USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=16 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 Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ -157:sc= -0.0191 (180deg=-0.203) USER MOD Single : A 99 GLN : amide:sc= -0.682 K(o=-0.68,f=-3.1!) USER MOD Single : A 103 TYR OH : rot -140:sc= -2.96! USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -4.09! C(o=-4.1!,f=-9.7!) 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 -86:sc= 0.0768 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 THR OG1 : rot 56:sc= 0.419 USER MOD Single : A 134 SER OG : rot 180:sc= 0.0356 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0452) 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 180:sc= -0.979 USER MOD Single : A 147 THR OG1 : rot -48:sc= -0.191 USER MOD Single : A 148 THR OG1 : rot -13:sc= -1.55 USER MOD Single : A 150 HIS : no HD1:sc= 0 X(o=0,f=-0.0023) USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 TYR OH : rot 180:sc= 0 USER MOD Single : A 155 SER OG : rot -140:sc= -3.32! USER MOD Single : A 161 ASN :FLIP amide:sc= -1.41 F(o=-2.6,f=-1.4) USER MOD Single : A 164 HIS : no HD1:sc= -1.84 K(o=-1.8,f=-4.7!) USER MOD Single : A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 170 THR OG1 : rot 180:sc= 0 USER MOD Single : A 171 THR OG1 : rot -60:sc= 0.322 USER MOD ----------------------------------------------------------------- ATOM 257 N PRO A 87 -6.202 3.944 -15.966 1.00 0.00 N ATOM 258 CA PRO A 87 -5.197 2.962 -15.542 1.00 0.00 C ATOM 259 C PRO A 87 -3.785 3.345 -15.987 1.00 0.00 C ATOM 260 O PRO A 87 -3.582 3.782 -17.120 1.00 0.00 O ATOM 261 CB PRO A 87 -5.638 1.668 -16.234 1.00 0.00 C ATOM 262 CG PRO A 87 -7.088 1.858 -16.517 1.00 0.00 C ATOM 263 CD PRO A 87 -7.266 3.327 -16.778 1.00 0.00 C ATOM 0 HA PRO A 87 -5.145 2.883 -14.456 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -5.075 1.500 -17.152 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -5.471 0.801 -15.594 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -7.399 1.267 -17.379 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -7.697 1.534 -15.673 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -7.154 3.565 -17.836 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -8.255 3.673 -16.476 1.00 0.00 H new ATOM 271 N PRO A 88 -2.787 3.184 -15.099 1.00 0.00 N ATOM 272 CA PRO A 88 -1.395 3.513 -15.406 1.00 0.00 C ATOM 273 C PRO A 88 -0.682 2.381 -16.139 1.00 0.00 C ATOM 274 O PRO A 88 -1.322 1.469 -16.663 1.00 0.00 O ATOM 275 CB PRO A 88 -0.792 3.722 -14.020 1.00 0.00 C ATOM 276 CG PRO A 88 -1.547 2.785 -13.139 1.00 0.00 C ATOM 277 CD PRO A 88 -2.934 2.669 -13.722 1.00 0.00 C ATOM 0 HA PRO A 88 -1.303 4.374 -16.068 1.00 0.00 H new ATOM 0 HB2 PRO A 88 0.275 3.500 -14.014 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -0.904 4.755 -13.690 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -1.060 1.811 -13.102 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -1.587 3.161 -12.117 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -3.284 1.637 -13.717 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -3.657 3.253 -13.152 1.00 0.00 H new ATOM 285 N ASP A 89 0.647 2.439 -16.168 1.00 0.00 N ATOM 286 CA ASP A 89 1.442 1.425 -16.824 1.00 0.00 C ATOM 287 C ASP A 89 2.291 0.681 -15.806 1.00 0.00 C ATOM 288 O ASP A 89 2.660 1.230 -14.768 1.00 0.00 O ATOM 289 CB ASP A 89 2.334 2.053 -17.896 1.00 0.00 C ATOM 290 CG ASP A 89 1.586 2.317 -19.188 1.00 0.00 C ATOM 291 OD1 ASP A 89 0.995 3.410 -19.319 1.00 0.00 O ATOM 292 OD2 ASP A 89 1.592 1.432 -20.069 1.00 0.00 O1- ATOM 0 H ASP A 89 1.192 3.187 -15.739 1.00 0.00 H new ATOM 0 HA ASP A 89 0.768 0.716 -17.305 1.00 0.00 H new ATOM 0 HB2 ASP A 89 2.745 2.990 -17.520 1.00 0.00 H new ATOM 0 HB3 ASP A 89 3.177 1.392 -18.096 1.00 0.00 H new ATOM 297 N GLU A 90 2.597 -0.570 -16.110 1.00 0.00 N ATOM 298 CA GLU A 90 3.401 -1.399 -15.231 1.00 0.00 C ATOM 299 C GLU A 90 4.712 -0.709 -14.865 1.00 0.00 C ATOM 300 O GLU A 90 5.320 -1.019 -13.841 1.00 0.00 O ATOM 301 CB GLU A 90 3.688 -2.739 -15.896 1.00 0.00 C ATOM 302 CG GLU A 90 4.016 -2.635 -17.378 1.00 0.00 C ATOM 303 CD GLU A 90 2.957 -3.272 -18.258 1.00 0.00 C ATOM 304 OE1 GLU A 90 1.790 -3.352 -17.819 1.00 0.00 O ATOM 305 OE2 GLU A 90 3.295 -3.690 -19.385 1.00 0.00 O1- ATOM 0 H GLU A 90 2.297 -1.035 -16.967 1.00 0.00 H new ATOM 0 HA GLU A 90 2.836 -1.563 -14.313 1.00 0.00 H new ATOM 0 HB2 GLU A 90 4.522 -3.217 -15.382 1.00 0.00 H new ATOM 0 HB3 GLU A 90 2.822 -3.389 -15.770 1.00 0.00 H new ATOM 0 HG2 GLU A 90 4.124 -1.585 -17.649 1.00 0.00 H new ATOM 0 HG3 GLU A 90 4.977 -3.114 -17.568 1.00 0.00 H new ATOM 312 N GLU A 91 5.140 0.232 -15.702 1.00 0.00 N ATOM 313 CA GLU A 91 6.375 0.966 -15.454 1.00 0.00 C ATOM 314 C GLU A 91 6.345 1.598 -14.070 1.00 0.00 C ATOM 315 O GLU A 91 7.262 1.419 -13.266 1.00 0.00 O ATOM 316 CB GLU A 91 6.570 2.050 -16.514 1.00 0.00 C ATOM 317 CG GLU A 91 6.557 1.519 -17.938 1.00 0.00 C ATOM 318 CD GLU A 91 5.989 2.518 -18.928 1.00 0.00 C ATOM 319 OE1 GLU A 91 4.946 3.131 -18.620 1.00 0.00 O1- ATOM 320 OE2 GLU A 91 6.588 2.687 -20.011 1.00 0.00 O ATOM 0 H GLU A 91 4.651 0.503 -16.555 1.00 0.00 H new ATOM 0 HA GLU A 91 7.209 0.266 -15.506 1.00 0.00 H new ATOM 0 HB2 GLU A 91 5.783 2.797 -16.407 1.00 0.00 H new ATOM 0 HB3 GLU A 91 7.518 2.557 -16.333 1.00 0.00 H new ATOM 0 HG2 GLU A 91 7.573 1.258 -18.234 1.00 0.00 H new ATOM 0 HG3 GLU A 91 5.969 0.602 -17.975 1.00 0.00 H new ATOM 327 N LEU A 92 5.274 2.331 -13.799 1.00 0.00 N ATOM 328 CA LEU A 92 5.103 2.989 -12.515 1.00 0.00 C ATOM 329 C LEU A 92 4.676 1.988 -11.444 1.00 0.00 C ATOM 330 O LEU A 92 4.890 2.213 -10.253 1.00 0.00 O ATOM 331 CB LEU A 92 4.073 4.111 -12.633 1.00 0.00 C ATOM 332 CG LEU A 92 4.015 5.078 -11.448 1.00 0.00 C ATOM 333 CD1 LEU A 92 3.323 4.429 -10.260 1.00 0.00 C ATOM 334 CD2 LEU A 92 5.414 5.544 -11.064 1.00 0.00 C ATOM 0 H LEU A 92 4.509 2.484 -14.456 1.00 0.00 H new ATOM 0 HA LEU A 92 6.060 3.417 -12.218 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.286 4.683 -13.536 1.00 0.00 H new ATOM 0 HB3 LEU A 92 3.088 3.664 -12.764 1.00 0.00 H new ATOM 0 HG LEU A 92 3.435 5.950 -11.748 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.292 5.133 -9.428 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.306 4.151 -10.538 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.874 3.537 -9.961 1.00 0.00 H new ATOM 0 HD21 LEU A 92 5.350 6.230 -10.220 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.021 4.682 -10.786 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.873 6.053 -11.911 1.00 0.00 H new ATOM 346 N ILE A 93 4.078 0.876 -11.871 1.00 0.00 N ATOM 347 CA ILE A 93 3.634 -0.150 -10.940 1.00 0.00 C ATOM 348 C ILE A 93 4.824 -0.853 -10.300 1.00 0.00 C ATOM 349 O ILE A 93 4.843 -1.086 -9.092 1.00 0.00 O ATOM 350 CB ILE A 93 2.739 -1.191 -11.640 1.00 0.00 C ATOM 351 CG1 ILE A 93 1.527 -0.502 -12.268 1.00 0.00 C ATOM 352 CG2 ILE A 93 2.297 -2.268 -10.657 1.00 0.00 C ATOM 353 CD1 ILE A 93 0.676 -1.426 -13.110 1.00 0.00 C ATOM 0 H ILE A 93 3.892 0.667 -12.852 1.00 0.00 H new ATOM 0 HA ILE A 93 3.052 0.347 -10.164 1.00 0.00 H new ATOM 0 HB ILE A 93 3.315 -1.672 -12.430 1.00 0.00 H new ATOM 0 HG12 ILE A 93 0.911 -0.075 -11.476 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.871 0.327 -12.887 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.666 -2.993 -11.171 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.174 -2.773 -10.252 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.734 -1.810 -9.844 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -0.165 -0.870 -13.524 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.277 -1.834 -13.923 1.00 0.00 H new ATOM 0 HD13 ILE A 93 0.302 -2.242 -12.491 1.00 0.00 H new ATOM 365 N LYS A 94 5.818 -1.185 -11.117 1.00 0.00 N ATOM 366 CA LYS A 94 7.012 -1.857 -10.624 1.00 0.00 C ATOM 367 C LYS A 94 7.781 -0.949 -9.672 1.00 0.00 C ATOM 368 O LYS A 94 8.350 -1.410 -8.682 1.00 0.00 O ATOM 369 CB LYS A 94 7.909 -2.279 -11.790 1.00 0.00 C ATOM 370 CG LYS A 94 8.512 -3.664 -11.623 1.00 0.00 C ATOM 371 CD LYS A 94 9.698 -3.644 -10.673 1.00 0.00 C ATOM 372 CE LYS A 94 10.028 -5.039 -10.166 1.00 0.00 C ATOM 373 NZ LYS A 94 10.621 -5.892 -11.233 1.00 0.00 N1+ ATOM 0 H LYS A 94 5.820 -1.000 -12.120 1.00 0.00 H new ATOM 0 HA LYS A 94 6.703 -2.750 -10.081 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.328 -2.253 -12.712 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.714 -1.552 -11.900 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.753 -4.349 -11.245 1.00 0.00 H new ATOM 0 HG3 LYS A 94 8.829 -4.044 -12.594 1.00 0.00 H new ATOM 0 HD2 LYS A 94 10.566 -3.226 -11.182 1.00 0.00 H new ATOM 0 HD3 LYS A 94 9.478 -2.991 -9.828 1.00 0.00 H new ATOM 0 HE2 LYS A 94 10.724 -4.966 -9.331 1.00 0.00 H new ATOM 0 HE3 LYS A 94 9.122 -5.511 -9.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 10.832 -6.834 -10.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 9.947 -5.983 -12.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 11.499 -5.455 -11.579 1.00 0.00 H new ATOM 387 N LYS A 95 7.783 0.348 -9.966 1.00 0.00 N ATOM 388 CA LYS A 95 8.469 1.314 -9.118 1.00 0.00 C ATOM 389 C LYS A 95 7.802 1.366 -7.749 1.00 0.00 C ATOM 390 O LYS A 95 8.463 1.265 -6.713 1.00 0.00 O ATOM 391 CB LYS A 95 8.451 2.701 -9.764 1.00 0.00 C ATOM 392 CG LYS A 95 9.408 2.839 -10.936 1.00 0.00 C ATOM 393 CD LYS A 95 9.125 4.098 -11.742 1.00 0.00 C ATOM 394 CE LYS A 95 10.410 4.808 -12.138 1.00 0.00 C ATOM 395 NZ LYS A 95 11.114 5.381 -10.958 1.00 0.00 N1+ ATOM 0 H LYS A 95 7.320 0.751 -10.780 1.00 0.00 H new ATOM 0 HA LYS A 95 9.506 1.001 -8.999 1.00 0.00 H new ATOM 0 HB2 LYS A 95 7.439 2.921 -10.104 1.00 0.00 H new ATOM 0 HB3 LYS A 95 8.703 3.447 -9.010 1.00 0.00 H new ATOM 0 HG2 LYS A 95 10.434 2.864 -10.568 1.00 0.00 H new ATOM 0 HG3 LYS A 95 9.322 1.965 -11.582 1.00 0.00 H new ATOM 0 HD2 LYS A 95 8.561 3.838 -12.638 1.00 0.00 H new ATOM 0 HD3 LYS A 95 8.501 4.773 -11.157 1.00 0.00 H new ATOM 0 HE2 LYS A 95 11.070 4.107 -12.649 1.00 0.00 H new ATOM 0 HE3 LYS A 95 10.181 5.604 -12.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 11.734 6.157 -11.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 10.415 5.746 -10.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 11.685 4.641 -10.502 1.00 0.00 H new ATOM 409 N LEU A 96 6.480 1.508 -7.758 1.00 0.00 N ATOM 410 CA LEU A 96 5.703 1.558 -6.528 1.00 0.00 C ATOM 411 C LEU A 96 5.946 0.310 -5.688 1.00 0.00 C ATOM 412 O LEU A 96 6.390 0.391 -4.542 1.00 0.00 O ATOM 413 CB LEU A 96 4.214 1.677 -6.858 1.00 0.00 C ATOM 414 CG LEU A 96 3.589 3.024 -6.532 1.00 0.00 C ATOM 415 CD1 LEU A 96 2.567 3.415 -7.592 1.00 0.00 C ATOM 416 CD2 LEU A 96 2.951 2.990 -5.153 1.00 0.00 C ATOM 0 H LEU A 96 5.924 1.591 -8.609 1.00 0.00 H new ATOM 0 HA LEU A 96 6.018 2.430 -5.955 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.076 1.477 -7.921 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.674 0.902 -6.315 1.00 0.00 H new ATOM 0 HG LEU A 96 4.376 3.778 -6.529 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.132 4.382 -7.339 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.057 3.481 -8.563 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.779 2.663 -7.633 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.508 3.961 -4.933 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.176 2.224 -5.129 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.711 2.761 -4.406 1.00 0.00 H new ATOM 428 N VAL A 97 5.653 -0.846 -6.272 1.00 0.00 N ATOM 429 CA VAL A 97 5.839 -2.118 -5.589 1.00 0.00 C ATOM 430 C VAL A 97 7.264 -2.251 -5.062 1.00 0.00 C ATOM 431 O VAL A 97 7.498 -2.860 -4.018 1.00 0.00 O ATOM 432 CB VAL A 97 5.532 -3.302 -6.525 1.00 0.00 C ATOM 433 CG1 VAL A 97 6.492 -3.317 -7.701 1.00 0.00 C ATOM 434 CG2 VAL A 97 5.594 -4.615 -5.762 1.00 0.00 C ATOM 0 H VAL A 97 5.285 -0.927 -7.220 1.00 0.00 H new ATOM 0 HA VAL A 97 5.143 -2.138 -4.751 1.00 0.00 H new ATOM 0 HB VAL A 97 4.521 -3.180 -6.913 1.00 0.00 H new ATOM 0 HG11 VAL A 97 6.259 -4.161 -8.350 1.00 0.00 H new ATOM 0 HG12 VAL A 97 6.393 -2.388 -8.263 1.00 0.00 H new ATOM 0 HG13 VAL A 97 7.514 -3.413 -7.335 1.00 0.00 H new ATOM 0 HG21 VAL A 97 5.374 -5.440 -6.439 1.00 0.00 H new ATOM 0 HG22 VAL A 97 6.592 -4.745 -5.343 1.00 0.00 H new ATOM 0 HG23 VAL A 97 4.860 -4.602 -4.956 1.00 0.00 H new ATOM 444 N ASP A 98 8.212 -1.672 -5.792 1.00 0.00 N ATOM 445 CA ASP A 98 9.614 -1.719 -5.398 1.00 0.00 C ATOM 446 C ASP A 98 9.808 -1.091 -4.023 1.00 0.00 C ATOM 447 O ASP A 98 10.698 -1.486 -3.269 1.00 0.00 O ATOM 448 CB ASP A 98 10.482 -0.996 -6.430 1.00 0.00 C ATOM 449 CG ASP A 98 11.960 -1.276 -6.241 1.00 0.00 C ATOM 450 OD1 ASP A 98 12.347 -1.694 -5.129 1.00 0.00 O ATOM 451 OD2 ASP A 98 12.730 -1.078 -7.204 1.00 0.00 O1- ATOM 0 H ASP A 98 8.034 -1.165 -6.659 1.00 0.00 H new ATOM 0 HA ASP A 98 9.919 -2.764 -5.349 1.00 0.00 H new ATOM 0 HB2 ASP A 98 10.182 -1.303 -7.432 1.00 0.00 H new ATOM 0 HB3 ASP A 98 10.307 0.078 -6.360 1.00 0.00 H new ATOM 456 N GLN A 99 8.967 -0.113 -3.701 1.00 0.00 N ATOM 457 CA GLN A 99 9.047 0.564 -2.413 1.00 0.00 C ATOM 458 C GLN A 99 8.549 -0.345 -1.295 1.00 0.00 C ATOM 459 O GLN A 99 9.113 -0.363 -0.202 1.00 0.00 O ATOM 460 CB GLN A 99 8.232 1.860 -2.438 1.00 0.00 C ATOM 461 CG GLN A 99 9.048 3.084 -2.821 1.00 0.00 C ATOM 462 CD GLN A 99 9.822 3.657 -1.650 1.00 0.00 C ATOM 463 OE1 GLN A 99 9.615 3.264 -0.502 1.00 0.00 O ATOM 464 NE2 GLN A 99 10.720 4.592 -1.935 1.00 0.00 N ATOM 0 H GLN A 99 8.225 0.227 -4.313 1.00 0.00 H new ATOM 0 HA GLN A 99 10.092 0.809 -2.222 1.00 0.00 H new ATOM 0 HB2 GLN A 99 7.408 1.748 -3.143 1.00 0.00 H new ATOM 0 HB3 GLN A 99 7.791 2.021 -1.454 1.00 0.00 H new ATOM 0 HG2 GLN A 99 9.744 2.818 -3.617 1.00 0.00 H new ATOM 0 HG3 GLN A 99 8.383 3.849 -3.222 1.00 0.00 H new ATOM 0 HE21 GLN A 99 10.859 4.888 -2.901 1.00 0.00 H new ATOM 0 HE22 GLN A 99 11.271 5.015 -1.188 1.00 0.00 H new ATOM 473 N ILE A 100 7.490 -1.099 -1.577 1.00 0.00 N ATOM 474 CA ILE A 100 6.918 -2.010 -0.594 1.00 0.00 C ATOM 475 C ILE A 100 7.877 -3.136 -0.276 1.00 0.00 C ATOM 476 O ILE A 100 8.346 -3.270 0.854 1.00 0.00 O ATOM 477 CB ILE A 100 5.597 -2.627 -1.085 1.00 0.00 C ATOM 478 CG1 ILE A 100 4.785 -1.622 -1.905 1.00 0.00 C ATOM 479 CG2 ILE A 100 4.787 -3.115 0.098 1.00 0.00 C ATOM 480 CD1 ILE A 100 4.648 -0.276 -1.234 1.00 0.00 C ATOM 0 H ILE A 100 7.012 -1.096 -2.478 1.00 0.00 H new ATOM 0 HA ILE A 100 6.727 -1.417 0.300 1.00 0.00 H new ATOM 0 HB ILE A 100 5.834 -3.471 -1.733 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.260 -1.489 -2.877 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.792 -2.032 -2.089 1.00 0.00 H new ATOM 0 HG21 ILE A 100 3.853 -3.551 -0.256 1.00 0.00 H new ATOM 0 HG22 ILE A 100 5.356 -3.869 0.642 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.569 -2.277 0.760 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.062 0.389 -1.868 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.146 -0.397 -0.274 1.00 0.00 H new ATOM 0 HD13 ILE A 100 5.637 0.154 -1.075 1.00 0.00 H new ATOM 492 N GLU A 101 8.176 -3.937 -1.287 1.00 0.00 N ATOM 493 CA GLU A 101 9.100 -5.053 -1.124 1.00 0.00 C ATOM 494 C GLU A 101 10.379 -4.580 -0.441 1.00 0.00 C ATOM 495 O GLU A 101 11.086 -5.359 0.198 1.00 0.00 O ATOM 496 CB GLU A 101 9.427 -5.681 -2.480 1.00 0.00 C ATOM 497 CG GLU A 101 10.389 -6.855 -2.391 1.00 0.00 C ATOM 498 CD GLU A 101 11.841 -6.418 -2.372 1.00 0.00 C ATOM 499 OE1 GLU A 101 12.193 -5.494 -3.134 1.00 0.00 O1- ATOM 500 OE2 GLU A 101 12.626 -7.001 -1.594 1.00 0.00 O ATOM 0 H GLU A 101 7.794 -3.837 -2.228 1.00 0.00 H new ATOM 0 HA GLU A 101 8.624 -5.809 -0.499 1.00 0.00 H new ATOM 0 HB2 GLU A 101 8.501 -6.015 -2.949 1.00 0.00 H new ATOM 0 HB3 GLU A 101 9.856 -4.919 -3.130 1.00 0.00 H new ATOM 0 HG2 GLU A 101 10.174 -7.429 -1.489 1.00 0.00 H new ATOM 0 HG3 GLU A 101 10.224 -7.520 -3.239 1.00 0.00 H new ATOM 507 N PHE A 102 10.652 -3.284 -0.567 1.00 0.00 N ATOM 508 CA PHE A 102 11.824 -2.680 0.050 1.00 0.00 C ATOM 509 C PHE A 102 11.501 -2.299 1.488 1.00 0.00 C ATOM 510 O PHE A 102 12.265 -2.574 2.412 1.00 0.00 O ATOM 511 CB PHE A 102 12.253 -1.442 -0.746 1.00 0.00 C ATOM 512 CG PHE A 102 13.148 -0.500 0.010 1.00 0.00 C ATOM 513 CD1 PHE A 102 12.615 0.398 0.923 1.00 0.00 C ATOM 514 CD2 PHE A 102 14.519 -0.510 -0.193 1.00 0.00 C ATOM 515 CE1 PHE A 102 13.433 1.267 1.619 1.00 0.00 C ATOM 516 CE2 PHE A 102 15.342 0.358 0.501 1.00 0.00 C ATOM 517 CZ PHE A 102 14.798 1.247 1.407 1.00 0.00 C ATOM 0 H PHE A 102 10.072 -2.631 -1.094 1.00 0.00 H new ATOM 0 HA PHE A 102 12.646 -3.396 0.048 1.00 0.00 H new ATOM 0 HB2 PHE A 102 12.768 -1.766 -1.650 1.00 0.00 H new ATOM 0 HB3 PHE A 102 11.361 -0.901 -1.063 1.00 0.00 H new ATOM 0 HD1 PHE A 102 11.548 0.418 1.092 1.00 0.00 H new ATOM 0 HD2 PHE A 102 14.949 -1.203 -0.901 1.00 0.00 H new ATOM 0 HE1 PHE A 102 13.006 1.961 2.328 1.00 0.00 H new ATOM 0 HE2 PHE A 102 16.409 0.341 0.335 1.00 0.00 H new ATOM 0 HZ PHE A 102 15.439 1.926 1.949 1.00 0.00 H new ATOM 527 N TYR A 103 10.350 -1.665 1.651 1.00 0.00 N ATOM 528 CA TYR A 103 9.879 -1.230 2.956 1.00 0.00 C ATOM 529 C TYR A 103 9.755 -2.412 3.912 1.00 0.00 C ATOM 530 O TYR A 103 10.314 -2.406 5.008 1.00 0.00 O ATOM 531 CB TYR A 103 8.520 -0.535 2.807 1.00 0.00 C ATOM 532 CG TYR A 103 7.438 -1.118 3.690 1.00 0.00 C ATOM 533 CD1 TYR A 103 7.329 -0.723 5.012 1.00 0.00 C ATOM 534 CD2 TYR A 103 6.541 -2.068 3.210 1.00 0.00 C ATOM 535 CE1 TYR A 103 6.361 -1.249 5.838 1.00 0.00 C ATOM 536 CE2 TYR A 103 5.564 -2.600 4.032 1.00 0.00 C ATOM 537 CZ TYR A 103 5.479 -2.186 5.346 1.00 0.00 C ATOM 538 OH TYR A 103 4.513 -2.715 6.169 1.00 0.00 O ATOM 0 H TYR A 103 9.717 -1.438 0.884 1.00 0.00 H new ATOM 0 HA TYR A 103 10.604 -0.530 3.371 1.00 0.00 H new ATOM 0 HB2 TYR A 103 8.636 0.523 3.040 1.00 0.00 H new ATOM 0 HB3 TYR A 103 8.201 -0.599 1.767 1.00 0.00 H new ATOM 0 HD1 TYR A 103 8.017 0.012 5.403 1.00 0.00 H new ATOM 0 HD2 TYR A 103 6.609 -2.394 2.183 1.00 0.00 H new ATOM 0 HE1 TYR A 103 6.293 -0.928 6.867 1.00 0.00 H new ATOM 0 HE2 TYR A 103 4.872 -3.335 3.648 1.00 0.00 H new ATOM 0 HH TYR A 103 4.417 -3.673 5.987 1.00 0.00 H new ATOM 548 N PHE A 104 8.985 -3.410 3.493 1.00 0.00 N ATOM 549 CA PHE A 104 8.744 -4.591 4.315 1.00 0.00 C ATOM 550 C PHE A 104 9.979 -5.484 4.440 1.00 0.00 C ATOM 551 O PHE A 104 9.916 -6.540 5.071 1.00 0.00 O ATOM 552 CB PHE A 104 7.574 -5.400 3.745 1.00 0.00 C ATOM 553 CG PHE A 104 6.555 -5.806 4.774 1.00 0.00 C ATOM 554 CD1 PHE A 104 6.949 -6.339 5.991 1.00 0.00 C ATOM 555 CD2 PHE A 104 5.201 -5.653 4.522 1.00 0.00 C ATOM 556 CE1 PHE A 104 6.013 -6.711 6.937 1.00 0.00 C ATOM 557 CE2 PHE A 104 4.260 -6.023 5.464 1.00 0.00 C ATOM 558 CZ PHE A 104 4.667 -6.552 6.674 1.00 0.00 C ATOM 0 H PHE A 104 8.516 -3.425 2.587 1.00 0.00 H new ATOM 0 HA PHE A 104 8.499 -4.236 5.316 1.00 0.00 H new ATOM 0 HB2 PHE A 104 7.080 -4.811 2.972 1.00 0.00 H new ATOM 0 HB3 PHE A 104 7.965 -6.296 3.262 1.00 0.00 H new ATOM 0 HD1 PHE A 104 8.001 -6.465 6.203 1.00 0.00 H new ATOM 0 HD2 PHE A 104 4.877 -5.240 3.578 1.00 0.00 H new ATOM 0 HE1 PHE A 104 6.334 -7.126 7.881 1.00 0.00 H new ATOM 0 HE2 PHE A 104 3.208 -5.899 5.255 1.00 0.00 H new ATOM 0 HZ PHE A 104 3.934 -6.840 7.412 1.00 0.00 H new ATOM 568 N SER A 105 11.105 -5.064 3.875 1.00 0.00 N ATOM 569 CA SER A 105 12.327 -5.850 3.985 1.00 0.00 C ATOM 570 C SER A 105 12.722 -5.977 5.456 1.00 0.00 C ATOM 571 O SER A 105 12.649 -5.005 6.205 1.00 0.00 O ATOM 572 CB SER A 105 13.461 -5.201 3.189 1.00 0.00 C ATOM 573 OG SER A 105 14.358 -6.178 2.690 1.00 0.00 O ATOM 0 H SER A 105 11.197 -4.198 3.344 1.00 0.00 H new ATOM 0 HA SER A 105 12.146 -6.842 3.572 1.00 0.00 H new ATOM 0 HB2 SER A 105 13.046 -4.627 2.361 1.00 0.00 H new ATOM 0 HB3 SER A 105 14.000 -4.499 3.825 1.00 0.00 H new ATOM 0 HG SER A 105 15.072 -5.738 2.184 1.00 0.00 H new ATOM 579 N ASP A 106 13.121 -7.178 5.869 1.00 0.00 N ATOM 580 CA ASP A 106 13.510 -7.433 7.260 1.00 0.00 C ATOM 581 C ASP A 106 14.317 -6.271 7.855 1.00 0.00 C ATOM 582 O ASP A 106 13.923 -5.670 8.861 1.00 0.00 O ATOM 583 CB ASP A 106 14.321 -8.730 7.344 1.00 0.00 C ATOM 584 CG ASP A 106 15.400 -8.817 6.281 1.00 0.00 C ATOM 585 OD1 ASP A 106 15.061 -8.722 5.083 1.00 0.00 O ATOM 586 OD2 ASP A 106 16.583 -8.979 6.648 1.00 0.00 O1- ATOM 0 H ASP A 106 13.185 -7.994 5.260 1.00 0.00 H new ATOM 0 HA ASP A 106 12.596 -7.531 7.845 1.00 0.00 H new ATOM 0 HB2 ASP A 106 14.781 -8.803 8.329 1.00 0.00 H new ATOM 0 HB3 ASP A 106 13.648 -9.581 7.243 1.00 0.00 H new ATOM 591 N GLU A 107 15.443 -5.961 7.222 1.00 0.00 N ATOM 592 CA GLU A 107 16.315 -4.880 7.670 1.00 0.00 C ATOM 593 C GLU A 107 15.635 -3.523 7.553 1.00 0.00 C ATOM 594 O GLU A 107 16.075 -2.539 8.148 1.00 0.00 O ATOM 595 CB GLU A 107 17.586 -4.872 6.834 1.00 0.00 C ATOM 596 CG GLU A 107 18.417 -6.130 6.990 1.00 0.00 C ATOM 597 CD GLU A 107 19.144 -6.190 8.320 1.00 0.00 C ATOM 598 OE1 GLU A 107 18.469 -6.351 9.358 1.00 0.00 O1- ATOM 599 OE2 GLU A 107 20.387 -6.076 8.322 1.00 0.00 O ATOM 0 H GLU A 107 15.776 -6.448 6.390 1.00 0.00 H new ATOM 0 HA GLU A 107 16.550 -5.055 8.720 1.00 0.00 H new ATOM 0 HB2 GLU A 107 17.321 -4.749 5.784 1.00 0.00 H new ATOM 0 HB3 GLU A 107 18.190 -4.009 7.114 1.00 0.00 H new ATOM 0 HG2 GLU A 107 17.770 -7.002 6.895 1.00 0.00 H new ATOM 0 HG3 GLU A 107 19.145 -6.183 6.180 1.00 0.00 H new ATOM 606 N ASN A 108 14.569 -3.481 6.776 1.00 0.00 N ATOM 607 CA ASN A 108 13.822 -2.250 6.560 1.00 0.00 C ATOM 608 C ASN A 108 12.723 -2.098 7.599 1.00 0.00 C ATOM 609 O ASN A 108 12.224 -0.998 7.827 1.00 0.00 O ATOM 610 CB ASN A 108 13.226 -2.226 5.153 1.00 0.00 C ATOM 611 CG ASN A 108 14.211 -1.717 4.119 1.00 0.00 C ATOM 612 OD1 ASN A 108 14.716 -2.481 3.296 1.00 0.00 O ATOM 613 ND2 ASN A 108 14.491 -0.419 4.156 1.00 0.00 N ATOM 0 H ASN A 108 14.197 -4.290 6.279 1.00 0.00 H new ATOM 0 HA ASN A 108 14.511 -1.412 6.662 1.00 0.00 H new ATOM 0 HB2 ASN A 108 12.903 -3.231 4.880 1.00 0.00 H new ATOM 0 HB3 ASN A 108 12.338 -1.594 5.148 1.00 0.00 H new ATOM 0 HD21 ASN A 108 15.147 -0.020 3.485 1.00 0.00 H new ATOM 0 HD22 ASN A 108 14.050 0.178 4.855 1.00 0.00 H new ATOM 620 N LEU A 109 12.357 -3.203 8.238 1.00 0.00 N ATOM 621 CA LEU A 109 11.343 -3.190 9.255 1.00 0.00 C ATOM 622 C LEU A 109 11.867 -2.484 10.482 1.00 0.00 C ATOM 623 O LEU A 109 11.264 -1.532 10.976 1.00 0.00 O ATOM 624 CB LEU A 109 10.972 -4.610 9.591 1.00 0.00 C ATOM 625 CG LEU A 109 9.872 -5.204 8.731 1.00 0.00 C ATOM 626 CD1 LEU A 109 8.547 -5.092 9.453 1.00 0.00 C ATOM 627 CD2 LEU A 109 9.791 -4.522 7.377 1.00 0.00 C ATOM 0 H LEU A 109 12.760 -4.123 8.058 1.00 0.00 H new ATOM 0 HA LEU A 109 10.461 -2.660 8.896 1.00 0.00 H new ATOM 0 HB2 LEU A 109 11.861 -5.234 9.500 1.00 0.00 H new ATOM 0 HB3 LEU A 109 10.660 -4.651 10.634 1.00 0.00 H new ATOM 0 HG LEU A 109 10.106 -6.254 8.556 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.758 -5.519 8.834 1.00 0.00 H new ATOM 0 HD12 LEU A 109 8.600 -5.634 10.397 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.327 -4.043 9.648 1.00 0.00 H new ATOM 0 HD21 LEU A 109 8.992 -4.974 6.789 1.00 0.00 H new ATOM 0 HD22 LEU A 109 9.584 -3.461 7.516 1.00 0.00 H new ATOM 0 HD23 LEU A 109 10.739 -4.641 6.853 1.00 0.00 H new ATOM 639 N GLU A 110 13.022 -2.943 10.954 1.00 0.00 N ATOM 640 CA GLU A 110 13.661 -2.356 12.089 1.00 0.00 C ATOM 641 C GLU A 110 13.860 -0.856 11.879 1.00 0.00 C ATOM 642 O GLU A 110 14.167 -0.121 12.818 1.00 0.00 O ATOM 643 CB GLU A 110 15.014 -3.027 12.309 1.00 0.00 C ATOM 644 CG GLU A 110 14.976 -4.549 12.325 1.00 0.00 C ATOM 645 CD GLU A 110 16.363 -5.163 12.318 1.00 0.00 C ATOM 646 OE1 GLU A 110 17.243 -4.649 13.040 1.00 0.00 O1- ATOM 647 OE2 GLU A 110 16.569 -6.156 11.590 1.00 0.00 O ATOM 0 H GLU A 110 13.527 -3.732 10.550 1.00 0.00 H new ATOM 0 HA GLU A 110 13.028 -2.502 12.964 1.00 0.00 H new ATOM 0 HB2 GLU A 110 15.697 -2.703 11.524 1.00 0.00 H new ATOM 0 HB3 GLU A 110 15.428 -2.678 13.255 1.00 0.00 H new ATOM 0 HG2 GLU A 110 14.437 -4.887 13.210 1.00 0.00 H new ATOM 0 HG3 GLU A 110 14.420 -4.905 11.458 1.00 0.00 H new ATOM 654 N LYS A 111 13.705 -0.415 10.631 1.00 0.00 N ATOM 655 CA LYS A 111 13.889 0.982 10.283 1.00 0.00 C ATOM 656 C LYS A 111 12.599 1.615 9.753 1.00 0.00 C ATOM 657 O LYS A 111 12.523 2.833 9.598 1.00 0.00 O ATOM 658 CB LYS A 111 15.014 1.084 9.243 1.00 0.00 C ATOM 659 CG LYS A 111 14.661 1.888 8.001 1.00 0.00 C ATOM 660 CD LYS A 111 15.870 2.083 7.099 1.00 0.00 C ATOM 661 CE LYS A 111 16.348 0.765 6.509 1.00 0.00 C ATOM 662 NZ LYS A 111 17.828 0.622 6.596 1.00 0.00 N1+ ATOM 0 H LYS A 111 13.451 -1.013 9.845 1.00 0.00 H new ATOM 0 HA LYS A 111 14.160 1.536 11.182 1.00 0.00 H new ATOM 0 HB2 LYS A 111 15.887 1.535 9.715 1.00 0.00 H new ATOM 0 HB3 LYS A 111 15.301 0.078 8.938 1.00 0.00 H new ATOM 0 HG2 LYS A 111 13.872 1.378 7.448 1.00 0.00 H new ATOM 0 HG3 LYS A 111 14.266 2.860 8.296 1.00 0.00 H new ATOM 0 HD2 LYS A 111 15.616 2.772 6.293 1.00 0.00 H new ATOM 0 HD3 LYS A 111 16.679 2.542 7.668 1.00 0.00 H new ATOM 0 HE2 LYS A 111 15.872 -0.062 7.035 1.00 0.00 H new ATOM 0 HE3 LYS A 111 16.038 0.700 5.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 18.114 -0.289 6.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 18.283 1.397 6.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 18.122 0.658 7.593 1.00 0.00 H new ATOM 676 N ASP A 112 11.598 0.792 9.449 1.00 0.00 N ATOM 677 CA ASP A 112 10.346 1.307 8.905 1.00 0.00 C ATOM 678 C ASP A 112 9.156 1.007 9.801 1.00 0.00 C ATOM 679 O ASP A 112 8.234 0.281 9.423 1.00 0.00 O ATOM 680 CB ASP A 112 10.113 0.734 7.522 1.00 0.00 C ATOM 681 CG ASP A 112 9.049 1.491 6.762 1.00 0.00 C ATOM 682 OD1 ASP A 112 7.969 1.736 7.340 1.00 0.00 O1- ATOM 683 OD2 ASP A 112 9.292 1.841 5.587 1.00 0.00 O ATOM 0 H ASP A 112 11.628 -0.221 9.568 1.00 0.00 H new ATOM 0 HA ASP A 112 10.438 2.392 8.847 1.00 0.00 H new ATOM 0 HB2 ASP A 112 11.046 0.758 6.959 1.00 0.00 H new ATOM 0 HB3 ASP A 112 9.820 -0.312 7.609 1.00 0.00 H new ATOM 688 N ALA A 113 9.180 1.592 10.979 1.00 0.00 N ATOM 689 CA ALA A 113 8.102 1.423 11.945 1.00 0.00 C ATOM 690 C ALA A 113 6.909 2.324 11.613 1.00 0.00 C ATOM 691 O ALA A 113 5.867 2.244 12.261 1.00 0.00 O ATOM 692 CB ALA A 113 8.607 1.708 13.351 1.00 0.00 C ATOM 0 H ALA A 113 9.938 2.195 11.298 1.00 0.00 H new ATOM 0 HA ALA A 113 7.762 0.389 11.893 1.00 0.00 H new ATOM 0 HB1 ALA A 113 7.792 1.578 14.063 1.00 0.00 H new ATOM 0 HB2 ALA A 113 9.415 1.018 13.594 1.00 0.00 H new ATOM 0 HB3 ALA A 113 8.976 2.732 13.404 1.00 0.00 H new ATOM 698 N PHE A 114 7.071 3.193 10.614 1.00 0.00 N ATOM 699 CA PHE A 114 6.004 4.113 10.224 1.00 0.00 C ATOM 700 C PHE A 114 4.972 3.443 9.317 1.00 0.00 C ATOM 701 O PHE A 114 3.771 3.645 9.487 1.00 0.00 O ATOM 702 CB PHE A 114 6.588 5.349 9.530 1.00 0.00 C ATOM 703 CG PHE A 114 7.606 5.028 8.474 1.00 0.00 C ATOM 704 CD1 PHE A 114 7.212 4.532 7.243 1.00 0.00 C ATOM 705 CD2 PHE A 114 8.957 5.220 8.714 1.00 0.00 C ATOM 706 CE1 PHE A 114 8.143 4.230 6.271 1.00 0.00 C ATOM 707 CE2 PHE A 114 9.896 4.921 7.744 1.00 0.00 C ATOM 708 CZ PHE A 114 9.488 4.424 6.521 1.00 0.00 C ATOM 0 H PHE A 114 7.926 3.278 10.064 1.00 0.00 H new ATOM 0 HA PHE A 114 5.493 4.419 11.137 1.00 0.00 H new ATOM 0 HB2 PHE A 114 5.776 5.917 9.077 1.00 0.00 H new ATOM 0 HB3 PHE A 114 7.047 5.992 10.281 1.00 0.00 H new ATOM 0 HD1 PHE A 114 6.162 4.380 7.041 1.00 0.00 H new ATOM 0 HD2 PHE A 114 9.280 5.607 9.669 1.00 0.00 H new ATOM 0 HE1 PHE A 114 7.821 3.842 5.316 1.00 0.00 H new ATOM 0 HE2 PHE A 114 10.946 5.076 7.942 1.00 0.00 H new ATOM 0 HZ PHE A 114 10.219 4.188 5.762 1.00 0.00 H new ATOM 718 N LEU A 115 5.435 2.650 8.352 1.00 0.00 N ATOM 719 CA LEU A 115 4.529 1.968 7.429 1.00 0.00 C ATOM 720 C LEU A 115 4.006 0.673 8.042 1.00 0.00 C ATOM 721 O LEU A 115 2.918 0.209 7.699 1.00 0.00 O ATOM 722 CB LEU A 115 5.227 1.683 6.092 1.00 0.00 C ATOM 723 CG LEU A 115 4.388 0.910 5.065 1.00 0.00 C ATOM 724 CD1 LEU A 115 3.049 1.596 4.839 1.00 0.00 C ATOM 725 CD2 LEU A 115 5.142 0.766 3.745 1.00 0.00 C ATOM 0 H LEU A 115 6.425 2.465 8.189 1.00 0.00 H new ATOM 0 HA LEU A 115 3.681 2.627 7.241 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.529 2.632 5.649 1.00 0.00 H new ATOM 0 HB3 LEU A 115 6.139 1.119 6.290 1.00 0.00 H new ATOM 0 HG LEU A 115 4.202 -0.087 5.464 1.00 0.00 H new ATOM 0 HD11 LEU A 115 2.470 1.032 4.108 1.00 0.00 H new ATOM 0 HD12 LEU A 115 2.500 1.641 5.780 1.00 0.00 H new ATOM 0 HD13 LEU A 115 3.216 2.607 4.468 1.00 0.00 H new ATOM 0 HD21 LEU A 115 4.527 0.215 3.033 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.364 1.755 3.343 1.00 0.00 H new ATOM 0 HD23 LEU A 115 6.073 0.226 3.915 1.00 0.00 H new ATOM 737 N LEU A 116 4.784 0.094 8.952 1.00 0.00 N ATOM 738 CA LEU A 116 4.393 -1.146 9.613 1.00 0.00 C ATOM 739 C LEU A 116 3.469 -0.867 10.796 1.00 0.00 C ATOM 740 O LEU A 116 2.384 -1.439 10.896 1.00 0.00 O ATOM 741 CB LEU A 116 5.632 -1.909 10.088 1.00 0.00 C ATOM 742 CG LEU A 116 5.342 -3.201 10.853 1.00 0.00 C ATOM 743 CD1 LEU A 116 5.147 -4.360 9.888 1.00 0.00 C ATOM 744 CD2 LEU A 116 6.466 -3.502 11.834 1.00 0.00 C ATOM 0 H LEU A 116 5.688 0.463 9.248 1.00 0.00 H new ATOM 0 HA LEU A 116 3.853 -1.757 8.890 1.00 0.00 H new ATOM 0 HB2 LEU A 116 6.247 -2.148 9.221 1.00 0.00 H new ATOM 0 HB3 LEU A 116 6.223 -1.252 10.726 1.00 0.00 H new ATOM 0 HG LEU A 116 4.420 -3.068 11.418 1.00 0.00 H new ATOM 0 HD11 LEU A 116 4.942 -5.271 10.450 1.00 0.00 H new ATOM 0 HD12 LEU A 116 4.308 -4.145 9.226 1.00 0.00 H new ATOM 0 HD13 LEU A 116 6.051 -4.496 9.295 1.00 0.00 H new ATOM 0 HD21 LEU A 116 6.244 -4.425 12.370 1.00 0.00 H new ATOM 0 HD22 LEU A 116 7.403 -3.616 11.290 1.00 0.00 H new ATOM 0 HD23 LEU A 116 6.557 -2.682 12.546 1.00 0.00 H new ATOM 922 N TYR A 126 -0.888 -6.355 8.624 1.00 0.00 N ATOM 923 CA TYR A 126 -1.534 -5.944 7.382 1.00 0.00 C ATOM 924 C TYR A 126 -1.371 -4.445 7.157 1.00 0.00 C ATOM 925 O TYR A 126 -1.725 -3.639 8.016 1.00 0.00 O ATOM 926 CB TYR A 126 -3.020 -6.311 7.414 1.00 0.00 C ATOM 927 CG TYR A 126 -3.397 -7.413 6.450 1.00 0.00 C ATOM 928 CD1 TYR A 126 -3.391 -7.194 5.078 1.00 0.00 C ATOM 929 CD2 TYR A 126 -3.760 -8.673 6.911 1.00 0.00 C ATOM 930 CE1 TYR A 126 -3.737 -8.198 4.193 1.00 0.00 C ATOM 931 CE2 TYR A 126 -4.106 -9.682 6.032 1.00 0.00 C ATOM 932 CZ TYR A 126 -4.093 -9.439 4.675 1.00 0.00 C ATOM 933 OH TYR A 126 -4.437 -10.441 3.797 1.00 0.00 O ATOM 0 HA TYR A 126 -1.054 -6.470 6.557 1.00 0.00 H new ATOM 0 HB2 TYR A 126 -3.287 -6.618 8.425 1.00 0.00 H new ATOM 0 HB3 TYR A 126 -3.609 -5.423 7.185 1.00 0.00 H new ATOM 0 HD1 TYR A 126 -3.111 -6.223 4.697 1.00 0.00 H new ATOM 0 HD2 TYR A 126 -3.772 -8.867 7.973 1.00 0.00 H new ATOM 0 HE1 TYR A 126 -3.728 -8.011 3.129 1.00 0.00 H new ATOM 0 HE2 TYR A 126 -4.385 -10.656 6.406 1.00 0.00 H new ATOM 0 HH TYR A 126 -4.660 -11.253 4.298 1.00 0.00 H new ATOM 943 N VAL A 127 -0.841 -4.074 5.994 1.00 0.00 N ATOM 944 CA VAL A 127 -0.642 -2.672 5.664 1.00 0.00 C ATOM 945 C VAL A 127 -1.798 -2.157 4.819 1.00 0.00 C ATOM 946 O VAL A 127 -2.075 -2.685 3.743 1.00 0.00 O ATOM 947 CB VAL A 127 0.679 -2.467 4.901 1.00 0.00 C ATOM 948 CG1 VAL A 127 0.847 -1.017 4.478 1.00 0.00 C ATOM 949 CG2 VAL A 127 1.855 -2.928 5.745 1.00 0.00 C ATOM 0 H VAL A 127 -0.543 -4.726 5.268 1.00 0.00 H new ATOM 0 HA VAL A 127 -0.599 -2.113 6.599 1.00 0.00 H new ATOM 0 HB VAL A 127 0.648 -3.073 3.996 1.00 0.00 H new ATOM 0 HG11 VAL A 127 1.789 -0.901 3.941 1.00 0.00 H new ATOM 0 HG12 VAL A 127 0.021 -0.730 3.828 1.00 0.00 H new ATOM 0 HG13 VAL A 127 0.852 -0.379 5.361 1.00 0.00 H new ATOM 0 HG21 VAL A 127 2.782 -2.776 5.191 1.00 0.00 H new ATOM 0 HG22 VAL A 127 1.887 -2.352 6.670 1.00 0.00 H new ATOM 0 HG23 VAL A 127 1.742 -3.986 5.980 1.00 0.00 H new ATOM 959 N SER A 128 -2.473 -1.128 5.312 1.00 0.00 N ATOM 960 CA SER A 128 -3.603 -0.558 4.597 1.00 0.00 C ATOM 961 C SER A 128 -3.136 0.365 3.476 1.00 0.00 C ATOM 962 O SER A 128 -2.420 1.340 3.714 1.00 0.00 O ATOM 963 CB SER A 128 -4.513 0.206 5.560 1.00 0.00 C ATOM 964 OG SER A 128 -3.783 0.700 6.670 1.00 0.00 O ATOM 0 H SER A 128 -2.258 -0.674 6.200 1.00 0.00 H new ATOM 0 HA SER A 128 -4.166 -1.379 4.152 1.00 0.00 H new ATOM 0 HB2 SER A 128 -4.988 1.035 5.035 1.00 0.00 H new ATOM 0 HB3 SER A 128 -5.311 -0.450 5.909 1.00 0.00 H new ATOM 0 HG SER A 128 -3.732 0.008 7.362 1.00 0.00 H new ATOM 970 N VAL A 129 -3.549 0.053 2.253 1.00 0.00 N ATOM 971 CA VAL A 129 -3.175 0.855 1.097 1.00 0.00 C ATOM 972 C VAL A 129 -3.652 2.297 1.255 1.00 0.00 C ATOM 973 O VAL A 129 -3.093 3.215 0.656 1.00 0.00 O ATOM 974 CB VAL A 129 -3.738 0.261 -0.213 1.00 0.00 C ATOM 975 CG1 VAL A 129 -5.214 0.595 -0.380 1.00 0.00 C ATOM 976 CG2 VAL A 129 -2.929 0.755 -1.404 1.00 0.00 C ATOM 0 H VAL A 129 -4.142 -0.749 2.038 1.00 0.00 H new ATOM 0 HA VAL A 129 -2.087 0.845 1.039 1.00 0.00 H new ATOM 0 HB VAL A 129 -3.652 -0.824 -0.162 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -5.582 0.163 -1.311 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -5.777 0.184 0.458 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -5.341 1.677 -0.407 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -3.335 0.329 -2.322 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -2.982 1.843 -1.454 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -1.890 0.447 -1.291 1.00 0.00 H new ATOM 986 N LYS A 130 -4.687 2.491 2.071 1.00 0.00 N ATOM 987 CA LYS A 130 -5.231 3.823 2.310 1.00 0.00 C ATOM 988 C LYS A 130 -4.123 4.781 2.731 1.00 0.00 C ATOM 989 O LYS A 130 -4.124 5.955 2.358 1.00 0.00 O ATOM 990 CB LYS A 130 -6.315 3.771 3.389 1.00 0.00 C ATOM 991 CG LYS A 130 -7.466 4.732 3.143 1.00 0.00 C ATOM 992 CD LYS A 130 -8.760 4.220 3.755 1.00 0.00 C ATOM 993 CE LYS A 130 -8.850 4.563 5.233 1.00 0.00 C ATOM 994 NZ LYS A 130 -10.185 4.229 5.801 1.00 0.00 N1+ ATOM 0 H LYS A 130 -5.163 1.743 2.576 1.00 0.00 H new ATOM 0 HA LYS A 130 -5.675 4.184 1.383 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -6.707 2.756 3.449 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -5.865 3.997 4.356 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -7.224 5.707 3.565 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -7.600 4.873 2.071 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -9.610 4.653 3.227 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -8.822 3.139 3.627 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -8.078 4.021 5.779 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -8.652 5.626 5.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -10.205 4.478 6.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -10.920 4.765 5.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -10.363 3.210 5.692 1.00 0.00 H new ATOM 1008 N LEU A 131 -3.171 4.265 3.501 1.00 0.00 N ATOM 1009 CA LEU A 131 -2.047 5.063 3.965 1.00 0.00 C ATOM 1010 C LEU A 131 -0.948 5.111 2.905 1.00 0.00 C ATOM 1011 O LEU A 131 -0.216 6.095 2.800 1.00 0.00 O ATOM 1012 CB LEU A 131 -1.514 4.512 5.293 1.00 0.00 C ATOM 1013 CG LEU A 131 -0.269 3.643 5.179 1.00 0.00 C ATOM 1014 CD1 LEU A 131 0.983 4.488 5.352 1.00 0.00 C ATOM 1015 CD2 LEU A 131 -0.305 2.511 6.195 1.00 0.00 C ATOM 0 H LEU A 131 -3.157 3.295 3.816 1.00 0.00 H new ATOM 0 HA LEU A 131 -2.390 6.084 4.136 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -1.294 5.350 5.954 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -2.302 3.929 5.769 1.00 0.00 H new ATOM 0 HG LEU A 131 -0.248 3.199 4.184 1.00 0.00 H new ATOM 0 HD11 LEU A 131 1.865 3.853 5.268 1.00 0.00 H new ATOM 0 HD12 LEU A 131 1.014 5.256 4.579 1.00 0.00 H new ATOM 0 HD13 LEU A 131 0.969 4.962 6.333 1.00 0.00 H new ATOM 0 HD21 LEU A 131 0.594 1.903 6.095 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -0.352 2.927 7.201 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -1.183 1.891 6.018 1.00 0.00 H new ATOM 1027 N LEU A 132 -0.842 4.040 2.118 1.00 0.00 N ATOM 1028 CA LEU A 132 0.163 3.961 1.064 1.00 0.00 C ATOM 1029 C LEU A 132 0.101 5.184 0.153 1.00 0.00 C ATOM 1030 O LEU A 132 1.129 5.678 -0.311 1.00 0.00 O ATOM 1031 CB LEU A 132 -0.037 2.688 0.241 1.00 0.00 C ATOM 1032 CG LEU A 132 0.811 1.492 0.678 1.00 0.00 C ATOM 1033 CD1 LEU A 132 0.760 1.317 2.188 1.00 0.00 C ATOM 1034 CD2 LEU A 132 0.341 0.227 -0.022 1.00 0.00 C ATOM 0 H LEU A 132 -1.440 3.217 2.192 1.00 0.00 H new ATOM 0 HA LEU A 132 1.146 3.935 1.535 1.00 0.00 H new ATOM 0 HB2 LEU A 132 -1.088 2.405 0.289 1.00 0.00 H new ATOM 0 HB3 LEU A 132 0.186 2.910 -0.803 1.00 0.00 H new ATOM 0 HG LEU A 132 1.846 1.683 0.393 1.00 0.00 H new ATOM 0 HD11 LEU A 132 1.370 0.461 2.476 1.00 0.00 H new ATOM 0 HD12 LEU A 132 1.144 2.215 2.672 1.00 0.00 H new ATOM 0 HD13 LEU A 132 -0.271 1.149 2.500 1.00 0.00 H new ATOM 0 HD21 LEU A 132 0.954 -0.615 0.299 1.00 0.00 H new ATOM 0 HD22 LEU A 132 -0.701 0.036 0.233 1.00 0.00 H new ATOM 0 HD23 LEU A 132 0.433 0.352 -1.101 1.00 0.00 H new ATOM 1046 N THR A 133 -1.111 5.668 -0.095 1.00 0.00 N ATOM 1047 CA THR A 133 -1.314 6.830 -0.943 1.00 0.00 C ATOM 1048 C THR A 133 -0.688 8.066 -0.318 1.00 0.00 C ATOM 1049 O THR A 133 -0.130 8.919 -1.009 1.00 0.00 O ATOM 1050 CB THR A 133 -2.806 7.050 -1.162 1.00 0.00 C ATOM 1051 OG1 THR A 133 -3.563 6.434 -0.134 1.00 0.00 O ATOM 1052 CG2 THR A 133 -3.284 6.498 -2.479 1.00 0.00 C ATOM 0 H THR A 133 -1.970 5.269 0.283 1.00 0.00 H new ATOM 0 HA THR A 133 -0.831 6.652 -1.904 1.00 0.00 H new ATOM 0 HB THR A 133 -2.952 8.130 -1.156 1.00 0.00 H new ATOM 0 HG1 THR A 133 -3.261 6.764 0.738 1.00 0.00 H new ATOM 0 HG21 THR A 133 -4.353 6.682 -2.584 1.00 0.00 H new ATOM 0 HG22 THR A 133 -2.750 6.987 -3.294 1.00 0.00 H new ATOM 0 HG23 THR A 133 -3.095 5.425 -2.514 1.00 0.00 H new ATOM 1060 N SER A 134 -0.776 8.139 0.999 1.00 0.00 N ATOM 1061 CA SER A 134 -0.209 9.252 1.748 1.00 0.00 C ATOM 1062 C SER A 134 1.128 8.842 2.354 1.00 0.00 C ATOM 1063 O SER A 134 1.580 9.415 3.346 1.00 0.00 O ATOM 1064 CB SER A 134 -1.172 9.700 2.849 1.00 0.00 C ATOM 1065 OG SER A 134 -2.086 8.668 3.179 1.00 0.00 O ATOM 0 H SER A 134 -1.238 7.436 1.577 1.00 0.00 H new ATOM 0 HA SER A 134 -0.049 10.088 1.067 1.00 0.00 H new ATOM 0 HB2 SER A 134 -0.607 9.987 3.736 1.00 0.00 H new ATOM 0 HB3 SER A 134 -1.719 10.583 2.520 1.00 0.00 H new ATOM 0 HG SER A 134 -2.689 8.979 3.886 1.00 0.00 H new ATOM 1071 N PHE A 135 1.748 7.836 1.747 1.00 0.00 N ATOM 1072 CA PHE A 135 3.030 7.323 2.211 1.00 0.00 C ATOM 1073 C PHE A 135 4.178 8.225 1.758 1.00 0.00 C ATOM 1074 O PHE A 135 4.467 8.333 0.567 1.00 0.00 O ATOM 1075 CB PHE A 135 3.217 5.896 1.695 1.00 0.00 C ATOM 1076 CG PHE A 135 4.464 5.207 2.183 1.00 0.00 C ATOM 1077 CD1 PHE A 135 5.179 5.701 3.264 1.00 0.00 C ATOM 1078 CD2 PHE A 135 4.914 4.053 1.560 1.00 0.00 C ATOM 1079 CE1 PHE A 135 6.317 5.059 3.711 1.00 0.00 C ATOM 1080 CE2 PHE A 135 6.052 3.407 2.002 1.00 0.00 C ATOM 1081 CZ PHE A 135 6.755 3.910 3.079 1.00 0.00 C ATOM 0 H PHE A 135 1.379 7.357 0.926 1.00 0.00 H new ATOM 0 HA PHE A 135 3.038 7.313 3.301 1.00 0.00 H new ATOM 0 HB2 PHE A 135 2.352 5.302 1.989 1.00 0.00 H new ATOM 0 HB3 PHE A 135 3.233 5.918 0.605 1.00 0.00 H new ATOM 0 HD1 PHE A 135 4.842 6.598 3.762 1.00 0.00 H new ATOM 0 HD2 PHE A 135 4.368 3.654 0.718 1.00 0.00 H new ATOM 0 HE1 PHE A 135 6.865 5.454 4.554 1.00 0.00 H new ATOM 0 HE2 PHE A 135 6.392 2.510 1.506 1.00 0.00 H new ATOM 0 HZ PHE A 135 7.645 3.407 3.427 1.00 0.00 H new ATOM 1091 N LYS A 136 4.812 8.886 2.725 1.00 0.00 N ATOM 1092 CA LYS A 136 5.920 9.804 2.454 1.00 0.00 C ATOM 1093 C LYS A 136 6.936 9.223 1.471 1.00 0.00 C ATOM 1094 O LYS A 136 7.582 9.964 0.730 1.00 0.00 O ATOM 1095 CB LYS A 136 6.623 10.175 3.761 1.00 0.00 C ATOM 1096 CG LYS A 136 5.829 11.140 4.627 1.00 0.00 C ATOM 1097 CD LYS A 136 5.624 10.594 6.031 1.00 0.00 C ATOM 1098 CE LYS A 136 6.622 11.189 7.012 1.00 0.00 C ATOM 1099 NZ LYS A 136 6.590 10.494 8.328 1.00 0.00 N1+ ATOM 0 H LYS A 136 4.575 8.802 3.714 1.00 0.00 H new ATOM 0 HA LYS A 136 5.492 10.694 1.993 1.00 0.00 H new ATOM 0 HB2 LYS A 136 6.818 9.266 4.330 1.00 0.00 H new ATOM 0 HB3 LYS A 136 7.591 10.620 3.530 1.00 0.00 H new ATOM 0 HG2 LYS A 136 6.351 12.095 4.680 1.00 0.00 H new ATOM 0 HG3 LYS A 136 4.860 11.331 4.165 1.00 0.00 H new ATOM 0 HD2 LYS A 136 4.610 10.814 6.364 1.00 0.00 H new ATOM 0 HD3 LYS A 136 5.727 9.509 6.019 1.00 0.00 H new ATOM 0 HE2 LYS A 136 7.626 11.125 6.592 1.00 0.00 H new ATOM 0 HE3 LYS A 136 6.403 12.247 7.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 7.285 10.930 8.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 5.639 10.577 8.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 6.824 9.489 8.196 1.00 0.00 H new ATOM 1113 N LYS A 137 7.079 7.902 1.463 1.00 0.00 N ATOM 1114 CA LYS A 137 8.023 7.249 0.564 1.00 0.00 C ATOM 1115 C LYS A 137 7.448 7.162 -0.841 1.00 0.00 C ATOM 1116 O LYS A 137 8.181 7.195 -1.829 1.00 0.00 O ATOM 1117 CB LYS A 137 8.369 5.850 1.074 1.00 0.00 C ATOM 1118 CG LYS A 137 9.093 5.850 2.410 1.00 0.00 C ATOM 1119 CD LYS A 137 10.551 6.249 2.252 1.00 0.00 C ATOM 1120 CE LYS A 137 11.084 6.927 3.505 1.00 0.00 C ATOM 1121 NZ LYS A 137 11.942 6.013 4.308 1.00 0.00 N1+ ATOM 0 H LYS A 137 6.557 7.266 2.065 1.00 0.00 H new ATOM 0 HA LYS A 137 8.934 7.847 0.534 1.00 0.00 H new ATOM 0 HB2 LYS A 137 7.451 5.270 1.168 1.00 0.00 H new ATOM 0 HB3 LYS A 137 8.990 5.346 0.334 1.00 0.00 H new ATOM 0 HG2 LYS A 137 8.598 6.540 3.094 1.00 0.00 H new ATOM 0 HG3 LYS A 137 9.032 4.858 2.858 1.00 0.00 H new ATOM 0 HD2 LYS A 137 11.149 5.365 2.033 1.00 0.00 H new ATOM 0 HD3 LYS A 137 10.655 6.922 1.401 1.00 0.00 H new ATOM 0 HE2 LYS A 137 11.658 7.810 3.224 1.00 0.00 H new ATOM 0 HE3 LYS A 137 10.249 7.271 4.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 12.174 6.463 5.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 11.433 5.123 4.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 12.819 5.813 3.787 1.00 0.00 H new ATOM 1135 N VAL A 138 6.128 7.058 -0.920 1.00 0.00 N ATOM 1136 CA VAL A 138 5.448 6.975 -2.200 1.00 0.00 C ATOM 1137 C VAL A 138 5.202 8.372 -2.762 1.00 0.00 C ATOM 1138 O VAL A 138 5.438 8.632 -3.941 1.00 0.00 O ATOM 1139 CB VAL A 138 4.109 6.215 -2.070 1.00 0.00 C ATOM 1140 CG1 VAL A 138 3.241 6.416 -3.304 1.00 0.00 C ATOM 1141 CG2 VAL A 138 4.363 4.734 -1.824 1.00 0.00 C ATOM 0 H VAL A 138 5.509 7.029 -0.110 1.00 0.00 H new ATOM 0 HA VAL A 138 6.090 6.423 -2.886 1.00 0.00 H new ATOM 0 HB VAL A 138 3.569 6.622 -1.215 1.00 0.00 H new ATOM 0 HG11 VAL A 138 2.306 5.870 -3.184 1.00 0.00 H new ATOM 0 HG12 VAL A 138 3.028 7.477 -3.430 1.00 0.00 H new ATOM 0 HG13 VAL A 138 3.767 6.045 -4.183 1.00 0.00 H new ATOM 0 HG21 VAL A 138 3.411 4.211 -1.735 1.00 0.00 H new ATOM 0 HG22 VAL A 138 4.928 4.318 -2.658 1.00 0.00 H new ATOM 0 HG23 VAL A 138 4.932 4.611 -0.903 1.00 0.00 H new ATOM 1151 N LYS A 139 4.728 9.268 -1.904 1.00 0.00 N ATOM 1152 CA LYS A 139 4.452 10.643 -2.304 1.00 0.00 C ATOM 1153 C LYS A 139 5.681 11.287 -2.936 1.00 0.00 C ATOM 1154 O LYS A 139 5.567 12.107 -3.846 1.00 0.00 O ATOM 1155 CB LYS A 139 4.015 11.467 -1.096 1.00 0.00 C ATOM 1156 CG LYS A 139 2.806 10.899 -0.371 1.00 0.00 C ATOM 1157 CD LYS A 139 2.505 11.675 0.900 1.00 0.00 C ATOM 1158 CE LYS A 139 1.415 12.711 0.675 1.00 0.00 C ATOM 1159 NZ LYS A 139 1.267 13.623 1.843 1.00 0.00 N1+ ATOM 0 H LYS A 139 4.526 9.066 -0.925 1.00 0.00 H new ATOM 0 HA LYS A 139 3.649 10.621 -3.041 1.00 0.00 H new ATOM 0 HB2 LYS A 139 4.847 11.537 -0.396 1.00 0.00 H new ATOM 0 HB3 LYS A 139 3.787 12.482 -1.423 1.00 0.00 H new ATOM 0 HG2 LYS A 139 1.938 10.927 -1.030 1.00 0.00 H new ATOM 0 HG3 LYS A 139 2.986 9.852 -0.126 1.00 0.00 H new ATOM 0 HD2 LYS A 139 2.196 10.984 1.685 1.00 0.00 H new ATOM 0 HD3 LYS A 139 3.412 12.169 1.249 1.00 0.00 H new ATOM 0 HE2 LYS A 139 1.648 13.296 -0.215 1.00 0.00 H new ATOM 0 HE3 LYS A 139 0.468 12.206 0.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 0.514 14.314 1.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 1.020 13.068 2.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 2.163 14.124 2.008 1.00 0.00 H new ATOM 1173 N HIS A 140 6.857 10.905 -2.446 1.00 0.00 N ATOM 1174 CA HIS A 140 8.112 11.442 -2.961 1.00 0.00 C ATOM 1175 C HIS A 140 8.249 11.170 -4.457 1.00 0.00 C ATOM 1176 O HIS A 140 9.057 11.799 -5.139 1.00 0.00 O ATOM 1177 CB HIS A 140 9.297 10.832 -2.210 1.00 0.00 C ATOM 1178 CG HIS A 140 10.514 11.703 -2.205 1.00 0.00 C ATOM 1179 ND1 HIS A 140 10.813 12.574 -1.177 1.00 0.00 N ATOM 1180 CD2 HIS A 140 11.514 11.835 -3.109 1.00 0.00 C ATOM 1181 CE1 HIS A 140 11.942 13.203 -1.450 1.00 0.00 C ATOM 1182 NE2 HIS A 140 12.388 12.772 -2.616 1.00 0.00 N ATOM 0 H HIS A 140 6.967 10.226 -1.693 1.00 0.00 H new ATOM 0 HA HIS A 140 8.107 12.521 -2.806 1.00 0.00 H new ATOM 0 HB2 HIS A 140 9.000 10.631 -1.181 1.00 0.00 H new ATOM 0 HB3 HIS A 140 9.549 9.873 -2.662 1.00 0.00 H new ATOM 0 HD2 HIS A 140 11.607 11.302 -4.044 1.00 0.00 H new ATOM 0 HE1 HIS A 140 12.419 13.944 -0.826 1.00 0.00 H new ATOM 0 HE2 HIS A 140 13.243 13.085 -3.076 1.00 0.00 H new ATOM 1191 N LEU A 141 7.455 10.229 -4.961 1.00 0.00 N ATOM 1192 CA LEU A 141 7.492 9.879 -6.376 1.00 0.00 C ATOM 1193 C LEU A 141 6.688 10.876 -7.204 1.00 0.00 C ATOM 1194 O LEU A 141 7.243 11.627 -8.006 1.00 0.00 O ATOM 1195 CB LEU A 141 6.935 8.471 -6.597 1.00 0.00 C ATOM 1196 CG LEU A 141 7.328 7.435 -5.543 1.00 0.00 C ATOM 1197 CD1 LEU A 141 6.258 6.358 -5.439 1.00 0.00 C ATOM 1198 CD2 LEU A 141 8.677 6.821 -5.879 1.00 0.00 C ATOM 0 H LEU A 141 6.780 9.697 -4.411 1.00 0.00 H new ATOM 0 HA LEU A 141 8.533 9.909 -6.698 1.00 0.00 H new ATOM 0 HB2 LEU A 141 5.847 8.531 -6.634 1.00 0.00 H new ATOM 0 HB3 LEU A 141 7.268 8.116 -7.572 1.00 0.00 H new ATOM 0 HG LEU A 141 7.411 7.933 -4.577 1.00 0.00 H new ATOM 0 HD11 LEU A 141 6.550 5.627 -4.685 1.00 0.00 H new ATOM 0 HD12 LEU A 141 5.310 6.814 -5.154 1.00 0.00 H new ATOM 0 HD13 LEU A 141 6.147 5.861 -6.403 1.00 0.00 H new ATOM 0 HD21 LEU A 141 8.942 6.086 -5.119 1.00 0.00 H new ATOM 0 HD22 LEU A 141 8.622 6.333 -6.852 1.00 0.00 H new ATOM 0 HD23 LEU A 141 9.436 7.603 -5.907 1.00 0.00 H new ATOM 1210 N THR A 142 5.375 10.865 -7.007 1.00 0.00 N ATOM 1211 CA THR A 142 4.477 11.753 -7.734 1.00 0.00 C ATOM 1212 C THR A 142 3.107 11.771 -7.073 1.00 0.00 C ATOM 1213 O THR A 142 2.934 11.265 -5.965 1.00 0.00 O ATOM 1214 CB THR A 142 4.335 11.287 -9.188 1.00 0.00 C ATOM 1215 OG1 THR A 142 5.415 10.447 -9.557 1.00 0.00 O ATOM 1216 CG2 THR A 142 4.283 12.428 -10.181 1.00 0.00 C ATOM 0 H THR A 142 4.906 10.246 -6.345 1.00 0.00 H new ATOM 0 HA THR A 142 4.897 12.759 -7.718 1.00 0.00 H new ATOM 0 HB THR A 142 3.387 10.750 -9.225 1.00 0.00 H new ATOM 0 HG1 THR A 142 5.303 10.161 -10.488 1.00 0.00 H new ATOM 0 HG21 THR A 142 4.182 12.028 -11.190 1.00 0.00 H new ATOM 0 HG22 THR A 142 3.429 13.067 -9.957 1.00 0.00 H new ATOM 0 HG23 THR A 142 5.201 13.012 -10.112 1.00 0.00 H new ATOM 1224 N ARG A 143 2.126 12.324 -7.777 1.00 0.00 N ATOM 1225 CA ARG A 143 0.762 12.366 -7.273 1.00 0.00 C ATOM 1226 C ARG A 143 0.009 11.125 -7.744 1.00 0.00 C ATOM 1227 O ARG A 143 -1.215 11.136 -7.881 1.00 0.00 O ATOM 1228 CB ARG A 143 0.050 13.633 -7.753 1.00 0.00 C ATOM 1229 CG ARG A 143 0.060 14.759 -6.732 1.00 0.00 C ATOM 1230 CD ARG A 143 0.320 16.106 -7.389 1.00 0.00 C ATOM 1231 NE ARG A 143 -0.823 16.560 -8.177 1.00 0.00 N ATOM 1232 CZ ARG A 143 -0.768 17.560 -9.054 1.00 0.00 C ATOM 1233 NH1 ARG A 143 0.370 18.213 -9.257 1.00 0.00 N1+ ATOM 1234 NH2 ARG A 143 -1.854 17.910 -9.730 1.00 0.00 N ATOM 0 H ARG A 143 2.251 12.748 -8.696 1.00 0.00 H new ATOM 0 HA ARG A 143 0.786 12.382 -6.183 1.00 0.00 H new ATOM 0 HB2 ARG A 143 0.524 13.981 -8.670 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -0.983 13.388 -8.001 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -0.896 14.786 -6.210 1.00 0.00 H new ATOM 0 HG3 ARG A 143 0.827 14.565 -5.982 1.00 0.00 H new ATOM 0 HD2 ARG A 143 0.548 16.846 -6.622 1.00 0.00 H new ATOM 0 HD3 ARG A 143 1.197 16.033 -8.032 1.00 0.00 H new ATOM 0 HE ARG A 143 -1.715 16.083 -8.048 1.00 0.00 H new ATOM 0 HH11 ARG A 143 1.209 17.949 -8.740 1.00 0.00 H new ATOM 0 HH12 ARG A 143 0.406 18.978 -9.930 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -2.732 17.413 -9.578 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -1.812 18.676 -10.402 1.00 0.00 H new ATOM 1248 N ASP A 144 0.765 10.058 -8.004 1.00 0.00 N ATOM 1249 CA ASP A 144 0.206 8.802 -8.474 1.00 0.00 C ATOM 1250 C ASP A 144 -0.136 7.879 -7.311 1.00 0.00 C ATOM 1251 O ASP A 144 0.180 6.689 -7.335 1.00 0.00 O ATOM 1252 CB ASP A 144 1.202 8.118 -9.415 1.00 0.00 C ATOM 1253 CG ASP A 144 0.996 8.516 -10.863 1.00 0.00 C ATOM 1254 OD1 ASP A 144 0.419 9.596 -11.106 1.00 0.00 O ATOM 1255 OD2 ASP A 144 1.414 7.747 -11.755 1.00 0.00 O1- ATOM 0 H ASP A 144 1.779 10.046 -7.893 1.00 0.00 H new ATOM 0 HA ASP A 144 -0.717 9.016 -9.012 1.00 0.00 H new ATOM 0 HB2 ASP A 144 2.218 8.373 -9.112 1.00 0.00 H new ATOM 0 HB3 ASP A 144 1.103 7.037 -9.321 1.00 0.00 H new ATOM 1260 N TRP A 145 -0.796 8.428 -6.298 1.00 0.00 N ATOM 1261 CA TRP A 145 -1.192 7.650 -5.141 1.00 0.00 C ATOM 1262 C TRP A 145 -2.330 6.713 -5.530 1.00 0.00 C ATOM 1263 O TRP A 145 -2.408 5.579 -5.059 1.00 0.00 O ATOM 1264 CB TRP A 145 -1.583 8.592 -4.000 1.00 0.00 C ATOM 1265 CG TRP A 145 -0.603 9.714 -3.819 1.00 0.00 C ATOM 1266 CD1 TRP A 145 0.684 9.752 -4.275 1.00 0.00 C ATOM 1267 CD2 TRP A 145 -0.824 10.953 -3.137 1.00 0.00 C ATOM 1268 NE1 TRP A 145 1.277 10.937 -3.922 1.00 0.00 N ATOM 1269 CE2 TRP A 145 0.372 11.694 -3.221 1.00 0.00 C ATOM 1270 CE3 TRP A 145 -1.915 11.511 -2.464 1.00 0.00 C ATOM 1271 CZ2 TRP A 145 0.505 12.960 -2.658 1.00 0.00 C ATOM 1272 CZ3 TRP A 145 -1.781 12.768 -1.906 1.00 0.00 C ATOM 1273 CH2 TRP A 145 -0.580 13.481 -2.006 1.00 0.00 C ATOM 0 H TRP A 145 -1.066 9.411 -6.259 1.00 0.00 H new ATOM 0 HA TRP A 145 -0.362 7.037 -4.790 1.00 0.00 H new ATOM 0 HB2 TRP A 145 -2.572 9.006 -4.198 1.00 0.00 H new ATOM 0 HB3 TRP A 145 -1.655 8.024 -3.073 1.00 0.00 H new ATOM 0 HD1 TRP A 145 1.165 8.963 -4.833 1.00 0.00 H new ATOM 0 HE1 TRP A 145 2.234 11.211 -4.144 1.00 0.00 H new ATOM 0 HE3 TRP A 145 -2.846 10.969 -2.382 1.00 0.00 H new ATOM 0 HZ2 TRP A 145 1.431 13.511 -2.733 1.00 0.00 H new ATOM 0 HZ3 TRP A 145 -2.617 13.208 -1.384 1.00 0.00 H new ATOM 0 HH2 TRP A 145 -0.508 14.462 -1.560 1.00 0.00 H new ATOM 1284 N ARG A 146 -3.177 7.182 -6.442 1.00 0.00 N ATOM 1285 CA ARG A 146 -4.279 6.372 -6.958 1.00 0.00 C ATOM 1286 C ARG A 146 -3.705 5.144 -7.650 1.00 0.00 C ATOM 1287 O ARG A 146 -4.290 4.057 -7.631 1.00 0.00 O ATOM 1288 CB ARG A 146 -5.134 7.175 -7.955 1.00 0.00 C ATOM 1289 CG ARG A 146 -4.335 8.063 -8.899 1.00 0.00 C ATOM 1290 CD ARG A 146 -5.248 8.868 -9.808 1.00 0.00 C ATOM 1291 NE ARG A 146 -5.506 10.205 -9.278 1.00 0.00 N ATOM 1292 CZ ARG A 146 -5.940 11.225 -10.016 1.00 0.00 C ATOM 1293 NH1 ARG A 146 -6.164 11.067 -11.314 1.00 0.00 N1+ ATOM 1294 NH2 ARG A 146 -6.151 12.407 -9.453 1.00 0.00 N ATOM 0 H ARG A 146 -3.122 8.120 -6.840 1.00 0.00 H new ATOM 0 HA ARG A 146 -4.918 6.074 -6.127 1.00 0.00 H new ATOM 0 HB2 ARG A 146 -5.729 6.479 -8.547 1.00 0.00 H new ATOM 0 HB3 ARG A 146 -5.833 7.797 -7.396 1.00 0.00 H new ATOM 0 HG2 ARG A 146 -3.707 8.740 -8.320 1.00 0.00 H new ATOM 0 HG3 ARG A 146 -3.668 7.448 -9.503 1.00 0.00 H new ATOM 0 HD2 ARG A 146 -4.795 8.951 -10.796 1.00 0.00 H new ATOM 0 HD3 ARG A 146 -6.193 8.339 -9.934 1.00 0.00 H new ATOM 0 HE ARG A 146 -5.344 10.367 -8.284 1.00 0.00 H new ATOM 0 HH11 ARG A 146 -6.004 10.160 -11.752 1.00 0.00 H new ATOM 0 HH12 ARG A 146 -6.496 11.852 -11.873 1.00 0.00 H new ATOM 0 HH21 ARG A 146 -5.981 12.534 -8.455 1.00 0.00 H new ATOM 0 HH22 ARG A 146 -6.483 13.189 -10.018 1.00 0.00 H new ATOM 1308 N THR A 147 -2.533 5.335 -8.244 1.00 0.00 N ATOM 1309 CA THR A 147 -1.837 4.264 -8.931 1.00 0.00 C ATOM 1310 C THR A 147 -1.278 3.280 -7.917 1.00 0.00 C ATOM 1311 O THR A 147 -1.078 2.107 -8.220 1.00 0.00 O ATOM 1312 CB THR A 147 -0.733 4.830 -9.831 1.00 0.00 C ATOM 1313 OG1 THR A 147 0.511 4.865 -9.154 1.00 0.00 O ATOM 1314 CG2 THR A 147 -1.027 6.230 -10.328 1.00 0.00 C ATOM 0 H THR A 147 -2.045 6.231 -8.261 1.00 0.00 H new ATOM 0 HA THR A 147 -2.540 3.732 -9.571 1.00 0.00 H new ATOM 0 HB THR A 147 -0.691 4.156 -10.687 1.00 0.00 H new ATOM 0 HG1 THR A 147 0.389 5.262 -8.266 1.00 0.00 H new ATOM 0 HG21 THR A 147 -0.207 6.572 -10.959 1.00 0.00 H new ATOM 0 HG22 THR A 147 -1.951 6.224 -10.906 1.00 0.00 H new ATOM 0 HG23 THR A 147 -1.135 6.903 -9.477 1.00 0.00 H new ATOM 1322 N THR A 148 -1.059 3.763 -6.698 1.00 0.00 N ATOM 1323 CA THR A 148 -0.558 2.921 -5.624 1.00 0.00 C ATOM 1324 C THR A 148 -1.548 1.802 -5.333 1.00 0.00 C ATOM 1325 O THR A 148 -1.165 0.706 -4.924 1.00 0.00 O ATOM 1326 CB THR A 148 -0.338 3.751 -4.358 1.00 0.00 C ATOM 1327 OG1 THR A 148 0.361 4.951 -4.653 1.00 0.00 O ATOM 1328 CG2 THR A 148 0.426 3.007 -3.281 1.00 0.00 C ATOM 0 H THR A 148 -1.222 4.734 -6.432 1.00 0.00 H new ATOM 0 HA THR A 148 0.393 2.489 -5.937 1.00 0.00 H new ATOM 0 HB THR A 148 -1.336 3.971 -3.978 1.00 0.00 H new ATOM 0 HG1 THR A 148 0.735 4.898 -5.557 1.00 0.00 H new ATOM 0 HG21 THR A 148 0.548 3.651 -2.410 1.00 0.00 H new ATOM 0 HG22 THR A 148 -0.127 2.112 -2.995 1.00 0.00 H new ATOM 0 HG23 THR A 148 1.407 2.722 -3.662 1.00 0.00 H new ATOM 1336 N ALA A 149 -2.827 2.093 -5.546 1.00 0.00 N ATOM 1337 CA ALA A 149 -3.882 1.124 -5.304 1.00 0.00 C ATOM 1338 C ALA A 149 -3.926 0.065 -6.399 1.00 0.00 C ATOM 1339 O ALA A 149 -3.878 -1.131 -6.115 1.00 0.00 O ATOM 1340 CB ALA A 149 -5.223 1.832 -5.185 1.00 0.00 C ATOM 0 H ALA A 149 -3.156 2.996 -5.887 1.00 0.00 H new ATOM 0 HA ALA A 149 -3.667 0.615 -4.365 1.00 0.00 H new ATOM 0 HB1 ALA A 149 -6.008 1.097 -5.004 1.00 0.00 H new ATOM 0 HB2 ALA A 149 -5.189 2.539 -4.356 1.00 0.00 H new ATOM 0 HB3 ALA A 149 -5.435 2.368 -6.110 1.00 0.00 H new ATOM 1346 N HIS A 150 -4.020 0.505 -7.651 1.00 0.00 N ATOM 1347 CA HIS A 150 -4.075 -0.424 -8.778 1.00 0.00 C ATOM 1348 C HIS A 150 -2.721 -1.081 -9.025 1.00 0.00 C ATOM 1349 O HIS A 150 -2.645 -2.278 -9.295 1.00 0.00 O ATOM 1350 CB HIS A 150 -4.538 0.292 -10.045 1.00 0.00 C ATOM 1351 CG HIS A 150 -5.973 0.031 -10.388 1.00 0.00 C ATOM 1352 ND1 HIS A 150 -6.372 -0.519 -11.588 1.00 0.00 N ATOM 1353 CD2 HIS A 150 -7.107 0.247 -9.679 1.00 0.00 C ATOM 1354 CE1 HIS A 150 -7.689 -0.628 -11.603 1.00 0.00 C ATOM 1355 NE2 HIS A 150 -8.158 -0.171 -10.457 1.00 0.00 N ATOM 0 H HIS A 150 -4.059 1.491 -7.910 1.00 0.00 H new ATOM 0 HA HIS A 150 -4.794 -1.203 -8.523 1.00 0.00 H new ATOM 0 HB2 HIS A 150 -4.392 1.365 -9.921 1.00 0.00 H new ATOM 0 HB3 HIS A 150 -3.910 -0.021 -10.880 1.00 0.00 H new ATOM 0 HD2 HIS A 150 -7.172 0.669 -8.687 1.00 0.00 H new ATOM 0 HE1 HIS A 150 -8.281 -1.024 -12.415 1.00 0.00 H new ATOM 0 HE2 HIS A 150 -9.142 -0.134 -10.192 1.00 0.00 H new ATOM 1364 N ALA A 151 -1.652 -0.296 -8.938 1.00 0.00 N ATOM 1365 CA ALA A 151 -0.308 -0.824 -9.161 1.00 0.00 C ATOM 1366 C ALA A 151 -0.064 -2.071 -8.320 1.00 0.00 C ATOM 1367 O ALA A 151 0.440 -3.079 -8.815 1.00 0.00 O ATOM 1368 CB ALA A 151 0.742 0.232 -8.850 1.00 0.00 C ATOM 0 H ALA A 151 -1.687 0.699 -8.717 1.00 0.00 H new ATOM 0 HA ALA A 151 -0.228 -1.098 -10.213 1.00 0.00 H new ATOM 0 HB1 ALA A 151 1.736 -0.181 -9.022 1.00 0.00 H new ATOM 0 HB2 ALA A 151 0.591 1.096 -9.497 1.00 0.00 H new ATOM 0 HB3 ALA A 151 0.652 0.538 -7.808 1.00 0.00 H new ATOM 1374 N LEU A 152 -0.425 -1.995 -7.045 1.00 0.00 N ATOM 1375 CA LEU A 152 -0.247 -3.112 -6.134 1.00 0.00 C ATOM 1376 C LEU A 152 -1.084 -4.305 -6.554 1.00 0.00 C ATOM 1377 O LEU A 152 -0.661 -5.451 -6.420 1.00 0.00 O ATOM 1378 CB LEU A 152 -0.606 -2.672 -4.726 1.00 0.00 C ATOM 1379 CG LEU A 152 0.581 -2.238 -3.877 1.00 0.00 C ATOM 1380 CD1 LEU A 152 1.670 -1.601 -4.738 1.00 0.00 C ATOM 1381 CD2 LEU A 152 0.127 -1.276 -2.794 1.00 0.00 C ATOM 0 H LEU A 152 -0.844 -1.168 -6.620 1.00 0.00 H new ATOM 0 HA LEU A 152 0.797 -3.424 -6.161 1.00 0.00 H new ATOM 0 HB2 LEU A 152 -1.314 -1.846 -4.787 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -1.116 -3.493 -4.222 1.00 0.00 H new ATOM 0 HG LEU A 152 1.004 -3.124 -3.405 1.00 0.00 H new ATOM 0 HD11 LEU A 152 2.505 -1.301 -4.105 1.00 0.00 H new ATOM 0 HD12 LEU A 152 2.017 -2.322 -5.478 1.00 0.00 H new ATOM 0 HD13 LEU A 152 1.266 -0.725 -5.246 1.00 0.00 H new ATOM 0 HD21 LEU A 152 0.985 -0.973 -2.194 1.00 0.00 H new ATOM 0 HD22 LEU A 152 -0.323 -0.396 -3.254 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -0.607 -1.767 -2.156 1.00 0.00 H new ATOM 1393 N LYS A 153 -2.265 -4.034 -7.081 1.00 0.00 N ATOM 1394 CA LYS A 153 -3.143 -5.104 -7.549 1.00 0.00 C ATOM 1395 C LYS A 153 -2.369 -6.026 -8.491 1.00 0.00 C ATOM 1396 O LYS A 153 -2.678 -7.211 -8.619 1.00 0.00 O ATOM 1397 CB LYS A 153 -4.368 -4.533 -8.268 1.00 0.00 C ATOM 1398 CG LYS A 153 -5.256 -3.680 -7.379 1.00 0.00 C ATOM 1399 CD LYS A 153 -6.663 -3.562 -7.944 1.00 0.00 C ATOM 1400 CE LYS A 153 -7.580 -4.643 -7.393 1.00 0.00 C ATOM 1401 NZ LYS A 153 -8.146 -5.495 -8.475 1.00 0.00 N1+ ATOM 0 H LYS A 153 -2.640 -3.093 -7.197 1.00 0.00 H new ATOM 0 HA LYS A 153 -3.490 -5.671 -6.685 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -4.034 -3.934 -9.115 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -4.957 -5.356 -8.672 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -5.299 -4.116 -6.381 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -4.820 -2.686 -7.274 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -7.071 -2.580 -7.703 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -6.626 -3.634 -9.031 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -7.025 -5.267 -6.692 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -8.392 -4.179 -6.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -8.765 -6.219 -8.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -8.696 -4.904 -9.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -7.372 -5.958 -8.993 1.00 0.00 H new ATOM 1415 N TYR A 154 -1.343 -5.464 -9.132 1.00 0.00 N ATOM 1416 CA TYR A 154 -0.491 -6.213 -10.049 1.00 0.00 C ATOM 1417 C TYR A 154 0.845 -6.540 -9.380 1.00 0.00 C ATOM 1418 O TYR A 154 1.843 -6.803 -10.050 1.00 0.00 O ATOM 1419 CB TYR A 154 -0.250 -5.408 -11.327 1.00 0.00 C ATOM 1420 CG TYR A 154 -1.520 -4.892 -11.967 1.00 0.00 C ATOM 1421 CD1 TYR A 154 -2.316 -5.723 -12.746 1.00 0.00 C ATOM 1422 CD2 TYR A 154 -1.922 -3.574 -11.792 1.00 0.00 C ATOM 1423 CE1 TYR A 154 -3.476 -5.255 -13.332 1.00 0.00 C ATOM 1424 CE2 TYR A 154 -3.081 -3.099 -12.374 1.00 0.00 C ATOM 1425 CZ TYR A 154 -3.854 -3.942 -13.143 1.00 0.00 C ATOM 1426 OH TYR A 154 -5.009 -3.472 -13.725 1.00 0.00 O ATOM 0 H TYR A 154 -1.083 -4.483 -9.029 1.00 0.00 H new ATOM 0 HA TYR A 154 -0.995 -7.144 -10.309 1.00 0.00 H new ATOM 0 HB2 TYR A 154 0.400 -4.564 -11.097 1.00 0.00 H new ATOM 0 HB3 TYR A 154 0.281 -6.033 -12.045 1.00 0.00 H new ATOM 0 HD1 TYR A 154 -2.023 -6.752 -12.896 1.00 0.00 H new ATOM 0 HD2 TYR A 154 -1.318 -2.910 -11.191 1.00 0.00 H new ATOM 0 HE1 TYR A 154 -4.084 -5.914 -13.935 1.00 0.00 H new ATOM 0 HE2 TYR A 154 -3.380 -2.072 -12.227 1.00 0.00 H new ATOM 0 HH TYR A 154 -5.132 -2.528 -13.493 1.00 0.00 H new ATOM 1436 N SER A 155 0.843 -6.516 -8.051 1.00 0.00 N ATOM 1437 CA SER A 155 2.024 -6.799 -7.259 1.00 0.00 C ATOM 1438 C SER A 155 1.841 -8.111 -6.522 1.00 0.00 C ATOM 1439 O SER A 155 1.122 -8.182 -5.526 1.00 0.00 O ATOM 1440 CB SER A 155 2.262 -5.675 -6.256 1.00 0.00 C ATOM 1441 OG SER A 155 3.347 -5.980 -5.399 1.00 0.00 O ATOM 0 H SER A 155 0.016 -6.298 -7.495 1.00 0.00 H new ATOM 0 HA SER A 155 2.887 -6.873 -7.921 1.00 0.00 H new ATOM 0 HB2 SER A 155 2.464 -4.745 -6.788 1.00 0.00 H new ATOM 0 HB3 SER A 155 1.361 -5.514 -5.664 1.00 0.00 H new ATOM 0 HG SER A 155 3.134 -5.692 -4.487 1.00 0.00 H new ATOM 1447 N VAL A 156 2.479 -9.148 -7.024 1.00 0.00 N ATOM 1448 CA VAL A 156 2.371 -10.459 -6.423 1.00 0.00 C ATOM 1449 C VAL A 156 3.567 -10.766 -5.525 1.00 0.00 C ATOM 1450 O VAL A 156 3.690 -11.871 -4.996 1.00 0.00 O ATOM 1451 CB VAL A 156 2.220 -11.530 -7.512 1.00 0.00 C ATOM 1452 CG1 VAL A 156 3.506 -11.674 -8.313 1.00 0.00 C ATOM 1453 CG2 VAL A 156 1.798 -12.859 -6.908 1.00 0.00 C ATOM 0 H VAL A 156 3.079 -9.107 -7.848 1.00 0.00 H new ATOM 0 HA VAL A 156 1.481 -10.468 -5.794 1.00 0.00 H new ATOM 0 HB VAL A 156 1.435 -11.210 -8.197 1.00 0.00 H new ATOM 0 HG11 VAL A 156 3.374 -12.439 -9.078 1.00 0.00 H new ATOM 0 HG12 VAL A 156 3.747 -10.723 -8.788 1.00 0.00 H new ATOM 0 HG13 VAL A 156 4.319 -11.964 -7.647 1.00 0.00 H new ATOM 0 HG21 VAL A 156 1.697 -13.602 -7.699 1.00 0.00 H new ATOM 0 HG22 VAL A 156 2.552 -13.189 -6.193 1.00 0.00 H new ATOM 0 HG23 VAL A 156 0.842 -12.740 -6.398 1.00 0.00 H new ATOM 1463 N VAL A 157 4.436 -9.774 -5.340 1.00 0.00 N ATOM 1464 CA VAL A 157 5.604 -9.935 -4.486 1.00 0.00 C ATOM 1465 C VAL A 157 5.189 -9.875 -3.021 1.00 0.00 C ATOM 1466 O VAL A 157 5.714 -10.607 -2.182 1.00 0.00 O ATOM 1467 CB VAL A 157 6.662 -8.848 -4.759 1.00 0.00 C ATOM 1468 CG1 VAL A 157 7.911 -9.093 -3.925 1.00 0.00 C ATOM 1469 CG2 VAL A 157 7.003 -8.796 -6.240 1.00 0.00 C ATOM 0 H VAL A 157 4.351 -8.853 -5.770 1.00 0.00 H new ATOM 0 HA VAL A 157 6.045 -10.906 -4.710 1.00 0.00 H new ATOM 0 HB VAL A 157 6.246 -7.883 -4.470 1.00 0.00 H new ATOM 0 HG11 VAL A 157 8.645 -8.315 -4.132 1.00 0.00 H new ATOM 0 HG12 VAL A 157 7.651 -9.074 -2.867 1.00 0.00 H new ATOM 0 HG13 VAL A 157 8.332 -10.066 -4.178 1.00 0.00 H new ATOM 0 HG21 VAL A 157 7.751 -8.023 -6.414 1.00 0.00 H new ATOM 0 HG22 VAL A 157 7.398 -9.761 -6.557 1.00 0.00 H new ATOM 0 HG23 VAL A 157 6.104 -8.566 -6.812 1.00 0.00 H new ATOM 1479 N LEU A 158 4.227 -9.003 -2.729 1.00 0.00 N ATOM 1480 CA LEU A 158 3.714 -8.846 -1.378 1.00 0.00 C ATOM 1481 C LEU A 158 2.304 -9.419 -1.309 1.00 0.00 C ATOM 1482 O LEU A 158 1.685 -9.674 -2.342 1.00 0.00 O ATOM 1483 CB LEU A 158 3.685 -7.364 -0.976 1.00 0.00 C ATOM 1484 CG LEU A 158 5.045 -6.656 -0.893 1.00 0.00 C ATOM 1485 CD1 LEU A 158 5.801 -7.077 0.358 1.00 0.00 C ATOM 1486 CD2 LEU A 158 5.877 -6.926 -2.138 1.00 0.00 C ATOM 0 H LEU A 158 3.787 -8.392 -3.418 1.00 0.00 H new ATOM 0 HA LEU A 158 4.369 -9.379 -0.689 1.00 0.00 H new ATOM 0 HB2 LEU A 158 3.063 -6.827 -1.692 1.00 0.00 H new ATOM 0 HB3 LEU A 158 3.197 -7.282 -0.005 1.00 0.00 H new ATOM 0 HG LEU A 158 4.860 -5.583 -0.835 1.00 0.00 H new ATOM 0 HD11 LEU A 158 6.761 -6.562 0.394 1.00 0.00 H new ATOM 0 HD12 LEU A 158 5.217 -6.817 1.241 1.00 0.00 H new ATOM 0 HD13 LEU A 158 5.968 -8.154 0.337 1.00 0.00 H new ATOM 0 HD21 LEU A 158 6.835 -6.413 -2.054 1.00 0.00 H new ATOM 0 HD22 LEU A 158 6.047 -7.998 -2.237 1.00 0.00 H new ATOM 0 HD23 LEU A 158 5.346 -6.560 -3.017 1.00 0.00 H new ATOM 1498 N GLU A 159 1.785 -9.604 -0.104 1.00 0.00 N ATOM 1499 CA GLU A 159 0.438 -10.125 0.053 1.00 0.00 C ATOM 1500 C GLU A 159 -0.523 -8.967 0.281 1.00 0.00 C ATOM 1501 O GLU A 159 -0.497 -8.327 1.321 1.00 0.00 O ATOM 1502 CB GLU A 159 0.383 -11.119 1.221 1.00 0.00 C ATOM 1503 CG GLU A 159 -1.011 -11.333 1.788 1.00 0.00 C ATOM 1504 CD GLU A 159 -1.982 -11.878 0.759 1.00 0.00 C ATOM 1505 OE1 GLU A 159 -1.637 -12.871 0.085 1.00 0.00 O ATOM 1506 OE2 GLU A 159 -3.088 -11.312 0.628 1.00 0.00 O1- ATOM 0 H GLU A 159 2.271 -9.403 0.770 1.00 0.00 H new ATOM 0 HA GLU A 159 0.145 -10.657 -0.852 1.00 0.00 H new ATOM 0 HB2 GLU A 159 0.779 -12.078 0.887 1.00 0.00 H new ATOM 0 HB3 GLU A 159 1.037 -10.764 2.017 1.00 0.00 H new ATOM 0 HG2 GLU A 159 -0.955 -12.023 2.630 1.00 0.00 H new ATOM 0 HG3 GLU A 159 -1.391 -10.388 2.175 1.00 0.00 H new ATOM 1513 N LEU A 160 -1.359 -8.696 -0.705 1.00 0.00 N ATOM 1514 CA LEU A 160 -2.315 -7.599 -0.621 1.00 0.00 C ATOM 1515 C LEU A 160 -3.626 -8.059 -0.003 1.00 0.00 C ATOM 1516 O LEU A 160 -4.057 -9.186 -0.245 1.00 0.00 O ATOM 1517 CB LEU A 160 -2.595 -7.072 -2.030 1.00 0.00 C ATOM 1518 CG LEU A 160 -1.689 -5.952 -2.538 1.00 0.00 C ATOM 1519 CD1 LEU A 160 -2.405 -4.608 -2.480 1.00 0.00 C ATOM 1520 CD2 LEU A 160 -0.370 -5.926 -1.773 1.00 0.00 C ATOM 0 H LEU A 160 -1.398 -9.221 -1.578 1.00 0.00 H new ATOM 0 HA LEU A 160 -1.887 -6.818 0.008 1.00 0.00 H new ATOM 0 HB2 LEU A 160 -2.525 -7.908 -2.726 1.00 0.00 H new ATOM 0 HB3 LEU A 160 -3.625 -6.717 -2.062 1.00 0.00 H new ATOM 0 HG LEU A 160 -1.452 -6.151 -3.583 1.00 0.00 H new ATOM 0 HD11 LEU A 160 -1.740 -3.826 -2.847 1.00 0.00 H new ATOM 0 HD12 LEU A 160 -3.299 -4.645 -3.102 1.00 0.00 H new ATOM 0 HD13 LEU A 160 -2.688 -4.391 -1.450 1.00 0.00 H new ATOM 0 HD21 LEU A 160 0.256 -5.119 -2.155 1.00 0.00 H new ATOM 0 HD22 LEU A 160 -0.567 -5.762 -0.714 1.00 0.00 H new ATOM 0 HD23 LEU A 160 0.145 -6.878 -1.903 1.00 0.00 H new ATOM 1532 N ASN A 161 -4.301 -7.183 0.752 1.00 0.00 N ATOM 1533 CA ASN A 161 -5.594 -7.582 1.305 1.00 0.00 C ATOM 1534 C ASN A 161 -6.494 -7.794 0.122 1.00 0.00 C ATOM 1535 O ASN A 161 -6.238 -7.166 -0.904 1.00 0.00 O ATOM 1536 CB ASN A 161 -6.200 -6.521 2.228 1.00 0.00 C ATOM 1537 CG ASN A 161 -7.657 -6.794 2.555 1.00 0.00 C ATOM 1538 OD1 ASN A 161 -8.557 -6.076 1.892 1.00 0.00 O flip ATOM 1539 ND2 ASN A 161 -7.970 -7.641 3.392 1.00 0.00 N flip ATOM 0 H ASN A 161 -3.991 -6.239 0.984 1.00 0.00 H new ATOM 0 HA ASN A 161 -5.474 -8.477 1.916 1.00 0.00 H new ATOM 0 HB2 ASN A 161 -5.626 -6.479 3.153 1.00 0.00 H new ATOM 0 HB3 ASN A 161 -6.115 -5.542 1.755 1.00 0.00 H new ATOM 0 HD21 ASN A 161 -7.246 -8.170 3.878 1.00 0.00 H new ATOM 0 HD22 ASN A 161 -8.954 -7.814 3.599 1.00 0.00 H new ATOM 1546 N GLU A 162 -7.508 -8.660 0.312 1.00 0.00 N ATOM 1547 CA GLU A 162 -8.487 -9.095 -0.708 1.00 0.00 C ATOM 1548 C GLU A 162 -8.916 -8.045 -1.720 1.00 0.00 C ATOM 1549 O GLU A 162 -8.836 -8.291 -2.924 1.00 0.00 O ATOM 1550 CB GLU A 162 -9.728 -9.651 -0.011 1.00 0.00 C ATOM 1551 CG GLU A 162 -10.483 -8.617 0.808 1.00 0.00 C ATOM 1552 CD GLU A 162 -11.573 -9.232 1.662 1.00 0.00 C ATOM 1553 OE1 GLU A 162 -11.320 -10.288 2.279 1.00 0.00 O ATOM 1554 OE2 GLU A 162 -12.681 -8.658 1.715 1.00 0.00 O1- ATOM 0 H GLU A 162 -7.676 -9.095 1.219 1.00 0.00 H new ATOM 0 HA GLU A 162 -7.961 -9.850 -1.292 1.00 0.00 H new ATOM 0 HB2 GLU A 162 -10.399 -10.068 -0.762 1.00 0.00 H new ATOM 0 HB3 GLU A 162 -9.430 -10.472 0.642 1.00 0.00 H new ATOM 0 HG2 GLU A 162 -9.781 -8.084 1.450 1.00 0.00 H new ATOM 0 HG3 GLU A 162 -10.925 -7.880 0.137 1.00 0.00 H new ATOM 1561 N ASP A 163 -9.340 -6.883 -1.275 1.00 0.00 N ATOM 1562 CA ASP A 163 -9.732 -5.845 -2.215 1.00 0.00 C ATOM 1563 C ASP A 163 -8.477 -5.109 -2.623 1.00 0.00 C ATOM 1564 O ASP A 163 -8.497 -3.916 -2.927 1.00 0.00 O ATOM 1565 CB ASP A 163 -10.741 -4.886 -1.577 1.00 0.00 C ATOM 1566 CG ASP A 163 -11.189 -3.796 -2.532 1.00 0.00 C ATOM 1567 OD1 ASP A 163 -11.325 -4.084 -3.740 1.00 0.00 O1- ATOM 1568 OD2 ASP A 163 -11.404 -2.655 -2.072 1.00 0.00 O ATOM 0 H ASP A 163 -9.423 -6.631 -0.290 1.00 0.00 H new ATOM 0 HA ASP A 163 -10.217 -6.284 -3.087 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -11.611 -5.450 -1.240 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -10.295 -4.430 -0.693 1.00 0.00 H new ATOM 1573 N HIS A 164 -7.363 -5.841 -2.543 1.00 0.00 N ATOM 1574 CA HIS A 164 -6.052 -5.309 -2.807 1.00 0.00 C ATOM 1575 C HIS A 164 -5.939 -3.954 -2.166 1.00 0.00 C ATOM 1576 O HIS A 164 -5.235 -3.059 -2.635 1.00 0.00 O ATOM 1577 CB HIS A 164 -5.732 -5.305 -4.290 1.00 0.00 C ATOM 1578 CG HIS A 164 -5.581 -6.699 -4.809 1.00 0.00 C ATOM 1579 ND1 HIS A 164 -5.401 -7.005 -6.140 1.00 0.00 N ATOM 1580 CD2 HIS A 164 -5.585 -7.884 -4.144 1.00 0.00 C ATOM 1581 CE1 HIS A 164 -5.300 -8.317 -6.276 1.00 0.00 C ATOM 1582 NE2 HIS A 164 -5.408 -8.872 -5.081 1.00 0.00 N ATOM 0 H HIS A 164 -7.361 -6.829 -2.289 1.00 0.00 H new ATOM 0 HA HIS A 164 -5.296 -5.956 -2.362 1.00 0.00 H new ATOM 0 HB2 HIS A 164 -6.525 -4.794 -4.836 1.00 0.00 H new ATOM 0 HB3 HIS A 164 -4.813 -4.746 -4.466 1.00 0.00 H new ATOM 0 HD2 HIS A 164 -5.705 -8.023 -3.080 1.00 0.00 H new ATOM 0 HE1 HIS A 164 -5.154 -8.846 -7.206 1.00 0.00 H new ATOM 0 HE2 HIS A 164 -5.367 -9.872 -4.886 1.00 0.00 H new ATOM 1591 N ARG A 165 -6.648 -3.847 -1.050 1.00 0.00 N ATOM 1592 CA ARG A 165 -6.667 -2.657 -0.266 1.00 0.00 C ATOM 1593 C ARG A 165 -5.539 -2.705 0.728 1.00 0.00 C ATOM 1594 O ARG A 165 -5.205 -1.680 1.323 1.00 0.00 O ATOM 1595 CB ARG A 165 -8.008 -2.502 0.454 1.00 0.00 C ATOM 1596 CG ARG A 165 -9.134 -2.027 -0.451 1.00 0.00 C ATOM 1597 CD ARG A 165 -8.774 -0.731 -1.158 1.00 0.00 C ATOM 1598 NE ARG A 165 -9.772 0.312 -0.933 1.00 0.00 N ATOM 1599 CZ ARG A 165 -9.831 1.445 -1.628 1.00 0.00 C ATOM 1600 NH1 ARG A 165 -8.952 1.686 -2.593 1.00 0.00 N1+ ATOM 1601 NH2 ARG A 165 -10.771 2.340 -1.358 1.00 0.00 N ATOM 0 H ARG A 165 -7.225 -4.600 -0.675 1.00 0.00 H new ATOM 0 HA ARG A 165 -6.539 -1.795 -0.921 1.00 0.00 H new ATOM 0 HB2 ARG A 165 -8.287 -3.459 0.895 1.00 0.00 H new ATOM 0 HB3 ARG A 165 -7.890 -1.795 1.275 1.00 0.00 H new ATOM 0 HG2 ARG A 165 -9.356 -2.796 -1.191 1.00 0.00 H new ATOM 0 HG3 ARG A 165 -10.039 -1.881 0.139 1.00 0.00 H new ATOM 0 HD2 ARG A 165 -7.802 -0.384 -0.807 1.00 0.00 H new ATOM 0 HD3 ARG A 165 -8.678 -0.916 -2.228 1.00 0.00 H new ATOM 0 HE ARG A 165 -10.465 0.163 -0.199 1.00 0.00 H new ATOM 0 HH11 ARG A 165 -8.227 1.001 -2.805 1.00 0.00 H new ATOM 0 HH12 ARG A 165 -9.002 2.556 -3.123 1.00 0.00 H new ATOM 0 HH21 ARG A 165 -11.449 2.160 -0.617 1.00 0.00 H new ATOM 0 HH22 ARG A 165 -10.816 3.209 -1.891 1.00 0.00 H new ATOM 1615 N LYS A 166 -4.917 -3.883 0.918 1.00 0.00 N ATOM 1616 CA LYS A 166 -3.802 -3.909 1.876 1.00 0.00 C ATOM 1617 C LYS A 166 -2.570 -4.563 1.299 1.00 0.00 C ATOM 1618 O LYS A 166 -2.576 -5.028 0.165 1.00 0.00 O ATOM 1619 CB LYS A 166 -4.188 -4.586 3.190 1.00 0.00 C ATOM 1620 CG LYS A 166 -5.503 -4.088 3.772 1.00 0.00 C ATOM 1621 CD LYS A 166 -5.913 -4.893 4.995 1.00 0.00 C ATOM 1622 CE LYS A 166 -6.585 -4.016 6.040 1.00 0.00 C ATOM 1623 NZ LYS A 166 -6.796 -4.743 7.322 1.00 0.00 N1+ ATOM 0 H LYS A 166 -5.144 -4.766 0.460 1.00 0.00 H new ATOM 0 HA LYS A 166 -3.565 -2.866 2.087 1.00 0.00 H new ATOM 0 HB2 LYS A 166 -4.257 -5.662 3.028 1.00 0.00 H new ATOM 0 HB3 LYS A 166 -3.394 -4.424 3.919 1.00 0.00 H new ATOM 0 HG2 LYS A 166 -5.407 -3.037 4.043 1.00 0.00 H new ATOM 0 HG3 LYS A 166 -6.284 -4.152 3.015 1.00 0.00 H new ATOM 0 HD2 LYS A 166 -6.593 -5.690 4.696 1.00 0.00 H new ATOM 0 HD3 LYS A 166 -5.034 -5.370 5.429 1.00 0.00 H new ATOM 0 HE2 LYS A 166 -5.973 -3.132 6.220 1.00 0.00 H new ATOM 0 HE3 LYS A 166 -7.544 -3.667 5.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 -7.256 -4.111 8.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 -7.401 -5.572 7.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 -5.878 -5.054 7.700 1.00 0.00 H new ATOM 1637 N VAL A 167 -1.513 -4.596 2.095 1.00 0.00 N ATOM 1638 CA VAL A 167 -0.268 -5.201 1.674 1.00 0.00 C ATOM 1639 C VAL A 167 0.515 -5.709 2.871 1.00 0.00 C ATOM 1640 O VAL A 167 1.310 -4.996 3.480 1.00 0.00 O ATOM 1641 CB VAL A 167 0.586 -4.239 0.826 1.00 0.00 C ATOM 1642 CG1 VAL A 167 0.805 -2.914 1.543 1.00 0.00 C ATOM 1643 CG2 VAL A 167 1.917 -4.879 0.455 1.00 0.00 C ATOM 0 H VAL A 167 -1.497 -4.208 3.038 1.00 0.00 H new ATOM 0 HA VAL A 167 -0.520 -6.050 1.039 1.00 0.00 H new ATOM 0 HB VAL A 167 0.038 -4.033 -0.093 1.00 0.00 H new ATOM 0 HG11 VAL A 167 1.411 -2.258 0.918 1.00 0.00 H new ATOM 0 HG12 VAL A 167 -0.158 -2.442 1.737 1.00 0.00 H new ATOM 0 HG13 VAL A 167 1.319 -3.092 2.488 1.00 0.00 H new ATOM 0 HG21 VAL A 167 2.502 -4.181 -0.143 1.00 0.00 H new ATOM 0 HG22 VAL A 167 2.467 -5.128 1.363 1.00 0.00 H new ATOM 0 HG23 VAL A 167 1.736 -5.787 -0.120 1.00 0.00 H new ATOM 1653 N ARG A 168 0.260 -6.962 3.191 1.00 0.00 N ATOM 1654 CA ARG A 168 0.913 -7.632 4.310 1.00 0.00 C ATOM 1655 C ARG A 168 1.990 -8.590 3.810 1.00 0.00 C ATOM 1656 O ARG A 168 2.049 -8.904 2.621 1.00 0.00 O ATOM 1657 CB ARG A 168 -0.116 -8.405 5.137 1.00 0.00 C ATOM 1658 CG ARG A 168 0.359 -8.750 6.539 1.00 0.00 C ATOM 1659 CD ARG A 168 -0.783 -9.259 7.404 1.00 0.00 C ATOM 1660 NE ARG A 168 -0.300 -9.917 8.616 1.00 0.00 N ATOM 1661 CZ ARG A 168 0.164 -11.164 8.647 1.00 0.00 C ATOM 1662 NH1 ARG A 168 0.212 -11.890 7.538 1.00 0.00 N1+ ATOM 1663 NH2 ARG A 168 0.583 -11.686 9.792 1.00 0.00 N ATOM 0 H ARG A 168 -0.404 -7.549 2.686 1.00 0.00 H new ATOM 0 HA ARG A 168 1.381 -6.872 4.935 1.00 0.00 H new ATOM 0 HB2 ARG A 168 -1.029 -7.814 5.208 1.00 0.00 H new ATOM 0 HB3 ARG A 168 -0.372 -9.326 4.613 1.00 0.00 H new ATOM 0 HG2 ARG A 168 1.141 -9.508 6.483 1.00 0.00 H new ATOM 0 HG3 ARG A 168 0.802 -7.868 7.002 1.00 0.00 H new ATOM 0 HD2 ARG A 168 -1.430 -8.426 7.677 1.00 0.00 H new ATOM 0 HD3 ARG A 168 -1.390 -9.958 6.829 1.00 0.00 H new ATOM 0 HE ARG A 168 -0.320 -9.390 9.489 1.00 0.00 H new ATOM 0 HH11 ARG A 168 -0.108 -11.493 6.654 1.00 0.00 H new ATOM 0 HH12 ARG A 168 0.569 -12.845 7.569 1.00 0.00 H new ATOM 0 HH21 ARG A 168 0.549 -11.132 10.648 1.00 0.00 H new ATOM 0 HH22 ARG A 168 0.939 -12.642 9.817 1.00 0.00 H new ATOM 1677 N ARG A 169 2.834 -9.059 4.723 1.00 0.00 N ATOM 1678 CA ARG A 169 3.898 -9.991 4.369 1.00 0.00 C ATOM 1679 C ARG A 169 3.543 -11.402 4.823 1.00 0.00 C ATOM 1680 O ARG A 169 3.180 -11.620 5.978 1.00 0.00 O ATOM 1681 CB ARG A 169 5.226 -9.561 4.997 1.00 0.00 C ATOM 1682 CG ARG A 169 6.429 -9.801 4.099 1.00 0.00 C ATOM 1683 CD ARG A 169 6.461 -8.825 2.934 1.00 0.00 C ATOM 1684 NE ARG A 169 7.758 -8.819 2.261 1.00 0.00 N ATOM 1685 CZ ARG A 169 8.200 -9.813 1.494 1.00 0.00 C ATOM 1686 NH1 ARG A 169 7.453 -10.892 1.299 1.00 0.00 N1+ ATOM 1687 NH2 ARG A 169 9.393 -9.727 0.921 1.00 0.00 N ATOM 0 H ARG A 169 2.802 -8.810 5.712 1.00 0.00 H new ATOM 0 HA ARG A 169 4.006 -9.985 3.284 1.00 0.00 H new ATOM 0 HB2 ARG A 169 5.174 -8.501 5.246 1.00 0.00 H new ATOM 0 HB3 ARG A 169 5.368 -10.102 5.933 1.00 0.00 H new ATOM 0 HG2 ARG A 169 7.345 -9.702 4.682 1.00 0.00 H new ATOM 0 HG3 ARG A 169 6.402 -10.822 3.718 1.00 0.00 H new ATOM 0 HD2 ARG A 169 5.682 -9.089 2.218 1.00 0.00 H new ATOM 0 HD3 ARG A 169 6.235 -7.822 3.295 1.00 0.00 H new ATOM 0 HE ARG A 169 8.360 -8.005 2.386 1.00 0.00 H new ATOM 0 HH11 ARG A 169 6.535 -10.963 1.738 1.00 0.00 H new ATOM 0 HH12 ARG A 169 7.797 -11.651 0.710 1.00 0.00 H new ATOM 0 HH21 ARG A 169 9.971 -8.900 1.068 1.00 0.00 H new ATOM 0 HH22 ARG A 169 9.732 -10.488 0.333 1.00 0.00 H new ATOM 1701 N THR A 170 3.649 -12.357 3.906 1.00 0.00 N ATOM 1702 CA THR A 170 3.336 -13.747 4.214 1.00 0.00 C ATOM 1703 C THR A 170 4.452 -14.405 5.025 1.00 0.00 C ATOM 1704 O THR A 170 4.332 -15.561 5.430 1.00 0.00 O ATOM 1705 CB THR A 170 3.100 -14.535 2.924 1.00 0.00 C ATOM 1706 OG1 THR A 170 4.330 -14.846 2.295 1.00 0.00 O ATOM 1707 CG2 THR A 170 2.244 -13.796 1.919 1.00 0.00 C ATOM 0 H THR A 170 3.949 -12.194 2.945 1.00 0.00 H new ATOM 0 HA THR A 170 2.427 -13.756 4.816 1.00 0.00 H new ATOM 0 HB THR A 170 2.573 -15.439 3.230 1.00 0.00 H new ATOM 0 HG1 THR A 170 4.159 -15.351 1.473 1.00 0.00 H new ATOM 0 HG21 THR A 170 2.116 -14.411 1.028 1.00 0.00 H new ATOM 0 HG22 THR A 170 1.269 -13.585 2.357 1.00 0.00 H new ATOM 0 HG23 THR A 170 2.730 -12.859 1.647 1.00 0.00 H new ATOM 1715 N THR A 171 5.539 -13.671 5.257 1.00 0.00 N ATOM 1716 CA THR A 171 6.664 -14.204 6.014 1.00 0.00 C ATOM 1717 C THR A 171 7.492 -13.084 6.645 1.00 0.00 C ATOM 1718 O THR A 171 8.650 -12.879 6.280 1.00 0.00 O ATOM 1719 CB THR A 171 7.551 -15.051 5.102 1.00 0.00 C ATOM 1720 OG1 THR A 171 8.673 -15.547 5.811 1.00 0.00 O ATOM 1721 CG2 THR A 171 8.064 -14.287 3.901 1.00 0.00 C ATOM 0 H THR A 171 5.662 -12.712 4.933 1.00 0.00 H new ATOM 0 HA THR A 171 6.265 -14.825 6.816 1.00 0.00 H new ATOM 0 HB THR A 171 6.918 -15.867 4.753 1.00 0.00 H new ATOM 0 HG1 THR A 171 9.198 -14.796 6.160 1.00 0.00 H new ATOM 0 HG21 THR A 171 8.687 -14.942 3.292 1.00 0.00 H new ATOM 0 HG22 THR A 171 7.221 -13.934 3.307 1.00 0.00 H new ATOM 0 HG23 THR A 171 8.654 -13.434 4.237 1.00 0.00 H new ATOM 1729 N PRO A 172 6.914 -12.347 7.609 1.00 0.00 N ATOM 1730 CA PRO A 172 7.615 -11.258 8.287 1.00 0.00 C ATOM 1731 C PRO A 172 8.586 -11.777 9.342 1.00 0.00 C ATOM 1732 O PRO A 172 8.352 -12.819 9.953 1.00 0.00 O ATOM 1733 CB PRO A 172 6.483 -10.468 8.938 1.00 0.00 C ATOM 1734 CG PRO A 172 5.425 -11.482 9.206 1.00 0.00 C ATOM 1735 CD PRO A 172 5.539 -12.520 8.117 1.00 0.00 C ATOM 0 HA PRO A 172 8.225 -10.666 7.604 1.00 0.00 H new ATOM 0 HB2 PRO A 172 6.813 -9.987 9.858 1.00 0.00 H new ATOM 0 HB3 PRO A 172 6.119 -9.680 8.279 1.00 0.00 H new ATOM 0 HG2 PRO A 172 5.561 -11.934 10.188 1.00 0.00 H new ATOM 0 HG3 PRO A 172 4.437 -11.022 9.201 1.00 0.00 H new ATOM 0 HD2 PRO A 172 5.379 -13.526 8.505 1.00 0.00 H new ATOM 0 HD3 PRO A 172 4.799 -12.360 7.332 1.00 0.00 H new