOM 538 OH TYR A 103 4.517 -3.466 5.838 1.00 0.00 O ATOM 0 H TYR A 103 9.792 -1.360 1.131 1.00 0.00 H new ATOM 0 HA TYR A 103 10.625 -0.456 3.656 1.00 0.00 H new ATOM 0 HB2 TYR A 103 8.573 0.449 3.474 1.00 0.00 H new ATOM 0 HB3 TYR A 103 8.285 -0.500 2.029 1.00 0.00 H new ATOM 0 HD1 TYR A 103 7.835 -0.414 5.697 1.00 0.00 H new ATOM 0 HD2 TYR A 103 6.837 -2.467 2.096 1.00 0.00 H new ATOM 0 HE1 TYR A 103 6.095 -1.662 6.892 1.00 0.00 H new ATOM 0 HE2 TYR A 103 5.097 -3.720 3.296 1.00 0.00 H new ATOM 0 HH TYR A 103 4.067 -4.078 5.218 1.00 0.00 H new ATOM 548 N PHE A 104 9.217 -3.445 3.640 1.00 0.00 N ATOM 549 CA PHE A 104 9.047 -4.673 4.407 1.00 0.00 C ATOM 550 C PHE A 104 10.339 -5.484 4.530 1.00 0.00 C ATOM 551 O PHE A 104 10.343 -6.553 5.141 1.00 0.00 O ATOM 552 CB PHE A 104 7.952 -5.540 3.777 1.00 0.00 C ATOM 553 CG PHE A 104 7.774 -6.870 4.453 1.00 0.00 C ATOM 554 CD1 PHE A 104 7.520 -6.939 5.811 1.00 0.00 C ATOM 555 CD2 PHE A 104 7.870 -8.048 3.730 1.00 0.00 C ATOM 556 CE1 PHE A 104 7.363 -8.159 6.439 1.00 0.00 C ATOM 557 CE2 PHE A 104 7.716 -9.271 4.353 1.00 0.00 C ATOM 558 CZ PHE A 104 7.462 -9.327 5.708 1.00 0.00 C ATOM 0 H PHE A 104 8.771 -3.458 2.723 1.00 0.00 H new ATOM 0 HA PHE A 104 8.758 -4.375 5.415 1.00 0.00 H new ATOM 0 HB2 PHE A 104 7.007 -4.997 3.808 1.00 0.00 H new ATOM 0 HB3 PHE A 104 8.190 -5.705 2.726 1.00 0.00 H new ATOM 0 HD1 PHE A 104 7.444 -6.028 6.387 1.00 0.00 H new ATOM 0 HD2 PHE A 104 8.067 -8.010 2.669 1.00 0.00 H new ATOM 0 HE1 PHE A 104 7.163 -8.200 7.500 1.00 0.00 H new ATOM 0 HE2 PHE A 104 7.794 -10.183 3.780 1.00 0.00 H new ATOM 0 HZ PHE A 104 7.341 -10.283 6.196 1.00 0.00 H new ATOM 568 N SER A 105 11.438 -4.984 3.980 1.00 0.00 N ATOM 569 CA SER A 105 12.707 -5.698 4.085 1.00 0.00 C ATOM 570 C SER A 105 13.064 -5.900 5.557 1.00 0.00 C ATOM 571 O SER A 105 12.921 -4.984 6.364 1.00 0.00 O ATOM 572 CB SER A 105 13.819 -4.930 3.367 1.00 0.00 C ATOM 573 OG SER A 105 15.096 -5.306 3.852 1.00 0.00 O ATOM 0 H SER A 105 11.480 -4.104 3.466 1.00 0.00 H new ATOM 0 HA SER A 105 12.604 -6.672 3.606 1.00 0.00 H new ATOM 0 HB2 SER A 105 13.763 -5.121 2.295 1.00 0.00 H new ATOM 0 HB3 SER A 105 13.674 -3.859 3.508 1.00 0.00 H new ATOM 0 HG SER A 105 15.598 -4.504 4.107 1.00 0.00 H new ATOM 579 N ASP A 106 13.511 -7.105 5.905 1.00 0.00 N ATOM 580 CA ASP A 106 13.871 -7.427 7.290 1.00 0.00 C ATOM 581 C ASP A 106 14.664 -6.293 7.949 1.00 0.00 C ATOM 582 O ASP A 106 14.344 -5.855 9.058 1.00 0.00 O ATOM 583 CB ASP A 106 14.680 -8.728 7.331 1.00 0.00 C ATOM 584 CG ASP A 106 16.044 -8.593 6.681 1.00 0.00 C ATOM 585 OD1 ASP A 106 16.096 -8.310 5.466 1.00 0.00 O ATOM 586 OD2 ASP A 106 17.058 -8.769 7.388 1.00 0.00 O1- ATOM 0 H ASP A 106 13.634 -7.877 5.249 1.00 0.00 H new ATOM 0 HA ASP A 106 12.947 -7.555 7.853 1.00 0.00 H new ATOM 0 HB2 ASP A 106 14.806 -9.040 8.368 1.00 0.00 H new ATOM 0 HB3 ASP A 106 14.119 -9.515 6.828 1.00 0.00 H new ATOM 591 N GLU A 107 15.695 -5.821 7.255 1.00 0.00 N ATOM 592 CA GLU A 107 16.538 -4.740 7.760 1.00 0.00 C ATOM 593 C GLU A 107 15.805 -3.405 7.729 1.00 0.00 C ATOM 594 O GLU A 107 16.182 -2.457 8.416 1.00 0.00 O ATOM 595 CB GLU A 107 17.803 -4.638 6.917 1.00 0.00 C ATOM 596 CG GLU A 107 18.680 -5.873 6.993 1.00 0.00 C ATOM 597 CD GLU A 107 19.407 -5.993 8.320 1.00 0.00 C ATOM 598 OE1 GLU A 107 20.444 -5.318 8.491 1.00 0.00 O ATOM 599 OE2 GLU A 107 18.938 -6.761 9.186 1.00 0.00 O1- ATOM 0 H GLU A 107 15.969 -6.171 6.337 1.00 0.00 H new ATOM 0 HA GLU A 107 16.794 -4.969 8.794 1.00 0.00 H new ATOM 0 HB2 GLU A 107 17.525 -4.463 5.878 1.00 0.00 H new ATOM 0 HB3 GLU A 107 18.379 -3.772 7.243 1.00 0.00 H new ATOM 0 HG2 GLU A 107 18.066 -6.760 6.838 1.00 0.00 H new ATOM 0 HG3 GLU A 107 19.410 -5.846 6.184 1.00 0.00 H new ATOM 606 N ASN A 108 14.755 -3.348 6.928 1.00 0.00 N ATOM 607 CA ASN A 108 13.951 -2.142 6.793 1.00 0.00 C ATOM 608 C ASN A 108 12.806 -2.157 7.792 1.00 0.00 C ATOM 609 O ASN A 108 12.211 -1.125 8.085 1.00 0.00 O ATOM 610 CB ASN A 108 13.408 -2.017 5.370 1.00 0.00 C ATOM 611 CG ASN A 108 14.497 -1.700 4.364 1.00 0.00 C ATOM 612 OD1 ASN A 108 15.374 -2.522 4.102 1.00 0.00 O ATOM 613 ND2 ASN A 108 14.448 -0.500 3.797 1.00 0.00 N ATOM 0 H ASN A 108 14.436 -4.130 6.356 1.00 0.00 H new ATOM 0 HA ASN A 108 14.585 -1.280 6.999 1.00 0.00 H new ATOM 0 HB2 ASN A 108 12.916 -2.948 5.088 1.00 0.00 H new ATOM 0 HB3 ASN A 108 12.650 -1.234 5.340 1.00 0.00 H new ATOM 0 HD21 ASN A 108 15.156 -0.229 3.115 1.00 0.00 H new ATOM 0 HD22 ASN A 108 13.702 0.151 4.044 1.00 0.00 H new ATOM 620 N LEU A 109 12.518 -3.338 8.324 1.00 0.00 N ATOM 621 CA LEU A 109 11.476 -3.506 9.300 1.00 0.00 C ATOM 622 C LEU A 109 11.885 -2.828 10.583 1.00 0.00 C ATOM 623 O LEU A 109 11.200 -1.939 11.088 1.00 0.00 O ATOM 624 CB LEU A 109 11.279 -4.983 9.538 1.00 0.00 C ATOM 625 CG LEU A 109 10.185 -5.638 8.716 1.00 0.00 C ATOM 626 CD1 LEU A 109 8.928 -5.737 9.549 1.00 0.00 C ATOM 627 CD2 LEU A 109 9.910 -4.877 7.432 1.00 0.00 C ATOM 0 H LEU A 109 13.007 -4.200 8.084 1.00 0.00 H new ATOM 0 HA LEU A 109 10.545 -3.063 8.945 1.00 0.00 H new ATOM 0 HB2 LEU A 109 12.219 -5.495 9.332 1.00 0.00 H new ATOM 0 HB3 LEU A 109 11.057 -5.136 10.594 1.00 0.00 H new ATOM 0 HG LEU A 109 10.521 -6.635 8.432 1.00 0.00 H new ATOM 0 HD11 LEU A 109 8.139 -6.207 8.962 1.00 0.00 H new ATOM 0 HD12 LEU A 109 9.126 -6.337 10.437 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.611 -4.738 9.849 1.00 0.00 H new ATOM 0 HD21 LEU A 109 9.120 -5.379 6.873 1.00 0.00 H new ATOM 0 HD22 LEU A 109 9.595 -3.861 7.671 1.00 0.00 H new ATOM 0 HD23 LEU A 109 10.817 -4.843 6.828 1.00 0.00 H new ATOM 639 N GLU A 110 13.040 -3.244 11.084 1.00 0.00 N ATOM 640 CA GLU A 110 13.603 -2.686 12.279 1.00 0.00 C ATOM 641 C GLU A 110 13.690 -1.162 12.177 1.00 0.00 C ATOM 642 O GLU A 110 13.902 -0.474 13.175 1.00 0.00 O ATOM 643 CB GLU A 110 14.997 -3.278 12.480 1.00 0.00 C ATOM 644 CG GLU A 110 15.071 -4.357 13.545 1.00 0.00 C ATOM 645 CD GLU A 110 16.404 -4.364 14.268 1.00 0.00 C ATOM 646 OE1 GLU A 110 16.615 -3.487 15.133 1.00 0.00 O ATOM 647 OE2 GLU A 110 17.236 -5.246 13.971 1.00 0.00 O1- ATOM 0 H GLU A 110 13.605 -3.981 10.662 1.00 0.00 H new ATOM 0 HA GLU A 110 12.965 -2.929 13.129 1.00 0.00 H new ATOM 0 HB2 GLU A 110 15.342 -3.694 11.533 1.00 0.00 H new ATOM 0 HB3 GLU A 110 15.685 -2.475 12.745 1.00 0.00 H new ATOM 0 HG2 GLU A 110 14.269 -4.206 14.268 1.00 0.00 H new ATOM 0 HG3 GLU A 110 14.905 -5.331 13.084 1.00 0.00 H new ATOM 654 N LYS A 111 13.547 -0.646 10.954 1.00 0.00 N ATOM 655 CA LYS A 111 13.632 0.782 10.709 1.00 0.00 C ATOM 656 C LYS A 111 12.320 1.350 10.163 1.00 0.00 C ATOM 657 O LYS A 111 12.164 2.566 10.056 1.00 0.00 O ATOM 658 CB LYS A 111 14.784 1.044 9.730 1.00 0.00 C ATOM 659 CG LYS A 111 14.415 1.911 8.535 1.00 0.00 C ATOM 660 CD LYS A 111 15.617 2.172 7.641 1.00 0.00 C ATOM 661 CE LYS A 111 16.030 0.921 6.881 1.00 0.00 C ATOM 662 NZ LYS A 111 17.433 1.007 6.392 1.00 0.00 N1+ ATOM 0 H LYS A 111 13.371 -1.205 10.119 1.00 0.00 H new ATOM 0 HA LYS A 111 13.821 1.288 11.655 1.00 0.00 H new ATOM 0 HB2 LYS A 111 15.601 1.522 10.270 1.00 0.00 H new ATOM 0 HB3 LYS A 111 15.159 0.087 9.366 1.00 0.00 H new ATOM 0 HG2 LYS A 111 13.631 1.421 7.958 1.00 0.00 H new ATOM 0 HG3 LYS A 111 14.008 2.860 8.885 1.00 0.00 H new ATOM 0 HD2 LYS A 111 15.380 2.967 6.934 1.00 0.00 H new ATOM 0 HD3 LYS A 111 16.452 2.523 8.247 1.00 0.00 H new ATOM 0 HE2 LYS A 111 15.924 0.051 7.529 1.00 0.00 H new ATOM 0 HE3 LYS A 111 15.359 0.772 6.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 17.676 0.135 5.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 17.529 1.822 5.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 18.076 1.124 7.201 1.00 0.00 H new ATOM 676 N ASP A 112 11.390 0.476 9.786 1.00 0.00 N ATOM 677 CA ASP A 112 10.123 0.927 9.218 1.00 0.00 C ATOM 678 C ASP A 112 8.929 0.452 10.028 1.00 0.00 C ATOM 679 O ASP A 112 8.060 -0.269 9.531 1.00 0.00 O ATOM 680 CB ASP A 112 10.012 0.444 7.784 1.00 0.00 C ATOM 681 CG ASP A 112 9.011 1.242 6.976 1.00 0.00 C ATOM 682 OD1 ASP A 112 7.813 1.226 7.331 1.00 0.00 O ATOM 683 OD2 ASP A 112 9.423 1.882 5.986 1.00 0.00 O1- ATOM 0 H ASP A 112 11.488 -0.536 9.862 1.00 0.00 H new ATOM 0 HA ASP A 112 10.113 2.017 9.244 1.00 0.00 H new ATOM 0 HB2 ASP A 112 10.990 0.506 7.307 1.00 0.00 H new ATOM 0 HB3 ASP A 112 9.721 -0.607 7.780 1.00 0.00 H new ATOM 688 N ALA A 113 8.889 0.882 11.270 1.00 0.00 N ATOM 689 CA ALA A 113 7.797 0.534 12.170 1.00 0.00 C ATOM 690 C ALA A 113 6.562 1.395 11.898 1.00 0.00 C ATOM 691 O ALA A 113 5.503 1.177 12.485 1.00 0.00 O ATOM 692 CB ALA A 113 8.239 0.684 13.618 1.00 0.00 C ATOM 0 H ALA A 113 9.603 1.478 11.688 1.00 0.00 H new ATOM 0 HA ALA A 113 7.528 -0.507 11.989 1.00 0.00 H new ATOM 0 HB1 ALA A 113 7.414 0.421 14.279 1.00 0.00 H new ATOM 0 HB2 ALA A 113 9.084 0.023 13.811 1.00 0.00 H new ATOM 0 HB3 ALA A 113 8.537 1.716 13.802 1.00 0.00 H new ATOM 698 N PHE A 114 6.708 2.381 11.012 1.00 0.00 N ATOM 699 CA PHE A 114 5.608 3.279 10.674 1.00 0.00 C ATOM 700 C PHE A 114 4.609 2.612 9.726 1.00 0.00 C ATOM 701 O PHE A 114 3.398 2.747 9.896 1.00 0.00 O ATOM 702 CB PHE A 114 6.155 4.573 10.052 1.00 0.00 C ATOM 703 CG PHE A 114 6.128 4.587 8.546 1.00 0.00 C ATOM 704 CD1 PHE A 114 7.018 3.817 7.818 1.00 0.00 C ATOM 705 CD2 PHE A 114 5.201 5.359 7.865 1.00 0.00 C ATOM 706 CE1 PHE A 114 6.984 3.812 6.438 1.00 0.00 C ATOM 707 CE2 PHE A 114 5.164 5.362 6.483 1.00 0.00 C ATOM 708 CZ PHE A 114 6.057 4.587 5.770 1.00 0.00 C ATOM 0 H PHE A 114 7.578 2.576 10.517 1.00 0.00 H new ATOM 0 HA PHE A 114 5.077 3.522 11.595 1.00 0.00 H new ATOM 0 HB2 PHE A 114 5.574 5.417 10.424 1.00 0.00 H new ATOM 0 HB3 PHE A 114 7.181 4.720 10.388 1.00 0.00 H new ATOM 0 HD1 PHE A 114 7.748 3.213 8.336 1.00 0.00 H new ATOM 0 HD2 PHE A 114 4.500 5.965 8.420 1.00 0.00 H new ATOM 0 HE1 PHE A 114 7.681 3.203 5.882 1.00 0.00 H new ATOM 0 HE2 PHE A 114 4.438 5.969 5.962 1.00 0.00 H new ATOM 0 HZ PHE A 114 6.030 4.587 4.690 1.00 0.00 H new ATOM 718 N LEU A 115 5.121 1.902 8.723 1.00 0.00 N ATOM 719 CA LEU A 115 4.269 1.229 7.747 1.00 0.00 C ATOM 720 C LEU A 115 3.807 -0.128 8.270 1.00 0.00 C ATOM 721 O LEU A 115 2.746 -0.622 7.887 1.00 0.00 O ATOM 722 CB LEU A 115 5.011 1.063 6.414 1.00 0.00 C ATOM 723 CG LEU A 115 4.178 0.488 5.262 1.00 0.00 C ATOM 724 CD1 LEU A 115 2.962 1.364 4.997 1.00 0.00 C ATOM 725 CD2 LEU A 115 5.022 0.352 3.996 1.00 0.00 C ATOM 0 H LEU A 115 6.121 1.778 8.565 1.00 0.00 H new ATOM 0 HA LEU A 115 3.387 1.848 7.582 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.397 2.036 6.110 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.872 0.414 6.576 1.00 0.00 H new ATOM 0 HG LEU A 115 3.836 -0.505 5.552 1.00 0.00 H new ATOM 0 HD11 LEU A 115 2.381 0.942 4.177 1.00 0.00 H new ATOM 0 HD12 LEU A 115 2.344 1.409 5.894 1.00 0.00 H new ATOM 0 HD13 LEU A 115 3.289 2.369 4.731 1.00 0.00 H new ATOM 0 HD21 LEU A 115 4.410 -0.058 3.193 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.398 1.332 3.702 1.00 0.00 H new ATOM 0 HD23 LEU A 115 5.862 -0.316 4.189 1.00 0.00 H new ATOM 737 N LEU A 116 4.607 -0.726 9.147 1.00 0.00 N ATOM 738 CA LEU A 116 4.275 -2.025 9.721 1.00 0.00 C ATOM 739 C LEU A 116 3.330 -1.881 10.912 1.00 0.00 C ATOM 740 O LEU A 116 2.220 -2.412 10.904 1.00 0.00 O ATOM 741 CB LEU A 116 5.547 -2.755 10.154 1.00 0.00 C ATOM 742 CG LEU A 116 5.319 -4.118 10.812 1.00 0.00 C ATOM 743 CD1 LEU A 116 5.310 -5.220 9.765 1.00 0.00 C ATOM 744 CD2 LEU A 116 6.385 -4.387 11.865 1.00 0.00 C ATOM 0 H LEU A 116 5.489 -0.332 9.475 1.00 0.00 H new ATOM 0 HA LEU A 116 3.769 -2.608 8.952 1.00 0.00 H new ATOM 0 HB2 LEU A 116 6.184 -2.892 9.280 1.00 0.00 H new ATOM 0 HB3 LEU A 116 6.094 -2.119 10.850 1.00 0.00 H new ATOM 0 HG LEU A 116 4.347 -4.105 11.304 1.00 0.00 H new ATOM 0 HD11 LEU A 116 5.147 -6.182 10.251 1.00 0.00 H new ATOM 0 HD12 LEU A 116 4.510 -5.035 9.049 1.00 0.00 H new ATOM 0 HD13 LEU A 116 6.267 -5.235 9.244 1.00 0.00 H new ATOM 0 HD21 LEU A 116 6.207 -5.360 12.322 1.00 0.00 H new ATOM 0 HD22 LEU A 116 7.369 -4.381 11.396 1.00 0.00 H new ATOM 0 HD23 LEU A 116 6.343 -3.613 12.631 1.00 0.00 H new ATOM 922 N TYR A 126 -2.679 -5.867 8.919 1.00 0.00 N ATOM 923 CA TYR A 126 -2.628 -5.500 7.508 1.00 0.00 C ATOM 924 C TYR A 126 -2.269 -4.027 7.332 1.00 0.00 C ATOM 925 O TYR A 126 -2.647 -3.184 8.146 1.00 0.00 O ATOM 926 CB TYR A 126 -3.976 -5.781 6.839 1.00 0.00 C ATOM 927 CG TYR A 126 -4.094 -7.169 6.252 1.00 0.00 C ATOM 928 CD1 TYR A 126 -4.422 -8.257 7.051 1.00 0.00 C ATOM 929 CD2 TYR A 126 -3.882 -7.391 4.897 1.00 0.00 C ATOM 930 CE1 TYR A 126 -4.534 -9.526 6.517 1.00 0.00 C ATOM 931 CE2 TYR A 126 -3.993 -8.658 4.355 1.00 0.00 C ATOM 932 CZ TYR A 126 -4.319 -9.722 5.169 1.00 0.00 C ATOM 933 OH TYR A 126 -4.430 -10.985 4.634 1.00 0.00 O ATOM 0 HA TYR A 126 -1.853 -6.104 7.035 1.00 0.00 H new ATOM 0 HB2 TYR A 126 -4.770 -5.639 7.572 1.00 0.00 H new ATOM 0 HB3 TYR A 126 -4.137 -5.048 6.048 1.00 0.00 H new ATOM 0 HD1 TYR A 126 -4.592 -8.108 8.107 1.00 0.00 H new ATOM 0 HD2 TYR A 126 -3.626 -6.560 4.256 1.00 0.00 H new ATOM 0 HE1 TYR A 126 -4.789 -10.361 7.153 1.00 0.00 H new ATOM 0 HE2 TYR A 126 -3.825 -8.813 3.300 1.00 0.00 H new ATOM 0 HH TYR A 126 -4.249 -10.950 3.672 1.00 0.00 H new ATOM 943 N VAL A 127 -1.552 -3.721 6.253 1.00 0.00 N ATOM 944 CA VAL A 127 -1.162 -2.351 5.960 1.00 0.00 C ATOM 945 C VAL A 127 -2.148 -1.734 4.975 1.00 0.00 C ATOM 946 O VAL A 127 -2.351 -2.254 3.880 1.00 0.00 O ATOM 947 CB VAL A 127 0.258 -2.292 5.368 1.00 0.00 C ATOM 948 CG1 VAL A 127 0.680 -0.859 5.094 1.00 0.00 C ATOM 949 CG2 VAL A 127 1.250 -2.979 6.292 1.00 0.00 C ATOM 0 H VAL A 127 -1.231 -4.406 5.569 1.00 0.00 H new ATOM 0 HA VAL A 127 -1.170 -1.789 6.894 1.00 0.00 H new ATOM 0 HB VAL A 127 0.248 -2.823 4.416 1.00 0.00 H new ATOM 0 HG11 VAL A 127 1.687 -0.850 4.677 1.00 0.00 H new ATOM 0 HG12 VAL A 127 -0.011 -0.406 4.384 1.00 0.00 H new ATOM 0 HG13 VAL A 127 0.668 -0.292 6.025 1.00 0.00 H new ATOM 0 HG21 VAL A 127 2.248 -2.927 5.857 1.00 0.00 H new ATOM 0 HG22 VAL A 127 1.250 -2.480 7.261 1.00 0.00 H new ATOM 0 HG23 VAL A 127 0.964 -4.023 6.421 1.00 0.00 H new ATOM 959 N SER A 128 -2.776 -0.638 5.376 1.00 0.00 N ATOM 960 CA SER A 128 -3.758 0.021 4.528 1.00 0.00 C ATOM 961 C SER A 128 -3.102 0.824 3.409 1.00 0.00 C ATOM 962 O SER A 128 -2.200 1.632 3.645 1.00 0.00 O ATOM 963 CB SER A 128 -4.656 0.933 5.365 1.00 0.00 C ATOM 964 OG SER A 128 -4.648 0.546 6.729 1.00 0.00 O ATOM 0 H SER A 128 -2.624 -0.188 6.279 1.00 0.00 H new ATOM 0 HA SER A 128 -4.362 -0.760 4.066 1.00 0.00 H new ATOM 0 HB2 SER A 128 -4.317 1.965 5.275 1.00 0.00 H new ATOM 0 HB3 SER A 128 -5.675 0.898 4.980 1.00 0.00 H new ATOM 0 HG SER A 128 -5.228 1.146 7.243 1.00 0.00 H new ATOM 970 N VAL A 129 -3.575 0.602 2.186 1.00 0.00 N ATOM 971 CA VAL A 129 -3.051 1.309 1.029 1.00 0.00 C ATOM 972 C VAL A 129 -3.256 2.812 1.185 1.00 0.00 C ATOM 973 O VAL A 129 -2.454 3.613 0.706 1.00 0.00 O ATOM 974 CB VAL A 129 -3.710 0.823 -0.282 1.00 0.00 C ATOM 975 CG1 VAL A 129 -5.082 1.455 -0.477 1.00 0.00 C ATOM 976 CG2 VAL A 129 -2.802 1.117 -1.465 1.00 0.00 C ATOM 0 H VAL A 129 -4.320 -0.062 1.974 1.00 0.00 H new ATOM 0 HA VAL A 129 -1.984 1.095 0.971 1.00 0.00 H new ATOM 0 HB VAL A 129 -3.854 -0.255 -0.214 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -5.520 1.094 -1.407 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -5.729 1.185 0.358 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -4.980 2.539 -0.521 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -3.277 0.770 -2.383 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -2.626 2.191 -1.531 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -1.851 0.601 -1.331 1.00 0.00 H new ATOM 986 N LYS A 130 -4.335 3.185 1.875 1.00 0.00 N ATOM 987 CA LYS A 130 -4.644 4.591 2.111 1.00 0.00 C ATOM 988 C LYS A 130 -3.457 5.294 2.760 1.00 0.00 C ATOM 989 O LYS A 130 -3.269 6.500 2.598 1.00 0.00 O ATOM 990 CB LYS A 130 -5.880 4.722 3.002 1.00 0.00 C ATOM 991 CG LYS A 130 -7.192 4.680 2.235 1.00 0.00 C ATOM 992 CD LYS A 130 -7.307 5.845 1.265 1.00 0.00 C ATOM 993 CE LYS A 130 -6.953 5.426 -0.153 1.00 0.00 C ATOM 994 NZ LYS A 130 -6.207 6.493 -0.877 1.00 0.00 N1+ ATOM 0 H LYS A 130 -5.007 2.532 2.279 1.00 0.00 H new ATOM 0 HA LYS A 130 -4.851 5.064 1.151 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -5.874 3.918 3.738 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -5.822 5.660 3.554 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -7.265 3.740 1.687 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -8.026 4.705 2.936 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -8.323 6.239 1.286 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -6.646 6.651 1.583 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -6.351 4.518 -0.124 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -7.865 5.186 -0.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -6.205 6.285 -1.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -6.667 7.411 -0.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -5.227 6.529 -0.529 1.00 0.00 H new ATOM 1008 N LEU A 131 -2.650 4.525 3.483 1.00 0.00 N ATOM 1009 CA LEU A 131 -1.473 5.058 4.142 1.00 0.00 C ATOM 1010 C LEU A 131 -0.333 5.191 3.139 1.00 0.00 C ATOM 1011 O LEU A 131 0.408 6.174 3.150 1.00 0.00 O ATOM 1012 CB LEU A 131 -1.069 4.153 5.309 1.00 0.00 C ATOM 1013 CG LEU A 131 0.428 4.097 5.595 1.00 0.00 C ATOM 1014 CD1 LEU A 131 0.957 5.481 5.936 1.00 0.00 C ATOM 1015 CD2 LEU A 131 0.726 3.111 6.714 1.00 0.00 C ATOM 0 H LEU A 131 -2.795 3.525 3.625 1.00 0.00 H new ATOM 0 HA LEU A 131 -1.700 6.047 4.540 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -1.583 4.494 6.208 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -1.422 3.142 5.104 1.00 0.00 H new ATOM 0 HG LEU A 131 0.937 3.749 4.696 1.00 0.00 H new ATOM 0 HD11 LEU A 131 2.027 5.422 6.137 1.00 0.00 H new ATOM 0 HD12 LEU A 131 0.782 6.154 5.097 1.00 0.00 H new ATOM 0 HD13 LEU A 131 0.442 5.860 6.819 1.00 0.00 H new ATOM 0 HD21 LEU A 131 1.799 3.087 6.901 1.00 0.00 H new ATOM 0 HD22 LEU A 131 0.206 3.421 7.620 1.00 0.00 H new ATOM 0 HD23 LEU A 131 0.386 2.117 6.423 1.00 0.00 H new ATOM 1027 N LEU A 132 -0.204 4.195 2.268 1.00 0.00 N ATOM 1028 CA LEU A 132 0.842 4.208 1.251 1.00 0.00 C ATOM 1029 C LEU A 132 0.679 5.409 0.324 1.00 0.00 C ATOM 1030 O LEU A 132 1.652 5.910 -0.238 1.00 0.00 O ATOM 1031 CB LEU A 132 0.806 2.916 0.432 1.00 0.00 C ATOM 1032 CG LEU A 132 1.350 1.679 1.145 1.00 0.00 C ATOM 1033 CD1 LEU A 132 0.636 1.470 2.470 1.00 0.00 C ATOM 1034 CD2 LEU A 132 1.201 0.451 0.261 1.00 0.00 C ATOM 0 H LEU A 132 -0.807 3.373 2.246 1.00 0.00 H new ATOM 0 HA LEU A 132 1.804 4.283 1.757 1.00 0.00 H new ATOM 0 HB2 LEU A 132 -0.225 2.721 0.136 1.00 0.00 H new ATOM 0 HB3 LEU A 132 1.377 3.069 -0.483 1.00 0.00 H new ATOM 0 HG LEU A 132 2.410 1.835 1.347 1.00 0.00 H new ATOM 0 HD11 LEU A 132 1.037 0.585 2.964 1.00 0.00 H new ATOM 0 HD12 LEU A 132 0.789 2.341 3.107 1.00 0.00 H new ATOM 0 HD13 LEU A 132 -0.431 1.334 2.291 1.00 0.00 H new ATOM 0 HD21 LEU A 132 1.593 -0.422 0.782 1.00 0.00 H new ATOM 0 HD22 LEU A 132 0.147 0.294 0.031 1.00 0.00 H new ATOM 0 HD23 LEU A 132 1.756 0.600 -0.665 1.00 0.00 H new ATOM 1046 N THR A 133 -0.561 5.863 0.169 1.00 0.00 N ATOM 1047 CA THR A 133 -0.863 7.002 -0.688 1.00 0.00 C ATOM 1048 C THR A 133 -0.267 8.282 -0.123 1.00 0.00 C ATOM 1049 O THR A 133 0.275 9.109 -0.855 1.00 0.00 O ATOM 1050 CB THR A 133 -2.375 7.157 -0.837 1.00 0.00 C ATOM 1051 OG1 THR A 133 -3.059 6.407 0.151 1.00 0.00 O ATOM 1052 CG2 THR A 133 -2.878 6.706 -2.182 1.00 0.00 C ATOM 0 H THR A 133 -1.376 5.456 0.629 1.00 0.00 H new ATOM 0 HA THR A 133 -0.419 6.819 -1.667 1.00 0.00 H new ATOM 0 HB THR A 133 -2.573 8.223 -0.724 1.00 0.00 H new ATOM 0 HG1 THR A 133 -3.171 6.953 0.957 1.00 0.00 H new ATOM 0 HG21 THR A 133 -3.959 6.840 -2.230 1.00 0.00 H new ATOM 0 HG22 THR A 133 -2.404 7.298 -2.965 1.00 0.00 H new ATOM 0 HG23 THR A 133 -2.636 5.653 -2.327 1.00 0.00 H new ATOM 1060 N SER A 134 -0.374 8.431 1.188 1.00 0.00 N ATOM 1061 CA SER A 134 0.154 9.606 1.871 1.00 0.00 C ATOM 1062 C SER A 134 1.567 9.344 2.383 1.00 0.00 C ATOM 1063 O SER A 134 2.050 10.033 3.281 1.00 0.00 O ATOM 1064 CB SER A 134 -0.758 9.999 3.034 1.00 0.00 C ATOM 1065 OG SER A 134 -0.188 11.044 3.801 1.00 0.00 O ATOM 0 H SER A 134 -0.822 7.752 1.803 1.00 0.00 H new ATOM 0 HA SER A 134 0.191 10.427 1.156 1.00 0.00 H new ATOM 0 HB2 SER A 134 -1.728 10.314 2.649 1.00 0.00 H new ATOM 0 HB3 SER A 134 -0.934 9.132 3.670 1.00 0.00 H new ATOM 0 HG SER A 134 0.696 10.769 4.122 1.00 0.00 H new ATOM 1071 N PHE A 135 2.226 8.345 1.803 1.00 0.00 N ATOM 1072 CA PHE A 135 3.584 7.995 2.198 1.00 0.00 C ATOM 1073 C PHE A 135 4.601 8.841 1.433 1.00 0.00 C ATOM 1074 O PHE A 135 4.741 8.716 0.218 1.00 0.00 O ATOM 1075 CB PHE A 135 3.827 6.502 1.963 1.00 0.00 C ATOM 1076 CG PHE A 135 5.211 6.034 2.331 1.00 0.00 C ATOM 1077 CD1 PHE A 135 6.016 6.783 3.177 1.00 0.00 C ATOM 1078 CD2 PHE A 135 5.702 4.837 1.833 1.00 0.00 C ATOM 1079 CE1 PHE A 135 7.284 6.348 3.517 1.00 0.00 C ATOM 1080 CE2 PHE A 135 6.968 4.398 2.169 1.00 0.00 C ATOM 1081 CZ PHE A 135 7.760 5.153 3.012 1.00 0.00 C ATOM 0 H PHE A 135 1.841 7.765 1.058 1.00 0.00 H new ATOM 0 HA PHE A 135 3.708 8.203 3.261 1.00 0.00 H new ATOM 0 HB2 PHE A 135 3.098 5.932 2.539 1.00 0.00 H new ATOM 0 HB3 PHE A 135 3.648 6.278 0.911 1.00 0.00 H new ATOM 0 HD1 PHE A 135 5.648 7.717 3.575 1.00 0.00 H new ATOM 0 HD2 PHE A 135 5.088 4.241 1.175 1.00 0.00 H new ATOM 0 HE1 PHE A 135 7.901 6.941 4.176 1.00 0.00 H new ATOM 0 HE2 PHE A 135 7.339 3.464 1.772 1.00 0.00 H new ATOM 0 HZ PHE A 135 8.749 4.810 3.276 1.00 0.00 H new ATOM 1091 N LYS A 136 5.290 9.717 2.161 1.00 0.00 N ATOM 1092 CA LYS A 136 6.287 10.621 1.580 1.00 0.00 C ATOM 1093 C LYS A 136 7.164 9.944 0.525 1.00 0.00 C ATOM 1094 O LYS A 136 7.609 10.591 -0.423 1.00 0.00 O ATOM 1095 CB LYS A 136 7.171 11.201 2.684 1.00 0.00 C ATOM 1096 CG LYS A 136 8.011 10.157 3.403 1.00 0.00 C ATOM 1097 CD LYS A 136 8.352 10.595 4.818 1.00 0.00 C ATOM 1098 CE LYS A 136 9.571 9.858 5.349 1.00 0.00 C ATOM 1099 NZ LYS A 136 9.438 9.535 6.796 1.00 0.00 N1+ ATOM 0 H LYS A 136 5.175 9.822 3.169 1.00 0.00 H new ATOM 0 HA LYS A 136 5.736 11.416 1.078 1.00 0.00 H new ATOM 0 HB2 LYS A 136 7.832 11.952 2.252 1.00 0.00 H new ATOM 0 HB3 LYS A 136 6.541 11.712 3.412 1.00 0.00 H new ATOM 0 HG2 LYS A 136 7.470 9.211 3.434 1.00 0.00 H new ATOM 0 HG3 LYS A 136 8.930 9.980 2.844 1.00 0.00 H new ATOM 0 HD2 LYS A 136 8.539 11.669 4.833 1.00 0.00 H new ATOM 0 HD3 LYS A 136 7.500 10.411 5.473 1.00 0.00 H new ATOM 0 HE2 LYS A 136 9.713 8.937 4.783 1.00 0.00 H new ATOM 0 HE3 LYS A 136 10.460 10.469 5.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 10.289 9.033 7.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 9.328 10.415 7.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 8.604 8.931 6.942 1.00 0.00 H new ATOM 1113 N LYS A 137 7.424 8.653 0.692 1.00 0.00 N ATOM 1114 CA LYS A 137 8.261 7.922 -0.252 1.00 0.00 C ATOM 1115 C LYS A 137 7.461 7.493 -1.474 1.00 0.00 C ATOM 1116 O LYS A 137 8.001 7.383 -2.574 1.00 0.00 O ATOM 1117 CB LYS A 137 8.882 6.696 0.420 1.00 0.00 C ATOM 1118 CG LYS A 137 9.706 7.030 1.653 1.00 0.00 C ATOM 1119 CD LYS A 137 11.027 7.683 1.279 1.00 0.00 C ATOM 1120 CE LYS A 137 12.076 6.646 0.910 1.00 0.00 C ATOM 1121 NZ LYS A 137 11.864 6.106 -0.462 1.00 0.00 N1+ ATOM 0 H LYS A 137 7.070 8.093 1.468 1.00 0.00 H new ATOM 0 HA LYS A 137 9.058 8.590 -0.578 1.00 0.00 H new ATOM 0 HB2 LYS A 137 8.088 6.004 0.701 1.00 0.00 H new ATOM 0 HB3 LYS A 137 9.515 6.179 -0.301 1.00 0.00 H new ATOM 0 HG2 LYS A 137 9.139 7.698 2.301 1.00 0.00 H new ATOM 0 HG3 LYS A 137 9.897 6.120 2.222 1.00 0.00 H new ATOM 0 HD2 LYS A 137 10.874 8.362 0.440 1.00 0.00 H new ATOM 0 HD3 LYS A 137 11.386 8.284 2.114 1.00 0.00 H new ATOM 0 HE2 LYS A 137 13.068 7.094 0.975 1.00 0.00 H new ATOM 0 HE3 LYS A 137 12.048 5.828 1.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 12.784 5.977 -0.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 11.374 5.191 -0.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 11.286 6.773 -1.012 1.00 0.00 H new ATOM 1135 N VAL A 138 6.171 7.254 -1.275 1.00 0.00 N ATOM 1136 CA VAL A 138 5.300 6.842 -2.361 1.00 0.00 C ATOM 1137 C VAL A 138 4.772 8.052 -3.120 1.00 0.00 C ATOM 1138 O VAL A 138 4.793 8.084 -4.348 1.00 0.00 O ATOM 1139 CB VAL A 138 4.117 5.992 -1.844 1.00 0.00 C ATOM 1140 CG1 VAL A 138 3.047 5.836 -2.914 1.00 0.00 C ATOM 1141 CG2 VAL A 138 4.607 4.628 -1.369 1.00 0.00 C ATOM 0 H VAL A 138 5.708 7.339 -0.370 1.00 0.00 H new ATOM 0 HA VAL A 138 5.894 6.229 -3.039 1.00 0.00 H new ATOM 0 HB VAL A 138 3.670 6.513 -0.997 1.00 0.00 H new ATOM 0 HG11 VAL A 138 2.227 5.234 -2.523 1.00 0.00 H new ATOM 0 HG12 VAL A 138 2.672 6.819 -3.199 1.00 0.00 H new ATOM 0 HG13 VAL A 138 3.475 5.343 -3.787 1.00 0.00 H new ATOM 0 HG21 VAL A 138 3.761 4.043 -1.008 1.00 0.00 H new ATOM 0 HG22 VAL A 138 5.084 4.104 -2.197 1.00 0.00 H new ATOM 0 HG23 VAL A 138 5.327 4.761 -0.561 1.00 0.00 H new ATOM 1151 N LYS A 139 4.292 9.047 -2.388 1.00 0.00 N ATOM 1152 CA LYS A 139 3.761 10.244 -3.021 1.00 0.00 C ATOM 1153 C LYS A 139 4.827 10.951 -3.848 1.00 0.00 C ATOM 1154 O LYS A 139 4.510 11.733 -4.744 1.00 0.00 O ATOM 1155 CB LYS A 139 3.194 11.210 -1.990 1.00 0.00 C ATOM 1156 CG LYS A 139 4.197 11.643 -0.933 1.00 0.00 C ATOM 1157 CD LYS A 139 3.532 12.471 0.156 1.00 0.00 C ATOM 1158 CE LYS A 139 3.765 13.958 -0.054 1.00 0.00 C ATOM 1159 NZ LYS A 139 5.206 14.271 -0.260 1.00 0.00 N1+ ATOM 0 H LYS A 139 4.259 9.050 -1.369 1.00 0.00 H new ATOM 0 HA LYS A 139 2.956 9.924 -3.683 1.00 0.00 H new ATOM 0 HB2 LYS A 139 2.818 12.095 -2.504 1.00 0.00 H new ATOM 0 HB3 LYS A 139 2.342 10.741 -1.498 1.00 0.00 H new ATOM 0 HG2 LYS A 139 4.664 10.763 -0.490 1.00 0.00 H new ATOM 0 HG3 LYS A 139 4.992 12.224 -1.400 1.00 0.00 H new ATOM 0 HD2 LYS A 139 2.461 12.267 0.166 1.00 0.00 H new ATOM 0 HD3 LYS A 139 3.922 12.174 1.130 1.00 0.00 H new ATOM 0 HE2 LYS A 139 3.193 14.297 -0.918 1.00 0.00 H new ATOM 0 HE3 LYS A 139 3.394 14.509 0.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 5.423 15.199 0.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 5.789 13.541 0.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 5.415 14.292 -1.279 1.00 0.00 H new ATOM 1173 N HIS A 140 6.090 10.672 -3.547 1.00 0.00 N ATOM 1174 CA HIS A 140 7.195 11.283 -4.271 1.00 0.00 C ATOM 1175 C HIS A 140 7.247 10.794 -5.719 1.00 0.00 C ATOM 1176 O HIS A 140 8.072 11.257 -6.505 1.00 0.00 O ATOM 1177 CB HIS A 140 8.521 10.975 -3.572 1.00 0.00 C ATOM 1178 CG HIS A 140 9.498 12.109 -3.616 1.00 0.00 C ATOM 1179 ND1 HIS A 140 9.118 13.432 -3.535 1.00 0.00 N ATOM 1180 CD2 HIS A 140 10.847 12.113 -3.732 1.00 0.00 C ATOM 1181 CE1 HIS A 140 10.192 14.201 -3.600 1.00 0.00 C ATOM 1182 NE2 HIS A 140 11.253 13.425 -3.719 1.00 0.00 N ATOM 0 H HIS A 140 6.373 10.028 -2.808 1.00 0.00 H new ATOM 0 HA HIS A 140 7.033 12.361 -4.279 1.00 0.00 H new ATOM 0 HB2 HIS A 140 8.323 10.717 -2.532 1.00 0.00 H new ATOM 0 HB3 HIS A 140 8.973 10.099 -4.037 1.00 0.00 H new ATOM 0 HD2 HIS A 140 11.485 11.246 -3.819 1.00 0.00 H new ATOM 0 HE1 HIS A 140 10.200 15.280 -3.562 1.00 0.00 H new ATOM 0 HE2 HIS A 140 12.218 13.747 -3.790 1.00 0.00 H new ATOM 1191 N LEU A 141 6.366 9.856 -6.069 1.00 0.00 N ATOM 1192 CA LEU A 141 6.334 9.319 -7.425 1.00 0.00 C ATOM 1193 C LEU A 141 5.478 10.187 -8.346 1.00 0.00 C ATOM 1194 O LEU A 141 5.999 10.874 -9.225 1.00 0.00 O ATOM 1195 CB LEU A 141 5.804 7.884 -7.425 1.00 0.00 C ATOM 1196 CG LEU A 141 6.354 6.991 -6.314 1.00 0.00 C ATOM 1197 CD1 LEU A 141 5.311 5.969 -5.895 1.00 0.00 C ATOM 1198 CD2 LEU A 141 7.629 6.300 -6.768 1.00 0.00 C ATOM 0 H LEU A 141 5.672 9.457 -5.437 1.00 0.00 H new ATOM 0 HA LEU A 141 7.357 9.321 -7.803 1.00 0.00 H new ATOM 0 HB2 LEU A 141 4.718 7.914 -7.342 1.00 0.00 H new ATOM 0 HB3 LEU A 141 6.037 7.427 -8.387 1.00 0.00 H new ATOM 0 HG LEU A 141 6.592 7.615 -5.452 1.00 0.00 H new ATOM 0 HD11 LEU A 141 5.716 5.339 -5.103 1.00 0.00 H new ATOM 0 HD12 LEU A 141 4.423 6.484 -5.530 1.00 0.00 H new ATOM 0 HD13 LEU A 141 5.045 5.349 -6.751 1.00 0.00 H new ATOM 0 HD21 LEU A 141 8.007 5.668 -5.964 1.00 0.00 H new ATOM 0 HD22 LEU A 141 7.418 5.686 -7.643 1.00 0.00 H new ATOM 0 HD23 LEU A 141 8.378 7.050 -7.023 1.00 0.00 H new ATOM 1210 N THR A 142 4.164 10.147 -8.145 1.00 0.00 N ATOM 1211 CA THR A 142 3.244 10.927 -8.964 1.00 0.00 C ATOM 1212 C THR A 142 2.110 11.498 -8.119 1.00 0.00 C ATOM 1213 O THR A 142 1.947 11.136 -6.954 1.00 0.00 O ATOM 1214 CB THR A 142 2.672 10.061 -10.088 1.00 0.00 C ATOM 1215 OG1 THR A 142 3.647 9.150 -10.565 1.00 0.00 O ATOM 1216 CG2 THR A 142 2.179 10.866 -11.272 1.00 0.00 C ATOM 0 H THR A 142 3.714 9.584 -7.423 1.00 0.00 H new ATOM 0 HA THR A 142 3.800 11.757 -9.399 1.00 0.00 H new ATOM 0 HB THR A 142 1.824 9.537 -9.646 1.00 0.00 H new ATOM 0 HG1 THR A 142 3.262 8.604 -11.282 1.00 0.00 H new ATOM 0 HG21 THR A 142 1.786 10.191 -12.033 1.00 0.00 H new ATOM 0 HG22 THR A 142 1.391 11.545 -10.947 1.00 0.00 H new ATOM 0 HG23 THR A 142 3.005 11.442 -11.690 1.00 0.00 H new ATOM 1224 N ARG A 143 1.328 12.392 -8.717 1.00 0.00 N ATOM 1225 CA ARG A 143 0.206 13.013 -8.021 1.00 0.00 C ATOM 1226 C ARG A 143 -0.935 12.017 -7.844 1.00 0.00 C ATOM 1227 O ARG A 143 -1.682 12.082 -6.869 1.00 0.00 O ATOM 1228 CB ARG A 143 -0.283 14.239 -8.795 1.00 0.00 C ATOM 1229 CG ARG A 143 -0.611 15.429 -7.906 1.00 0.00 C ATOM 1230 CD ARG A 143 0.330 16.598 -8.156 1.00 0.00 C ATOM 1231 NE ARG A 143 -0.377 17.768 -8.672 1.00 0.00 N ATOM 1232 CZ ARG A 143 -0.726 17.922 -9.947 1.00 0.00 C ATOM 1233 NH1 ARG A 143 -0.438 16.982 -10.840 1.00 0.00 N1+ ATOM 1234 NH2 ARG A 143 -1.366 19.018 -10.332 1.00 0.00 N ATOM 0 H ARG A 143 1.451 12.702 -9.681 1.00 0.00 H new ATOM 0 HA ARG A 143 0.546 13.329 -7.035 1.00 0.00 H new ATOM 0 HB2 ARG A 143 0.482 14.533 -9.514 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -1.171 13.967 -9.366 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -1.639 15.745 -8.086 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -0.548 15.129 -6.860 1.00 0.00 H new ATOM 0 HD2 ARG A 143 0.837 16.861 -7.227 1.00 0.00 H new ATOM 0 HD3 ARG A 143 1.101 16.298 -8.866 1.00 0.00 H new ATOM 0 HE ARG A 143 -0.617 18.511 -8.016 1.00 0.00 H new ATOM 0 HH11 ARG A 143 0.053 16.136 -10.550 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -0.708 17.106 -11.816 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -1.591 19.743 -9.651 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -1.633 19.136 -11.309 1.00 0.00 H new ATOM 1248 N ASP A 144 -1.059 11.095 -8.793 1.00 0.00 N ATOM 1249 CA ASP A 144 -2.105 10.082 -8.743 1.00 0.00 C ATOM 1250 C ASP A 144 -1.765 8.999 -7.727 1.00 0.00 C ATOM 1251 O ASP A 144 -1.285 7.926 -8.089 1.00 0.00 O ATOM 1252 CB ASP A 144 -2.305 9.456 -10.125 1.00 0.00 C ATOM 1253 CG ASP A 144 -2.422 10.498 -11.220 1.00 0.00 C ATOM 1254 OD1 ASP A 144 -3.222 11.443 -11.058 1.00 0.00 O ATOM 1255 OD2 ASP A 144 -1.712 10.370 -12.240 1.00 0.00 O1- ATOM 0 H ASP A 144 -0.447 11.029 -9.606 1.00 0.00 H new ATOM 0 HA ASP A 144 -3.031 10.567 -8.434 1.00 0.00 H new ATOM 0 HB2 ASP A 144 -1.468 8.794 -10.345 1.00 0.00 H new ATOM 0 HB3 ASP A 144 -3.205 8.840 -10.115 1.00 0.00 H new ATOM 1260 N TRP A 145 -2.021 9.285 -6.456 1.00 0.00 N ATOM 1261 CA TRP A 145 -1.747 8.331 -5.396 1.00 0.00 C ATOM 1262 C TRP A 145 -2.786 7.212 -5.404 1.00 0.00 C ATOM 1263 O TRP A 145 -2.562 6.141 -4.841 1.00 0.00 O ATOM 1264 CB TRP A 145 -1.706 9.045 -4.044 1.00 0.00 C ATOM 1265 CG TRP A 145 -0.659 10.113 -3.992 1.00 0.00 C ATOM 1266 CD1 TRP A 145 0.562 10.083 -4.600 1.00 0.00 C ATOM 1267 CD2 TRP A 145 -0.735 11.364 -3.301 1.00 0.00 C ATOM 1268 NE1 TRP A 145 1.252 11.238 -4.331 1.00 0.00 N ATOM 1269 CE2 TRP A 145 0.477 12.043 -3.534 1.00 0.00 C ATOM 1270 CE3 TRP A 145 -1.709 11.979 -2.509 1.00 0.00 C ATOM 1271 CZ2 TRP A 145 0.740 13.302 -3.003 1.00 0.00 C ATOM 1272 CZ3 TRP A 145 -1.446 13.230 -1.982 1.00 0.00 C ATOM 1273 CH2 TRP A 145 -0.231 13.880 -2.232 1.00 0.00 C ATOM 0 H TRP A 145 -2.417 10.169 -6.138 1.00 0.00 H new ATOM 0 HA TRP A 145 -0.771 7.878 -5.568 1.00 0.00 H new ATOM 0 HB2 TRP A 145 -2.681 9.487 -3.840 1.00 0.00 H new ATOM 0 HB3 TRP A 145 -1.516 8.315 -3.257 1.00 0.00 H new ATOM 0 HD1 TRP A 145 0.932 9.268 -5.205 1.00 0.00 H new ATOM 0 HE1 TRP A 145 2.188 11.462 -4.668 1.00 0.00 H new ATOM 0 HE3 TRP A 145 -2.650 11.486 -2.312 1.00 0.00 H new ATOM 0 HZ2 TRP A 145 1.677 13.805 -3.193 1.00 0.00 H new ATOM 0 HZ3 TRP A 145 -2.190 13.714 -1.367 1.00 0.00 H new ATOM 0 HH2 TRP A 145 -0.057 14.858 -1.807 1.00 0.00 H new ATOM 1284 N ARG A 146 -3.909 7.451 -6.080 1.00 0.00 N ATOM 1285 CA ARG A 146 -4.950 6.441 -6.194 1.00 0.00 C ATOM 1286 C ARG A 146 -4.546 5.442 -7.269 1.00 0.00 C ATOM 1287 O ARG A 146 -4.593 4.224 -7.062 1.00 0.00 O ATOM 1288 CB ARG A 146 -6.304 7.077 -6.537 1.00 0.00 C ATOM 1289 CG ARG A 146 -6.222 8.189 -7.570 1.00 0.00 C ATOM 1290 CD ARG A 146 -7.604 8.655 -7.996 1.00 0.00 C ATOM 1291 NE ARG A 146 -7.669 10.106 -8.153 1.00 0.00 N ATOM 1292 CZ ARG A 146 -7.201 10.758 -9.215 1.00 0.00 C ATOM 1293 NH1 ARG A 146 -6.633 10.094 -10.214 1.00 0.00 N1+ ATOM 1294 NH2 ARG A 146 -7.300 12.079 -9.278 1.00 0.00 N ATOM 0 H ARG A 146 -4.117 8.331 -6.553 1.00 0.00 H new ATOM 0 HA ARG A 146 -5.061 5.932 -5.236 1.00 0.00 H new ATOM 0 HB2 ARG A 146 -6.975 6.301 -6.906 1.00 0.00 H new ATOM 0 HB3 ARG A 146 -6.748 7.475 -5.625 1.00 0.00 H new ATOM 0 HG2 ARG A 146 -5.664 9.030 -7.158 1.00 0.00 H new ATOM 0 HG3 ARG A 146 -5.670 7.837 -8.442 1.00 0.00 H new ATOM 0 HD2 ARG A 146 -7.874 8.176 -8.937 1.00 0.00 H new ATOM 0 HD3 ARG A 146 -8.338 8.337 -7.255 1.00 0.00 H new ATOM 0 HE ARG A 146 -8.098 10.651 -7.405 1.00 0.00 H new ATOM 0 HH11 ARG A 146 -6.553 9.078 -10.171 1.00 0.00 H new ATOM 0 HH12 ARG A 146 -6.276 10.600 -11.025 1.00 0.00 H new ATOM 0 HH21 ARG A 146 -7.735 12.595 -8.513 1.00 0.00 H new ATOM 0 HH22 ARG A 146 -6.942 12.579 -10.092 1.00 0.00 H new ATOM 1308 N THR A 147 -4.097 5.973 -8.406 1.00 0.00 N ATOM 1309 CA THR A 147 -3.634 5.142 -9.501 1.00 0.00 C ATOM 1310 C THR A 147 -2.431 4.345 -9.030 1.00 0.00 C ATOM 1311 O THR A 147 -2.119 3.283 -9.567 1.00 0.00 O ATOM 1312 CB THR A 147 -3.315 5.999 -10.728 1.00 0.00 C ATOM 1313 OG1 THR A 147 -4.504 6.319 -11.428 1.00 0.00 O ATOM 1314 CG2 THR A 147 -2.383 5.324 -11.708 1.00 0.00 C ATOM 0 H THR A 147 -4.047 6.976 -8.586 1.00 0.00 H new ATOM 0 HA THR A 147 -4.416 4.445 -9.803 1.00 0.00 H new ATOM 0 HB THR A 147 -2.823 6.890 -10.339 1.00 0.00 H new ATOM 0 HG1 THR A 147 -4.286 6.869 -12.209 1.00 0.00 H new ATOM 0 HG21 THR A 147 -2.200 5.988 -12.553 1.00 0.00 H new ATOM 0 HG22 THR A 147 -1.438 5.097 -11.214 1.00 0.00 H new ATOM 0 HG23 THR A 147 -2.837 4.400 -12.065 1.00 0.00 H new ATOM 1322 N THR A 148 -1.790 4.850 -7.982 1.00 0.00 N ATOM 1323 CA THR A 148 -0.661 4.173 -7.388 1.00 0.00 C ATOM 1324 C THR A 148 -1.148 2.863 -6.756 1.00 0.00 C ATOM 1325 O THR A 148 -0.392 1.900 -6.622 1.00 0.00 O ATOM 1326 CB THR A 148 0.005 5.088 -6.347 1.00 0.00 C ATOM 1327 OG1 THR A 148 0.965 5.926 -6.966 1.00 0.00 O ATOM 1328 CG2 THR A 148 0.703 4.357 -5.219 1.00 0.00 C ATOM 0 H THR A 148 -2.040 5.730 -7.530 1.00 0.00 H new ATOM 0 HA THR A 148 0.085 3.938 -8.147 1.00 0.00 H new ATOM 0 HB THR A 148 -0.819 5.656 -5.916 1.00 0.00 H new ATOM 0 HG1 THR A 148 0.510 6.669 -7.415 1.00 0.00 H new ATOM 0 HG21 THR A 148 1.143 5.081 -4.534 1.00 0.00 H new ATOM 0 HG22 THR A 148 -0.019 3.742 -4.682 1.00 0.00 H new ATOM 0 HG23 THR A 148 1.488 3.721 -5.628 1.00 0.00 H new ATOM 1336 N ALA A 149 -2.433 2.839 -6.390 1.00 0.00 N ATOM 1337 CA ALA A 149 -3.040 1.657 -5.795 1.00 0.00 C ATOM 1338 C ALA A 149 -3.188 0.556 -6.835 1.00 0.00 C ATOM 1339 O ALA A 149 -2.786 -0.584 -6.603 1.00 0.00 O ATOM 1340 CB ALA A 149 -4.392 1.999 -5.186 1.00 0.00 C ATOM 0 H ALA A 149 -3.069 3.629 -6.498 1.00 0.00 H new ATOM 0 HA ALA A 149 -2.387 1.297 -5.000 1.00 0.00 H new ATOM 0 HB1 ALA A 149 -4.830 1.103 -4.746 1.00 0.00 H new ATOM 0 HB2 ALA A 149 -4.262 2.756 -4.413 1.00 0.00 H new ATOM 0 HB3 ALA A 149 -5.054 2.383 -5.962 1.00 0.00 H new ATOM 1346 N HIS A 150 -3.754 0.905 -7.993 1.00 0.00 N ATOM 1347 CA HIS A 150 -3.929 -0.071 -9.075 1.00 0.00 C ATOM 1348 C HIS A 150 -2.632 -0.829 -9.299 1.00 0.00 C ATOM 1349 O HIS A 150 -2.621 -2.048 -9.476 1.00 0.00 O ATOM 1350 CB HIS A 150 -4.327 0.620 -10.382 1.00 0.00 C ATOM 1351 CG HIS A 150 -5.430 -0.081 -11.115 1.00 0.00 C ATOM 1352 ND1 HIS A 150 -6.485 -0.796 -10.658 1.00 0.00 N flip ATOM 1353 CD2 HIS A 150 -5.526 -0.099 -12.491 1.00 0.00 C flip ATOM 1354 CE1 HIS A 150 -7.191 -1.228 -11.754 1.00 0.00 C flip ATOM 1355 NE2 HIS A 150 -6.593 -0.793 -12.847 1.00 0.00 N flip ATOM 0 H HIS A 150 -4.095 1.842 -8.206 1.00 0.00 H new ATOM 0 HA HIS A 150 -4.723 -0.758 -8.781 1.00 0.00 H new ATOM 0 HB2 HIS A 150 -4.638 1.642 -10.164 1.00 0.00 H new ATOM 0 HB3 HIS A 150 -3.453 0.684 -11.031 1.00 0.00 H new ATOM 0 HD1 HIS A 150 -6.713 -0.980 -9.681 1.00 0.00 H new ATOM 0 HD2 HIS A 150 -4.837 0.379 -13.171 1.00 0.00 H new ATOM 0 HE1 HIS A 150 -8.090 -1.826 -11.726 1.00 0.00 H new ATOM 1364 N ALA A 151 -1.544 -0.078 -9.280 1.00 0.00 N ATOM 1365 CA ALA A 151 -0.210 -0.636 -9.474 1.00 0.00 C ATOM 1366 C ALA A 151 0.024 -1.818 -8.542 1.00 0.00 C ATOM 1367 O ALA A 151 0.289 -2.932 -8.991 1.00 0.00 O ATOM 1368 CB ALA A 151 0.847 0.434 -9.243 1.00 0.00 C ATOM 0 H ALA A 151 -1.556 0.931 -9.131 1.00 0.00 H new ATOM 0 HA ALA A 151 -0.134 -0.991 -10.502 1.00 0.00 H new ATOM 0 HB1 ALA A 151 1.838 0.005 -9.391 1.00 0.00 H new ATOM 0 HB2 ALA A 151 0.697 1.252 -9.948 1.00 0.00 H new ATOM 0 HB3 ALA A 151 0.764 0.813 -8.224 1.00 0.00 H new ATOM 1374 N LEU A 152 -0.088 -1.569 -7.242 1.00 0.00 N ATOM 1375 CA LEU A 152 0.098 -2.610 -6.245 1.00 0.00 C ATOM 1376 C LEU A 152 -0.864 -3.754 -6.491 1.00 0.00 C ATOM 1377 O LEU A 152 -0.530 -4.920 -6.295 1.00 0.00 O ATOM 1378 CB LEU A 152 -0.107 -2.017 -4.862 1.00 0.00 C ATOM 1379 CG LEU A 152 1.170 -1.528 -4.192 1.00 0.00 C ATOM 1380 CD1 LEU A 152 2.149 -0.974 -5.224 1.00 0.00 C ATOM 1381 CD2 LEU A 152 0.847 -0.477 -3.143 1.00 0.00 C ATOM 0 H LEU A 152 -0.308 -0.651 -6.856 1.00 0.00 H new ATOM 0 HA LEU A 152 1.111 -3.007 -6.315 1.00 0.00 H new ATOM 0 HB2 LEU A 152 -0.806 -1.184 -4.937 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -0.573 -2.767 -4.224 1.00 0.00 H new ATOM 0 HG LEU A 152 1.644 -2.377 -3.699 1.00 0.00 H new ATOM 0 HD11 LEU A 152 3.053 -0.631 -4.721 1.00 0.00 H new ATOM 0 HD12 LEU A 152 2.406 -1.756 -5.938 1.00 0.00 H new ATOM 0 HD13 LEU A 152 1.688 -0.139 -5.751 1.00 0.00 H new ATOM 0 HD21 LEU A 152 1.770 -0.137 -2.673 1.00 0.00 H new ATOM 0 HD22 LEU A 152 0.348 0.368 -3.617 1.00 0.00 H new ATOM 0 HD23 LEU A 152 0.191 -0.908 -2.386 1.00 0.00 H new ATOM 1393 N LYS A 153 -2.048 -3.406 -6.954 1.00 0.00 N ATOM 1394 CA LYS A 153 -3.065 -4.399 -7.280 1.00 0.00 C ATOM 1395 C LYS A 153 -2.459 -5.475 -8.183 1.00 0.00 C ATOM 1396 O LYS A 153 -2.899 -6.624 -8.191 1.00 0.00 O ATOM 1397 CB LYS A 153 -4.249 -3.730 -7.984 1.00 0.00 C ATOM 1398 CG LYS A 153 -5.590 -4.375 -7.675 1.00 0.00 C ATOM 1399 CD LYS A 153 -6.740 -3.411 -7.913 1.00 0.00 C ATOM 1400 CE LYS A 153 -8.055 -3.969 -7.392 1.00 0.00 C ATOM 1401 NZ LYS A 153 -8.790 -2.976 -6.560 1.00 0.00 N1+ ATOM 0 H LYS A 153 -2.335 -2.441 -7.115 1.00 0.00 H new ATOM 0 HA LYS A 153 -3.422 -4.861 -6.359 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -4.286 -2.680 -7.694 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -4.082 -3.758 -9.061 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -5.721 -5.260 -8.297 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -5.603 -4.710 -6.638 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -6.527 -2.461 -7.422 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -6.828 -3.206 -8.980 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -8.679 -4.271 -8.233 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -7.861 -4.864 -6.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -9.680 -3.396 -6.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -8.205 -2.706 -5.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -8.998 -2.132 -7.130 1.00 0.00 H new ATOM 1415 N TYR A 154 -1.427 -5.080 -8.934 1.00 0.00 N ATOM 1416 CA TYR A 154 -0.724 -5.987 -9.838 1.00 0.00 C ATOM 1417 C TYR A 154 0.618 -6.404 -9.240 1.00 0.00 C ATOM 1418 O TYR A 154 1.525 -6.829 -9.956 1.00 0.00 O ATOM 1419 CB TYR A 154 -0.490 -5.309 -11.187 1.00 0.00 C ATOM 1420 CG TYR A 154 -1.752 -4.776 -11.828 1.00 0.00 C ATOM 1421 CD1 TYR A 154 -2.637 -5.626 -12.476 1.00 0.00 C ATOM 1422 CD2 TYR A 154 -2.056 -3.421 -11.785 1.00 0.00 C ATOM 1423 CE1 TYR A 154 -3.792 -5.142 -13.063 1.00 0.00 C ATOM 1424 CE2 TYR A 154 -3.208 -2.929 -12.369 1.00 0.00 C ATOM 1425 CZ TYR A 154 -4.072 -3.793 -13.006 1.00 0.00 C ATOM 1426 OH TYR A 154 -5.220 -3.308 -13.589 1.00 0.00 O ATOM 0 H TYR A 154 -1.059 -4.129 -8.931 1.00 0.00 H new ATOM 0 HA TYR A 154 -1.341 -6.874 -9.981 1.00 0.00 H new ATOM 0 HB2 TYR A 154 0.214 -4.487 -11.053 1.00 0.00 H new ATOM 0 HB3 TYR A 154 -0.022 -6.022 -11.866 1.00 0.00 H new ATOM 0 HD1 TYR A 154 -2.420 -6.683 -12.523 1.00 0.00 H new ATOM 0 HD2 TYR A 154 -1.381 -2.741 -11.287 1.00 0.00 H new ATOM 0 HE1 TYR A 154 -4.471 -5.817 -13.563 1.00 0.00 H new ATOM 0 HE2 TYR A 154 -3.430 -1.873 -12.326 1.00 0.00 H new ATOM 0 HH TYR A 154 -5.500 -2.490 -13.129 1.00 0.00 H new ATOM 1436 N SER A 155 0.733 -6.278 -7.923 1.00 0.00 N ATOM 1437 CA SER A 155 1.949 -6.635 -7.212 1.00 0.00 C ATOM 1438 C SER A 155 1.671 -7.795 -6.276 1.00 0.00 C ATOM 1439 O SER A 155 1.147 -7.610 -5.177 1.00 0.00 O ATOM 1440 CB SER A 155 2.473 -5.438 -6.422 1.00 0.00 C ATOM 1441 OG SER A 155 3.055 -4.475 -7.283 1.00 0.00 O ATOM 0 H SER A 155 -0.013 -5.927 -7.322 1.00 0.00 H new ATOM 0 HA SER A 155 2.708 -6.932 -7.936 1.00 0.00 H new ATOM 0 HB2 SER A 155 1.657 -4.983 -5.861 1.00 0.00 H new ATOM 0 HB3 SER A 155 3.212 -5.774 -5.694 1.00 0.00 H new ATOM 0 HG SER A 155 2.353 -4.045 -7.815 1.00 0.00 H new ATOM 1447 N VAL A 156 2.009 -8.990 -6.722 1.00 0.00 N ATOM 1448 CA VAL A 156 1.781 -10.183 -5.934 1.00 0.00 C ATOM 1449 C VAL A 156 3.003 -10.541 -5.094 1.00 0.00 C ATOM 1450 O VAL A 156 3.013 -11.559 -4.401 1.00 0.00 O ATOM 1451 CB VAL A 156 1.391 -11.358 -6.843 1.00 0.00 C ATOM 1452 CG1 VAL A 156 2.577 -11.820 -7.677 1.00 0.00 C ATOM 1453 CG2 VAL A 156 0.819 -12.505 -6.024 1.00 0.00 C ATOM 0 H VAL A 156 2.444 -9.159 -7.629 1.00 0.00 H new ATOM 0 HA VAL A 156 0.958 -9.978 -5.250 1.00 0.00 H new ATOM 0 HB VAL A 156 0.617 -11.013 -7.529 1.00 0.00 H new ATOM 0 HG11 VAL A 156 2.273 -12.653 -8.311 1.00 0.00 H new ATOM 0 HG12 VAL A 156 2.926 -10.997 -8.301 1.00 0.00 H new ATOM 0 HG13 VAL A 156 3.383 -12.142 -7.017 1.00 0.00 H new ATOM 0 HG21 VAL A 156 0.549 -13.327 -6.687 1.00 0.00 H new ATOM 0 HG22 VAL A 156 1.565 -12.847 -5.307 1.00 0.00 H new ATOM 0 HG23 VAL A 156 -0.068 -12.164 -5.490 1.00 0.00 H new ATOM 1463 N VAL A 157 4.025 -9.688 -5.141 1.00 0.00 N ATOM 1464 CA VAL A 157 5.231 -9.914 -4.365 1.00 0.00 C ATOM 1465 C VAL A 157 4.904 -9.852 -2.880 1.00 0.00 C ATOM 1466 O VAL A 157 5.459 -10.598 -2.072 1.00 0.00 O ATOM 1467 CB VAL A 157 6.320 -8.875 -4.692 1.00 0.00 C ATOM 1468 CG1 VAL A 157 7.608 -9.193 -3.944 1.00 0.00 C ATOM 1469 CG2 VAL A 157 6.565 -8.815 -6.191 1.00 0.00 C ATOM 0 H VAL A 157 4.037 -8.840 -5.707 1.00 0.00 H new ATOM 0 HA VAL A 157 5.615 -10.901 -4.624 1.00 0.00 H new ATOM 0 HB VAL A 157 5.972 -7.896 -4.364 1.00 0.00 H new ATOM 0 HG11 VAL A 157 8.364 -8.447 -4.189 1.00 0.00 H new ATOM 0 HG12 VAL A 157 7.418 -9.179 -2.871 1.00 0.00 H new ATOM 0 HG13 VAL A 157 7.964 -10.181 -4.237 1.00 0.00 H new ATOM 0 HG21 VAL A 157 7.337 -8.076 -6.404 1.00 0.00 H new ATOM 0 HG22 VAL A 157 6.891 -9.793 -6.546 1.00 0.00 H new ATOM 0 HG23 VAL A 157 5.643 -8.533 -6.699 1.00 0.00 H new ATOM 1479 N LEU A 158 3.979 -8.961 -2.536 1.00 0.00 N ATOM 1480 CA LEU A 158 3.540 -8.793 -1.161 1.00 0.00 C ATOM 1481 C LEU A 158 2.107 -9.296 -1.032 1.00 0.00 C ATOM 1482 O LEU A 158 1.442 -9.542 -2.038 1.00 0.00 O ATOM 1483 CB LEU A 158 3.605 -7.316 -0.745 1.00 0.00 C ATOM 1484 CG LEU A 158 5.003 -6.681 -0.720 1.00 0.00 C ATOM 1485 CD1 LEU A 158 5.799 -7.166 0.481 1.00 0.00 C ATOM 1486 CD2 LEU A 158 5.755 -6.965 -2.012 1.00 0.00 C ATOM 0 H LEU A 158 3.517 -8.340 -3.200 1.00 0.00 H new ATOM 0 HA LEU A 158 4.199 -9.364 -0.507 1.00 0.00 H new ATOM 0 HB2 LEU A 158 2.979 -6.740 -1.426 1.00 0.00 H new ATOM 0 HB3 LEU A 158 3.167 -7.220 0.248 1.00 0.00 H new ATOM 0 HG LEU A 158 4.877 -5.602 -0.632 1.00 0.00 H new ATOM 0 HD11 LEU A 158 6.785 -6.702 0.476 1.00 0.00 H new ATOM 0 HD12 LEU A 158 5.275 -6.895 1.398 1.00 0.00 H new ATOM 0 HD13 LEU A 158 5.908 -8.249 0.432 1.00 0.00 H new ATOM 0 HD21 LEU A 158 6.742 -6.504 -1.968 1.00 0.00 H new ATOM 0 HD22 LEU A 158 5.863 -8.042 -2.141 1.00 0.00 H new ATOM 0 HD23 LEU A 158 5.200 -6.553 -2.854 1.00 0.00 H new ATOM 1498 N GLU A 159 1.623 -9.433 0.193 1.00 0.00 N ATOM 1499 CA GLU A 159 0.259 -9.889 0.407 1.00 0.00 C ATOM 1500 C GLU A 159 -0.649 -8.687 0.641 1.00 0.00 C ATOM 1501 O GLU A 159 -0.555 -8.023 1.660 1.00 0.00 O ATOM 1502 CB GLU A 159 0.202 -10.856 1.597 1.00 0.00 C ATOM 1503 CG GLU A 159 -1.177 -10.991 2.222 1.00 0.00 C ATOM 1504 CD GLU A 159 -2.215 -11.501 1.242 1.00 0.00 C ATOM 1505 OE1 GLU A 159 -2.342 -10.910 0.149 1.00 0.00 O ATOM 1506 OE2 GLU A 159 -2.901 -12.493 1.568 1.00 0.00 O1- ATOM 0 H GLU A 159 2.148 -9.237 1.045 1.00 0.00 H new ATOM 0 HA GLU A 159 -0.087 -10.423 -0.478 1.00 0.00 H new ATOM 0 HB2 GLU A 159 0.538 -11.840 1.268 1.00 0.00 H new ATOM 0 HB3 GLU A 159 0.903 -10.518 2.360 1.00 0.00 H new ATOM 0 HG2 GLU A 159 -1.121 -11.670 3.072 1.00 0.00 H new ATOM 0 HG3 GLU A 159 -1.493 -10.022 2.608 1.00 0.00 H new ATOM 1513 N LEU A 160 -1.516 -8.411 -0.319 1.00 0.00 N ATOM 1514 CA LEU A 160 -2.433 -7.282 -0.232 1.00 0.00 C ATOM 1515 C LEU A 160 -3.768 -7.715 0.354 1.00 0.00 C ATOM 1516 O LEU A 160 -4.167 -8.867 0.187 1.00 0.00 O ATOM 1517 CB LEU A 160 -2.681 -6.738 -1.640 1.00 0.00 C ATOM 1518 CG LEU A 160 -1.632 -5.790 -2.213 1.00 0.00 C ATOM 1519 CD1 LEU A 160 -2.204 -4.390 -2.398 1.00 0.00 C ATOM 1520 CD2 LEU A 160 -0.384 -5.783 -1.346 1.00 0.00 C ATOM 0 H LEU A 160 -1.606 -8.958 -1.176 1.00 0.00 H new ATOM 0 HA LEU A 160 -1.989 -6.522 0.411 1.00 0.00 H new ATOM 0 HB2 LEU A 160 -2.777 -7.586 -2.318 1.00 0.00 H new ATOM 0 HB3 LEU A 160 -3.640 -6.220 -1.639 1.00 0.00 H new ATOM 0 HG LEU A 160 -1.343 -6.151 -3.200 1.00 0.00 H new ATOM 0 HD11 LEU A 160 -1.436 -3.734 -2.808 1.00 0.00 H new ATOM 0 HD12 LEU A 160 -3.050 -4.430 -3.084 1.00 0.00 H new ATOM 0 HD13 LEU A 160 -2.536 -4.002 -1.435 1.00 0.00 H new ATOM 0 HD21 LEU A 160 0.351 -5.101 -1.772 1.00 0.00 H new ATOM 0 HD22 LEU A 160 -0.642 -5.455 -0.339 1.00 0.00 H new ATOM 0 HD23 LEU A 160 0.035 -6.788 -1.304 1.00 0.00 H new ATOM 1532 N ASN A 161 -4.501 -6.792 0.990 1.00 0.00 N ATOM 1533 CA ASN A 161 -5.820 -7.170 1.499 1.00 0.00 C ATOM 1534 C ASN A 161 -6.656 -7.465 0.287 1.00 0.00 C ATOM 1535 O ASN A 161 -6.342 -6.913 -0.765 1.00 0.00 O ATOM 1536 CB ASN A 161 -6.483 -6.065 2.326 1.00 0.00 C ATOM 1537 CG ASN A 161 -7.969 -6.299 2.535 1.00 0.00 C ATOM 1538 OD1 ASN A 161 -8.400 -7.419 2.808 1.00 0.00 O ATOM 1539 ND2 ASN A 161 -8.758 -5.239 2.408 1.00 0.00 N ATOM 0 H ASN A 161 -4.220 -5.826 1.158 1.00 0.00 H new ATOM 0 HA ASN A 161 -5.724 -8.024 2.169 1.00 0.00 H new ATOM 0 HB2 ASN A 161 -5.990 -5.998 3.296 1.00 0.00 H new ATOM 0 HB3 ASN A 161 -6.337 -5.107 1.827 1.00 0.00 H new ATOM 0 HD21 ASN A 161 -9.765 -5.334 2.538 1.00 0.00 H new ATOM 0 HD22 ASN A 161 -8.357 -4.329 2.181 1.00 0.00 H new ATOM 1546 N GLU A 162 -7.683 -8.314 0.481 1.00 0.00 N ATOM 1547 CA GLU A 162 -8.604 -8.816 -0.561 1.00 0.00 C ATOM 1548 C GLU A 162 -8.965 -7.836 -1.667 1.00 0.00 C ATOM 1549 O GLU A 162 -8.816 -8.166 -2.844 1.00 0.00 O ATOM 1550 CB GLU A 162 -9.889 -9.315 0.101 1.00 0.00 C ATOM 1551 CG GLU A 162 -10.670 -8.224 0.815 1.00 0.00 C ATOM 1552 CD GLU A 162 -11.503 -8.759 1.962 1.00 0.00 C ATOM 1553 OE1 GLU A 162 -12.383 -9.609 1.711 1.00 0.00 O ATOM 1554 OE2 GLU A 162 -11.275 -8.328 3.113 1.00 0.00 O1- ATOM 0 H GLU A 162 -7.904 -8.685 1.405 1.00 0.00 H new ATOM 0 HA GLU A 162 -8.052 -9.613 -1.059 1.00 0.00 H new ATOM 0 HB2 GLU A 162 -10.526 -9.769 -0.658 1.00 0.00 H new ATOM 0 HB3 GLU A 162 -9.639 -10.098 0.816 1.00 0.00 H new ATOM 0 HG2 GLU A 162 -9.976 -7.474 1.194 1.00 0.00 H new ATOM 0 HG3 GLU A 162 -11.322 -7.722 0.100 1.00 0.00 H new ATOM 1561 N ASP A 163 -9.405 -6.643 -1.330 1.00 0.00 N ATOM 1562 CA ASP A 163 -9.729 -5.670 -2.363 1.00 0.00 C ATOM 1563 C ASP A 163 -8.446 -4.970 -2.741 1.00 0.00 C ATOM 1564 O ASP A 163 -8.435 -3.797 -3.110 1.00 0.00 O ATOM 1565 CB ASP A 163 -10.764 -4.662 -1.858 1.00 0.00 C ATOM 1566 CG ASP A 163 -12.135 -5.283 -1.677 1.00 0.00 C ATOM 1567 OD1 ASP A 163 -12.906 -5.313 -2.660 1.00 0.00 O ATOM 1568 OD2 ASP A 163 -12.438 -5.737 -0.554 1.00 0.00 O1- ATOM 0 H ASP A 163 -9.546 -6.323 -0.372 1.00 0.00 H new ATOM 0 HA ASP A 163 -10.164 -6.168 -3.229 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -10.428 -4.246 -0.908 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -10.834 -3.833 -2.562 1.00 0.00 H new ATOM 1573 N HIS A 164 -7.347 -5.709 -2.561 1.00 0.00 N ATOM 1574 CA HIS A 164 -6.016 -5.206 -2.780 1.00 0.00 C ATOM 1575 C HIS A 164 -5.925 -3.809 -2.228 1.00 0.00 C ATOM 1576 O HIS A 164 -5.196 -2.950 -2.725 1.00 0.00 O ATOM 1577 CB HIS A 164 -5.604 -5.311 -4.237 1.00 0.00 C ATOM 1578 CG HIS A 164 -5.406 -6.738 -4.637 1.00 0.00 C ATOM 1579 ND1 HIS A 164 -5.097 -7.141 -5.919 1.00 0.00 N ATOM 1580 CD2 HIS A 164 -5.477 -7.873 -3.891 1.00 0.00 C ATOM 1581 CE1 HIS A 164 -4.987 -8.459 -5.948 1.00 0.00 C ATOM 1582 NE2 HIS A 164 -5.212 -8.925 -4.732 1.00 0.00 N ATOM 0 H HIS A 164 -7.372 -6.682 -2.256 1.00 0.00 H new ATOM 0 HA HIS A 164 -5.296 -5.825 -2.244 1.00 0.00 H new ATOM 0 HB2 HIS A 164 -6.367 -4.855 -4.868 1.00 0.00 H new ATOM 0 HB3 HIS A 164 -4.682 -4.753 -4.399 1.00 0.00 H new ATOM 0 HD2 HIS A 164 -5.700 -7.935 -2.836 1.00 0.00 H new ATOM 0 HE1 HIS A 164 -4.753 -9.054 -6.819 1.00 0.00 H new ATOM 0 HE2 HIS A 164 -5.192 -9.908 -4.462 1.00 0.00 H new ATOM 1591 N ARG A 165 -6.683 -3.624 -1.154 1.00 0.00 N ATOM 1592 CA ARG A 165 -6.730 -2.383 -0.453 1.00 0.00 C ATOM 1593 C ARG A 165 -5.664 -2.373 0.610 1.00 0.00 C ATOM 1594 O ARG A 165 -5.341 -1.311 1.144 1.00 0.00 O ATOM 1595 CB ARG A 165 -8.108 -2.164 0.178 1.00 0.00 C ATOM 1596 CG ARG A 165 -9.189 -1.791 -0.825 1.00 0.00 C ATOM 1597 CD ARG A 165 -8.785 -0.589 -1.665 1.00 0.00 C ATOM 1598 NE ARG A 165 -9.815 0.447 -1.671 1.00 0.00 N ATOM 1599 CZ ARG A 165 -9.886 1.418 -2.577 1.00 0.00 C ATOM 1600 NH1 ARG A 165 -8.986 1.493 -3.551 1.00 0.00 N1+ ATOM 1601 NH2 ARG A 165 -10.857 2.319 -2.509 1.00 0.00 N ATOM 0 H ARG A 165 -7.281 -4.348 -0.756 1.00 0.00 H new ATOM 0 HA ARG A 165 -6.551 -1.572 -1.159 1.00 0.00 H new ATOM 0 HB2 ARG A 165 -8.407 -3.073 0.700 1.00 0.00 H new ATOM 0 HB3 ARG A 165 -8.033 -1.376 0.928 1.00 0.00 H new ATOM 0 HG2 ARG A 165 -9.389 -2.641 -1.478 1.00 0.00 H new ATOM 0 HG3 ARG A 165 -10.116 -1.570 -0.296 1.00 0.00 H new ATOM 0 HD2 ARG A 165 -7.855 -0.173 -1.278 1.00 0.00 H new ATOM 0 HD3 ARG A 165 -8.589 -0.911 -2.688 1.00 0.00 H new ATOM 0 HE ARG A 165 -10.522 0.424 -0.936 1.00 0.00 H new ATOM 0 HH11 ARG A 165 -8.236 0.804 -3.607 1.00 0.00 H new ATOM 0 HH12 ARG A 165 -9.045 2.240 -4.243 1.00 0.00 H new ATOM 0 HH21 ARG A 165 -11.549 2.267 -1.762 1.00 0.00 H new ATOM 0 HH22 ARG A 165 -10.911 3.064 -3.204 1.00 0.00 H new ATOM 1615 N LYS A 166 -5.085 -3.545 0.926 1.00 0.00 N ATOM 1616 CA LYS A 166 -4.031 -3.519 1.950 1.00 0.00 C ATOM 1617 C LYS A 166 -2.765 -4.201 1.487 1.00 0.00 C ATOM 1618 O LYS A 166 -2.671 -4.660 0.351 1.00 0.00 O ATOM 1619 CB LYS A 166 -4.497 -4.122 3.276 1.00 0.00 C ATOM 1620 CG LYS A 166 -5.800 -3.524 3.796 1.00 0.00 C ATOM 1621 CD LYS A 166 -5.614 -2.892 5.168 1.00 0.00 C ATOM 1622 CE LYS A 166 -6.770 -1.970 5.521 1.00 0.00 C ATOM 1623 NZ LYS A 166 -7.151 -1.091 4.381 1.00 0.00 N1+ ATOM 0 H LYS A 166 -5.306 -4.455 0.523 1.00 0.00 H new ATOM 0 HA LYS A 166 -3.807 -2.465 2.116 1.00 0.00 H new ATOM 0 HB2 LYS A 166 -4.625 -5.197 3.151 1.00 0.00 H new ATOM 0 HB3 LYS A 166 -3.717 -3.979 4.024 1.00 0.00 H new ATOM 0 HG2 LYS A 166 -6.163 -2.773 3.094 1.00 0.00 H new ATOM 0 HG3 LYS A 166 -6.562 -4.302 3.852 1.00 0.00 H new ATOM 0 HD2 LYS A 166 -5.529 -3.675 5.921 1.00 0.00 H new ATOM 0 HD3 LYS A 166 -4.681 -2.330 5.187 1.00 0.00 H new ATOM 0 HE2 LYS A 166 -7.631 -2.567 5.822 1.00 0.00 H new ATOM 0 HE3 LYS A 166 -6.494 -1.354 6.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 -7.499 -0.181 4.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 -6.321 -0.927 3.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 -7.900 -1.550 3.824 1.00 0.00 H new ATOM 1637 N VAL A 167 -1.792 -4.254 2.383 1.00 0.00 N ATOM 1638 CA VAL A 167 -0.519 -4.877 2.091 1.00 0.00 C ATOM 1639 C VAL A 167 0.117 -5.419 3.362 1.00 0.00 C ATOM 1640 O VAL A 167 0.851 -4.729 4.066 1.00 0.00 O ATOM 1641 CB VAL A 167 0.433 -3.909 1.356 1.00 0.00 C ATOM 1642 CG1 VAL A 167 0.431 -2.529 2.001 1.00 0.00 C ATOM 1643 CG2 VAL A 167 1.850 -4.465 1.283 1.00 0.00 C ATOM 0 H VAL A 167 -1.865 -3.869 3.325 1.00 0.00 H new ATOM 0 HA VAL A 167 -0.704 -5.716 1.420 1.00 0.00 H new ATOM 0 HB VAL A 167 0.060 -3.806 0.337 1.00 0.00 H new ATOM 0 HG11 VAL A 167 1.112 -1.873 1.459 1.00 0.00 H new ATOM 0 HG12 VAL A 167 -0.576 -2.114 1.968 1.00 0.00 H new ATOM 0 HG13 VAL A 167 0.756 -2.612 3.038 1.00 0.00 H new ATOM 0 HG21 VAL A 167 2.492 -3.757 0.759 1.00 0.00 H new ATOM 0 HG22 VAL A 167 2.231 -4.623 2.292 1.00 0.00 H new ATOM 0 HG23 VAL A 167 1.841 -5.413 0.746 1.00 0.00 H new ATOM 1653 N ARG A 168 -0.189 -6.674 3.636 1.00 0.00 N ATOM 1654 CA ARG A 168 0.330 -7.364 4.812 1.00 0.00 C ATOM 1655 C ARG A 168 1.447 -8.327 4.417 1.00 0.00 C ATOM 1656 O ARG A 168 1.625 -8.633 3.239 1.00 0.00 O ATOM 1657 CB ARG A 168 -0.790 -8.135 5.515 1.00 0.00 C ATOM 1658 CG ARG A 168 -0.340 -8.841 6.783 1.00 0.00 C ATOM 1659 CD ARG A 168 -1.522 -9.271 7.636 1.00 0.00 C ATOM 1660 NE ARG A 168 -1.096 -9.956 8.855 1.00 0.00 N ATOM 1661 CZ ARG A 168 -1.936 -10.419 9.778 1.00 0.00 C ATOM 1662 NH1 ARG A 168 -3.246 -10.273 9.627 1.00 0.00 N1+ ATOM 1663 NH2 ARG A 168 -1.463 -11.029 10.857 1.00 0.00 N ATOM 0 H ARG A 168 -0.802 -7.246 3.054 1.00 0.00 H new ATOM 0 HA ARG A 168 0.732 -6.617 5.496 1.00 0.00 H new ATOM 0 HB2 ARG A 168 -1.597 -7.444 5.761 1.00 0.00 H new ATOM 0 HB3 ARG A 168 -1.201 -8.872 4.825 1.00 0.00 H new ATOM 0 HG2 ARG A 168 0.257 -9.715 6.521 1.00 0.00 H new ATOM 0 HG3 ARG A 168 0.303 -8.177 7.361 1.00 0.00 H new ATOM 0 HD2 ARG A 168 -2.116 -8.396 7.900 1.00 0.00 H new ATOM 0 HD3 ARG A 168 -2.167 -9.931 7.056 1.00 0.00 H new ATOM 0 HE ARG A 168 -0.096 -10.087 9.007 1.00 0.00 H new ATOM 0 HH11 ARG A 168 -3.615 -9.804 8.800 1.00 0.00 H new ATOM 0 HH12 ARG A 168 -3.884 -10.630 10.338 1.00 0.00 H new ATOM 0 HH21 ARG A 168 -0.457 -11.143 10.979 1.00 0.00 H new ATOM 0 HH22 ARG A 168 -2.106 -11.384 11.565 1.00 0.00 H new ATOM 1677 N ARG A 169 2.198 -8.801 5.406 1.00 0.00 N ATOM 1678 CA ARG A 169 3.295 -9.728 5.155 1.00 0.00 C ATOM 1679 C ARG A 169 2.872 -11.166 5.432 1.00 0.00 C ATOM 1680 O ARG A 169 2.002 -11.421 6.264 1.00 0.00 O ATOM 1681 CB ARG A 169 4.502 -9.375 6.025 1.00 0.00 C ATOM 1682 CG ARG A 169 4.139 -9.065 7.467 1.00 0.00 C ATOM 1683 CD ARG A 169 4.038 -7.567 7.708 1.00 0.00 C ATOM 1684 NE ARG A 169 3.084 -7.247 8.767 1.00 0.00 N ATOM 1685 CZ ARG A 169 3.285 -7.524 10.054 1.00 0.00 C ATOM 1686 NH1 ARG A 169 4.402 -8.125 10.444 1.00 0.00 N1+ ATOM 1687 NH2 ARG A 169 2.367 -7.199 10.954 1.00 0.00 N ATOM 0 H ARG A 169 2.067 -8.558 6.388 1.00 0.00 H new ATOM 0 HA ARG A 169 3.569 -9.641 4.104 1.00 0.00 H new ATOM 0 HB2 ARG A 169 5.208 -10.205 6.007 1.00 0.00 H new ATOM 0 HB3 ARG A 169 5.011 -8.513 5.594 1.00 0.00 H new ATOM 0 HG2 ARG A 169 3.189 -9.539 7.714 1.00 0.00 H new ATOM 0 HG3 ARG A 169 4.890 -9.491 8.132 1.00 0.00 H new ATOM 0 HD2 ARG A 169 5.020 -7.175 7.974 1.00 0.00 H new ATOM 0 HD3 ARG A 169 3.736 -7.071 6.786 1.00 0.00 H new ATOM 0 HE ARG A 169 2.213 -6.785 8.505 1.00 0.00 H new ATOM 0 HH11 ARG A 169 5.112 -8.377 9.757 1.00 0.00 H new ATOM 0 HH12 ARG A 169 4.550 -8.335 11.431 1.00 0.00 H new ATOM 0 HH21 ARG A 169 1.506 -6.737 10.661 1.00 0.00 H new ATOM 0 HH22 ARG A 169 2.521 -7.411 11.940 1.00 0.00 H new ATOM 1701 N THR A 170 3.497 -12.102 4.726 1.00 0.00 N ATOM 1702 CA THR A 170 3.195 -13.518 4.891 1.00 0.00 C ATOM 1703 C THR A 170 4.390 -14.273 5.472 1.00 0.00 C ATOM 1704 O THR A 170 4.243 -15.383 5.983 1.00 0.00 O ATOM 1705 CB THR A 170 2.799 -14.126 3.547 1.00 0.00 C ATOM 1706 OG1 THR A 170 3.905 -14.147 2.662 1.00 0.00 O ATOM 1707 CG2 THR A 170 1.676 -13.383 2.861 1.00 0.00 C ATOM 0 H THR A 170 4.218 -11.904 4.032 1.00 0.00 H new ATOM 0 HA THR A 170 2.363 -13.609 5.590 1.00 0.00 H new ATOM 0 HB THR A 170 2.457 -15.135 3.776 1.00 0.00 H new ATOM 0 HG1 THR A 170 3.633 -14.541 1.807 1.00 0.00 H new ATOM 0 HG21 THR A 170 1.445 -13.868 1.912 1.00 0.00 H new ATOM 0 HG22 THR A 170 0.791 -13.392 3.498 1.00 0.00 H new ATOM 0 HG23 THR A 170 1.980 -12.353 2.677 1.00 0.00 H new ATOM 1715 N THR A 171 5.574 -13.669 5.385 1.00 0.00 N ATOM 1716 CA THR A 171 6.789 -14.293 5.896 1.00 0.00 C ATOM 1717 C THR A 171 7.749 -13.243 6.454 1.00 0.00 C ATOM 1718 O THR A 171 8.831 -13.025 5.907 1.00 0.00 O ATOM 1719 CB THR A 171 7.474 -15.081 4.782 1.00 0.00 C ATOM 1720 OG1 THR A 171 8.768 -15.498 5.184 1.00 0.00 O ATOM 1721 CG2 THR A 171 7.624 -14.285 3.504 1.00 0.00 C ATOM 0 H THR A 171 5.716 -12.750 4.966 1.00 0.00 H new ATOM 0 HA THR A 171 6.513 -14.970 6.704 1.00 0.00 H new ATOM 0 HB THR A 171 6.829 -15.938 4.589 1.00 0.00 H new ATOM 0 HG1 THR A 171 9.334 -14.712 5.331 1.00 0.00 H new ATOM 0 HG21 THR A 171 8.117 -14.898 2.750 1.00 0.00 H new ATOM 0 HG22 THR A 171 6.639 -13.988 3.143 1.00 0.00 H new ATOM 0 HG23 THR A 171 8.223 -13.395 3.698 1.00 0.00 H new ATOM 1729 N PRO A 172 7.365 -12.573 7.554 1.00 0.00 N ATOM 1730 CA PRO A 172 8.189 -11.543 8.179 1.00 0.00 C ATOM 1731 C PRO A 172 9.181 -12.112 9.187 1.00 0.00 C ATOM 1732 O PRO A 172 8.893 -13.095 9.870 1.00 0.00 O ATOM 1733 CB PRO A 172 7.150 -10.683 8.886 1.00 0.00 C ATOM 1734 CG PRO A 172 6.083 -11.645 9.292 1.00 0.00 C ATOM 1735 CD PRO A 172 6.089 -12.758 8.270 1.00 0.00 C ATOM 0 HA PRO A 172 8.807 -11.010 7.456 1.00 0.00 H new ATOM 0 HB2 PRO A 172 7.577 -10.175 9.751 1.00 0.00 H new ATOM 0 HB3 PRO A 172 6.757 -9.911 8.225 1.00 0.00 H new ATOM 0 HG2 PRO A 172 6.275 -12.036 10.291 1.00 0.00 H new ATOM 0 HG3 PRO A 172 5.111 -11.154 9.323 1.00 0.00 H new ATOM 0 HD2 PRO A 172 6.036 -13.737 8.745 1.00 0.00 H new ATOM 0 HD3 PRO A 172 5.237 -12.685 7.594 1.00 0.00 H new