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 Set 1.1: A 150 HIS : no HD1:sc= -0.757 K(o=-0.76,f=-1.5) USER MOD Set 1.2: A 154 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.093) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= -1.58 K(o=-1.6,f=-6.2!) USER MOD Single : A 103 TYR OH : rot 40:sc= -4.43! USER MOD Single : A 105 SER OG : rot 95:sc= 0.00882 USER MOD Single : A 108 ASN : amide:sc= -2.86 X(o=-2.9,f=-2.5) USER MOD Single : A 111 LYS NZ :NH3+ 153:sc= -0.115 (180deg=-0.466) USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 THR OG1 : rot 109:sc= 1.08 USER MOD Single : A 134 SER OG : rot -47:sc= 0.236 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 LYS NZ :NH3+ -145:sc= -0.0634 (180deg=-1.57!) USER MOD Single : A 140 HIS : no HD1:sc= -0.156 X(o=-0.16,f=-0.5) USER MOD Single : A 142 THR OG1 : rot 180:sc= -0.0294 USER MOD Single : A 147 THR OG1 : rot 180:sc= 0 USER MOD Single : A 148 THR OG1 : rot 180:sc= -2.6 USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 SER OG : rot -168:sc= -4.32! USER MOD Single : A 161 ASN : amide:sc= -2.58 K(o=-2.6,f=-3.5) USER MOD Single : A 164 HIS : no HD1:sc= -1.68 K(o=-1.7,f=-5!) 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 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 257 N PRO A 87 -6.260 3.304 -15.822 1.00 0.00 N ATOM 258 CA PRO A 87 -5.155 2.458 -15.372 1.00 0.00 C ATOM 259 C PRO A 87 -3.792 2.986 -15.815 1.00 0.00 C ATOM 260 O PRO A 87 -3.611 3.360 -16.974 1.00 0.00 O ATOM 261 CB PRO A 87 -5.453 1.122 -16.050 1.00 0.00 C ATOM 262 CG PRO A 87 -6.148 1.494 -17.314 1.00 0.00 C ATOM 263 CD PRO A 87 -6.931 2.747 -17.014 1.00 0.00 C ATOM 0 HA PRO A 87 -5.094 2.406 -14.285 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -4.538 0.565 -16.249 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -6.081 0.490 -15.423 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -5.430 1.667 -18.116 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -6.809 0.693 -17.645 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -6.905 3.445 -17.851 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -7.980 2.526 -16.816 1.00 0.00 H new ATOM 271 N PRO A 88 -2.807 3.017 -14.898 1.00 0.00 N ATOM 272 CA PRO A 88 -1.457 3.495 -15.208 1.00 0.00 C ATOM 273 C PRO A 88 -0.672 2.487 -16.041 1.00 0.00 C ATOM 274 O PRO A 88 -1.247 1.556 -16.606 1.00 0.00 O ATOM 275 CB PRO A 88 -0.821 3.657 -13.826 1.00 0.00 C ATOM 276 CG PRO A 88 -1.515 2.648 -12.980 1.00 0.00 C ATOM 277 CD PRO A 88 -2.930 2.586 -13.489 1.00 0.00 C ATOM 0 HA PRO A 88 -1.466 4.411 -15.799 1.00 0.00 H new ATOM 0 HB2 PRO A 88 0.253 3.477 -13.859 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -0.963 4.666 -13.439 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -1.030 1.675 -13.055 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -1.490 2.936 -11.929 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -3.341 1.580 -13.411 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -3.590 3.244 -12.924 1.00 0.00 H new ATOM 285 N ASP A 89 0.643 2.668 -16.106 1.00 0.00 N ATOM 286 CA ASP A 89 1.501 1.777 -16.851 1.00 0.00 C ATOM 287 C ASP A 89 2.396 1.004 -15.896 1.00 0.00 C ATOM 288 O ASP A 89 2.843 1.537 -14.881 1.00 0.00 O ATOM 289 CB ASP A 89 2.354 2.555 -17.860 1.00 0.00 C ATOM 290 CG ASP A 89 2.624 3.986 -17.432 1.00 0.00 C ATOM 291 OD1 ASP A 89 3.159 4.183 -16.322 1.00 0.00 O ATOM 292 OD2 ASP A 89 2.299 4.910 -18.208 1.00 0.00 O1- ATOM 0 H ASP A 89 1.134 3.434 -15.644 1.00 0.00 H new ATOM 0 HA ASP A 89 0.875 1.077 -17.404 1.00 0.00 H new ATOM 0 HB2 ASP A 89 3.304 2.038 -17.999 1.00 0.00 H new ATOM 0 HB3 ASP A 89 1.849 2.560 -18.826 1.00 0.00 H new ATOM 297 N GLU A 90 2.655 -0.252 -16.226 1.00 0.00 N ATOM 298 CA GLU A 90 3.493 -1.106 -15.402 1.00 0.00 C ATOM 299 C GLU A 90 4.795 -0.408 -15.018 1.00 0.00 C ATOM 300 O GLU A 90 5.425 -0.761 -14.021 1.00 0.00 O ATOM 301 CB GLU A 90 3.799 -2.404 -16.139 1.00 0.00 C ATOM 302 CG GLU A 90 4.057 -2.223 -17.627 1.00 0.00 C ATOM 303 CD GLU A 90 2.900 -2.701 -18.482 1.00 0.00 C ATOM 304 OE1 GLU A 90 2.429 -3.836 -18.262 1.00 0.00 O1- ATOM 305 OE2 GLU A 90 2.464 -1.941 -19.372 1.00 0.00 O ATOM 0 H GLU A 90 2.293 -0.704 -17.066 1.00 0.00 H new ATOM 0 HA GLU A 90 2.946 -1.328 -14.486 1.00 0.00 H new ATOM 0 HB2 GLU A 90 4.672 -2.872 -15.683 1.00 0.00 H new ATOM 0 HB3 GLU A 90 2.963 -3.091 -16.006 1.00 0.00 H new ATOM 0 HG2 GLU A 90 4.246 -1.170 -17.834 1.00 0.00 H new ATOM 0 HG3 GLU A 90 4.959 -2.769 -17.905 1.00 0.00 H new ATOM 312 N GLU A 91 5.193 0.586 -15.807 1.00 0.00 N ATOM 313 CA GLU A 91 6.415 1.331 -15.535 1.00 0.00 C ATOM 314 C GLU A 91 6.389 1.886 -14.120 1.00 0.00 C ATOM 315 O GLU A 91 7.314 1.675 -13.333 1.00 0.00 O ATOM 316 CB GLU A 91 6.568 2.479 -16.533 1.00 0.00 C ATOM 317 CG GLU A 91 6.482 2.041 -17.985 1.00 0.00 C ATOM 318 CD GLU A 91 7.845 1.925 -18.639 1.00 0.00 C ATOM 319 OE1 GLU A 91 8.798 1.500 -17.954 1.00 0.00 O ATOM 320 OE2 GLU A 91 7.959 2.259 -19.838 1.00 0.00 O1- ATOM 0 H GLU A 91 4.687 0.893 -16.638 1.00 0.00 H new ATOM 0 HA GLU A 91 7.262 0.653 -15.637 1.00 0.00 H new ATOM 0 HB2 GLU A 91 5.794 3.222 -16.340 1.00 0.00 H new ATOM 0 HB3 GLU A 91 7.528 2.968 -16.366 1.00 0.00 H new ATOM 0 HG2 GLU A 91 5.973 1.079 -18.041 1.00 0.00 H new ATOM 0 HG3 GLU A 91 5.875 2.756 -18.541 1.00 0.00 H new ATOM 327 N LEU A 92 5.314 2.593 -13.806 1.00 0.00 N ATOM 328 CA LEU A 92 5.141 3.186 -12.491 1.00 0.00 C ATOM 329 C LEU A 92 4.690 2.139 -11.474 1.00 0.00 C ATOM 330 O LEU A 92 4.866 2.320 -10.270 1.00 0.00 O ATOM 331 CB LEU A 92 4.129 4.328 -12.564 1.00 0.00 C ATOM 332 CG LEU A 92 4.176 5.326 -11.403 1.00 0.00 C ATOM 333 CD1 LEU A 92 3.596 4.710 -10.141 1.00 0.00 C ATOM 334 CD2 LEU A 92 5.603 5.799 -11.162 1.00 0.00 C ATOM 0 H LEU A 92 4.543 2.770 -14.450 1.00 0.00 H new ATOM 0 HA LEU A 92 6.102 3.582 -12.162 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.288 4.872 -13.495 1.00 0.00 H new ATOM 0 HB3 LEU A 92 3.128 3.900 -12.612 1.00 0.00 H new ATOM 0 HG LEU A 92 3.568 6.190 -11.670 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.639 5.436 -9.329 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.559 4.425 -10.319 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.173 3.826 -9.869 1.00 0.00 H new ATOM 0 HD21 LEU A 92 5.617 6.507 -10.334 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.234 4.944 -10.919 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.982 6.285 -12.061 1.00 0.00 H new ATOM 346 N ILE A 93 4.113 1.040 -11.960 1.00 0.00 N ATOM 347 CA ILE A 93 3.652 -0.021 -11.079 1.00 0.00 C ATOM 348 C ILE A 93 4.828 -0.790 -10.493 1.00 0.00 C ATOM 349 O ILE A 93 4.825 -1.144 -9.313 1.00 0.00 O ATOM 350 CB ILE A 93 2.720 -0.999 -11.818 1.00 0.00 C ATOM 351 CG1 ILE A 93 1.582 -0.232 -12.492 1.00 0.00 C ATOM 352 CG2 ILE A 93 2.170 -2.039 -10.856 1.00 0.00 C ATOM 353 CD1 ILE A 93 0.690 -1.101 -13.347 1.00 0.00 C ATOM 0 H ILE A 93 3.957 0.866 -12.953 1.00 0.00 H new ATOM 0 HA ILE A 93 3.094 0.452 -10.271 1.00 0.00 H new ATOM 0 HB ILE A 93 3.293 -1.517 -12.587 1.00 0.00 H new ATOM 0 HG12 ILE A 93 0.977 0.252 -11.725 1.00 0.00 H new ATOM 0 HG13 ILE A 93 2.005 0.560 -13.111 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.513 -2.722 -11.395 1.00 0.00 H new ATOM 0 HG22 ILE A 93 2.995 -2.600 -10.416 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.607 -1.542 -10.066 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -0.094 -0.489 -13.793 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.282 -1.564 -14.136 1.00 0.00 H new ATOM 0 HD13 ILE A 93 0.238 -1.877 -12.729 1.00 0.00 H new ATOM 365 N LYS A 94 5.836 -1.042 -11.321 1.00 0.00 N ATOM 366 CA LYS A 94 7.020 -1.763 -10.875 1.00 0.00 C ATOM 367 C LYS A 94 7.811 -0.922 -9.880 1.00 0.00 C ATOM 368 O LYS A 94 8.369 -1.445 -8.916 1.00 0.00 O ATOM 369 CB LYS A 94 7.901 -2.136 -12.070 1.00 0.00 C ATOM 370 CG LYS A 94 8.433 -3.560 -12.013 1.00 0.00 C ATOM 371 CD LYS A 94 7.718 -4.464 -13.004 1.00 0.00 C ATOM 372 CE LYS A 94 6.557 -5.198 -12.353 1.00 0.00 C ATOM 373 NZ LYS A 94 5.292 -4.417 -12.431 1.00 0.00 N1+ ATOM 0 H LYS A 94 5.856 -0.759 -12.301 1.00 0.00 H new ATOM 0 HA LYS A 94 6.699 -2.679 -10.380 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.327 -2.008 -12.988 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.742 -1.444 -12.121 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.502 -3.559 -12.226 1.00 0.00 H new ATOM 0 HG3 LYS A 94 8.310 -3.955 -11.005 1.00 0.00 H new ATOM 0 HD2 LYS A 94 7.351 -3.870 -13.840 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.424 -5.187 -13.413 1.00 0.00 H new ATOM 0 HE2 LYS A 94 6.418 -6.163 -12.841 1.00 0.00 H new ATOM 0 HE3 LYS A 94 6.795 -5.400 -11.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 4.679 -4.668 -11.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 5.509 -3.400 -12.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 4.803 -4.637 -13.322 1.00 0.00 H new ATOM 387 N LYS A 95 7.842 0.387 -10.111 1.00 0.00 N ATOM 388 CA LYS A 95 8.551 1.297 -9.219 1.00 0.00 C ATOM 389 C LYS A 95 7.921 1.258 -7.833 1.00 0.00 C ATOM 390 O LYS A 95 8.598 1.009 -6.835 1.00 0.00 O ATOM 391 CB LYS A 95 8.520 2.723 -9.773 1.00 0.00 C ATOM 392 CG LYS A 95 9.717 3.062 -10.648 1.00 0.00 C ATOM 393 CD LYS A 95 10.389 4.351 -10.202 1.00 0.00 C ATOM 394 CE LYS A 95 10.841 5.184 -11.391 1.00 0.00 C ATOM 395 NZ LYS A 95 12.282 4.972 -11.701 1.00 0.00 N1+ ATOM 0 H LYS A 95 7.387 0.839 -10.904 1.00 0.00 H new ATOM 0 HA LYS A 95 9.591 0.978 -9.147 1.00 0.00 H new ATOM 0 HB2 LYS A 95 7.607 2.859 -10.352 1.00 0.00 H new ATOM 0 HB3 LYS A 95 8.478 3.426 -8.941 1.00 0.00 H new ATOM 0 HG2 LYS A 95 10.437 2.245 -10.613 1.00 0.00 H new ATOM 0 HG3 LYS A 95 9.395 3.159 -11.685 1.00 0.00 H new ATOM 0 HD2 LYS A 95 9.697 4.931 -9.592 1.00 0.00 H new ATOM 0 HD3 LYS A 95 11.248 4.116 -9.573 1.00 0.00 H new ATOM 0 HE2 LYS A 95 10.240 4.927 -12.264 1.00 0.00 H new ATOM 0 HE3 LYS A 95 10.666 6.239 -11.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 12.551 5.557 -12.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 12.857 5.241 -10.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 12.445 3.970 -11.925 1.00 0.00 H new ATOM 409 N LEU A 96 6.614 1.495 -7.785 1.00 0.00 N ATOM 410 CA LEU A 96 5.869 1.479 -6.534 1.00 0.00 C ATOM 411 C LEU A 96 6.085 0.168 -5.789 1.00 0.00 C ATOM 412 O LEU A 96 6.608 0.146 -4.675 1.00 0.00 O ATOM 413 CB LEU A 96 4.380 1.655 -6.823 1.00 0.00 C ATOM 414 CG LEU A 96 3.771 2.932 -6.281 1.00 0.00 C ATOM 415 CD1 LEU A 96 2.671 3.430 -7.203 1.00 0.00 C ATOM 416 CD2 LEU A 96 3.244 2.709 -4.873 1.00 0.00 C ATOM 0 H LEU A 96 6.046 1.702 -8.607 1.00 0.00 H new ATOM 0 HA LEU A 96 6.228 2.298 -5.910 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.229 1.627 -7.902 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.841 0.806 -6.403 1.00 0.00 H new ATOM 0 HG LEU A 96 4.545 3.698 -6.237 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.245 4.348 -6.798 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.086 3.628 -8.191 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.892 2.672 -7.282 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.809 3.635 -4.496 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.481 1.930 -4.889 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.063 2.402 -4.222 1.00 0.00 H new ATOM 428 N VAL A 97 5.665 -0.923 -6.418 1.00 0.00 N ATOM 429 CA VAL A 97 5.793 -2.250 -5.834 1.00 0.00 C ATOM 430 C VAL A 97 7.209 -2.503 -5.324 1.00 0.00 C ATOM 431 O VAL A 97 7.410 -3.239 -4.358 1.00 0.00 O ATOM 432 CB VAL A 97 5.411 -3.337 -6.853 1.00 0.00 C ATOM 433 CG1 VAL A 97 6.426 -3.401 -7.983 1.00 0.00 C ATOM 434 CG2 VAL A 97 5.278 -4.684 -6.166 1.00 0.00 C ATOM 0 H VAL A 97 5.229 -0.912 -7.340 1.00 0.00 H new ATOM 0 HA VAL A 97 5.107 -2.296 -4.988 1.00 0.00 H new ATOM 0 HB VAL A 97 4.445 -3.077 -7.286 1.00 0.00 H new ATOM 0 HG11 VAL A 97 6.134 -4.177 -8.691 1.00 0.00 H new ATOM 0 HG12 VAL A 97 6.463 -2.439 -8.494 1.00 0.00 H new ATOM 0 HG13 VAL A 97 7.410 -3.633 -7.576 1.00 0.00 H new ATOM 0 HG21 VAL A 97 5.007 -5.442 -6.901 1.00 0.00 H new ATOM 0 HG22 VAL A 97 6.227 -4.951 -5.702 1.00 0.00 H new ATOM 0 HG23 VAL A 97 4.504 -4.627 -5.401 1.00 0.00 H new ATOM 444 N ASP A 98 8.188 -1.885 -5.978 1.00 0.00 N ATOM 445 CA ASP A 98 9.582 -2.041 -5.588 1.00 0.00 C ATOM 446 C ASP A 98 9.828 -1.438 -4.209 1.00 0.00 C ATOM 447 O ASP A 98 10.702 -1.890 -3.468 1.00 0.00 O ATOM 448 CB ASP A 98 10.500 -1.380 -6.618 1.00 0.00 C ATOM 449 CG ASP A 98 11.948 -1.799 -6.455 1.00 0.00 C ATOM 450 OD1 ASP A 98 12.327 -2.850 -7.011 1.00 0.00 O ATOM 451 OD2 ASP A 98 12.703 -1.074 -5.772 1.00 0.00 O1- ATOM 0 H ASP A 98 8.040 -1.272 -6.780 1.00 0.00 H new ATOM 0 HA ASP A 98 9.806 -3.107 -5.546 1.00 0.00 H new ATOM 0 HB2 ASP A 98 10.161 -1.638 -7.621 1.00 0.00 H new ATOM 0 HB3 ASP A 98 10.425 -0.297 -6.525 1.00 0.00 H new ATOM 456 N GLN A 99 9.049 -0.415 -3.867 1.00 0.00 N ATOM 457 CA GLN A 99 9.183 0.245 -2.577 1.00 0.00 C ATOM 458 C GLN A 99 8.622 -0.629 -1.464 1.00 0.00 C ATOM 459 O GLN A 99 9.093 -0.580 -0.327 1.00 0.00 O ATOM 460 CB GLN A 99 8.466 1.598 -2.594 1.00 0.00 C ATOM 461 CG GLN A 99 9.371 2.761 -2.967 1.00 0.00 C ATOM 462 CD GLN A 99 10.506 2.956 -1.981 1.00 0.00 C ATOM 463 OE1 GLN A 99 10.403 2.577 -0.814 1.00 0.00 O ATOM 464 NE2 GLN A 99 11.598 3.551 -2.447 1.00 0.00 N ATOM 0 H GLN A 99 8.320 -0.028 -4.466 1.00 0.00 H new ATOM 0 HA GLN A 99 10.244 0.410 -2.387 1.00 0.00 H new ATOM 0 HB2 GLN A 99 7.637 1.552 -3.301 1.00 0.00 H new ATOM 0 HB3 GLN A 99 8.036 1.784 -1.610 1.00 0.00 H new ATOM 0 HG2 GLN A 99 9.784 2.591 -3.961 1.00 0.00 H new ATOM 0 HG3 GLN A 99 8.779 3.675 -3.019 1.00 0.00 H new ATOM 0 HE21 GLN A 99 11.640 3.849 -3.422 1.00 0.00 H new ATOM 0 HE22 GLN A 99 12.395 3.710 -1.830 1.00 0.00 H new ATOM 473 N ILE A 100 7.612 -1.427 -1.794 1.00 0.00 N ATOM 474 CA ILE A 100 6.992 -2.306 -0.821 1.00 0.00 C ATOM 475 C ILE A 100 7.915 -3.442 -0.447 1.00 0.00 C ATOM 476 O ILE A 100 8.349 -3.563 0.696 1.00 0.00 O ATOM 477 CB ILE A 100 5.681 -2.905 -1.355 1.00 0.00 C ATOM 478 CG1 ILE A 100 4.880 -1.863 -2.134 1.00 0.00 C ATOM 479 CG2 ILE A 100 4.861 -3.447 -0.204 1.00 0.00 C ATOM 480 CD1 ILE A 100 4.732 -0.559 -1.391 1.00 0.00 C ATOM 0 H ILE A 100 7.208 -1.480 -2.729 1.00 0.00 H new ATOM 0 HA ILE A 100 6.781 -1.696 0.057 1.00 0.00 H new ATOM 0 HB ILE A 100 5.924 -3.719 -2.037 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.369 -1.677 -3.090 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.891 -2.264 -2.355 1.00 0.00 H new ATOM 0 HG21 ILE A 100 3.932 -3.871 -0.587 1.00 0.00 H new ATOM 0 HG22 ILE A 100 5.427 -4.222 0.313 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.632 -2.640 0.491 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.154 0.140 -1.995 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.217 -0.735 -0.447 1.00 0.00 H new ATOM 0 HD13 ILE A 100 5.718 -0.139 -1.193 1.00 0.00 H new ATOM 492 N GLU A 101 8.229 -4.267 -1.425 1.00 0.00 N ATOM 493 CA GLU A 101 9.124 -5.393 -1.201 1.00 0.00 C ATOM 494 C GLU A 101 10.395 -4.921 -0.498 1.00 0.00 C ATOM 495 O GLU A 101 11.076 -5.696 0.172 1.00 0.00 O ATOM 496 CB GLU A 101 9.484 -6.062 -2.530 1.00 0.00 C ATOM 497 CG GLU A 101 10.365 -7.291 -2.373 1.00 0.00 C ATOM 498 CD GLU A 101 11.830 -6.994 -2.629 1.00 0.00 C ATOM 499 OE1 GLU A 101 12.506 -6.501 -1.702 1.00 0.00 O1- ATOM 500 OE2 GLU A 101 12.300 -7.255 -3.756 1.00 0.00 O ATOM 0 H GLU A 101 7.881 -4.183 -2.380 1.00 0.00 H new ATOM 0 HA GLU A 101 8.614 -6.120 -0.568 1.00 0.00 H new ATOM 0 HB2 GLU A 101 8.566 -6.346 -3.045 1.00 0.00 H new ATOM 0 HB3 GLU A 101 9.994 -5.338 -3.165 1.00 0.00 H new ATOM 0 HG2 GLU A 101 10.250 -7.690 -1.365 1.00 0.00 H new ATOM 0 HG3 GLU A 101 10.029 -8.065 -3.063 1.00 0.00 H new ATOM 507 N PHE A 102 10.702 -3.635 -0.665 1.00 0.00 N ATOM 508 CA PHE A 102 11.888 -3.042 -0.056 1.00 0.00 C ATOM 509 C PHE A 102 11.625 -2.552 1.366 1.00 0.00 C ATOM 510 O PHE A 102 12.468 -2.711 2.249 1.00 0.00 O ATOM 511 CB PHE A 102 12.394 -1.884 -0.915 1.00 0.00 C ATOM 512 CG PHE A 102 13.699 -1.310 -0.442 1.00 0.00 C ATOM 513 CD1 PHE A 102 14.903 -1.842 -0.874 1.00 0.00 C ATOM 514 CD2 PHE A 102 13.720 -0.237 0.435 1.00 0.00 C ATOM 515 CE1 PHE A 102 16.104 -1.316 -0.441 1.00 0.00 C ATOM 516 CE2 PHE A 102 14.920 0.294 0.873 1.00 0.00 C ATOM 517 CZ PHE A 102 16.113 -0.246 0.435 1.00 0.00 C ATOM 0 H PHE A 102 10.144 -2.985 -1.218 1.00 0.00 H new ATOM 0 HA PHE A 102 12.647 -3.822 -0.000 1.00 0.00 H new ATOM 0 HB2 PHE A 102 12.509 -2.228 -1.943 1.00 0.00 H new ATOM 0 HB3 PHE A 102 11.642 -1.095 -0.926 1.00 0.00 H new ATOM 0 HD1 PHE A 102 14.902 -2.678 -1.558 1.00 0.00 H new ATOM 0 HD2 PHE A 102 12.790 0.189 0.780 1.00 0.00 H new ATOM 0 HE1 PHE A 102 17.035 -1.740 -0.786 1.00 0.00 H new ATOM 0 HE2 PHE A 102 14.924 1.130 1.557 1.00 0.00 H new ATOM 0 HZ PHE A 102 17.051 0.166 0.776 1.00 0.00 H new ATOM 527 N TYR A 103 10.470 -1.926 1.575 1.00 0.00 N ATOM 528 CA TYR A 103 10.128 -1.381 2.886 1.00 0.00 C ATOM 529 C TYR A 103 9.662 -2.457 3.853 1.00 0.00 C ATOM 530 O TYR A 103 9.625 -2.246 5.065 1.00 0.00 O ATOM 531 CB TYR A 103 9.111 -0.236 2.746 1.00 0.00 C ATOM 532 CG TYR A 103 7.646 -0.598 2.510 1.00 0.00 C ATOM 533 CD1 TYR A 103 7.178 -1.910 2.446 1.00 0.00 C ATOM 534 CD2 TYR A 103 6.715 0.424 2.349 1.00 0.00 C ATOM 535 CE1 TYR A 103 5.847 -2.183 2.233 1.00 0.00 C ATOM 536 CE2 TYR A 103 5.379 0.153 2.135 1.00 0.00 C ATOM 537 CZ TYR A 103 4.950 -1.152 2.080 1.00 0.00 C ATOM 538 OH TYR A 103 3.618 -1.425 1.868 1.00 0.00 O ATOM 0 H TYR A 103 9.759 -1.784 0.858 1.00 0.00 H new ATOM 0 HA TYR A 103 11.036 -0.965 3.322 1.00 0.00 H new ATOM 0 HB2 TYR A 103 9.163 0.368 3.652 1.00 0.00 H new ATOM 0 HB3 TYR A 103 9.435 0.398 1.921 1.00 0.00 H new ATOM 0 HD1 TYR A 103 7.874 -2.727 2.566 1.00 0.00 H new ATOM 0 HD2 TYR A 103 7.045 1.451 2.392 1.00 0.00 H new ATOM 0 HE1 TYR A 103 5.506 -3.207 2.186 1.00 0.00 H new ATOM 0 HE2 TYR A 103 4.674 0.962 2.011 1.00 0.00 H new ATOM 0 HH TYR A 103 3.345 -2.179 2.431 1.00 0.00 H new ATOM 548 N PHE A 104 9.325 -3.616 3.313 1.00 0.00 N ATOM 549 CA PHE A 104 8.885 -4.730 4.133 1.00 0.00 C ATOM 550 C PHE A 104 10.076 -5.575 4.571 1.00 0.00 C ATOM 551 O PHE A 104 9.931 -6.506 5.362 1.00 0.00 O ATOM 552 CB PHE A 104 7.871 -5.589 3.375 1.00 0.00 C ATOM 553 CG PHE A 104 6.589 -5.810 4.126 1.00 0.00 C ATOM 554 CD1 PHE A 104 6.607 -6.130 5.474 1.00 0.00 C ATOM 555 CD2 PHE A 104 5.367 -5.698 3.483 1.00 0.00 C ATOM 556 CE1 PHE A 104 5.429 -6.335 6.167 1.00 0.00 C ATOM 557 CE2 PHE A 104 4.186 -5.902 4.170 1.00 0.00 C ATOM 558 CZ PHE A 104 4.217 -6.220 5.514 1.00 0.00 C ATOM 0 H PHE A 104 9.348 -3.809 2.312 1.00 0.00 H new ATOM 0 HA PHE A 104 8.400 -4.329 5.023 1.00 0.00 H new ATOM 0 HB2 PHE A 104 7.646 -5.113 2.421 1.00 0.00 H new ATOM 0 HB3 PHE A 104 8.322 -6.556 3.151 1.00 0.00 H new ATOM 0 HD1 PHE A 104 7.552 -6.220 5.989 1.00 0.00 H new ATOM 0 HD2 PHE A 104 5.337 -5.448 2.433 1.00 0.00 H new ATOM 0 HE1 PHE A 104 5.456 -6.585 7.217 1.00 0.00 H new ATOM 0 HE2 PHE A 104 3.240 -5.813 3.657 1.00 0.00 H new ATOM 0 HZ PHE A 104 3.295 -6.379 6.054 1.00 0.00 H new ATOM 568 N SER A 105 11.256 -5.235 4.063 1.00 0.00 N ATOM 569 CA SER A 105 12.471 -5.959 4.421 1.00 0.00 C ATOM 570 C SER A 105 12.731 -5.845 5.921 1.00 0.00 C ATOM 571 O SER A 105 12.444 -4.815 6.529 1.00 0.00 O ATOM 572 CB SER A 105 13.667 -5.414 3.639 1.00 0.00 C ATOM 573 OG SER A 105 13.541 -5.689 2.254 1.00 0.00 O ATOM 0 H SER A 105 11.397 -4.468 3.406 1.00 0.00 H new ATOM 0 HA SER A 105 12.336 -7.010 4.165 1.00 0.00 H new ATOM 0 HB2 SER A 105 13.746 -4.338 3.793 1.00 0.00 H new ATOM 0 HB3 SER A 105 14.587 -5.859 4.019 1.00 0.00 H new ATOM 0 HG SER A 105 13.137 -4.919 1.803 1.00 0.00 H new ATOM 579 N ASP A 106 13.268 -6.909 6.516 1.00 0.00 N ATOM 580 CA ASP A 106 13.558 -6.925 7.951 1.00 0.00 C ATOM 581 C ASP A 106 14.220 -5.618 8.402 1.00 0.00 C ATOM 582 O ASP A 106 13.847 -5.033 9.420 1.00 0.00 O ATOM 583 CB ASP A 106 14.471 -8.109 8.295 1.00 0.00 C ATOM 584 CG ASP A 106 15.889 -7.929 7.782 1.00 0.00 C ATOM 585 OD1 ASP A 106 16.075 -7.913 6.547 1.00 0.00 O1- ATOM 586 OD2 ASP A 106 16.810 -7.806 8.615 1.00 0.00 O ATOM 0 H ASP A 106 13.511 -7.771 6.028 1.00 0.00 H new ATOM 0 HA ASP A 106 12.610 -7.030 8.479 1.00 0.00 H new ATOM 0 HB2 ASP A 106 14.495 -8.241 9.377 1.00 0.00 H new ATOM 0 HB3 ASP A 106 14.050 -9.021 7.872 1.00 0.00 H new ATOM 591 N GLU A 107 15.211 -5.183 7.631 1.00 0.00 N ATOM 592 CA GLU A 107 15.952 -3.962 7.929 1.00 0.00 C ATOM 593 C GLU A 107 15.127 -2.712 7.665 1.00 0.00 C ATOM 594 O GLU A 107 15.430 -1.636 8.179 1.00 0.00 O ATOM 595 CB GLU A 107 17.215 -3.914 7.079 1.00 0.00 C ATOM 596 CG GLU A 107 18.172 -5.057 7.354 1.00 0.00 C ATOM 597 CD GLU A 107 18.941 -4.879 8.649 1.00 0.00 C ATOM 598 OE1 GLU A 107 18.324 -5.007 9.727 1.00 0.00 O ATOM 599 OE2 GLU A 107 20.158 -4.611 8.584 1.00 0.00 O1- ATOM 0 H GLU A 107 15.522 -5.663 6.787 1.00 0.00 H new ATOM 0 HA GLU A 107 16.203 -3.981 8.990 1.00 0.00 H new ATOM 0 HB2 GLU A 107 16.935 -3.930 6.026 1.00 0.00 H new ATOM 0 HB3 GLU A 107 17.729 -2.969 7.258 1.00 0.00 H new ATOM 0 HG2 GLU A 107 17.613 -5.992 7.394 1.00 0.00 H new ATOM 0 HG3 GLU A 107 18.877 -5.142 6.527 1.00 0.00 H new ATOM 606 N ASN A 108 14.089 -2.855 6.857 1.00 0.00 N ATOM 607 CA ASN A 108 13.229 -1.727 6.522 1.00 0.00 C ATOM 608 C ASN A 108 12.073 -1.616 7.505 1.00 0.00 C ATOM 609 O ASN A 108 11.431 -0.572 7.613 1.00 0.00 O ATOM 610 CB ASN A 108 12.700 -1.862 5.095 1.00 0.00 C ATOM 611 CG ASN A 108 13.504 -1.042 4.104 1.00 0.00 C ATOM 612 OD1 ASN A 108 14.420 -1.552 3.458 1.00 0.00 O ATOM 613 ND2 ASN A 108 13.167 0.236 3.982 1.00 0.00 N ATOM 0 H ASN A 108 13.820 -3.737 6.421 1.00 0.00 H new ATOM 0 HA ASN A 108 13.824 -0.816 6.589 1.00 0.00 H new ATOM 0 HB2 ASN A 108 12.723 -2.911 4.799 1.00 0.00 H new ATOM 0 HB3 ASN A 108 11.658 -1.545 5.065 1.00 0.00 H new ATOM 0 HD21 ASN A 108 13.674 0.837 3.333 1.00 0.00 H new ATOM 0 HD22 ASN A 108 12.401 0.617 4.537 1.00 0.00 H new ATOM 620 N LEU A 109 11.823 -2.699 8.231 1.00 0.00 N ATOM 621 CA LEU A 109 10.766 -2.732 9.211 1.00 0.00 C ATOM 622 C LEU A 109 11.162 -1.923 10.425 1.00 0.00 C ATOM 623 O LEU A 109 10.430 -1.037 10.865 1.00 0.00 O ATOM 624 CB LEU A 109 10.496 -4.166 9.602 1.00 0.00 C ATOM 625 CG LEU A 109 9.483 -4.879 8.724 1.00 0.00 C ATOM 626 CD1 LEU A 109 8.114 -4.809 9.368 1.00 0.00 C ATOM 627 CD2 LEU A 109 9.436 -4.282 7.325 1.00 0.00 C ATOM 0 H LEU A 109 12.349 -3.570 8.151 1.00 0.00 H new ATOM 0 HA LEU A 109 9.860 -2.298 8.787 1.00 0.00 H new ATOM 0 HB2 LEU A 109 11.435 -4.719 9.575 1.00 0.00 H new ATOM 0 HB3 LEU A 109 10.143 -4.188 10.633 1.00 0.00 H new ATOM 0 HG LEU A 109 9.790 -5.920 8.627 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.388 -5.321 8.736 1.00 0.00 H new ATOM 0 HD12 LEU A 109 8.147 -5.289 10.346 1.00 0.00 H new ATOM 0 HD13 LEU A 109 7.820 -3.766 9.486 1.00 0.00 H new ATOM 0 HD21 LEU A 109 8.700 -4.818 6.725 1.00 0.00 H new ATOM 0 HD22 LEU A 109 9.157 -3.230 7.387 1.00 0.00 H new ATOM 0 HD23 LEU A 109 10.417 -4.370 6.859 1.00 0.00 H new ATOM 639 N GLU A 110 12.345 -2.221 10.952 1.00 0.00 N ATOM 640 CA GLU A 110 12.855 -1.508 12.101 1.00 0.00 C ATOM 641 C GLU A 110 12.882 -0.005 11.830 1.00 0.00 C ATOM 642 O GLU A 110 13.036 0.801 12.748 1.00 0.00 O ATOM 643 CB GLU A 110 14.257 -1.985 12.503 1.00 0.00 C ATOM 644 CG GLU A 110 14.735 -3.254 11.822 1.00 0.00 C ATOM 645 CD GLU A 110 16.194 -3.558 12.108 1.00 0.00 C ATOM 646 OE1 GLU A 110 16.822 -2.795 12.874 1.00 0.00 O ATOM 647 OE2 GLU A 110 16.708 -4.559 11.568 1.00 0.00 O1- ATOM 0 H GLU A 110 12.962 -2.951 10.597 1.00 0.00 H new ATOM 0 HA GLU A 110 12.180 -1.718 12.930 1.00 0.00 H new ATOM 0 HB2 GLU A 110 14.969 -1.188 12.288 1.00 0.00 H new ATOM 0 HB3 GLU A 110 14.273 -2.144 13.581 1.00 0.00 H new ATOM 0 HG2 GLU A 110 14.122 -4.092 12.153 1.00 0.00 H new ATOM 0 HG3 GLU A 110 14.592 -3.160 10.746 1.00 0.00 H new ATOM 654 N LYS A 111 12.737 0.364 10.557 1.00 0.00 N ATOM 655 CA LYS A 111 12.747 1.758 10.154 1.00 0.00 C ATOM 656 C LYS A 111 11.359 2.209 9.710 1.00 0.00 C ATOM 657 O LYS A 111 11.045 3.399 9.740 1.00 0.00 O ATOM 658 CB LYS A 111 13.746 1.955 9.016 1.00 0.00 C ATOM 659 CG LYS A 111 15.137 2.337 9.490 1.00 0.00 C ATOM 660 CD LYS A 111 15.145 3.706 10.151 1.00 0.00 C ATOM 661 CE LYS A 111 15.118 3.596 11.667 1.00 0.00 C ATOM 662 NZ LYS A 111 14.025 4.412 12.264 1.00 0.00 N1+ ATOM 0 H LYS A 111 12.611 -0.293 9.787 1.00 0.00 H new ATOM 0 HA LYS A 111 13.044 2.363 11.011 1.00 0.00 H new ATOM 0 HB2 LYS A 111 13.809 1.035 8.435 1.00 0.00 H new ATOM 0 HB3 LYS A 111 13.373 2.730 8.346 1.00 0.00 H new ATOM 0 HG2 LYS A 111 15.500 1.589 10.195 1.00 0.00 H new ATOM 0 HG3 LYS A 111 15.824 2.337 8.643 1.00 0.00 H new ATOM 0 HD2 LYS A 111 16.034 4.255 9.841 1.00 0.00 H new ATOM 0 HD3 LYS A 111 14.282 4.279 9.812 1.00 0.00 H new ATOM 0 HE2 LYS A 111 14.989 2.552 11.953 1.00 0.00 H new ATOM 0 HE3 LYS A 111 16.076 3.921 12.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 13.735 3.994 13.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 14.363 5.383 12.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 13.212 4.430 11.616 1.00 0.00 H new ATOM 676 N ASP A 112 10.531 1.253 9.292 1.00 0.00 N ATOM 677 CA ASP A 112 9.182 1.563 8.839 1.00 0.00 C ATOM 678 C ASP A 112 8.139 0.970 9.772 1.00 0.00 C ATOM 679 O ASP A 112 7.535 -0.066 9.485 1.00 0.00 O ATOM 680 CB ASP A 112 8.972 1.053 7.420 1.00 0.00 C ATOM 681 CG ASP A 112 7.603 1.402 6.871 1.00 0.00 C ATOM 682 OD1 ASP A 112 6.767 1.919 7.642 1.00 0.00 O1- ATOM 683 OD2 ASP A 112 7.367 1.159 5.669 1.00 0.00 O ATOM 0 H ASP A 112 10.772 0.262 9.259 1.00 0.00 H new ATOM 0 HA ASP A 112 9.064 2.647 8.847 1.00 0.00 H new ATOM 0 HB2 ASP A 112 9.738 1.474 6.769 1.00 0.00 H new ATOM 0 HB3 ASP A 112 9.100 -0.029 7.404 1.00 0.00 H new ATOM 688 N ALA A 113 7.934 1.647 10.887 1.00 0.00 N ATOM 689 CA ALA A 113 6.961 1.214 11.880 1.00 0.00 C ATOM 690 C ALA A 113 5.548 1.592 11.451 1.00 0.00 C ATOM 691 O ALA A 113 4.592 0.864 11.717 1.00 0.00 O ATOM 692 CB ALA A 113 7.286 1.818 13.237 1.00 0.00 C ATOM 0 H ALA A 113 8.430 2.504 11.131 1.00 0.00 H new ATOM 0 HA ALA A 113 7.013 0.128 11.962 1.00 0.00 H new ATOM 0 HB1 ALA A 113 6.550 1.485 13.969 1.00 0.00 H new ATOM 0 HB2 ALA A 113 8.280 1.497 13.550 1.00 0.00 H new ATOM 0 HB3 ALA A 113 7.262 2.905 13.166 1.00 0.00 H new ATOM 698 N PHE A 114 5.424 2.733 10.781 1.00 0.00 N ATOM 699 CA PHE A 114 4.126 3.201 10.310 1.00 0.00 C ATOM 700 C PHE A 114 3.460 2.151 9.426 1.00 0.00 C ATOM 701 O PHE A 114 2.236 2.104 9.318 1.00 0.00 O ATOM 702 CB PHE A 114 4.273 4.520 9.545 1.00 0.00 C ATOM 703 CG PHE A 114 5.339 4.493 8.486 1.00 0.00 C ATOM 704 CD1 PHE A 114 6.643 4.854 8.787 1.00 0.00 C ATOM 705 CD2 PHE A 114 5.036 4.113 7.188 1.00 0.00 C ATOM 706 CE1 PHE A 114 7.625 4.834 7.815 1.00 0.00 C ATOM 707 CE2 PHE A 114 6.013 4.092 6.211 1.00 0.00 C ATOM 708 CZ PHE A 114 7.309 4.452 6.525 1.00 0.00 C ATOM 0 H PHE A 114 6.204 3.349 10.553 1.00 0.00 H new ATOM 0 HA PHE A 114 3.493 3.372 11.181 1.00 0.00 H new ATOM 0 HB2 PHE A 114 3.319 4.768 9.080 1.00 0.00 H new ATOM 0 HB3 PHE A 114 4.499 5.317 10.254 1.00 0.00 H new ATOM 0 HD1 PHE A 114 6.895 5.155 9.793 1.00 0.00 H new ATOM 0 HD2 PHE A 114 4.024 3.830 6.937 1.00 0.00 H new ATOM 0 HE1 PHE A 114 8.638 5.116 8.063 1.00 0.00 H new ATOM 0 HE2 PHE A 114 5.764 3.794 5.203 1.00 0.00 H new ATOM 0 HZ PHE A 114 8.074 4.435 5.763 1.00 0.00 H new ATOM 718 N LEU A 115 4.274 1.305 8.799 1.00 0.00 N ATOM 719 CA LEU A 115 3.759 0.251 7.932 1.00 0.00 C ATOM 720 C LEU A 115 3.360 -0.976 8.747 1.00 0.00 C ATOM 721 O LEU A 115 2.203 -1.394 8.731 1.00 0.00 O ATOM 722 CB LEU A 115 4.800 -0.139 6.880 1.00 0.00 C ATOM 723 CG LEU A 115 4.246 -0.904 5.676 1.00 0.00 C ATOM 724 CD1 LEU A 115 3.719 0.067 4.632 1.00 0.00 C ATOM 725 CD2 LEU A 115 5.311 -1.814 5.077 1.00 0.00 C ATOM 0 H LEU A 115 5.291 1.329 8.876 1.00 0.00 H new ATOM 0 HA LEU A 115 2.874 0.637 7.426 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.290 0.766 6.522 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.567 -0.749 7.358 1.00 0.00 H new ATOM 0 HG LEU A 115 3.420 -1.530 6.015 1.00 0.00 H new ATOM 0 HD11 LEU A 115 3.328 -0.491 3.781 1.00 0.00 H new ATOM 0 HD12 LEU A 115 2.923 0.672 5.066 1.00 0.00 H new ATOM 0 HD13 LEU A 115 4.528 0.717 4.299 1.00 0.00 H new ATOM 0 HD21 LEU A 115 4.895 -2.348 4.223 1.00 0.00 H new ATOM 0 HD22 LEU A 115 6.161 -1.214 4.751 1.00 0.00 H new ATOM 0 HD23 LEU A 115 5.640 -2.532 5.828 1.00 0.00 H new ATOM 737 N LEU A 116 4.329 -1.554 9.452 1.00 0.00 N ATOM 738 CA LEU A 116 4.078 -2.741 10.264 1.00 0.00 C ATOM 739 C LEU A 116 3.509 -2.375 11.633 1.00 0.00 C ATOM 740 O LEU A 116 2.411 -2.797 11.992 1.00 0.00 O ATOM 741 CB LEU A 116 5.366 -3.547 10.436 1.00 0.00 C ATOM 742 CG LEU A 116 5.166 -5.051 10.623 1.00 0.00 C ATOM 743 CD1 LEU A 116 4.390 -5.331 11.902 1.00 0.00 C ATOM 744 CD2 LEU A 116 4.447 -5.645 9.421 1.00 0.00 C ATOM 0 H LEU A 116 5.293 -1.221 9.477 1.00 0.00 H new ATOM 0 HA LEU A 116 3.338 -3.347 9.742 1.00 0.00 H new ATOM 0 HB2 LEU A 116 5.998 -3.385 9.562 1.00 0.00 H new ATOM 0 HB3 LEU A 116 5.908 -3.158 11.298 1.00 0.00 H new ATOM 0 HG LEU A 116 6.146 -5.522 10.706 1.00 0.00 H new ATOM 0 HD11 LEU A 116 4.257 -6.407 12.019 1.00 0.00 H new ATOM 0 HD12 LEU A 116 4.942 -4.939 12.756 1.00 0.00 H new ATOM 0 HD13 LEU A 116 3.414 -4.848 11.849 1.00 0.00 H new ATOM 0 HD21 LEU A 116 4.313 -6.716 9.570 1.00 0.00 H new ATOM 0 HD22 LEU A 116 3.473 -5.169 9.308 1.00 0.00 H new ATOM 0 HD23 LEU A 116 5.040 -5.475 8.522 1.00 0.00 H new ATOM 922 N TYR A 126 -0.675 -6.638 8.826 1.00 0.00 N ATOM 923 CA TYR A 126 -1.542 -6.139 7.764 1.00 0.00 C ATOM 924 C TYR A 126 -1.338 -4.643 7.551 1.00 0.00 C ATOM 925 O TYR A 126 -1.484 -3.849 8.480 1.00 0.00 O ATOM 926 CB TYR A 126 -3.008 -6.423 8.098 1.00 0.00 C ATOM 927 CG TYR A 126 -3.451 -5.839 9.420 1.00 0.00 C ATOM 928 CD1 TYR A 126 -3.965 -4.550 9.496 1.00 0.00 C ATOM 929 CD2 TYR A 126 -3.355 -6.577 10.594 1.00 0.00 C ATOM 930 CE1 TYR A 126 -4.370 -4.014 10.703 1.00 0.00 C ATOM 931 CE2 TYR A 126 -3.760 -6.048 11.805 1.00 0.00 C ATOM 932 CZ TYR A 126 -4.266 -4.766 11.854 1.00 0.00 C ATOM 933 OH TYR A 126 -4.669 -4.235 13.058 1.00 0.00 O ATOM 0 HA TYR A 126 -1.279 -6.657 6.842 1.00 0.00 H new ATOM 0 HB2 TYR A 126 -3.637 -6.022 7.304 1.00 0.00 H new ATOM 0 HB3 TYR A 126 -3.166 -7.501 8.115 1.00 0.00 H new ATOM 0 HD1 TYR A 126 -4.049 -3.958 8.597 1.00 0.00 H new ATOM 0 HD2 TYR A 126 -2.957 -7.581 10.559 1.00 0.00 H new ATOM 0 HE1 TYR A 126 -4.766 -3.010 10.745 1.00 0.00 H new ATOM 0 HE2 TYR A 126 -3.681 -6.635 12.708 1.00 0.00 H new ATOM 0 HH TYR A 126 -4.530 -4.895 13.769 1.00 0.00 H new ATOM 943 N VAL A 127 -0.991 -4.266 6.325 1.00 0.00 N ATOM 944 CA VAL A 127 -0.760 -2.866 5.993 1.00 0.00 C ATOM 945 C VAL A 127 -1.853 -2.317 5.080 1.00 0.00 C ATOM 946 O VAL A 127 -2.105 -2.857 4.004 1.00 0.00 O ATOM 947 CB VAL A 127 0.601 -2.692 5.302 1.00 0.00 C ATOM 948 CG1 VAL A 127 0.888 -1.227 5.028 1.00 0.00 C ATOM 949 CG2 VAL A 127 1.707 -3.317 6.138 1.00 0.00 C ATOM 0 H VAL A 127 -0.864 -4.911 5.545 1.00 0.00 H new ATOM 0 HA VAL A 127 -0.773 -2.309 6.930 1.00 0.00 H new ATOM 0 HB VAL A 127 0.565 -3.208 4.343 1.00 0.00 H new ATOM 0 HG11 VAL A 127 1.857 -1.131 4.538 1.00 0.00 H new ATOM 0 HG12 VAL A 127 0.112 -0.819 4.380 1.00 0.00 H new ATOM 0 HG13 VAL A 127 0.901 -0.677 5.969 1.00 0.00 H new ATOM 0 HG21 VAL A 127 2.664 -3.184 5.633 1.00 0.00 H new ATOM 0 HG22 VAL A 127 1.742 -2.834 7.115 1.00 0.00 H new ATOM 0 HG23 VAL A 127 1.509 -4.381 6.266 1.00 0.00 H new ATOM 959 N SER A 128 -2.495 -1.237 5.513 1.00 0.00 N ATOM 960 CA SER A 128 -3.558 -0.614 4.730 1.00 0.00 C ATOM 961 C SER A 128 -2.984 0.313 3.662 1.00 0.00 C ATOM 962 O SER A 128 -2.274 1.273 3.971 1.00 0.00 O ATOM 963 CB SER A 128 -4.502 0.168 5.646 1.00 0.00 C ATOM 964 OG SER A 128 -4.659 -0.484 6.894 1.00 0.00 O ATOM 0 H SER A 128 -2.299 -0.775 6.401 1.00 0.00 H new ATOM 0 HA SER A 128 -4.116 -1.406 4.231 1.00 0.00 H new ATOM 0 HB2 SER A 128 -4.110 1.173 5.804 1.00 0.00 H new ATOM 0 HB3 SER A 128 -5.474 0.277 5.164 1.00 0.00 H new ATOM 0 HG SER A 128 -5.265 0.037 7.461 1.00 0.00 H new ATOM 970 N VAL A 129 -3.297 0.025 2.402 1.00 0.00 N ATOM 971 CA VAL A 129 -2.812 0.837 1.293 1.00 0.00 C ATOM 972 C VAL A 129 -3.275 2.286 1.435 1.00 0.00 C ATOM 973 O VAL A 129 -2.623 3.208 0.945 1.00 0.00 O ATOM 974 CB VAL A 129 -3.273 0.275 -0.073 1.00 0.00 C ATOM 975 CG1 VAL A 129 -4.688 0.728 -0.410 1.00 0.00 C ATOM 976 CG2 VAL A 129 -2.298 0.686 -1.167 1.00 0.00 C ATOM 0 H VAL A 129 -3.883 -0.763 2.125 1.00 0.00 H new ATOM 0 HA VAL A 129 -1.723 0.804 1.327 1.00 0.00 H new ATOM 0 HB VAL A 129 -3.284 -0.813 -0.006 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -4.982 0.316 -1.376 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -5.376 0.376 0.359 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -4.721 1.817 -0.455 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -2.634 0.284 -2.123 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -2.254 1.774 -1.226 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -1.307 0.295 -0.937 1.00 0.00 H new ATOM 986 N LYS A 130 -4.406 2.478 2.113 1.00 0.00 N ATOM 987 CA LYS A 130 -4.958 3.812 2.323 1.00 0.00 C ATOM 988 C LYS A 130 -3.903 4.752 2.897 1.00 0.00 C ATOM 989 O LYS A 130 -3.747 5.883 2.437 1.00 0.00 O ATOM 990 CB LYS A 130 -6.163 3.745 3.263 1.00 0.00 C ATOM 991 CG LYS A 130 -6.814 5.095 3.517 1.00 0.00 C ATOM 992 CD LYS A 130 -7.812 5.026 4.661 1.00 0.00 C ATOM 993 CE LYS A 130 -8.463 6.376 4.916 1.00 0.00 C ATOM 994 NZ LYS A 130 -7.839 7.086 6.066 1.00 0.00 N1+ ATOM 0 H LYS A 130 -4.957 1.725 2.526 1.00 0.00 H new ATOM 0 HA LYS A 130 -5.280 4.202 1.357 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -6.905 3.067 2.841 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -5.847 3.319 4.215 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -6.046 5.833 3.747 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -7.319 5.432 2.612 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -8.581 4.288 4.430 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -7.307 4.688 5.566 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -8.381 6.993 4.021 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -9.526 6.235 5.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -8.312 8.002 6.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -7.939 6.509 6.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -6.830 7.244 5.870 1.00 0.00 H new ATOM 1008 N LEU A 131 -3.176 4.273 3.902 1.00 0.00 N ATOM 1009 CA LEU A 131 -2.132 5.068 4.530 1.00 0.00 C ATOM 1010 C LEU A 131 -0.927 5.202 3.601 1.00 0.00 C ATOM 1011 O LEU A 131 -0.216 6.207 3.630 1.00 0.00 O ATOM 1012 CB LEU A 131 -1.730 4.452 5.875 1.00 0.00 C ATOM 1013 CG LEU A 131 -0.475 3.593 5.840 1.00 0.00 C ATOM 1014 CD1 LEU A 131 0.748 4.431 6.166 1.00 0.00 C ATOM 1015 CD2 LEU A 131 -0.598 2.416 6.796 1.00 0.00 C ATOM 0 H LEU A 131 -3.292 3.340 4.297 1.00 0.00 H new ATOM 0 HA LEU A 131 -2.520 6.069 4.719 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -1.582 5.256 6.596 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -2.558 3.845 6.241 1.00 0.00 H new ATOM 0 HG LEU A 131 -0.358 3.194 4.832 1.00 0.00 H new ATOM 0 HD11 LEU A 131 1.638 3.802 6.137 1.00 0.00 H new ATOM 0 HD12 LEU A 131 0.846 5.232 5.434 1.00 0.00 H new ATOM 0 HD13 LEU A 131 0.640 4.861 7.162 1.00 0.00 H new ATOM 0 HD21 LEU A 131 0.311 1.816 6.754 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -0.742 2.785 7.811 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -1.452 1.802 6.509 1.00 0.00 H new ATOM 1027 N LEU A 132 -0.709 4.185 2.772 1.00 0.00 N ATOM 1028 CA LEU A 132 0.403 4.194 1.828 1.00 0.00 C ATOM 1029 C LEU A 132 0.223 5.295 0.791 1.00 0.00 C ATOM 1030 O LEU A 132 1.196 5.843 0.274 1.00 0.00 O ATOM 1031 CB LEU A 132 0.517 2.839 1.128 1.00 0.00 C ATOM 1032 CG LEU A 132 1.356 1.796 1.866 1.00 0.00 C ATOM 1033 CD1 LEU A 132 0.944 1.719 3.327 1.00 0.00 C ATOM 1034 CD2 LEU A 132 1.219 0.438 1.196 1.00 0.00 C ATOM 0 H LEU A 132 -1.287 3.345 2.735 1.00 0.00 H new ATOM 0 HA LEU A 132 1.319 4.386 2.386 1.00 0.00 H new ATOM 0 HB2 LEU A 132 -0.486 2.438 0.981 1.00 0.00 H new ATOM 0 HB3 LEU A 132 0.947 2.994 0.138 1.00 0.00 H new ATOM 0 HG LEU A 132 2.403 2.097 1.823 1.00 0.00 H new ATOM 0 HD11 LEU A 132 1.551 0.972 3.837 1.00 0.00 H new ATOM 0 HD12 LEU A 132 1.092 2.691 3.798 1.00 0.00 H new ATOM 0 HD13 LEU A 132 -0.107 1.440 3.394 1.00 0.00 H new ATOM 0 HD21 LEU A 132 1.822 -0.295 1.732 1.00 0.00 H new ATOM 0 HD22 LEU A 132 0.174 0.129 1.211 1.00 0.00 H new ATOM 0 HD23 LEU A 132 1.563 0.505 0.164 1.00 0.00 H new ATOM 1046 N THR A 133 -1.032 5.611 0.491 1.00 0.00 N ATOM 1047 CA THR A 133 -1.348 6.644 -0.487 1.00 0.00 C ATOM 1048 C THR A 133 -0.735 7.981 -0.087 1.00 0.00 C ATOM 1049 O THR A 133 -0.343 8.777 -0.940 1.00 0.00 O ATOM 1050 CB THR A 133 -2.861 6.790 -0.628 1.00 0.00 C ATOM 1051 OG1 THR A 133 -3.520 5.599 -0.234 1.00 0.00 O ATOM 1052 CG2 THR A 133 -3.292 7.107 -2.039 1.00 0.00 C ATOM 0 H THR A 133 -1.847 5.166 0.912 1.00 0.00 H new ATOM 0 HA THR A 133 -0.924 6.343 -1.445 1.00 0.00 H new ATOM 0 HB THR A 133 -3.137 7.622 0.019 1.00 0.00 H new ATOM 0 HG1 THR A 133 -3.985 5.748 0.616 1.00 0.00 H new ATOM 0 HG21 THR A 133 -4.377 7.199 -2.076 1.00 0.00 H new ATOM 0 HG22 THR A 133 -2.837 8.046 -2.356 1.00 0.00 H new ATOM 0 HG23 THR A 133 -2.973 6.306 -2.706 1.00 0.00 H new ATOM 1060 N SER A 134 -0.652 8.214 1.215 1.00 0.00 N ATOM 1061 CA SER A 134 -0.082 9.448 1.738 1.00 0.00 C ATOM 1062 C SER A 134 1.284 9.185 2.362 1.00 0.00 C ATOM 1063 O SER A 134 1.722 9.909 3.254 1.00 0.00 O ATOM 1064 CB SER A 134 -1.019 10.071 2.774 1.00 0.00 C ATOM 1065 OG SER A 134 -0.676 11.422 3.026 1.00 0.00 O ATOM 0 H SER A 134 -0.973 7.562 1.931 1.00 0.00 H new ATOM 0 HA SER A 134 0.041 10.145 0.909 1.00 0.00 H new ATOM 0 HB2 SER A 134 -2.048 10.014 2.419 1.00 0.00 H new ATOM 0 HB3 SER A 134 -0.970 9.501 3.702 1.00 0.00 H new ATOM 0 HG SER A 134 0.291 11.493 3.165 1.00 0.00 H new ATOM 1071 N PHE A 135 1.950 8.139 1.884 1.00 0.00 N ATOM 1072 CA PHE A 135 3.267 7.773 2.392 1.00 0.00 C ATOM 1073 C PHE A 135 4.346 8.680 1.799 1.00 0.00 C ATOM 1074 O PHE A 135 4.612 8.647 0.598 1.00 0.00 O ATOM 1075 CB PHE A 135 3.557 6.302 2.082 1.00 0.00 C ATOM 1076 CG PHE A 135 4.905 5.826 2.555 1.00 0.00 C ATOM 1077 CD1 PHE A 135 5.559 6.462 3.599 1.00 0.00 C ATOM 1078 CD2 PHE A 135 5.514 4.736 1.954 1.00 0.00 C ATOM 1079 CE1 PHE A 135 6.794 6.020 4.034 1.00 0.00 C ATOM 1080 CE2 PHE A 135 6.749 4.289 2.385 1.00 0.00 C ATOM 1081 CZ PHE A 135 7.389 4.932 3.425 1.00 0.00 C ATOM 0 H PHE A 135 1.599 7.530 1.145 1.00 0.00 H new ATOM 0 HA PHE A 135 3.276 7.907 3.474 1.00 0.00 H new ATOM 0 HB2 PHE A 135 2.785 5.686 2.542 1.00 0.00 H new ATOM 0 HB3 PHE A 135 3.487 6.149 1.005 1.00 0.00 H new ATOM 0 HD1 PHE A 135 5.098 7.313 4.078 1.00 0.00 H new ATOM 0 HD2 PHE A 135 5.018 4.230 1.139 1.00 0.00 H new ATOM 0 HE1 PHE A 135 7.293 6.524 4.848 1.00 0.00 H new ATOM 0 HE2 PHE A 135 7.212 3.438 1.909 1.00 0.00 H new ATOM 0 HZ PHE A 135 8.354 4.585 3.763 1.00 0.00 H new ATOM 1091 N LYS A 136 4.939 9.505 2.657 1.00 0.00 N ATOM 1092 CA LYS A 136 5.973 10.457 2.249 1.00 0.00 C ATOM 1093 C LYS A 136 7.032 9.834 1.337 1.00 0.00 C ATOM 1094 O LYS A 136 7.601 10.518 0.486 1.00 0.00 O ATOM 1095 CB LYS A 136 6.649 11.052 3.485 1.00 0.00 C ATOM 1096 CG LYS A 136 7.015 12.520 3.330 1.00 0.00 C ATOM 1097 CD LYS A 136 8.379 12.687 2.681 1.00 0.00 C ATOM 1098 CE LYS A 136 8.459 13.977 1.880 1.00 0.00 C ATOM 1099 NZ LYS A 136 9.154 15.057 2.634 1.00 0.00 N1+ ATOM 0 H LYS A 136 4.719 9.534 3.652 1.00 0.00 H new ATOM 0 HA LYS A 136 5.474 11.238 1.676 1.00 0.00 H new ATOM 0 HB2 LYS A 136 5.985 10.940 4.342 1.00 0.00 H new ATOM 0 HB3 LYS A 136 7.552 10.482 3.705 1.00 0.00 H new ATOM 0 HG2 LYS A 136 6.259 13.023 2.726 1.00 0.00 H new ATOM 0 HG3 LYS A 136 7.014 13.002 4.308 1.00 0.00 H new ATOM 0 HD2 LYS A 136 9.152 12.686 3.450 1.00 0.00 H new ATOM 0 HD3 LYS A 136 8.579 11.838 2.027 1.00 0.00 H new ATOM 0 HE2 LYS A 136 8.986 13.791 0.944 1.00 0.00 H new ATOM 0 HE3 LYS A 136 7.453 14.306 1.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 9.188 15.919 2.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 8.638 15.253 3.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 10.123 14.754 2.860 1.00 0.00 H new ATOM 1113 N LYS A 137 7.310 8.550 1.522 1.00 0.00 N ATOM 1114 CA LYS A 137 8.318 7.868 0.717 1.00 0.00 C ATOM 1115 C LYS A 137 7.757 7.425 -0.630 1.00 0.00 C ATOM 1116 O LYS A 137 8.502 7.262 -1.597 1.00 0.00 O ATOM 1117 CB LYS A 137 8.871 6.659 1.472 1.00 0.00 C ATOM 1118 CG LYS A 137 10.348 6.407 1.218 1.00 0.00 C ATOM 1119 CD LYS A 137 10.641 4.925 1.048 1.00 0.00 C ATOM 1120 CE LYS A 137 12.120 4.674 0.803 1.00 0.00 C ATOM 1121 NZ LYS A 137 12.903 4.680 2.069 1.00 0.00 N1+ ATOM 0 H LYS A 137 6.854 7.961 2.219 1.00 0.00 H new ATOM 0 HA LYS A 137 9.124 8.578 0.530 1.00 0.00 H new ATOM 0 HB2 LYS A 137 8.715 6.806 2.541 1.00 0.00 H new ATOM 0 HB3 LYS A 137 8.305 5.772 1.186 1.00 0.00 H new ATOM 0 HG2 LYS A 137 10.661 6.945 0.323 1.00 0.00 H new ATOM 0 HG3 LYS A 137 10.933 6.801 2.049 1.00 0.00 H new ATOM 0 HD2 LYS A 137 10.322 4.385 1.940 1.00 0.00 H new ATOM 0 HD3 LYS A 137 10.061 4.532 0.213 1.00 0.00 H new ATOM 0 HE2 LYS A 137 12.247 3.714 0.303 1.00 0.00 H new ATOM 0 HE3 LYS A 137 12.511 5.438 0.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 13.906 4.505 1.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 12.803 5.605 2.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 12.547 3.934 2.701 1.00 0.00 H new ATOM 1135 N VAL A 138 6.447 7.223 -0.689 1.00 0.00 N ATOM 1136 CA VAL A 138 5.802 6.789 -1.923 1.00 0.00 C ATOM 1137 C VAL A 138 5.466 7.977 -2.820 1.00 0.00 C ATOM 1138 O VAL A 138 5.521 7.878 -4.045 1.00 0.00 O ATOM 1139 CB VAL A 138 4.522 5.968 -1.622 1.00 0.00 C ATOM 1140 CG1 VAL A 138 3.517 6.041 -2.767 1.00 0.00 C ATOM 1141 CG2 VAL A 138 4.881 4.519 -1.319 1.00 0.00 C ATOM 0 H VAL A 138 5.812 7.352 0.099 1.00 0.00 H new ATOM 0 HA VAL A 138 6.508 6.150 -2.452 1.00 0.00 H new ATOM 0 HB VAL A 138 4.048 6.408 -0.744 1.00 0.00 H new ATOM 0 HG11 VAL A 138 2.635 5.452 -2.515 1.00 0.00 H new ATOM 0 HG12 VAL A 138 3.226 7.079 -2.930 1.00 0.00 H new ATOM 0 HG13 VAL A 138 3.971 5.644 -3.675 1.00 0.00 H new ATOM 0 HG21 VAL A 138 3.972 3.955 -1.110 1.00 0.00 H new ATOM 0 HG22 VAL A 138 5.389 4.082 -2.179 1.00 0.00 H new ATOM 0 HG23 VAL A 138 5.539 4.481 -0.451 1.00 0.00 H new ATOM 1151 N LYS A 139 5.104 9.092 -2.203 1.00 0.00 N ATOM 1152 CA LYS A 139 4.741 10.292 -2.947 1.00 0.00 C ATOM 1153 C LYS A 139 5.830 10.710 -3.929 1.00 0.00 C ATOM 1154 O LYS A 139 5.554 11.381 -4.924 1.00 0.00 O ATOM 1155 CB LYS A 139 4.453 11.445 -1.994 1.00 0.00 C ATOM 1156 CG LYS A 139 5.453 11.556 -0.856 1.00 0.00 C ATOM 1157 CD LYS A 139 5.291 12.862 -0.098 1.00 0.00 C ATOM 1158 CE LYS A 139 5.512 14.065 -1.003 1.00 0.00 C ATOM 1159 NZ LYS A 139 5.849 15.290 -0.226 1.00 0.00 N1+ ATOM 0 H LYS A 139 5.053 9.192 -1.189 1.00 0.00 H new ATOM 0 HA LYS A 139 3.844 10.051 -3.517 1.00 0.00 H new ATOM 0 HB2 LYS A 139 4.450 12.379 -2.557 1.00 0.00 H new ATOM 0 HB3 LYS A 139 3.453 11.321 -1.578 1.00 0.00 H new ATOM 0 HG2 LYS A 139 5.321 10.718 -0.171 1.00 0.00 H new ATOM 0 HG3 LYS A 139 6.466 11.487 -1.252 1.00 0.00 H new ATOM 0 HD2 LYS A 139 4.292 12.910 0.335 1.00 0.00 H new ATOM 0 HD3 LYS A 139 5.999 12.893 0.730 1.00 0.00 H new ATOM 0 HE2 LYS A 139 6.317 13.848 -1.705 1.00 0.00 H new ATOM 0 HE3 LYS A 139 4.614 14.245 -1.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 5.434 16.122 -0.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 5.467 15.206 0.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 6.882 15.399 -0.180 1.00 0.00 H new ATOM 1173 N HIS A 140 7.067 10.319 -3.646 1.00 0.00 N ATOM 1174 CA HIS A 140 8.189 10.664 -4.512 1.00 0.00 C ATOM 1175 C HIS A 140 8.053 10.021 -5.893 1.00 0.00 C ATOM 1176 O HIS A 140 8.861 10.279 -6.785 1.00 0.00 O ATOM 1177 CB HIS A 140 9.505 10.230 -3.865 1.00 0.00 C ATOM 1178 CG HIS A 140 10.657 11.129 -4.189 1.00 0.00 C ATOM 1179 ND1 HIS A 140 10.533 12.497 -4.318 1.00 0.00 N ATOM 1180 CD2 HIS A 140 11.965 10.850 -4.409 1.00 0.00 C ATOM 1181 CE1 HIS A 140 11.712 13.019 -4.604 1.00 0.00 C ATOM 1182 NE2 HIS A 140 12.597 12.042 -4.665 1.00 0.00 N ATOM 0 H HIS A 140 7.318 9.765 -2.827 1.00 0.00 H new ATOM 0 HA HIS A 140 8.186 11.746 -4.643 1.00 0.00 H new ATOM 0 HB2 HIS A 140 9.375 10.196 -2.783 1.00 0.00 H new ATOM 0 HB3 HIS A 140 9.743 9.217 -4.189 1.00 0.00 H new ATOM 0 HD2 HIS A 140 12.424 9.873 -4.387 1.00 0.00 H new ATOM 0 HE1 HIS A 140 11.917 14.068 -4.761 1.00 0.00 H new ATOM 0 HE2 HIS A 140 13.590 12.154 -4.869 1.00 0.00 H new ATOM 1191 N LEU A 141 7.041 9.170 -6.064 1.00 0.00 N ATOM 1192 CA LEU A 141 6.831 8.488 -7.338 1.00 0.00 C ATOM 1193 C LEU A 141 5.893 9.268 -8.262 1.00 0.00 C ATOM 1194 O LEU A 141 6.339 9.876 -9.235 1.00 0.00 O ATOM 1195 CB LEU A 141 6.280 7.084 -7.092 1.00 0.00 C ATOM 1196 CG LEU A 141 6.911 6.344 -5.913 1.00 0.00 C ATOM 1197 CD1 LEU A 141 5.883 5.463 -5.225 1.00 0.00 C ATOM 1198 CD2 LEU A 141 8.102 5.523 -6.379 1.00 0.00 C ATOM 0 H LEU A 141 6.359 8.939 -5.341 1.00 0.00 H new ATOM 0 HA LEU A 141 7.797 8.420 -7.838 1.00 0.00 H new ATOM 0 HB2 LEU A 141 5.205 7.155 -6.925 1.00 0.00 H new ATOM 0 HB3 LEU A 141 6.423 6.490 -7.994 1.00 0.00 H new ATOM 0 HG LEU A 141 7.265 7.079 -5.190 1.00 0.00 H new ATOM 0 HD11 LEU A 141 6.350 4.944 -4.388 1.00 0.00 H new ATOM 0 HD12 LEU A 141 5.063 6.080 -4.857 1.00 0.00 H new ATOM 0 HD13 LEU A 141 5.497 4.732 -5.935 1.00 0.00 H new ATOM 0 HD21 LEU A 141 8.540 5.002 -5.528 1.00 0.00 H new ATOM 0 HD22 LEU A 141 7.774 4.795 -7.121 1.00 0.00 H new ATOM 0 HD23 LEU A 141 8.847 6.183 -6.823 1.00 0.00 H new ATOM 1210 N THR A 142 4.594 9.239 -7.966 1.00 0.00 N ATOM 1211 CA THR A 142 3.610 9.935 -8.788 1.00 0.00 C ATOM 1212 C THR A 142 2.681 10.790 -7.931 1.00 0.00 C ATOM 1213 O THR A 142 2.601 10.609 -6.715 1.00 0.00 O ATOM 1214 CB THR A 142 2.782 8.930 -9.598 1.00 0.00 C ATOM 1215 OG1 THR A 142 1.981 9.596 -10.556 1.00 0.00 O ATOM 1216 CG2 THR A 142 1.865 8.079 -8.743 1.00 0.00 C ATOM 0 H THR A 142 4.202 8.743 -7.166 1.00 0.00 H new ATOM 0 HA THR A 142 4.152 10.589 -9.471 1.00 0.00 H new ATOM 0 HB THR A 142 3.511 8.278 -10.078 1.00 0.00 H new ATOM 0 HG1 THR A 142 1.462 8.937 -11.063 1.00 0.00 H new ATOM 0 HG21 THR A 142 1.309 7.391 -9.380 1.00 0.00 H new ATOM 0 HG22 THR A 142 2.459 7.512 -8.026 1.00 0.00 H new ATOM 0 HG23 THR A 142 1.167 8.722 -8.207 1.00 0.00 H new ATOM 1224 N ARG A 143 1.973 11.711 -8.575 1.00 0.00 N ATOM 1225 CA ARG A 143 1.039 12.582 -7.876 1.00 0.00 C ATOM 1226 C ARG A 143 -0.259 11.836 -7.581 1.00 0.00 C ATOM 1227 O ARG A 143 -0.798 11.915 -6.478 1.00 0.00 O ATOM 1228 CB ARG A 143 0.749 13.833 -8.709 1.00 0.00 C ATOM 1229 CG ARG A 143 0.840 15.126 -7.916 1.00 0.00 C ATOM 1230 CD ARG A 143 0.908 16.337 -8.832 1.00 0.00 C ATOM 1231 NE ARG A 143 -0.160 16.330 -9.829 1.00 0.00 N ATOM 1232 CZ ARG A 143 -0.134 17.047 -10.950 1.00 0.00 C ATOM 1233 NH1 ARG A 143 0.903 17.831 -11.220 1.00 0.00 N1+ ATOM 1234 NH2 ARG A 143 -1.147 16.981 -11.803 1.00 0.00 N ATOM 0 H ARG A 143 2.029 11.873 -9.581 1.00 0.00 H new ATOM 0 HA ARG A 143 1.491 12.888 -6.933 1.00 0.00 H new ATOM 0 HB2 ARG A 143 1.452 13.876 -9.541 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -0.249 13.750 -9.139 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -0.026 15.213 -7.259 1.00 0.00 H new ATOM 0 HG3 ARG A 143 1.723 15.101 -7.278 1.00 0.00 H new ATOM 0 HD2 ARG A 143 0.841 17.247 -8.236 1.00 0.00 H new ATOM 0 HD3 ARG A 143 1.874 16.357 -9.336 1.00 0.00 H new ATOM 0 HE ARG A 143 -0.974 15.740 -9.656 1.00 0.00 H new ATOM 0 HH11 ARG A 143 1.685 17.886 -10.567 1.00 0.00 H new ATOM 0 HH12 ARG A 143 0.918 18.378 -12.081 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -1.946 16.381 -11.600 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -1.127 17.531 -12.662 1.00 0.00 H new ATOM 1248 N ASP A 144 -0.745 11.102 -8.578 1.00 0.00 N ATOM 1249 CA ASP A 144 -1.972 10.327 -8.431 1.00 0.00 C ATOM 1250 C ASP A 144 -1.748 9.144 -7.500 1.00 0.00 C ATOM 1251 O ASP A 144 -1.621 8.004 -7.946 1.00 0.00 O ATOM 1252 CB ASP A 144 -2.457 9.836 -9.796 1.00 0.00 C ATOM 1253 CG ASP A 144 -2.532 10.953 -10.820 1.00 0.00 C ATOM 1254 OD1 ASP A 144 -2.647 12.127 -10.409 1.00 0.00 O ATOM 1255 OD2 ASP A 144 -2.476 10.653 -12.031 1.00 0.00 O1- ATOM 0 H ASP A 144 -0.307 11.028 -9.496 1.00 0.00 H new ATOM 0 HA ASP A 144 -2.736 10.972 -7.997 1.00 0.00 H new ATOM 0 HB2 ASP A 144 -1.785 9.059 -10.159 1.00 0.00 H new ATOM 0 HB3 ASP A 144 -3.441 9.381 -9.686 1.00 0.00 H new ATOM 1260 N TRP A 145 -1.701 9.424 -6.203 1.00 0.00 N ATOM 1261 CA TRP A 145 -1.493 8.384 -5.210 1.00 0.00 C ATOM 1262 C TRP A 145 -2.606 7.346 -5.279 1.00 0.00 C ATOM 1263 O TRP A 145 -2.430 6.202 -4.860 1.00 0.00 O ATOM 1264 CB TRP A 145 -1.378 9.005 -3.820 1.00 0.00 C ATOM 1265 CG TRP A 145 -0.197 9.918 -3.719 1.00 0.00 C ATOM 1266 CD1 TRP A 145 0.968 9.812 -4.423 1.00 0.00 C ATOM 1267 CD2 TRP A 145 -0.061 11.072 -2.884 1.00 0.00 C ATOM 1268 NE1 TRP A 145 1.820 10.828 -4.081 1.00 0.00 N ATOM 1269 CE2 TRP A 145 1.215 11.616 -3.136 1.00 0.00 C ATOM 1270 CE3 TRP A 145 -0.889 11.700 -1.950 1.00 0.00 C ATOM 1271 CZ2 TRP A 145 1.679 12.758 -2.485 1.00 0.00 C ATOM 1272 CZ3 TRP A 145 -0.426 12.832 -1.305 1.00 0.00 C ATOM 1273 CH2 TRP A 145 0.846 13.351 -1.576 1.00 0.00 C ATOM 0 H TRP A 145 -1.804 10.363 -5.817 1.00 0.00 H new ATOM 0 HA TRP A 145 -0.557 7.867 -5.423 1.00 0.00 H new ATOM 0 HB2 TRP A 145 -2.288 9.560 -3.593 1.00 0.00 H new ATOM 0 HB3 TRP A 145 -1.292 8.215 -3.074 1.00 0.00 H new ATOM 0 HD1 TRP A 145 1.186 9.039 -5.145 1.00 0.00 H new ATOM 0 HE1 TRP A 145 2.753 10.975 -4.467 1.00 0.00 H new ATOM 0 HE3 TRP A 145 -1.872 11.308 -1.736 1.00 0.00 H new ATOM 0 HZ2 TRP A 145 2.660 13.160 -2.691 1.00 0.00 H new ATOM 0 HZ3 TRP A 145 -1.056 13.325 -0.579 1.00 0.00 H new ATOM 0 HH2 TRP A 145 1.177 14.238 -1.056 1.00 0.00 H new ATOM 1284 N ARG A 146 -3.739 7.733 -5.853 1.00 0.00 N ATOM 1285 CA ARG A 146 -4.843 6.807 -6.022 1.00 0.00 C ATOM 1286 C ARG A 146 -4.460 5.804 -7.099 1.00 0.00 C ATOM 1287 O ARG A 146 -4.558 4.587 -6.907 1.00 0.00 O ATOM 1288 CB ARG A 146 -6.129 7.546 -6.410 1.00 0.00 C ATOM 1289 CG ARG A 146 -5.983 8.433 -7.637 1.00 0.00 C ATOM 1290 CD ARG A 146 -6.928 9.624 -7.578 1.00 0.00 C ATOM 1291 NE ARG A 146 -6.235 10.854 -7.204 1.00 0.00 N ATOM 1292 CZ ARG A 146 -5.475 11.561 -8.037 1.00 0.00 C ATOM 1293 NH1 ARG A 146 -5.311 11.165 -9.294 1.00 0.00 N1+ ATOM 1294 NH2 ARG A 146 -4.878 12.667 -7.614 1.00 0.00 N ATOM 0 H ARG A 146 -3.913 8.674 -6.205 1.00 0.00 H new ATOM 0 HA ARG A 146 -5.037 6.293 -5.080 1.00 0.00 H new ATOM 0 HB2 ARG A 146 -6.916 6.814 -6.594 1.00 0.00 H new ATOM 0 HB3 ARG A 146 -6.453 8.158 -5.568 1.00 0.00 H new ATOM 0 HG2 ARG A 146 -4.955 8.786 -7.712 1.00 0.00 H new ATOM 0 HG3 ARG A 146 -6.186 7.850 -8.535 1.00 0.00 H new ATOM 0 HD2 ARG A 146 -7.404 9.757 -8.549 1.00 0.00 H new ATOM 0 HD3 ARG A 146 -7.722 9.422 -6.859 1.00 0.00 H new ATOM 0 HE ARG A 146 -6.340 11.191 -6.247 1.00 0.00 H new ATOM 0 HH11 ARG A 146 -5.769 10.316 -9.625 1.00 0.00 H new ATOM 0 HH12 ARG A 146 -4.728 11.710 -9.929 1.00 0.00 H new ATOM 0 HH21 ARG A 146 -5.001 12.976 -6.650 1.00 0.00 H new ATOM 0 HH22 ARG A 146 -4.296 13.208 -8.253 1.00 0.00 H new ATOM 1308 N THR A 147 -3.969 6.331 -8.221 1.00 0.00 N ATOM 1309 CA THR A 147 -3.518 5.502 -9.323 1.00 0.00 C ATOM 1310 C THR A 147 -2.326 4.682 -8.867 1.00 0.00 C ATOM 1311 O THR A 147 -2.044 3.614 -9.411 1.00 0.00 O ATOM 1312 CB THR A 147 -3.195 6.364 -10.545 1.00 0.00 C ATOM 1313 OG1 THR A 147 -4.383 6.694 -11.242 1.00 0.00 O ATOM 1314 CG2 THR A 147 -2.269 5.688 -11.528 1.00 0.00 C ATOM 0 H THR A 147 -3.876 7.334 -8.384 1.00 0.00 H new ATOM 0 HA THR A 147 -4.310 4.816 -9.625 1.00 0.00 H new ATOM 0 HB THR A 147 -2.697 7.251 -10.153 1.00 0.00 H new ATOM 0 HG1 THR A 147 -4.163 7.247 -12.020 1.00 0.00 H new ATOM 0 HG21 THR A 147 -2.082 6.355 -12.370 1.00 0.00 H new ATOM 0 HG22 THR A 147 -1.326 5.452 -11.036 1.00 0.00 H new ATOM 0 HG23 THR A 147 -2.730 4.769 -11.889 1.00 0.00 H new ATOM 1322 N THR A 148 -1.659 5.168 -7.827 1.00 0.00 N ATOM 1323 CA THR A 148 -0.535 4.456 -7.258 1.00 0.00 C ATOM 1324 C THR A 148 -1.038 3.141 -6.653 1.00 0.00 C ATOM 1325 O THR A 148 -0.304 2.153 -6.568 1.00 0.00 O ATOM 1326 CB THR A 148 0.159 5.337 -6.202 1.00 0.00 C ATOM 1327 OG1 THR A 148 1.120 6.188 -6.807 1.00 0.00 O ATOM 1328 CG2 THR A 148 0.867 4.565 -5.106 1.00 0.00 C ATOM 0 H THR A 148 -1.881 6.050 -7.366 1.00 0.00 H new ATOM 0 HA THR A 148 0.200 4.225 -8.029 1.00 0.00 H new ATOM 0 HB THR A 148 -0.654 5.901 -5.746 1.00 0.00 H new ATOM 0 HG1 THR A 148 1.547 6.740 -6.119 1.00 0.00 H new ATOM 0 HG21 THR A 148 1.327 5.264 -4.407 1.00 0.00 H new ATOM 0 HG22 THR A 148 0.146 3.943 -4.575 1.00 0.00 H new ATOM 0 HG23 THR A 148 1.638 3.932 -5.546 1.00 0.00 H new ATOM 1336 N ALA A 149 -2.313 3.137 -6.257 1.00 0.00 N ATOM 1337 CA ALA A 149 -2.934 1.952 -5.684 1.00 0.00 C ATOM 1338 C ALA A 149 -3.140 0.892 -6.760 1.00 0.00 C ATOM 1339 O ALA A 149 -2.814 -0.278 -6.561 1.00 0.00 O ATOM 1340 CB ALA A 149 -4.257 2.309 -5.024 1.00 0.00 C ATOM 0 H ALA A 149 -2.932 3.945 -6.325 1.00 0.00 H new ATOM 0 HA ALA A 149 -2.270 1.546 -4.920 1.00 0.00 H new ATOM 0 HB1 ALA A 149 -4.707 1.411 -4.601 1.00 0.00 H new ATOM 0 HB2 ALA A 149 -4.083 3.036 -4.230 1.00 0.00 H new ATOM 0 HB3 ALA A 149 -4.930 2.737 -5.767 1.00 0.00 H new ATOM 1346 N HIS A 150 -3.665 1.313 -7.915 1.00 0.00 N ATOM 1347 CA HIS A 150 -3.889 0.390 -9.034 1.00 0.00 C ATOM 1348 C HIS A 150 -2.638 -0.432 -9.282 1.00 0.00 C ATOM 1349 O HIS A 150 -2.696 -1.627 -9.570 1.00 0.00 O ATOM 1350 CB HIS A 150 -4.228 1.158 -10.315 1.00 0.00 C ATOM 1351 CG HIS A 150 -5.333 0.538 -11.113 1.00 0.00 C ATOM 1352 ND1 HIS A 150 -5.770 -0.756 -10.916 1.00 0.00 N ATOM 1353 CD2 HIS A 150 -6.090 1.039 -12.118 1.00 0.00 C ATOM 1354 CE1 HIS A 150 -6.746 -1.023 -11.765 1.00 0.00 C ATOM 1355 NE2 HIS A 150 -6.960 0.050 -12.505 1.00 0.00 N ATOM 0 H HIS A 150 -3.941 2.277 -8.100 1.00 0.00 H new ATOM 0 HA HIS A 150 -4.724 -0.260 -8.772 1.00 0.00 H new ATOM 0 HB2 HIS A 150 -4.509 2.178 -10.053 1.00 0.00 H new ATOM 0 HB3 HIS A 150 -3.335 1.223 -10.937 1.00 0.00 H new ATOM 0 HD2 HIS A 150 -6.022 2.032 -12.537 1.00 0.00 H new ATOM 0 HE1 HIS A 150 -7.279 -1.959 -11.841 1.00 0.00 H new ATOM 0 HE2 HIS A 150 -7.658 0.131 -13.244 1.00 0.00 H new ATOM 1364 N ALA A 151 -1.509 0.243 -9.170 1.00 0.00 N ATOM 1365 CA ALA A 151 -0.208 -0.377 -9.379 1.00 0.00 C ATOM 1366 C ALA A 151 -0.016 -1.576 -8.461 1.00 0.00 C ATOM 1367 O ALA A 151 0.266 -2.684 -8.919 1.00 0.00 O ATOM 1368 CB ALA A 151 0.900 0.640 -9.152 1.00 0.00 C ATOM 0 H ALA A 151 -1.465 1.234 -8.932 1.00 0.00 H new ATOM 0 HA ALA A 151 -0.163 -0.730 -10.409 1.00 0.00 H new ATOM 0 HB1 ALA A 151 1.868 0.165 -9.311 1.00 0.00 H new ATOM 0 HB2 ALA A 151 0.783 1.468 -9.851 1.00 0.00 H new ATOM 0 HB3 ALA A 151 0.844 1.017 -8.131 1.00 0.00 H new ATOM 1374 N LEU A 152 -0.166 -1.347 -7.163 1.00 0.00 N ATOM 1375 CA LEU A 152 -0.006 -2.404 -6.175 1.00 0.00 C ATOM 1376 C LEU A 152 -0.934 -3.568 -6.456 1.00 0.00 C ATOM 1377 O LEU A 152 -0.584 -4.724 -6.233 1.00 0.00 O ATOM 1378 CB LEU A 152 -0.255 -1.835 -4.790 1.00 0.00 C ATOM 1379 CG LEU A 152 1.009 -1.431 -4.044 1.00 0.00 C ATOM 1380 CD1 LEU A 152 2.079 -0.936 -5.016 1.00 0.00 C ATOM 1381 CD2 LEU A 152 0.695 -0.367 -3.007 1.00 0.00 C ATOM 0 H LEU A 152 -0.399 -0.435 -6.770 1.00 0.00 H new ATOM 0 HA LEU A 152 1.013 -2.786 -6.230 1.00 0.00 H new ATOM 0 HB2 LEU A 152 -0.905 -0.964 -4.879 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -0.793 -2.575 -4.197 1.00 0.00 H new ATOM 0 HG LEU A 152 1.399 -2.310 -3.531 1.00 0.00 H new ATOM 0 HD11 LEU A 152 2.973 -0.653 -4.460 1.00 0.00 H new ATOM 0 HD12 LEU A 152 2.326 -1.730 -5.720 1.00 0.00 H new ATOM 0 HD13 LEU A 152 1.702 -0.071 -5.562 1.00 0.00 H new ATOM 0 HD21 LEU A 152 1.609 -0.089 -2.482 1.00 0.00 H new ATOM 0 HD22 LEU A 152 0.279 0.511 -3.501 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -0.029 -0.758 -2.292 1.00 0.00 H new ATOM 1393 N LYS A 153 -2.111 -3.263 -6.961 1.00 0.00 N ATOM 1394 CA LYS A 153 -3.078 -4.300 -7.301 1.00 0.00 C ATOM 1395 C LYS A 153 -2.404 -5.380 -8.153 1.00 0.00 C ATOM 1396 O LYS A 153 -2.809 -6.542 -8.140 1.00 0.00 O ATOM 1397 CB LYS A 153 -4.270 -3.701 -8.051 1.00 0.00 C ATOM 1398 CG LYS A 153 -4.942 -2.560 -7.306 1.00 0.00 C ATOM 1399 CD LYS A 153 -6.351 -2.309 -7.821 1.00 0.00 C ATOM 1400 CE LYS A 153 -7.316 -2.019 -6.683 1.00 0.00 C ATOM 1401 NZ LYS A 153 -8.716 -1.862 -7.167 1.00 0.00 N1+ ATOM 0 H LYS A 153 -2.426 -2.311 -7.147 1.00 0.00 H new ATOM 0 HA LYS A 153 -3.446 -4.751 -6.379 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -3.934 -3.342 -9.024 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -5.004 -4.485 -8.237 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -4.979 -2.791 -6.241 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -4.347 -1.653 -7.415 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -6.342 -1.468 -8.515 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -6.696 -3.179 -8.379 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -7.272 -2.829 -5.955 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -7.006 -1.110 -6.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -9.342 -1.665 -6.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -8.763 -1.073 -7.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -9.021 -2.738 -7.637 1.00 0.00 H new ATOM 1415 N TYR A 154 -1.354 -4.980 -8.874 1.00 0.00 N ATOM 1416 CA TYR A 154 -0.593 -5.898 -9.717 1.00 0.00 C ATOM 1417 C TYR A 154 0.731 -6.273 -9.043 1.00 0.00 C ATOM 1418 O TYR A 154 1.677 -6.706 -9.702 1.00 0.00 O ATOM 1419 CB TYR A 154 -0.321 -5.263 -11.082 1.00 0.00 C ATOM 1420 CG TYR A 154 -1.568 -4.755 -11.772 1.00 0.00 C ATOM 1421 CD1 TYR A 154 -2.367 -5.609 -12.521 1.00 0.00 C ATOM 1422 CD2 TYR A 154 -1.944 -3.421 -11.674 1.00 0.00 C ATOM 1423 CE1 TYR A 154 -3.507 -5.149 -13.152 1.00 0.00 C ATOM 1424 CE2 TYR A 154 -3.083 -2.953 -12.302 1.00 0.00 C ATOM 1425 CZ TYR A 154 -3.859 -3.821 -13.041 1.00 0.00 C ATOM 1426 OH TYR A 154 -4.994 -3.359 -13.668 1.00 0.00 O ATOM 0 H TYR A 154 -1.012 -4.019 -8.889 1.00 0.00 H new ATOM 0 HA TYR A 154 -1.183 -6.803 -9.859 1.00 0.00 H new ATOM 0 HB2 TYR A 154 0.377 -4.436 -10.956 1.00 0.00 H new ATOM 0 HB3 TYR A 154 0.166 -5.997 -11.724 1.00 0.00 H new ATOM 0 HD1 TYR A 154 -2.093 -6.650 -12.612 1.00 0.00 H new ATOM 0 HD2 TYR A 154 -1.337 -2.739 -11.098 1.00 0.00 H new ATOM 0 HE1 TYR A 154 -4.119 -5.826 -13.729 1.00 0.00 H new ATOM 0 HE2 TYR A 154 -3.364 -1.914 -12.214 1.00 0.00 H new ATOM 0 HH TYR A 154 -5.100 -2.401 -13.489 1.00 0.00 H new ATOM 1436 N SER A 155 0.777 -6.110 -7.723 1.00 0.00 N ATOM 1437 CA SER A 155 1.954 -6.429 -6.933 1.00 0.00 C ATOM 1438 C SER A 155 1.766 -7.784 -6.285 1.00 0.00 C ATOM 1439 O SER A 155 1.028 -7.922 -5.310 1.00 0.00 O ATOM 1440 CB SER A 155 2.180 -5.368 -5.856 1.00 0.00 C ATOM 1441 OG SER A 155 3.173 -5.783 -4.934 1.00 0.00 O ATOM 0 H SER A 155 -0.005 -5.752 -7.174 1.00 0.00 H new ATOM 0 HA SER A 155 2.826 -6.449 -7.586 1.00 0.00 H new ATOM 0 HB2 SER A 155 2.481 -4.430 -6.322 1.00 0.00 H new ATOM 0 HB3 SER A 155 1.246 -5.176 -5.328 1.00 0.00 H new ATOM 0 HG SER A 155 3.168 -5.186 -4.157 1.00 0.00 H new ATOM 1447 N VAL A 156 2.410 -8.784 -6.849 1.00 0.00 N ATOM 1448 CA VAL A 156 2.287 -10.134 -6.346 1.00 0.00 C ATOM 1449 C VAL A 156 3.499 -10.551 -5.516 1.00 0.00 C ATOM 1450 O VAL A 156 3.593 -11.698 -5.076 1.00 0.00 O ATOM 1451 CB VAL A 156 2.064 -11.102 -7.513 1.00 0.00 C ATOM 1452 CG1 VAL A 156 3.316 -11.215 -8.369 1.00 0.00 C ATOM 1453 CG2 VAL A 156 1.615 -12.464 -7.009 1.00 0.00 C ATOM 0 H VAL A 156 3.025 -8.686 -7.657 1.00 0.00 H new ATOM 0 HA VAL A 156 1.424 -10.168 -5.680 1.00 0.00 H new ATOM 0 HB VAL A 156 1.268 -10.701 -8.140 1.00 0.00 H new ATOM 0 HG11 VAL A 156 3.134 -11.907 -9.191 1.00 0.00 H new ATOM 0 HG12 VAL A 156 3.572 -10.235 -8.771 1.00 0.00 H new ATOM 0 HG13 VAL A 156 4.141 -11.584 -7.760 1.00 0.00 H new ATOM 0 HG21 VAL A 156 1.463 -13.133 -7.856 1.00 0.00 H new ATOM 0 HG22 VAL A 156 2.379 -12.878 -6.351 1.00 0.00 H new ATOM 0 HG23 VAL A 156 0.680 -12.358 -6.458 1.00 0.00 H new ATOM 1463 N VAL A 157 4.411 -9.611 -5.278 1.00 0.00 N ATOM 1464 CA VAL A 157 5.591 -9.888 -4.470 1.00 0.00 C ATOM 1465 C VAL A 157 5.193 -9.978 -3.002 1.00 0.00 C ATOM 1466 O VAL A 157 5.586 -10.903 -2.292 1.00 0.00 O ATOM 1467 CB VAL A 157 6.670 -8.799 -4.644 1.00 0.00 C ATOM 1468 CG1 VAL A 157 7.879 -9.087 -3.762 1.00 0.00 C ATOM 1469 CG2 VAL A 157 7.077 -8.685 -6.105 1.00 0.00 C ATOM 0 H VAL A 157 4.354 -8.656 -5.632 1.00 0.00 H new ATOM 0 HA VAL A 157 6.012 -10.836 -4.805 1.00 0.00 H new ATOM 0 HB VAL A 157 6.249 -7.844 -4.330 1.00 0.00 H new ATOM 0 HG11 VAL A 157 8.626 -8.306 -3.902 1.00 0.00 H new ATOM 0 HG12 VAL A 157 7.570 -9.110 -2.717 1.00 0.00 H new ATOM 0 HG13 VAL A 157 8.307 -10.051 -4.035 1.00 0.00 H new ATOM 0 HG21 VAL A 157 7.839 -7.913 -6.211 1.00 0.00 H new ATOM 0 HG22 VAL A 157 7.478 -9.639 -6.447 1.00 0.00 H new ATOM 0 HG23 VAL A 157 6.207 -8.421 -6.706 1.00 0.00 H new ATOM 1479 N LEU A 158 4.383 -9.017 -2.569 1.00 0.00 N ATOM 1480 CA LEU A 158 3.889 -8.980 -1.200 1.00 0.00 C ATOM 1481 C LEU A 158 2.443 -9.465 -1.196 1.00 0.00 C ATOM 1482 O LEU A 158 1.844 -9.628 -2.259 1.00 0.00 O ATOM 1483 CB LEU A 158 3.953 -7.553 -0.623 1.00 0.00 C ATOM 1484 CG LEU A 158 5.329 -6.858 -0.617 1.00 0.00 C ATOM 1485 CD1 LEU A 158 6.132 -7.230 0.620 1.00 0.00 C ATOM 1486 CD2 LEU A 158 6.121 -7.168 -1.877 1.00 0.00 C ATOM 0 H LEU A 158 4.054 -8.248 -3.153 1.00 0.00 H new ATOM 0 HA LEU A 158 4.514 -9.622 -0.579 1.00 0.00 H new ATOM 0 HB2 LEU A 158 3.261 -6.928 -1.188 1.00 0.00 H new ATOM 0 HB3 LEU A 158 3.587 -7.586 0.403 1.00 0.00 H new ATOM 0 HG LEU A 158 5.142 -5.784 -0.594 1.00 0.00 H new ATOM 0 HD11 LEU A 158 7.097 -6.723 0.593 1.00 0.00 H new ATOM 0 HD12 LEU A 158 5.587 -6.925 1.513 1.00 0.00 H new ATOM 0 HD13 LEU A 158 6.289 -8.308 0.641 1.00 0.00 H new ATOM 0 HD21 LEU A 158 7.085 -6.660 -1.835 1.00 0.00 H new ATOM 0 HD22 LEU A 158 6.281 -8.244 -1.951 1.00 0.00 H new ATOM 0 HD23 LEU A 158 5.566 -6.823 -2.750 1.00 0.00 H new ATOM 1498 N GLU A 159 1.872 -9.682 -0.020 1.00 0.00 N ATOM 1499 CA GLU A 159 0.488 -10.129 0.061 1.00 0.00 C ATOM 1500 C GLU A 159 -0.425 -8.933 0.319 1.00 0.00 C ATOM 1501 O GLU A 159 -0.404 -8.349 1.392 1.00 0.00 O ATOM 1502 CB GLU A 159 0.331 -11.190 1.158 1.00 0.00 C ATOM 1503 CG GLU A 159 -1.088 -11.329 1.689 1.00 0.00 C ATOM 1504 CD GLU A 159 -2.079 -11.724 0.612 1.00 0.00 C ATOM 1505 OE1 GLU A 159 -2.289 -10.922 -0.323 1.00 0.00 O ATOM 1506 OE2 GLU A 159 -2.645 -12.833 0.704 1.00 0.00 O1- ATOM 0 H GLU A 159 2.337 -9.558 0.879 1.00 0.00 H new ATOM 0 HA GLU A 159 0.202 -10.585 -0.887 1.00 0.00 H new ATOM 0 HB2 GLU A 159 0.657 -12.153 0.766 1.00 0.00 H new ATOM 0 HB3 GLU A 159 0.995 -10.942 1.986 1.00 0.00 H new ATOM 0 HG2 GLU A 159 -1.103 -12.076 2.483 1.00 0.00 H new ATOM 0 HG3 GLU A 159 -1.399 -10.384 2.135 1.00 0.00 H new ATOM 1513 N LEU A 160 -1.215 -8.575 -0.683 1.00 0.00 N ATOM 1514 CA LEU A 160 -2.129 -7.442 -0.586 1.00 0.00 C ATOM 1515 C LEU A 160 -3.496 -7.886 -0.077 1.00 0.00 C ATOM 1516 O LEU A 160 -3.912 -9.013 -0.345 1.00 0.00 O ATOM 1517 CB LEU A 160 -2.312 -6.829 -1.980 1.00 0.00 C ATOM 1518 CG LEU A 160 -1.294 -5.776 -2.417 1.00 0.00 C ATOM 1519 CD1 LEU A 160 -1.923 -4.387 -2.436 1.00 0.00 C ATOM 1520 CD2 LEU A 160 -0.057 -5.823 -1.536 1.00 0.00 C ATOM 0 H LEU A 160 -1.242 -9.057 -1.581 1.00 0.00 H new ATOM 0 HA LEU A 160 -1.707 -6.717 0.110 1.00 0.00 H new ATOM 0 HB2 LEU A 160 -2.296 -7.638 -2.710 1.00 0.00 H new ATOM 0 HB3 LEU A 160 -3.304 -6.379 -2.024 1.00 0.00 H new ATOM 0 HG LEU A 160 -0.979 -6.004 -3.435 1.00 0.00 H new ATOM 0 HD11 LEU A 160 -1.179 -3.655 -2.750 1.00 0.00 H new ATOM 0 HD12 LEU A 160 -2.760 -4.376 -3.134 1.00 0.00 H new ATOM 0 HD13 LEU A 160 -2.280 -4.136 -1.437 1.00 0.00 H new ATOM 0 HD21 LEU A 160 0.653 -5.065 -1.866 1.00 0.00 H new ATOM 0 HD22 LEU A 160 -0.340 -5.630 -0.501 1.00 0.00 H new ATOM 0 HD23 LEU A 160 0.404 -6.808 -1.608 1.00 0.00 H new ATOM 1532 N ASN A 161 -4.237 -6.996 0.601 1.00 0.00 N ATOM 1533 CA ASN A 161 -5.580 -7.383 1.032 1.00 0.00 C ATOM 1534 C ASN A 161 -6.366 -7.575 -0.232 1.00 0.00 C ATOM 1535 O ASN A 161 -6.000 -6.952 -1.225 1.00 0.00 O ATOM 1536 CB ASN A 161 -6.263 -6.325 1.906 1.00 0.00 C ATOM 1537 CG ASN A 161 -7.757 -6.556 2.045 1.00 0.00 C ATOM 1538 OD1 ASN A 161 -8.567 -5.781 1.536 1.00 0.00 O ATOM 1539 ND2 ASN A 161 -8.129 -7.626 2.738 1.00 0.00 N ATOM 0 H ASN A 161 -3.945 -6.051 0.851 1.00 0.00 H new ATOM 0 HA ASN A 161 -5.525 -8.281 1.647 1.00 0.00 H new ATOM 0 HB2 ASN A 161 -5.806 -6.326 2.895 1.00 0.00 H new ATOM 0 HB3 ASN A 161 -6.090 -5.338 1.477 1.00 0.00 H new ATOM 0 HD21 ASN A 161 -9.120 -7.832 2.865 1.00 0.00 H new ATOM 0 HD22 ASN A 161 -7.424 -8.242 3.143 1.00 0.00 H new ATOM 1546 N GLU A 162 -7.414 -8.418 -0.147 1.00 0.00 N ATOM 1547 CA GLU A 162 -8.295 -8.826 -1.262 1.00 0.00 C ATOM 1548 C GLU A 162 -8.598 -7.760 -2.304 1.00 0.00 C ATOM 1549 O GLU A 162 -8.404 -8.003 -3.496 1.00 0.00 O ATOM 1550 CB GLU A 162 -9.612 -9.355 -0.694 1.00 0.00 C ATOM 1551 CG GLU A 162 -10.423 -8.307 0.048 1.00 0.00 C ATOM 1552 CD GLU A 162 -11.517 -8.913 0.903 1.00 0.00 C ATOM 1553 OE1 GLU A 162 -12.574 -9.277 0.345 1.00 0.00 O ATOM 1554 OE2 GLU A 162 -11.318 -9.027 2.131 1.00 0.00 O1- ATOM 0 H GLU A 162 -7.682 -8.852 0.736 1.00 0.00 H new ATOM 0 HA GLU A 162 -7.731 -9.591 -1.796 1.00 0.00 H new ATOM 0 HB2 GLU A 162 -10.214 -9.757 -1.509 1.00 0.00 H new ATOM 0 HB3 GLU A 162 -9.399 -10.183 -0.017 1.00 0.00 H new ATOM 0 HG2 GLU A 162 -9.758 -7.718 0.680 1.00 0.00 H new ATOM 0 HG3 GLU A 162 -10.868 -7.621 -0.672 1.00 0.00 H new ATOM 1561 N ASP A 163 -9.040 -6.590 -1.897 1.00 0.00 N ATOM 1562 CA ASP A 163 -9.313 -5.538 -2.866 1.00 0.00 C ATOM 1563 C ASP A 163 -8.010 -4.825 -3.143 1.00 0.00 C ATOM 1564 O ASP A 163 -7.976 -3.641 -3.476 1.00 0.00 O ATOM 1565 CB ASP A 163 -10.361 -4.563 -2.334 1.00 0.00 C ATOM 1566 CG ASP A 163 -11.769 -4.943 -2.750 1.00 0.00 C ATOM 1567 OD1 ASP A 163 -11.942 -5.419 -3.891 1.00 0.00 O ATOM 1568 OD2 ASP A 163 -12.698 -4.764 -1.934 1.00 0.00 O1- ATOM 0 H ASP A 163 -9.217 -6.341 -0.924 1.00 0.00 H new ATOM 0 HA ASP A 163 -9.715 -5.967 -3.784 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -10.303 -4.530 -1.246 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -10.137 -3.560 -2.696 1.00 0.00 H new ATOM 1573 N HIS A 164 -6.928 -5.570 -2.927 1.00 0.00 N ATOM 1574 CA HIS A 164 -5.588 -5.069 -3.058 1.00 0.00 C ATOM 1575 C HIS A 164 -5.486 -3.731 -2.376 1.00 0.00 C ATOM 1576 O HIS A 164 -4.684 -2.870 -2.739 1.00 0.00 O ATOM 1577 CB HIS A 164 -5.139 -5.051 -4.507 1.00 0.00 C ATOM 1578 CG HIS A 164 -5.066 -6.440 -5.057 1.00 0.00 C ATOM 1579 ND1 HIS A 164 -4.872 -6.731 -6.390 1.00 0.00 N ATOM 1580 CD2 HIS A 164 -5.166 -7.636 -4.419 1.00 0.00 C ATOM 1581 CE1 HIS A 164 -4.856 -8.043 -6.553 1.00 0.00 C ATOM 1582 NE2 HIS A 164 -5.032 -8.614 -5.373 1.00 0.00 N ATOM 0 H HIS A 164 -6.973 -6.551 -2.653 1.00 0.00 H new ATOM 0 HA HIS A 164 -4.893 -5.743 -2.556 1.00 0.00 H new ATOM 0 HB2 HIS A 164 -5.833 -4.456 -5.100 1.00 0.00 H new ATOM 0 HB3 HIS A 164 -4.163 -4.573 -4.584 1.00 0.00 H new ATOM 0 HD2 HIS A 164 -5.322 -7.788 -3.361 1.00 0.00 H new ATOM 0 HE1 HIS A 164 -4.722 -8.561 -7.491 1.00 0.00 H new ATOM 0 HE2 HIS A 164 -5.063 -9.619 -5.200 1.00 0.00 H new ATOM 1591 N ARG A 165 -6.306 -3.601 -1.340 1.00 0.00 N ATOM 1592 CA ARG A 165 -6.337 -2.422 -0.532 1.00 0.00 C ATOM 1593 C ARG A 165 -5.283 -2.531 0.535 1.00 0.00 C ATOM 1594 O ARG A 165 -4.947 -1.530 1.167 1.00 0.00 O ATOM 1595 CB ARG A 165 -7.706 -2.233 0.116 1.00 0.00 C ATOM 1596 CG ARG A 165 -8.820 -1.943 -0.869 1.00 0.00 C ATOM 1597 CD ARG A 165 -10.181 -2.163 -0.233 1.00 0.00 C ATOM 1598 NE ARG A 165 -10.799 -0.910 0.189 1.00 0.00 N ATOM 1599 CZ ARG A 165 -11.420 -0.074 -0.640 1.00 0.00 C ATOM 1600 NH1 ARG A 165 -11.508 -0.354 -1.935 1.00 0.00 N1+ ATOM 1601 NH2 ARG A 165 -11.955 1.047 -0.174 1.00 0.00 N ATOM 0 H ARG A 165 -6.965 -4.323 -1.048 1.00 0.00 H new ATOM 0 HA ARG A 165 -6.142 -1.558 -1.168 1.00 0.00 H new ATOM 0 HB2 ARG A 165 -7.957 -3.132 0.678 1.00 0.00 H new ATOM 0 HB3 ARG A 165 -7.647 -1.414 0.833 1.00 0.00 H new ATOM 0 HG2 ARG A 165 -8.741 -0.914 -1.220 1.00 0.00 H new ATOM 0 HG3 ARG A 165 -8.715 -2.587 -1.742 1.00 0.00 H new ATOM 0 HD2 ARG A 165 -10.835 -2.668 -0.944 1.00 0.00 H new ATOM 0 HD3 ARG A 165 -10.076 -2.823 0.628 1.00 0.00 H new ATOM 0 HE ARG A 165 -10.752 -0.660 1.177 1.00 0.00 H new ATOM 0 HH11 ARG A 165 -11.098 -1.214 -2.300 1.00 0.00 H new ATOM 0 HH12 ARG A 165 -11.985 0.291 -2.565 1.00 0.00 H new ATOM 0 HH21 ARG A 165 -11.890 1.268 0.820 1.00 0.00 H new ATOM 0 HH22 ARG A 165 -12.431 1.688 -0.809 1.00 0.00 H new ATOM 1615 N LYS A 166 -4.739 -3.740 0.758 1.00 0.00 N ATOM 1616 CA LYS A 166 -3.705 -3.831 1.800 1.00 0.00 C ATOM 1617 C LYS A 166 -2.436 -4.482 1.304 1.00 0.00 C ATOM 1618 O LYS A 166 -2.333 -4.876 0.148 1.00 0.00 O ATOM 1619 CB LYS A 166 -4.208 -4.562 3.043 1.00 0.00 C ATOM 1620 CG LYS A 166 -5.504 -3.995 3.605 1.00 0.00 C ATOM 1621 CD LYS A 166 -5.960 -4.760 4.837 1.00 0.00 C ATOM 1622 CE LYS A 166 -7.474 -4.750 4.970 1.00 0.00 C ATOM 1623 NZ LYS A 166 -7.992 -3.399 5.323 1.00 0.00 N1+ ATOM 0 H LYS A 166 -4.974 -4.606 0.273 1.00 0.00 H new ATOM 0 HA LYS A 166 -3.472 -2.801 2.071 1.00 0.00 H new ATOM 0 HB2 LYS A 166 -4.358 -5.614 2.799 1.00 0.00 H new ATOM 0 HB3 LYS A 166 -3.439 -4.520 3.814 1.00 0.00 H new ATOM 0 HG2 LYS A 166 -5.362 -2.945 3.860 1.00 0.00 H new ATOM 0 HG3 LYS A 166 -6.281 -4.036 2.842 1.00 0.00 H new ATOM 0 HD2 LYS A 166 -5.606 -5.789 4.779 1.00 0.00 H new ATOM 0 HD3 LYS A 166 -5.513 -4.318 5.727 1.00 0.00 H new ATOM 0 HE2 LYS A 166 -7.923 -5.077 4.032 1.00 0.00 H new ATOM 0 HE3 LYS A 166 -7.776 -5.466 5.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 -9.028 -3.435 5.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 -7.584 -3.097 6.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 -7.726 -2.721 4.581 1.00 0.00 H new ATOM 1637 N VAL A 167 -1.475 -4.596 2.208 1.00 0.00 N ATOM 1638 CA VAL A 167 -0.203 -5.214 1.905 1.00 0.00 C ATOM 1639 C VAL A 167 0.393 -5.802 3.171 1.00 0.00 C ATOM 1640 O VAL A 167 1.138 -5.156 3.906 1.00 0.00 O ATOM 1641 CB VAL A 167 0.773 -4.238 1.210 1.00 0.00 C ATOM 1642 CG1 VAL A 167 0.847 -2.902 1.938 1.00 0.00 C ATOM 1643 CG2 VAL A 167 2.162 -4.852 1.063 1.00 0.00 C ATOM 0 H VAL A 167 -1.559 -4.262 3.168 1.00 0.00 H new ATOM 0 HA VAL A 167 -0.377 -6.020 1.192 1.00 0.00 H new ATOM 0 HB VAL A 167 0.380 -4.049 0.211 1.00 0.00 H new ATOM 0 HG11 VAL A 167 1.543 -2.243 1.419 1.00 0.00 H new ATOM 0 HG12 VAL A 167 -0.141 -2.443 1.957 1.00 0.00 H new ATOM 0 HG13 VAL A 167 1.192 -3.063 2.959 1.00 0.00 H new ATOM 0 HG21 VAL A 167 2.824 -4.140 0.570 1.00 0.00 H new ATOM 0 HG22 VAL A 167 2.559 -5.095 2.049 1.00 0.00 H new ATOM 0 HG23 VAL A 167 2.097 -5.761 0.465 1.00 0.00 H new ATOM 1653 N ARG A 168 0.019 -7.045 3.408 1.00 0.00 N ATOM 1654 CA ARG A 168 0.466 -7.792 4.577 1.00 0.00 C ATOM 1655 C ARG A 168 1.544 -8.799 4.193 1.00 0.00 C ATOM 1656 O ARG A 168 1.627 -9.219 3.041 1.00 0.00 O ATOM 1657 CB ARG A 168 -0.724 -8.522 5.208 1.00 0.00 C ATOM 1658 CG ARG A 168 -0.419 -9.160 6.553 1.00 0.00 C ATOM 1659 CD ARG A 168 -1.463 -10.201 6.924 1.00 0.00 C ATOM 1660 NE ARG A 168 -1.057 -11.548 6.525 1.00 0.00 N ATOM 1661 CZ ARG A 168 -1.903 -12.567 6.390 1.00 0.00 C ATOM 1662 NH1 ARG A 168 -3.198 -12.400 6.624 1.00 0.00 N1+ ATOM 1663 NH2 ARG A 168 -1.451 -13.757 6.020 1.00 0.00 N ATOM 0 H ARG A 168 -0.605 -7.570 2.796 1.00 0.00 H new ATOM 0 HA ARG A 168 0.888 -7.091 5.297 1.00 0.00 H new ATOM 0 HB2 ARG A 168 -1.546 -7.816 5.331 1.00 0.00 H new ATOM 0 HB3 ARG A 168 -1.068 -9.295 4.521 1.00 0.00 H new ATOM 0 HG2 ARG A 168 0.566 -9.626 6.521 1.00 0.00 H new ATOM 0 HG3 ARG A 168 -0.382 -8.389 7.323 1.00 0.00 H new ATOM 0 HD2 ARG A 168 -1.633 -10.177 8.000 1.00 0.00 H new ATOM 0 HD3 ARG A 168 -2.410 -9.951 6.446 1.00 0.00 H new ATOM 0 HE ARG A 168 -0.068 -11.717 6.339 1.00 0.00 H new ATOM 0 HH11 ARG A 168 -3.551 -11.487 6.909 1.00 0.00 H new ATOM 0 HH12 ARG A 168 -3.841 -13.185 6.519 1.00 0.00 H new ATOM 0 HH21 ARG A 168 -0.456 -13.891 5.839 1.00 0.00 H new ATOM 0 HH22 ARG A 168 -2.098 -14.539 5.916 1.00 0.00 H new ATOM 1677 N ARG A 169 2.367 -9.185 5.162 1.00 0.00 N ATOM 1678 CA ARG A 169 3.433 -10.149 4.916 1.00 0.00 C ATOM 1679 C ARG A 169 3.091 -11.499 5.538 1.00 0.00 C ATOM 1680 O ARG A 169 2.808 -11.589 6.732 1.00 0.00 O ATOM 1681 CB ARG A 169 4.762 -9.634 5.474 1.00 0.00 C ATOM 1682 CG ARG A 169 5.717 -9.139 4.400 1.00 0.00 C ATOM 1683 CD ARG A 169 7.165 -9.429 4.764 1.00 0.00 C ATOM 1684 NE ARG A 169 7.618 -10.709 4.225 1.00 0.00 N ATOM 1685 CZ ARG A 169 8.899 -11.041 4.082 1.00 0.00 C ATOM 1686 NH1 ARG A 169 9.856 -10.192 4.436 1.00 0.00 N1+ ATOM 1687 NH2 ARG A 169 9.224 -12.225 3.581 1.00 0.00 N ATOM 0 H ARG A 169 2.317 -8.846 6.123 1.00 0.00 H new ATOM 0 HA ARG A 169 3.533 -10.278 3.838 1.00 0.00 H new ATOM 0 HB2 ARG A 169 4.563 -8.823 6.175 1.00 0.00 H new ATOM 0 HB3 ARG A 169 5.244 -10.432 6.038 1.00 0.00 H new ATOM 0 HG2 ARG A 169 5.477 -9.617 3.450 1.00 0.00 H new ATOM 0 HG3 ARG A 169 5.584 -8.066 4.260 1.00 0.00 H new ATOM 0 HD2 ARG A 169 7.802 -8.630 4.384 1.00 0.00 H new ATOM 0 HD3 ARG A 169 7.272 -9.434 5.849 1.00 0.00 H new ATOM 0 HE ARG A 169 6.911 -11.388 3.942 1.00 0.00 H new ATOM 0 HH11 ARG A 169 9.612 -9.279 4.820 1.00 0.00 H new ATOM 0 HH12 ARG A 169 10.836 -10.452 4.324 1.00 0.00 H new ATOM 0 HH21 ARG A 169 8.493 -12.880 3.306 1.00 0.00 H new ATOM 0 HH22 ARG A 169 10.205 -12.480 3.471 1.00 0.00 H new ATOM 1701 N THR A 170 3.119 -12.547 4.721 1.00 0.00 N ATOM 1702 CA THR A 170 2.811 -13.891 5.194 1.00 0.00 C ATOM 1703 C THR A 170 3.899 -14.397 6.137 1.00 0.00 C ATOM 1704 O THR A 170 3.638 -15.215 7.020 1.00 0.00 O ATOM 1705 CB THR A 170 2.658 -14.847 4.011 1.00 0.00 C ATOM 1706 OG1 THR A 170 3.921 -15.163 3.453 1.00 0.00 O ATOM 1707 CG2 THR A 170 1.791 -14.293 2.902 1.00 0.00 C ATOM 0 H THR A 170 3.352 -12.491 3.729 1.00 0.00 H new ATOM 0 HA THR A 170 1.870 -13.851 5.743 1.00 0.00 H new ATOM 0 HB THR A 170 2.174 -15.735 4.419 1.00 0.00 H new ATOM 0 HG1 THR A 170 3.801 -15.777 2.699 1.00 0.00 H new ATOM 0 HG21 THR A 170 1.724 -15.022 2.094 1.00 0.00 H new ATOM 0 HG22 THR A 170 0.793 -14.087 3.289 1.00 0.00 H new ATOM 0 HG23 THR A 170 2.230 -13.370 2.523 1.00 0.00 H new ATOM 1715 N THR A 171 5.118 -13.904 5.945 1.00 0.00 N ATOM 1716 CA THR A 171 6.246 -14.305 6.777 1.00 0.00 C ATOM 1717 C THR A 171 7.132 -13.105 7.105 1.00 0.00 C ATOM 1718 O THR A 171 8.230 -12.965 6.566 1.00 0.00 O ATOM 1719 CB THR A 171 7.069 -15.380 6.070 1.00 0.00 C ATOM 1720 OG1 THR A 171 8.161 -15.788 6.874 1.00 0.00 O ATOM 1721 CG2 THR A 171 7.624 -14.918 4.740 1.00 0.00 C ATOM 0 H THR A 171 5.350 -13.225 5.220 1.00 0.00 H new ATOM 0 HA THR A 171 5.853 -14.711 7.709 1.00 0.00 H new ATOM 0 HB THR A 171 6.381 -16.208 5.896 1.00 0.00 H new ATOM 0 HG1 THR A 171 8.674 -16.478 6.403 1.00 0.00 H new ATOM 0 HG21 THR A 171 8.199 -15.725 4.286 1.00 0.00 H new ATOM 0 HG22 THR A 171 6.802 -14.641 4.079 1.00 0.00 H new ATOM 0 HG23 THR A 171 8.271 -14.054 4.896 1.00 0.00 H new ATOM 1729 N PRO A 172 6.665 -12.219 8.001 1.00 0.00 N ATOM 1730 CA PRO A 172 7.419 -11.028 8.402 1.00 0.00 C ATOM 1731 C PRO A 172 8.730 -11.385 9.090 1.00 0.00 C ATOM 1732 O PRO A 172 8.821 -12.392 9.792 1.00 0.00 O ATOM 1733 CB PRO A 172 6.480 -10.311 9.378 1.00 0.00 C ATOM 1734 CG PRO A 172 5.535 -11.364 9.846 1.00 0.00 C ATOM 1735 CD PRO A 172 5.369 -12.311 8.693 1.00 0.00 C ATOM 0 HA PRO A 172 7.700 -10.418 7.543 1.00 0.00 H new ATOM 0 HB2 PRO A 172 7.033 -9.878 10.212 1.00 0.00 H new ATOM 0 HB3 PRO A 172 5.950 -9.494 8.888 1.00 0.00 H new ATOM 0 HG2 PRO A 172 5.928 -11.880 10.722 1.00 0.00 H new ATOM 0 HG3 PRO A 172 4.578 -10.929 10.135 1.00 0.00 H new ATOM 0 HD2 PRO A 172 5.163 -13.327 9.031 1.00 0.00 H new ATOM 0 HD3 PRO A 172 4.543 -12.017 8.045 1.00 0.00 H new