USER MOD reduce.3.24.130724 H: found=0, std=0, add=892, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 887 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 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 127 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 121 LYS NZ :NH3+ 180:sc= -0.312 (180deg=-0.312) USER MOD Set 2.2: A 122 TYR OH : rot 180:sc= -0.011 USER MOD Set 3.1: A 70 LYS NZ :NH3+ -155:sc= 1.72 (180deg=1.33) USER MOD Set 3.2: A 81 GLN : amide:sc= -0.0404 K(o=1.7,f=-0.5!) USER MOD Set 4.1: A 32 CYS SG : rot -162:sc= -0.796 USER MOD Set 4.2: A 35 CYS SG : rot 170:sc= -2.84! USER MOD Set 4.3: A 52 CYS SG : rot -129:sc= 1.24 USER MOD Set 4.4: A 55 CYS SG : rot 85:sc= -0.624 USER MOD Single : A 16 HIS : no HD1:sc= -0.33 K(o=-0.33,f=-0.97) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0346) USER MOD Single : A 29 ASN : amide:sc= -3.31! C(o=-3.3!,f=-13!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -6.5! C(o=-6.5!,f=-12!) USER MOD Single : A 59 HIS : no HD1:sc= -2.13 X(o=-2.1,f=-2.6!) USER MOD Single : A 61 ASN : amide:sc= -8.03! C(o=-8!,f=-9!) USER MOD Single : A 65 HIS : no HD1:sc= -1.64! C(o=-1.6!,f=-3.4!) USER MOD Single : A 67 SER OG : rot 180:sc= -1.31 USER MOD Single : A 71 SER OG : rot -4:sc= 1.56 USER MOD Single : A 73 ASN : amide:sc= -1.87! C(o=-1.9!,f=-5.2!) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.319 X(o=-0.32,f=0.16) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -171:sc= -0.226 (180deg=-0.385) USER MOD Single : A 86 GLN : amide:sc= -16.1! C(o=-16!,f=-24!) USER MOD Single : A 88 MET CE :methyl 144:sc= -0.223 (180deg=-2.09) USER MOD Single : A 90 ASN : amide:sc= -0.591 K(o=-0.59,f=-8.4!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot -82:sc= 0.00311 USER MOD Single : A 100 ASN : amide:sc= -0.627 K(o=-0.63,f=-0.069) USER MOD Single : A 109 GLN : amide:sc= -3.88! C(o=-3.9!,f=-3.4!) USER MOD Single : A 110 THR OG1 : rot 180:sc= -0.374 USER MOD Single : A 112 GLN : amide:sc= 0.465 K(o=0.47,f=-0.24) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ 168:sc= 0.0838 (180deg=-0.0226) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 202 N HIS A 16 -10.872 -1.799 7.843 1.00 0.00 N ATOM 203 CA HIS A 16 -9.498 -1.687 7.366 1.00 0.00 C ATOM 204 C HIS A 16 -8.736 -2.989 7.591 1.00 0.00 C ATOM 205 O HIS A 16 -8.191 -3.570 6.653 1.00 0.00 O ATOM 206 CB HIS A 16 -8.783 -0.535 8.073 1.00 0.00 C ATOM 207 CG HIS A 16 -9.538 0.757 8.028 1.00 0.00 C ATOM 208 ND1 HIS A 16 -9.727 1.558 9.134 1.00 0.00 N ATOM 209 CD2 HIS A 16 -10.151 1.389 6.999 1.00 0.00 C ATOM 210 CE1 HIS A 16 -10.426 2.624 8.789 1.00 0.00 C ATOM 211 NE2 HIS A 16 -10.695 2.546 7.498 1.00 0.00 N ATOM 0 HA HIS A 16 -9.527 -1.485 6.295 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -8.611 -0.809 9.114 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -7.804 -0.390 7.615 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -10.202 1.046 5.976 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -10.727 3.424 9.450 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -11.221 3.234 6.960 1.00 0.00 H new ATOM 219 N GLN A 17 -8.703 -3.442 8.840 1.00 0.00 N ATOM 220 CA GLN A 17 -8.007 -4.675 9.188 1.00 0.00 C ATOM 221 C GLN A 17 -8.099 -5.690 8.053 1.00 0.00 C ATOM 222 O GLN A 17 -7.096 -6.282 7.652 1.00 0.00 O ATOM 223 CB GLN A 17 -8.590 -5.271 10.470 1.00 0.00 C ATOM 224 CG GLN A 17 -8.212 -4.501 11.725 1.00 0.00 C ATOM 225 CD GLN A 17 -6.836 -4.870 12.244 1.00 0.00 C ATOM 226 OE1 GLN A 17 -6.646 -5.937 12.827 1.00 0.00 O ATOM 227 NE2 GLN A 17 -5.868 -3.986 12.034 1.00 0.00 N ATOM 0 H GLN A 17 -9.150 -2.973 9.628 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.957 -4.436 9.353 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -9.676 -5.301 10.386 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -8.249 -6.302 10.569 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -8.242 -3.432 11.514 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.953 -4.693 12.501 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -6.071 -3.114 11.546 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.921 -4.179 12.361 1.00 0.00 H new ATOM 236 N LEU A 18 -9.309 -5.888 7.540 1.00 0.00 N ATOM 237 CA LEU A 18 -9.532 -6.832 6.451 1.00 0.00 C ATOM 238 C LEU A 18 -8.813 -6.382 5.183 1.00 0.00 C ATOM 239 O LEU A 18 -8.109 -7.166 4.547 1.00 0.00 O ATOM 240 CB LEU A 18 -11.030 -6.979 6.177 1.00 0.00 C ATOM 241 CG LEU A 18 -11.476 -8.315 5.581 1.00 0.00 C ATOM 242 CD1 LEU A 18 -11.308 -9.435 6.596 1.00 0.00 C ATOM 243 CD2 LEU A 18 -12.920 -8.233 5.108 1.00 0.00 C ATOM 0 H LEU A 18 -10.150 -5.408 7.861 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.127 -7.798 6.752 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.567 -6.824 7.113 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.335 -6.182 5.499 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.845 -8.535 4.720 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.630 -10.378 6.154 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.260 -9.510 6.885 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.913 -9.221 7.477 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -13.220 -9.193 4.687 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -13.566 -7.989 5.951 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -13.010 -7.459 4.346 1.00 0.00 H new ATOM 255 N ILE A 19 -8.995 -5.116 4.825 1.00 0.00 N ATOM 256 CA ILE A 19 -8.361 -4.561 3.635 1.00 0.00 C ATOM 257 C ILE A 19 -6.891 -4.960 3.559 1.00 0.00 C ATOM 258 O ILE A 19 -6.409 -5.403 2.515 1.00 0.00 O ATOM 259 CB ILE A 19 -8.466 -3.025 3.605 1.00 0.00 C ATOM 260 CG1 ILE A 19 -9.933 -2.594 3.553 1.00 0.00 C ATOM 261 CG2 ILE A 19 -7.701 -2.465 2.416 1.00 0.00 C ATOM 262 CD1 ILE A 19 -10.147 -1.135 3.892 1.00 0.00 C ATOM 0 H ILE A 19 -9.576 -4.455 5.341 1.00 0.00 H new ATOM 0 HA ILE A 19 -8.892 -4.970 2.775 1.00 0.00 H new ATOM 0 HB ILE A 19 -8.022 -2.627 4.517 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -10.325 -2.788 2.555 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -10.508 -3.208 4.246 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -7.785 -1.378 2.409 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.651 -2.748 2.493 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -8.118 -2.867 1.493 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.210 -0.900 3.835 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -9.786 -0.939 4.902 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -9.600 -0.513 3.184 1.00 0.00 H new ATOM 274 N LEU A 20 -6.182 -4.803 4.672 1.00 0.00 N ATOM 275 CA LEU A 20 -4.766 -5.149 4.733 1.00 0.00 C ATOM 276 C LEU A 20 -4.538 -6.589 4.285 1.00 0.00 C ATOM 277 O LEU A 20 -3.646 -6.865 3.483 1.00 0.00 O ATOM 278 CB LEU A 20 -4.234 -4.954 6.154 1.00 0.00 C ATOM 279 CG LEU A 20 -4.210 -3.515 6.670 1.00 0.00 C ATOM 280 CD1 LEU A 20 -4.321 -3.490 8.186 1.00 0.00 C ATOM 281 CD2 LEU A 20 -2.942 -2.807 6.214 1.00 0.00 C ATOM 0 H LEU A 20 -6.565 -4.438 5.544 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.226 -4.488 4.056 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.841 -5.552 6.833 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.220 -5.352 6.199 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.068 -2.985 6.255 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.302 -2.458 8.535 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.257 -3.959 8.490 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.484 -4.035 8.621 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.941 -1.784 6.590 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.071 -3.336 6.600 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.905 -2.793 5.125 1.00 0.00 H new ATOM 293 N SER A 21 -5.350 -7.502 4.807 1.00 0.00 N ATOM 294 CA SER A 21 -5.236 -8.914 4.462 1.00 0.00 C ATOM 295 C SER A 21 -5.430 -9.124 2.963 1.00 0.00 C ATOM 296 O SER A 21 -4.688 -9.874 2.328 1.00 0.00 O ATOM 297 CB SER A 21 -6.264 -9.736 5.241 1.00 0.00 C ATOM 298 OG SER A 21 -5.930 -9.798 6.617 1.00 0.00 O ATOM 0 H SER A 21 -6.095 -7.289 5.471 1.00 0.00 H new ATOM 0 HA SER A 21 -4.234 -9.249 4.732 1.00 0.00 H new ATOM 0 HB2 SER A 21 -7.253 -9.293 5.123 1.00 0.00 H new ATOM 0 HB3 SER A 21 -6.315 -10.744 4.830 1.00 0.00 H new ATOM 0 HG SER A 21 -6.603 -10.327 7.093 1.00 0.00 H new ATOM 304 N LYS A 22 -6.434 -8.457 2.403 1.00 0.00 N ATOM 305 CA LYS A 22 -6.727 -8.568 0.980 1.00 0.00 C ATOM 306 C LYS A 22 -5.463 -8.379 0.147 1.00 0.00 C ATOM 307 O LYS A 22 -5.180 -9.164 -0.759 1.00 0.00 O ATOM 308 CB LYS A 22 -7.778 -7.534 0.572 1.00 0.00 C ATOM 309 CG LYS A 22 -9.204 -8.051 0.654 1.00 0.00 C ATOM 310 CD LYS A 22 -9.777 -7.886 2.052 1.00 0.00 C ATOM 311 CE LYS A 22 -11.292 -7.749 2.021 1.00 0.00 C ATOM 312 NZ LYS A 22 -11.717 -6.399 1.557 1.00 0.00 N ATOM 0 H LYS A 22 -7.059 -7.833 2.914 1.00 0.00 H new ATOM 0 HA LYS A 22 -7.118 -9.568 0.793 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.681 -6.657 1.213 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.577 -7.207 -0.448 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.828 -7.515 -0.062 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.227 -9.104 0.372 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.501 -8.745 2.663 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.341 -7.006 2.524 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -11.712 -8.509 1.362 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.694 -7.934 3.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.740 -6.286 1.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -11.204 -5.670 2.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.504 -6.297 0.544 1.00 0.00 H new ATOM 326 N LEU A 23 -4.705 -7.334 0.460 1.00 0.00 N ATOM 327 CA LEU A 23 -3.469 -7.043 -0.258 1.00 0.00 C ATOM 328 C LEU A 23 -2.526 -8.241 -0.228 1.00 0.00 C ATOM 329 O LEU A 23 -2.097 -8.734 -1.272 1.00 0.00 O ATOM 330 CB LEU A 23 -2.779 -5.821 0.350 1.00 0.00 C ATOM 331 CG LEU A 23 -3.660 -4.590 0.567 1.00 0.00 C ATOM 332 CD1 LEU A 23 -2.846 -3.445 1.148 1.00 0.00 C ATOM 333 CD2 LEU A 23 -4.319 -4.170 -0.739 1.00 0.00 C ATOM 0 H LEU A 23 -4.925 -6.674 1.206 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.723 -6.830 -1.297 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.351 -6.111 1.310 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.948 -5.539 -0.297 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.443 -4.849 1.280 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.491 -2.578 1.295 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.422 -3.749 2.105 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.041 -3.186 0.461 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.942 -3.293 -0.566 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.550 -3.930 -1.474 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.937 -4.986 -1.114 1.00 0.00 H new ATOM 345 N LEU A 24 -2.209 -8.707 0.975 1.00 0.00 N ATOM 346 CA LEU A 24 -1.318 -9.851 1.142 1.00 0.00 C ATOM 347 C LEU A 24 -1.725 -10.997 0.222 1.00 0.00 C ATOM 348 O LEU A 24 -0.884 -11.597 -0.447 1.00 0.00 O ATOM 349 CB LEU A 24 -1.328 -10.322 2.597 1.00 0.00 C ATOM 350 CG LEU A 24 -0.765 -9.339 3.625 1.00 0.00 C ATOM 351 CD1 LEU A 24 -0.993 -9.855 5.037 1.00 0.00 C ATOM 352 CD2 LEU A 24 0.717 -9.097 3.375 1.00 0.00 C ATOM 0 H LEU A 24 -2.555 -8.311 1.849 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.309 -9.536 0.875 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.355 -10.558 2.874 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.759 -11.250 2.662 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.290 -8.390 3.518 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.586 -9.143 5.755 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.062 -9.976 5.212 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.495 -10.817 5.158 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.101 -8.395 4.115 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.258 -10.040 3.454 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.855 -8.682 2.376 1.00 0.00 H new ATOM 364 N ARG A 25 -3.020 -11.293 0.192 1.00 0.00 N ATOM 365 CA ARG A 25 -3.539 -12.367 -0.648 1.00 0.00 C ATOM 366 C ARG A 25 -2.871 -12.355 -2.020 1.00 0.00 C ATOM 367 O ARG A 25 -2.437 -13.393 -2.517 1.00 0.00 O ATOM 368 CB ARG A 25 -5.055 -12.233 -0.805 1.00 0.00 C ATOM 369 CG ARG A 25 -5.797 -12.126 0.517 1.00 0.00 C ATOM 370 CD ARG A 25 -5.109 -12.931 1.609 1.00 0.00 C ATOM 371 NE ARG A 25 -5.250 -14.369 1.400 1.00 0.00 N ATOM 372 CZ ARG A 25 -5.242 -15.259 2.386 1.00 0.00 C ATOM 373 NH1 ARG A 25 -5.102 -14.860 3.643 1.00 0.00 N ATOM 374 NH2 ARG A 25 -5.376 -16.552 2.117 1.00 0.00 N ATOM 0 H ARG A 25 -3.729 -10.805 0.739 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.314 -13.316 -0.162 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -5.273 -11.351 -1.407 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.432 -13.095 -1.355 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.858 -11.080 0.818 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -6.820 -12.481 0.391 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.051 -12.671 1.639 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.531 -12.662 2.578 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.361 -14.709 0.445 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -5.000 -13.867 3.855 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -5.096 -15.546 4.398 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.485 -16.863 1.152 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.370 -17.234 2.875 1.00 0.00 H new ATOM 388 N GLU A 26 -2.795 -11.174 -2.625 1.00 0.00 N ATOM 389 CA GLU A 26 -2.181 -11.029 -3.940 1.00 0.00 C ATOM 390 C GLU A 26 -0.754 -11.568 -3.937 1.00 0.00 C ATOM 391 O GLU A 26 -0.035 -11.442 -2.947 1.00 0.00 O ATOM 392 CB GLU A 26 -2.183 -9.560 -4.368 1.00 0.00 C ATOM 393 CG GLU A 26 -3.572 -8.949 -4.444 1.00 0.00 C ATOM 394 CD GLU A 26 -4.267 -9.241 -5.759 1.00 0.00 C ATOM 395 OE1 GLU A 26 -4.615 -10.416 -5.998 1.00 0.00 O ATOM 396 OE2 GLU A 26 -4.463 -8.295 -6.550 1.00 0.00 O ATOM 0 H GLU A 26 -3.150 -10.305 -2.226 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.767 -11.609 -4.653 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.580 -8.985 -3.665 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.704 -9.474 -5.343 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.179 -9.333 -3.624 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.498 -7.870 -4.308 1.00 0.00 H new ATOM 403 N GLU A 27 -0.352 -12.169 -5.053 1.00 0.00 N ATOM 404 CA GLU A 27 0.988 -12.729 -5.178 1.00 0.00 C ATOM 405 C GLU A 27 2.047 -11.635 -5.064 1.00 0.00 C ATOM 406 O GLU A 27 3.173 -11.889 -4.636 1.00 0.00 O ATOM 407 CB GLU A 27 1.137 -13.460 -6.514 1.00 0.00 C ATOM 408 CG GLU A 27 0.506 -14.842 -6.524 1.00 0.00 C ATOM 409 CD GLU A 27 1.295 -15.850 -5.712 1.00 0.00 C ATOM 410 OE1 GLU A 27 2.534 -15.891 -5.858 1.00 0.00 O ATOM 411 OE2 GLU A 27 0.672 -16.598 -4.929 1.00 0.00 O ATOM 0 H GLU A 27 -0.935 -12.280 -5.883 1.00 0.00 H new ATOM 0 HA GLU A 27 1.134 -13.440 -4.365 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.684 -12.857 -7.301 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.197 -13.552 -6.752 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.508 -14.777 -6.129 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.426 -15.193 -7.553 1.00 0.00 H new ATOM 418 N ASP A 28 1.677 -10.420 -5.451 1.00 0.00 N ATOM 419 CA ASP A 28 2.594 -9.287 -5.392 1.00 0.00 C ATOM 420 C ASP A 28 2.933 -8.937 -3.946 1.00 0.00 C ATOM 421 O ASP A 28 3.902 -8.227 -3.680 1.00 0.00 O ATOM 422 CB ASP A 28 1.984 -8.073 -6.094 1.00 0.00 C ATOM 423 CG ASP A 28 1.783 -8.303 -7.579 1.00 0.00 C ATOM 424 OD1 ASP A 28 2.689 -8.879 -8.218 1.00 0.00 O ATOM 425 OD2 ASP A 28 0.720 -7.909 -8.102 1.00 0.00 O ATOM 0 H ASP A 28 0.749 -10.194 -5.809 1.00 0.00 H new ATOM 0 HA ASP A 28 3.514 -9.569 -5.904 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.025 -7.834 -5.633 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.632 -7.209 -5.948 1.00 0.00 H new ATOM 430 N ASN A 29 2.126 -9.439 -3.016 1.00 0.00 N ATOM 431 CA ASN A 29 2.340 -9.177 -1.598 1.00 0.00 C ATOM 432 C ASN A 29 2.428 -10.482 -0.812 1.00 0.00 C ATOM 433 O ASN A 29 2.329 -10.488 0.416 1.00 0.00 O ATOM 434 CB ASN A 29 1.209 -8.310 -1.042 1.00 0.00 C ATOM 435 CG ASN A 29 0.903 -7.120 -1.931 1.00 0.00 C ATOM 436 OD1 ASN A 29 1.273 -7.096 -3.105 1.00 0.00 O ATOM 437 ND2 ASN A 29 0.224 -6.124 -1.373 1.00 0.00 N ATOM 0 H ASN A 29 1.319 -10.029 -3.219 1.00 0.00 H new ATOM 0 HA ASN A 29 3.284 -8.643 -1.491 1.00 0.00 H new ATOM 0 HB2 ASN A 29 0.311 -8.917 -0.930 1.00 0.00 H new ATOM 0 HB3 ASN A 29 1.481 -7.957 -0.047 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.011 -5.297 -1.921 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.063 -6.187 -0.396 1.00 0.00 H new ATOM 444 N LYS A 30 2.616 -11.586 -1.527 1.00 0.00 N ATOM 445 CA LYS A 30 2.721 -12.897 -0.898 1.00 0.00 C ATOM 446 C LYS A 30 4.052 -13.046 -0.169 1.00 0.00 C ATOM 447 O LYS A 30 4.176 -13.846 0.760 1.00 0.00 O ATOM 448 CB LYS A 30 2.575 -14.002 -1.947 1.00 0.00 C ATOM 449 CG LYS A 30 1.145 -14.477 -2.136 1.00 0.00 C ATOM 450 CD LYS A 30 0.742 -15.472 -1.060 1.00 0.00 C ATOM 451 CE LYS A 30 0.076 -14.778 0.119 1.00 0.00 C ATOM 452 NZ LYS A 30 -0.763 -15.717 0.913 1.00 0.00 N ATOM 0 H LYS A 30 2.699 -11.599 -2.544 1.00 0.00 H new ATOM 0 HA LYS A 30 1.916 -12.988 -0.169 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.957 -13.638 -2.901 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.195 -14.850 -1.658 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.470 -13.621 -2.113 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.041 -14.939 -3.118 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.060 -16.210 -1.482 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.623 -16.013 -0.715 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.840 -14.341 0.762 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.542 -13.957 -0.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.199 -15.206 1.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -1.508 -16.115 0.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.169 -16.487 1.282 1.00 0.00 H new ATOM 466 N TYR A 31 5.044 -12.272 -0.593 1.00 0.00 N ATOM 467 CA TYR A 31 6.366 -12.319 0.020 1.00 0.00 C ATOM 468 C TYR A 31 6.919 -10.912 0.231 1.00 0.00 C ATOM 469 O TYR A 31 6.458 -9.952 -0.386 1.00 0.00 O ATOM 470 CB TYR A 31 7.326 -13.131 -0.851 1.00 0.00 C ATOM 471 CG TYR A 31 6.665 -14.289 -1.564 1.00 0.00 C ATOM 472 CD1 TYR A 31 6.219 -15.400 -0.859 1.00 0.00 C ATOM 473 CD2 TYR A 31 6.486 -14.273 -2.941 1.00 0.00 C ATOM 474 CE1 TYR A 31 5.614 -16.461 -1.505 1.00 0.00 C ATOM 475 CE2 TYR A 31 5.882 -15.328 -3.596 1.00 0.00 C ATOM 476 CZ TYR A 31 5.448 -16.420 -2.874 1.00 0.00 C ATOM 477 OH TYR A 31 4.846 -17.474 -3.523 1.00 0.00 O ATOM 0 H TYR A 31 4.958 -11.604 -1.359 1.00 0.00 H new ATOM 0 HA TYR A 31 6.271 -12.802 0.992 1.00 0.00 H new ATOM 0 HB2 TYR A 31 7.779 -12.471 -1.591 1.00 0.00 H new ATOM 0 HB3 TYR A 31 8.134 -13.513 -0.227 1.00 0.00 H new ATOM 0 HD1 TYR A 31 6.347 -15.435 0.213 1.00 0.00 H new ATOM 0 HD2 TYR A 31 6.825 -13.420 -3.510 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.273 -17.317 -0.942 1.00 0.00 H new ATOM 0 HE2 TYR A 31 5.750 -15.298 -4.668 1.00 0.00 H new ATOM 0 HH TYR A 31 4.806 -17.286 -4.484 1.00 0.00 H new ATOM 487 N CYS A 32 7.912 -10.800 1.106 1.00 0.00 N ATOM 488 CA CYS A 32 8.531 -9.513 1.400 1.00 0.00 C ATOM 489 C CYS A 32 8.833 -8.748 0.115 1.00 0.00 C ATOM 490 O CYS A 32 8.864 -9.326 -0.971 1.00 0.00 O ATOM 491 CB CYS A 32 9.818 -9.713 2.202 1.00 0.00 C ATOM 492 SG CYS A 32 10.444 -8.197 2.994 1.00 0.00 S ATOM 0 H CYS A 32 8.306 -11.585 1.624 1.00 0.00 H new ATOM 0 HA CYS A 32 7.829 -8.928 1.994 1.00 0.00 H new ATOM 0 HB2 CYS A 32 9.641 -10.465 2.971 1.00 0.00 H new ATOM 0 HB3 CYS A 32 10.588 -10.109 1.540 1.00 0.00 H new ATOM 0 HG CYS A 32 11.690 -8.364 3.326 1.00 0.00 H new ATOM 497 N ALA A 33 9.056 -7.444 0.247 1.00 0.00 N ATOM 498 CA ALA A 33 9.358 -6.601 -0.903 1.00 0.00 C ATOM 499 C ALA A 33 10.862 -6.408 -1.062 1.00 0.00 C ATOM 500 O ALA A 33 11.313 -5.639 -1.912 1.00 0.00 O ATOM 501 CB ALA A 33 8.663 -5.254 -0.767 1.00 0.00 C ATOM 0 H ALA A 33 9.033 -6.949 1.139 1.00 0.00 H new ATOM 0 HA ALA A 33 8.986 -7.101 -1.797 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.897 -4.635 -1.633 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.585 -5.405 -0.710 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.008 -4.756 0.139 1.00 0.00 H new ATOM 507 N ASP A 34 11.634 -7.109 -0.239 1.00 0.00 N ATOM 508 CA ASP A 34 13.089 -7.015 -0.289 1.00 0.00 C ATOM 509 C ASP A 34 13.723 -8.402 -0.288 1.00 0.00 C ATOM 510 O ASP A 34 14.588 -8.702 -1.112 1.00 0.00 O ATOM 511 CB ASP A 34 13.609 -6.202 0.898 1.00 0.00 C ATOM 512 CG ASP A 34 12.688 -5.054 1.262 1.00 0.00 C ATOM 513 OD1 ASP A 34 12.046 -4.495 0.348 1.00 0.00 O ATOM 514 OD2 ASP A 34 12.608 -4.716 2.461 1.00 0.00 O ATOM 0 H ASP A 34 11.277 -7.749 0.471 1.00 0.00 H new ATOM 0 HA ASP A 34 13.365 -6.510 -1.215 1.00 0.00 H new ATOM 0 HB2 ASP A 34 13.725 -6.858 1.761 1.00 0.00 H new ATOM 0 HB3 ASP A 34 14.598 -5.809 0.660 1.00 0.00 H new ATOM 519 N CYS A 35 13.289 -9.245 0.643 1.00 0.00 N ATOM 520 CA CYS A 35 13.815 -10.601 0.753 1.00 0.00 C ATOM 521 C CYS A 35 12.775 -11.625 0.311 1.00 0.00 C ATOM 522 O CYS A 35 12.941 -12.825 0.526 1.00 0.00 O ATOM 523 CB CYS A 35 14.249 -10.887 2.192 1.00 0.00 C ATOM 524 SG CYS A 35 12.864 -11.102 3.357 1.00 0.00 S ATOM 0 H CYS A 35 12.574 -9.013 1.333 1.00 0.00 H new ATOM 0 HA CYS A 35 14.681 -10.682 0.096 1.00 0.00 H new ATOM 0 HB2 CYS A 35 14.862 -11.788 2.203 1.00 0.00 H new ATOM 0 HB3 CYS A 35 14.879 -10.068 2.540 1.00 0.00 H new ATOM 0 HG CYS A 35 13.316 -11.547 4.492 1.00 0.00 H new ATOM 529 N GLU A 36 11.703 -11.142 -0.310 1.00 0.00 N ATOM 530 CA GLU A 36 10.635 -12.017 -0.782 1.00 0.00 C ATOM 531 C GLU A 36 10.409 -13.172 0.189 1.00 0.00 C ATOM 532 O GLU A 36 10.166 -14.305 -0.225 1.00 0.00 O ATOM 533 CB GLU A 36 10.970 -12.562 -2.172 1.00 0.00 C ATOM 534 CG GLU A 36 12.159 -13.508 -2.185 1.00 0.00 C ATOM 535 CD GLU A 36 12.503 -13.993 -3.580 1.00 0.00 C ATOM 536 OE1 GLU A 36 11.589 -14.060 -4.428 1.00 0.00 O ATOM 537 OE2 GLU A 36 13.687 -14.306 -3.823 1.00 0.00 O ATOM 0 H GLU A 36 11.551 -10.151 -0.498 1.00 0.00 H new ATOM 0 HA GLU A 36 9.718 -11.431 -0.841 1.00 0.00 H new ATOM 0 HB2 GLU A 36 10.098 -13.082 -2.569 1.00 0.00 H new ATOM 0 HB3 GLU A 36 11.174 -11.726 -2.841 1.00 0.00 H new ATOM 0 HG2 GLU A 36 13.025 -13.003 -1.756 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.943 -14.366 -1.549 1.00 0.00 H new ATOM 544 N ALA A 37 10.492 -12.876 1.482 1.00 0.00 N ATOM 545 CA ALA A 37 10.295 -13.889 2.511 1.00 0.00 C ATOM 546 C ALA A 37 8.887 -14.471 2.447 1.00 0.00 C ATOM 547 O ALA A 37 7.963 -13.834 1.939 1.00 0.00 O ATOM 548 CB ALA A 37 10.562 -13.300 3.889 1.00 0.00 C ATOM 0 H ALA A 37 10.694 -11.943 1.841 1.00 0.00 H new ATOM 0 HA ALA A 37 11.003 -14.698 2.329 1.00 0.00 H new ATOM 0 HB1 ALA A 37 10.411 -14.067 4.648 1.00 0.00 H new ATOM 0 HB2 ALA A 37 11.589 -12.939 3.937 1.00 0.00 H new ATOM 0 HB3 ALA A 37 9.877 -12.472 4.070 1.00 0.00 H new ATOM 554 N LYS A 38 8.729 -15.684 2.965 1.00 0.00 N ATOM 555 CA LYS A 38 7.433 -16.353 2.967 1.00 0.00 C ATOM 556 C LYS A 38 6.636 -15.991 4.217 1.00 0.00 C ATOM 557 O LYS A 38 6.961 -16.428 5.320 1.00 0.00 O ATOM 558 CB LYS A 38 7.619 -17.870 2.890 1.00 0.00 C ATOM 559 CG LYS A 38 6.446 -18.594 2.253 1.00 0.00 C ATOM 560 CD LYS A 38 6.793 -20.037 1.927 1.00 0.00 C ATOM 561 CE LYS A 38 5.558 -20.925 1.944 1.00 0.00 C ATOM 562 NZ LYS A 38 5.838 -22.277 1.386 1.00 0.00 N ATOM 0 H LYS A 38 9.483 -16.225 3.389 1.00 0.00 H new ATOM 0 HA LYS A 38 6.877 -16.016 2.092 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.523 -18.089 2.321 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.773 -18.260 3.896 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.591 -18.568 2.928 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.148 -18.075 1.342 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.264 -20.086 0.945 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.520 -20.409 2.649 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.195 -21.023 2.967 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.763 -20.452 1.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.971 -22.851 1.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.160 -22.186 0.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.579 -22.739 1.951 1.00 0.00 H new ATOM 576 N GLY A 39 5.591 -15.189 4.035 1.00 0.00 N ATOM 577 CA GLY A 39 4.764 -14.784 5.156 1.00 0.00 C ATOM 578 C GLY A 39 5.146 -13.420 5.695 1.00 0.00 C ATOM 579 O GLY A 39 5.524 -13.271 6.858 1.00 0.00 O ATOM 0 H GLY A 39 5.303 -14.813 3.132 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.719 -14.769 4.846 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.850 -15.523 5.953 1.00 0.00 H new ATOM 583 N PRO A 40 5.052 -12.392 4.838 1.00 0.00 N ATOM 584 CA PRO A 40 5.388 -11.016 5.213 1.00 0.00 C ATOM 585 C PRO A 40 4.382 -10.419 6.191 1.00 0.00 C ATOM 586 O PRO A 40 3.487 -9.671 5.797 1.00 0.00 O ATOM 587 CB PRO A 40 5.347 -10.265 3.879 1.00 0.00 C ATOM 588 CG PRO A 40 4.423 -11.062 3.024 1.00 0.00 C ATOM 589 CD PRO A 40 4.610 -12.496 3.437 1.00 0.00 C ATOM 0 HA PRO A 40 6.350 -10.956 5.723 1.00 0.00 H new ATOM 0 HB2 PRO A 40 4.985 -9.245 4.010 1.00 0.00 H new ATOM 0 HB3 PRO A 40 6.339 -10.196 3.433 1.00 0.00 H new ATOM 0 HG2 PRO A 40 3.389 -10.746 3.167 1.00 0.00 H new ATOM 0 HG3 PRO A 40 4.655 -10.927 1.968 1.00 0.00 H new ATOM 0 HD2 PRO A 40 3.684 -13.064 3.349 1.00 0.00 H new ATOM 0 HD3 PRO A 40 5.352 -12.999 2.818 1.00 0.00 H new ATOM 597 N ARG A 41 4.535 -10.754 7.468 1.00 0.00 N ATOM 598 CA ARG A 41 3.639 -10.251 8.502 1.00 0.00 C ATOM 599 C ARG A 41 3.653 -8.726 8.539 1.00 0.00 C ATOM 600 O ARG A 41 2.720 -8.075 8.070 1.00 0.00 O ATOM 601 CB ARG A 41 4.040 -10.809 9.869 1.00 0.00 C ATOM 602 CG ARG A 41 3.458 -10.032 11.039 1.00 0.00 C ATOM 603 CD ARG A 41 1.939 -9.984 10.975 1.00 0.00 C ATOM 604 NE ARG A 41 1.329 -11.174 11.562 1.00 0.00 N ATOM 605 CZ ARG A 41 0.026 -11.427 11.523 1.00 0.00 C ATOM 606 NH1 ARG A 41 -0.800 -10.578 10.927 1.00 0.00 N ATOM 607 NH2 ARG A 41 -0.454 -12.532 12.080 1.00 0.00 N ATOM 0 H ARG A 41 5.271 -11.371 7.811 1.00 0.00 H new ATOM 0 HA ARG A 41 2.628 -10.582 8.264 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.717 -11.848 9.937 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.127 -10.808 9.948 1.00 0.00 H new ATOM 0 HG2 ARG A 41 3.769 -10.495 11.975 1.00 0.00 H new ATOM 0 HG3 ARG A 41 3.856 -9.017 11.037 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.582 -9.097 11.499 1.00 0.00 H new ATOM 0 HD3 ARG A 41 1.623 -9.889 9.936 1.00 0.00 H new ATOM 0 HE ARG A 41 1.937 -11.848 12.027 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.435 -9.728 10.497 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.800 -10.775 10.898 1.00 0.00 H new ATOM 0 HH21 ARG A 41 0.178 -13.188 12.539 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.455 -12.725 12.049 1.00 0.00 H new ATOM 621 N TRP A 42 4.717 -8.163 9.100 1.00 0.00 N ATOM 622 CA TRP A 42 4.852 -6.714 9.199 1.00 0.00 C ATOM 623 C TRP A 42 4.547 -6.046 7.863 1.00 0.00 C ATOM 624 O TRP A 42 4.400 -6.718 6.843 1.00 0.00 O ATOM 625 CB TRP A 42 6.263 -6.342 9.659 1.00 0.00 C ATOM 626 CG TRP A 42 6.597 -6.858 11.026 1.00 0.00 C ATOM 627 CD1 TRP A 42 7.028 -8.114 11.345 1.00 0.00 C ATOM 628 CD2 TRP A 42 6.526 -6.131 12.257 1.00 0.00 C ATOM 629 NE1 TRP A 42 7.229 -8.212 12.701 1.00 0.00 N ATOM 630 CE2 TRP A 42 6.929 -7.008 13.283 1.00 0.00 C ATOM 631 CE3 TRP A 42 6.163 -4.824 12.593 1.00 0.00 C ATOM 632 CZ2 TRP A 42 6.977 -6.619 14.619 1.00 0.00 C ATOM 633 CZ3 TRP A 42 6.211 -4.439 13.919 1.00 0.00 C ATOM 634 CH2 TRP A 42 6.616 -5.334 14.919 1.00 0.00 C ATOM 0 H TRP A 42 5.499 -8.687 9.493 1.00 0.00 H new ATOM 0 HA TRP A 42 4.132 -6.357 9.935 1.00 0.00 H new ATOM 0 HB2 TRP A 42 6.986 -6.734 8.944 1.00 0.00 H new ATOM 0 HB3 TRP A 42 6.365 -5.257 9.653 1.00 0.00 H new ATOM 0 HD1 TRP A 42 7.187 -8.913 10.636 1.00 0.00 H new ATOM 0 HE1 TRP A 42 7.549 -9.045 13.194 1.00 0.00 H new ATOM 0 HE3 TRP A 42 5.850 -4.127 11.829 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 7.288 -7.307 15.391 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 5.932 -3.431 14.190 1.00 0.00 H new ATOM 0 HH2 TRP A 42 6.644 -5.003 15.947 1.00 0.00 H new ATOM 645 N ALA A 43 4.454 -4.721 7.876 1.00 0.00 N ATOM 646 CA ALA A 43 4.169 -3.963 6.664 1.00 0.00 C ATOM 647 C ALA A 43 4.400 -2.471 6.882 1.00 0.00 C ATOM 648 O ALA A 43 3.758 -1.852 7.731 1.00 0.00 O ATOM 649 CB ALA A 43 2.741 -4.217 6.206 1.00 0.00 C ATOM 0 H ALA A 43 4.572 -4.150 8.713 1.00 0.00 H new ATOM 0 HA ALA A 43 4.854 -4.300 5.885 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.542 -3.645 5.300 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.608 -5.279 6.001 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.048 -3.910 6.989 1.00 0.00 H new ATOM 655 N SER A 44 5.320 -1.900 6.111 1.00 0.00 N ATOM 656 CA SER A 44 5.638 -0.481 6.224 1.00 0.00 C ATOM 657 C SER A 44 4.588 0.369 5.515 1.00 0.00 C ATOM 658 O SER A 44 4.463 0.327 4.291 1.00 0.00 O ATOM 659 CB SER A 44 7.021 -0.199 5.635 1.00 0.00 C ATOM 660 OG SER A 44 8.032 -0.343 6.617 1.00 0.00 O ATOM 0 H SER A 44 5.858 -2.398 5.402 1.00 0.00 H new ATOM 0 HA SER A 44 5.640 -0.217 7.282 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.213 -0.882 4.807 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.047 0.811 5.227 1.00 0.00 H new ATOM 0 HG SER A 44 8.907 -0.159 6.215 1.00 0.00 H new ATOM 666 N TRP A 45 3.835 1.138 6.293 1.00 0.00 N ATOM 667 CA TRP A 45 2.795 1.998 5.741 1.00 0.00 C ATOM 668 C TRP A 45 3.403 3.223 5.068 1.00 0.00 C ATOM 669 O TRP A 45 3.098 3.524 3.914 1.00 0.00 O ATOM 670 CB TRP A 45 1.826 2.433 6.842 1.00 0.00 C ATOM 671 CG TRP A 45 2.463 3.305 7.882 1.00 0.00 C ATOM 672 CD1 TRP A 45 3.223 2.896 8.940 1.00 0.00 C ATOM 673 CD2 TRP A 45 2.392 4.732 7.964 1.00 0.00 C ATOM 674 NE1 TRP A 45 3.629 3.983 9.675 1.00 0.00 N ATOM 675 CE2 TRP A 45 3.133 5.121 9.097 1.00 0.00 C ATOM 676 CE3 TRP A 45 1.776 5.720 7.191 1.00 0.00 C ATOM 677 CZ2 TRP A 45 3.273 6.455 9.473 1.00 0.00 C ATOM 678 CZ3 TRP A 45 1.915 7.043 7.565 1.00 0.00 C ATOM 679 CH2 TRP A 45 2.659 7.401 8.697 1.00 0.00 C ATOM 0 H TRP A 45 3.925 1.184 7.308 1.00 0.00 H new ATOM 0 HA TRP A 45 2.248 1.428 4.990 1.00 0.00 H new ATOM 0 HB2 TRP A 45 0.991 2.969 6.391 1.00 0.00 H new ATOM 0 HB3 TRP A 45 1.413 1.547 7.324 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.469 1.869 9.166 1.00 0.00 H new ATOM 0 HE1 TRP A 45 4.206 3.948 10.515 1.00 0.00 H new ATOM 0 HE3 TRP A 45 1.201 5.454 6.316 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 3.845 6.733 10.346 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 1.442 7.814 6.975 1.00 0.00 H new ATOM 0 HH2 TRP A 45 2.750 8.444 8.963 1.00 0.00 H new ATOM 690 N ASN A 46 4.264 3.927 5.795 1.00 0.00 N ATOM 691 CA ASN A 46 4.914 5.121 5.267 1.00 0.00 C ATOM 692 C ASN A 46 5.380 4.896 3.832 1.00 0.00 C ATOM 693 O ASN A 46 5.323 5.804 3.001 1.00 0.00 O ATOM 694 CB ASN A 46 6.105 5.509 6.146 1.00 0.00 C ATOM 695 CG ASN A 46 7.397 4.860 5.690 1.00 0.00 C ATOM 696 OD1 ASN A 46 7.786 3.806 6.192 1.00 0.00 O ATOM 697 ND2 ASN A 46 8.069 5.489 4.733 1.00 0.00 N ATOM 0 H ASN A 46 4.528 3.691 6.752 1.00 0.00 H new ATOM 0 HA ASN A 46 4.187 5.933 5.272 1.00 0.00 H new ATOM 0 HB2 ASN A 46 6.223 6.593 6.136 1.00 0.00 H new ATOM 0 HB3 ASN A 46 5.901 5.220 7.177 1.00 0.00 H new ATOM 0 HD21 ASN A 46 8.945 5.100 4.385 1.00 0.00 H new ATOM 0 HD22 ASN A 46 7.709 6.361 4.346 1.00 0.00 H new ATOM 704 N ILE A 47 5.839 3.683 3.547 1.00 0.00 N ATOM 705 CA ILE A 47 6.312 3.339 2.212 1.00 0.00 C ATOM 706 C ILE A 47 5.179 2.791 1.351 1.00 0.00 C ATOM 707 O ILE A 47 5.011 3.191 0.200 1.00 0.00 O ATOM 708 CB ILE A 47 7.449 2.301 2.268 1.00 0.00 C ATOM 709 CG1 ILE A 47 8.655 2.872 3.016 1.00 0.00 C ATOM 710 CG2 ILE A 47 7.844 1.873 0.862 1.00 0.00 C ATOM 711 CD1 ILE A 47 9.739 1.851 3.283 1.00 0.00 C ATOM 0 H ILE A 47 5.894 2.921 4.223 1.00 0.00 H new ATOM 0 HA ILE A 47 6.692 4.258 1.765 1.00 0.00 H new ATOM 0 HB ILE A 47 7.094 1.423 2.808 1.00 0.00 H new ATOM 0 HG12 ILE A 47 9.076 3.694 2.437 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.319 3.290 3.965 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.648 1.139 0.917 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.983 1.430 0.361 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.184 2.742 0.299 1.00 0.00 H new ATOM 0 HD11 ILE A 47 10.563 2.326 3.816 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.334 1.040 3.889 1.00 0.00 H new ATOM 0 HD13 ILE A 47 10.102 1.450 2.337 1.00 0.00 H new ATOM 723 N GLY A 48 4.403 1.872 1.919 1.00 0.00 N ATOM 724 CA GLY A 48 3.294 1.285 1.190 1.00 0.00 C ATOM 725 C GLY A 48 3.616 -0.099 0.662 1.00 0.00 C ATOM 726 O GLY A 48 3.265 -0.437 -0.469 1.00 0.00 O ATOM 0 H GLY A 48 4.523 1.524 2.870 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.423 1.228 1.843 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.026 1.935 0.357 1.00 0.00 H new ATOM 730 N VAL A 49 4.287 -0.902 1.481 1.00 0.00 N ATOM 731 CA VAL A 49 4.657 -2.257 1.090 1.00 0.00 C ATOM 732 C VAL A 49 4.729 -3.179 2.303 1.00 0.00 C ATOM 733 O VAL A 49 4.897 -2.722 3.434 1.00 0.00 O ATOM 734 CB VAL A 49 6.013 -2.281 0.360 1.00 0.00 C ATOM 735 CG1 VAL A 49 5.924 -1.521 -0.955 1.00 0.00 C ATOM 736 CG2 VAL A 49 7.105 -1.702 1.246 1.00 0.00 C ATOM 0 H VAL A 49 4.586 -0.638 2.420 1.00 0.00 H new ATOM 0 HA VAL A 49 3.882 -2.613 0.412 1.00 0.00 H new ATOM 0 HB VAL A 49 6.268 -3.317 0.138 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.891 -1.548 -1.457 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.171 -1.984 -1.593 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.646 -0.485 -0.759 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.056 -1.727 0.714 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.858 -0.671 1.501 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.184 -2.292 2.159 1.00 0.00 H new ATOM 746 N PHE A 50 4.602 -4.479 2.059 1.00 0.00 N ATOM 747 CA PHE A 50 4.653 -5.466 3.132 1.00 0.00 C ATOM 748 C PHE A 50 6.057 -6.048 3.270 1.00 0.00 C ATOM 749 O PHE A 50 6.624 -6.564 2.306 1.00 0.00 O ATOM 750 CB PHE A 50 3.647 -6.589 2.868 1.00 0.00 C ATOM 751 CG PHE A 50 2.220 -6.121 2.841 1.00 0.00 C ATOM 752 CD1 PHE A 50 1.676 -5.582 1.687 1.00 0.00 C ATOM 753 CD2 PHE A 50 1.423 -6.222 3.970 1.00 0.00 C ATOM 754 CE1 PHE A 50 0.363 -5.151 1.660 1.00 0.00 C ATOM 755 CE2 PHE A 50 0.110 -5.792 3.949 1.00 0.00 C ATOM 756 CZ PHE A 50 -0.421 -5.257 2.792 1.00 0.00 C ATOM 0 H PHE A 50 4.463 -4.874 1.129 1.00 0.00 H new ATOM 0 HA PHE A 50 4.393 -4.966 4.065 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.884 -7.062 1.915 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.756 -7.352 3.638 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.284 -5.498 0.799 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.833 -6.642 4.877 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.050 -4.732 0.754 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.500 -5.874 4.836 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.448 -4.922 2.772 1.00 0.00 H new ATOM 766 N ILE A 51 6.612 -5.959 4.474 1.00 0.00 N ATOM 767 CA ILE A 51 7.948 -6.476 4.738 1.00 0.00 C ATOM 768 C ILE A 51 7.953 -7.389 5.960 1.00 0.00 C ATOM 769 O ILE A 51 7.091 -7.280 6.833 1.00 0.00 O ATOM 770 CB ILE A 51 8.960 -5.336 4.960 1.00 0.00 C ATOM 771 CG1 ILE A 51 8.415 -4.333 5.979 1.00 0.00 C ATOM 772 CG2 ILE A 51 9.274 -4.643 3.642 1.00 0.00 C ATOM 773 CD1 ILE A 51 9.465 -3.384 6.514 1.00 0.00 C ATOM 0 H ILE A 51 6.157 -5.534 5.282 1.00 0.00 H new ATOM 0 HA ILE A 51 8.244 -7.048 3.858 1.00 0.00 H new ATOM 0 HB ILE A 51 9.883 -5.760 5.354 1.00 0.00 H new ATOM 0 HG12 ILE A 51 7.616 -3.754 5.515 1.00 0.00 H new ATOM 0 HG13 ILE A 51 7.971 -4.878 6.812 1.00 0.00 H new ATOM 0 HG21 ILE A 51 9.990 -3.840 3.815 1.00 0.00 H new ATOM 0 HG22 ILE A 51 9.699 -5.364 2.944 1.00 0.00 H new ATOM 0 HG23 ILE A 51 8.358 -4.228 3.222 1.00 0.00 H new ATOM 0 HD11 ILE A 51 9.008 -2.702 7.231 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.253 -3.954 7.007 1.00 0.00 H new ATOM 0 HD13 ILE A 51 9.892 -2.812 5.690 1.00 0.00 H new ATOM 785 N CYS A 52 8.930 -8.288 6.016 1.00 0.00 N ATOM 786 CA CYS A 52 9.048 -9.220 7.131 1.00 0.00 C ATOM 787 C CYS A 52 9.539 -8.506 8.387 1.00 0.00 C ATOM 788 O CYS A 52 9.689 -7.284 8.400 1.00 0.00 O ATOM 789 CB CYS A 52 10.005 -10.359 6.772 1.00 0.00 C ATOM 790 SG CYS A 52 11.714 -9.818 6.443 1.00 0.00 S ATOM 0 H CYS A 52 9.651 -8.391 5.302 1.00 0.00 H new ATOM 0 HA CYS A 52 8.060 -9.634 7.332 1.00 0.00 H new ATOM 0 HB2 CYS A 52 10.015 -11.082 7.588 1.00 0.00 H new ATOM 0 HB3 CYS A 52 9.623 -10.876 5.892 1.00 0.00 H new ATOM 0 HG CYS A 52 12.112 -10.305 5.305 1.00 0.00 H new ATOM 795 N ILE A 53 9.788 -9.277 9.440 1.00 0.00 N ATOM 796 CA ILE A 53 10.263 -8.718 10.700 1.00 0.00 C ATOM 797 C ILE A 53 11.736 -8.331 10.609 1.00 0.00 C ATOM 798 O ILE A 53 12.177 -7.374 11.245 1.00 0.00 O ATOM 799 CB ILE A 53 10.076 -9.711 11.862 1.00 0.00 C ATOM 800 CG1 ILE A 53 10.530 -9.079 13.180 1.00 0.00 C ATOM 801 CG2 ILE A 53 10.846 -10.995 11.591 1.00 0.00 C ATOM 802 CD1 ILE A 53 9.883 -9.696 14.400 1.00 0.00 C ATOM 0 H ILE A 53 9.669 -10.290 9.446 1.00 0.00 H new ATOM 0 HA ILE A 53 9.667 -7.827 10.895 1.00 0.00 H new ATOM 0 HB ILE A 53 9.017 -9.956 11.944 1.00 0.00 H new ATOM 0 HG12 ILE A 53 11.612 -9.174 13.265 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.304 -8.013 13.159 1.00 0.00 H new ATOM 0 HG21 ILE A 53 10.704 -11.687 12.421 1.00 0.00 H new ATOM 0 HG22 ILE A 53 10.480 -11.452 10.672 1.00 0.00 H new ATOM 0 HG23 ILE A 53 11.907 -10.768 11.486 1.00 0.00 H new ATOM 0 HD11 ILE A 53 10.251 -9.199 15.298 1.00 0.00 H new ATOM 0 HD12 ILE A 53 8.801 -9.577 14.337 1.00 0.00 H new ATOM 0 HD13 ILE A 53 10.130 -10.757 14.445 1.00 0.00 H new ATOM 814 N ARG A 54 12.491 -9.080 9.813 1.00 0.00 N ATOM 815 CA ARG A 54 13.914 -8.815 9.638 1.00 0.00 C ATOM 816 C ARG A 54 14.136 -7.466 8.961 1.00 0.00 C ATOM 817 O ARG A 54 14.626 -6.521 9.581 1.00 0.00 O ATOM 818 CB ARG A 54 14.563 -9.926 8.810 1.00 0.00 C ATOM 819 CG ARG A 54 16.074 -9.802 8.704 1.00 0.00 C ATOM 820 CD ARG A 54 16.483 -8.991 7.485 1.00 0.00 C ATOM 821 NE ARG A 54 16.112 -9.653 6.237 1.00 0.00 N ATOM 822 CZ ARG A 54 16.783 -10.676 5.720 1.00 0.00 C ATOM 823 NH1 ARG A 54 17.854 -11.151 6.340 1.00 0.00 N ATOM 824 NH2 ARG A 54 16.383 -11.226 4.581 1.00 0.00 N ATOM 0 H ARG A 54 12.141 -9.875 9.279 1.00 0.00 H new ATOM 0 HA ARG A 54 14.377 -8.788 10.624 1.00 0.00 H new ATOM 0 HB2 ARG A 54 14.316 -10.890 9.254 1.00 0.00 H new ATOM 0 HB3 ARG A 54 14.135 -9.918 7.808 1.00 0.00 H new ATOM 0 HG2 ARG A 54 16.465 -9.329 9.605 1.00 0.00 H new ATOM 0 HG3 ARG A 54 16.518 -10.796 8.647 1.00 0.00 H new ATOM 0 HD2 ARG A 54 16.012 -8.009 7.528 1.00 0.00 H new ATOM 0 HD3 ARG A 54 17.561 -8.829 7.503 1.00 0.00 H new ATOM 0 HE ARG A 54 15.293 -9.311 5.735 1.00 0.00 H new ATOM 0 HH11 ARG A 54 18.164 -10.731 7.216 1.00 0.00 H new ATOM 0 HH12 ARG A 54 18.368 -11.937 5.941 1.00 0.00 H new ATOM 0 HH21 ARG A 54 15.559 -10.863 4.101 1.00 0.00 H new ATOM 0 HH22 ARG A 54 16.899 -12.012 4.185 1.00 0.00 H new ATOM 838 N CYS A 55 13.774 -7.383 7.685 1.00 0.00 N ATOM 839 CA CYS A 55 13.934 -6.151 6.923 1.00 0.00 C ATOM 840 C CYS A 55 13.459 -4.946 7.730 1.00 0.00 C ATOM 841 O CYS A 55 14.139 -3.923 7.795 1.00 0.00 O ATOM 842 CB CYS A 55 13.157 -6.235 5.607 1.00 0.00 C ATOM 843 SG CYS A 55 13.871 -7.394 4.396 1.00 0.00 S ATOM 0 H CYS A 55 13.368 -8.155 7.157 1.00 0.00 H new ATOM 0 HA CYS A 55 14.994 -6.025 6.704 1.00 0.00 H new ATOM 0 HB2 CYS A 55 12.132 -6.536 5.821 1.00 0.00 H new ATOM 0 HB3 CYS A 55 13.111 -5.242 5.160 1.00 0.00 H new ATOM 0 HG CYS A 55 13.444 -8.597 4.643 1.00 0.00 H new ATOM 848 N ALA A 56 12.287 -5.076 8.343 1.00 0.00 N ATOM 849 CA ALA A 56 11.722 -4.000 9.147 1.00 0.00 C ATOM 850 C ALA A 56 12.745 -3.464 10.143 1.00 0.00 C ATOM 851 O ALA A 56 13.006 -2.263 10.193 1.00 0.00 O ATOM 852 CB ALA A 56 10.477 -4.484 9.876 1.00 0.00 C ATOM 0 H ALA A 56 11.710 -5.916 8.298 1.00 0.00 H new ATOM 0 HA ALA A 56 11.445 -3.186 8.477 1.00 0.00 H new ATOM 0 HB1 ALA A 56 10.065 -3.670 10.473 1.00 0.00 H new ATOM 0 HB2 ALA A 56 9.734 -4.813 9.149 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.738 -5.317 10.529 1.00 0.00 H new ATOM 858 N GLY A 57 13.321 -4.363 10.935 1.00 0.00 N ATOM 859 CA GLY A 57 14.309 -3.960 11.920 1.00 0.00 C ATOM 860 C GLY A 57 15.292 -2.945 11.372 1.00 0.00 C ATOM 861 O GLY A 57 15.872 -2.164 12.126 1.00 0.00 O ATOM 0 H GLY A 57 13.122 -5.363 10.913 1.00 0.00 H new ATOM 0 HA2 GLY A 57 13.802 -3.538 12.788 1.00 0.00 H new ATOM 0 HA3 GLY A 57 14.853 -4.839 12.265 1.00 0.00 H new ATOM 865 N ILE A 58 15.482 -2.958 10.057 1.00 0.00 N ATOM 866 CA ILE A 58 16.404 -2.032 9.410 1.00 0.00 C ATOM 867 C ILE A 58 15.694 -0.744 9.004 1.00 0.00 C ATOM 868 O ILE A 58 16.275 0.340 9.053 1.00 0.00 O ATOM 869 CB ILE A 58 17.053 -2.662 8.164 1.00 0.00 C ATOM 870 CG1 ILE A 58 17.955 -3.830 8.568 1.00 0.00 C ATOM 871 CG2 ILE A 58 17.845 -1.617 7.393 1.00 0.00 C ATOM 872 CD1 ILE A 58 17.255 -5.171 8.541 1.00 0.00 C ATOM 0 H ILE A 58 15.010 -3.599 9.419 1.00 0.00 H new ATOM 0 HA ILE A 58 17.183 -1.802 10.137 1.00 0.00 H new ATOM 0 HB ILE A 58 16.264 -3.043 7.515 1.00 0.00 H new ATOM 0 HG12 ILE A 58 18.814 -3.864 7.898 1.00 0.00 H new ATOM 0 HG13 ILE A 58 18.341 -3.651 9.572 1.00 0.00 H new ATOM 0 HG21 ILE A 58 18.298 -2.078 6.515 1.00 0.00 H new ATOM 0 HG22 ILE A 58 17.178 -0.814 7.078 1.00 0.00 H new ATOM 0 HG23 ILE A 58 18.628 -1.209 8.032 1.00 0.00 H new ATOM 0 HD11 ILE A 58 17.954 -5.952 8.838 1.00 0.00 H new ATOM 0 HD12 ILE A 58 16.412 -5.156 9.232 1.00 0.00 H new ATOM 0 HD13 ILE A 58 16.893 -5.372 7.533 1.00 0.00 H new ATOM 884 N HIS A 59 14.433 -0.872 8.603 1.00 0.00 N ATOM 885 CA HIS A 59 13.642 0.282 8.190 1.00 0.00 C ATOM 886 C HIS A 59 13.469 1.264 9.345 1.00 0.00 C ATOM 887 O HIS A 59 13.424 2.477 9.140 1.00 0.00 O ATOM 888 CB HIS A 59 12.273 -0.168 7.678 1.00 0.00 C ATOM 889 CG HIS A 59 12.281 -0.592 6.241 1.00 0.00 C ATOM 890 ND1 HIS A 59 11.728 0.166 5.230 1.00 0.00 N ATOM 891 CD2 HIS A 59 12.781 -1.701 5.648 1.00 0.00 C ATOM 892 CE1 HIS A 59 11.886 -0.461 4.078 1.00 0.00 C ATOM 893 NE2 HIS A 59 12.522 -1.596 4.304 1.00 0.00 N ATOM 0 H HIS A 59 13.937 -1.762 8.555 1.00 0.00 H new ATOM 0 HA HIS A 59 14.175 0.787 7.384 1.00 0.00 H new ATOM 0 HB2 HIS A 59 11.919 -0.997 8.291 1.00 0.00 H new ATOM 0 HB3 HIS A 59 11.561 0.648 7.804 1.00 0.00 H new ATOM 0 HD2 HIS A 59 13.289 -2.517 6.141 1.00 0.00 H new ATOM 0 HE1 HIS A 59 11.552 -0.106 3.115 1.00 0.00 H new ATOM 0 HE2 HIS A 59 12.779 -2.283 3.595 1.00 0.00 H new ATOM 901 N ARG A 60 13.370 0.731 10.559 1.00 0.00 N ATOM 902 CA ARG A 60 13.200 1.559 11.746 1.00 0.00 C ATOM 903 C ARG A 60 14.415 2.457 11.961 1.00 0.00 C ATOM 904 O ARG A 60 14.278 3.656 12.203 1.00 0.00 O ATOM 905 CB ARG A 60 12.976 0.682 12.979 1.00 0.00 C ATOM 906 CG ARG A 60 12.076 -0.515 12.719 1.00 0.00 C ATOM 907 CD ARG A 60 11.721 -1.236 14.010 1.00 0.00 C ATOM 908 NE ARG A 60 10.634 -0.574 14.726 1.00 0.00 N ATOM 909 CZ ARG A 60 10.004 -1.110 15.765 1.00 0.00 C ATOM 910 NH1 ARG A 60 10.352 -2.311 16.207 1.00 0.00 N ATOM 911 NH2 ARG A 60 9.025 -0.445 16.364 1.00 0.00 N ATOM 0 H ARG A 60 13.405 -0.271 10.746 1.00 0.00 H new ATOM 0 HA ARG A 60 12.325 2.191 11.595 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.941 0.328 13.343 1.00 0.00 H new ATOM 0 HB3 ARG A 60 12.539 1.289 13.772 1.00 0.00 H new ATOM 0 HG2 ARG A 60 11.163 -0.184 12.223 1.00 0.00 H new ATOM 0 HG3 ARG A 60 12.575 -1.206 12.040 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.434 -2.263 13.784 1.00 0.00 H new ATOM 0 HD3 ARG A 60 12.601 -1.285 14.652 1.00 0.00 H new ATOM 0 HE ARG A 60 10.342 0.351 14.411 1.00 0.00 H new ATOM 0 HH11 ARG A 60 11.105 -2.825 15.749 1.00 0.00 H new ATOM 0 HH12 ARG A 60 9.867 -2.721 17.005 1.00 0.00 H new ATOM 0 HH21 ARG A 60 8.755 0.479 16.027 1.00 0.00 H new ATOM 0 HH22 ARG A 60 8.542 -0.858 17.162 1.00 0.00 H new ATOM 925 N ASN A 61 15.603 1.868 11.872 1.00 0.00 N ATOM 926 CA ASN A 61 16.842 2.614 12.058 1.00 0.00 C ATOM 927 C ASN A 61 16.908 3.805 11.107 1.00 0.00 C ATOM 928 O ASN A 61 17.209 4.927 11.518 1.00 0.00 O ATOM 929 CB ASN A 61 18.050 1.702 11.835 1.00 0.00 C ATOM 930 CG ASN A 61 18.588 1.791 10.420 1.00 0.00 C ATOM 931 OD1 ASN A 61 18.970 2.865 9.956 1.00 0.00 O ATOM 932 ND2 ASN A 61 18.620 0.658 9.727 1.00 0.00 N ATOM 0 H ASN A 61 15.734 0.876 11.672 1.00 0.00 H new ATOM 0 HA ASN A 61 16.861 2.987 13.082 1.00 0.00 H new ATOM 0 HB2 ASN A 61 18.839 1.970 12.538 1.00 0.00 H new ATOM 0 HB3 ASN A 61 17.768 0.671 12.049 1.00 0.00 H new ATOM 0 HD21 ASN A 61 18.972 0.656 8.770 1.00 0.00 H new ATOM 0 HD22 ASN A 61 18.293 -0.209 10.152 1.00 0.00 H new ATOM 939 N LEU A 62 16.624 3.555 9.834 1.00 0.00 N ATOM 940 CA LEU A 62 16.650 4.606 8.823 1.00 0.00 C ATOM 941 C LEU A 62 16.216 5.943 9.416 1.00 0.00 C ATOM 942 O LEU A 62 16.904 6.952 9.268 1.00 0.00 O ATOM 943 CB LEU A 62 15.740 4.236 7.650 1.00 0.00 C ATOM 944 CG LEU A 62 16.049 2.912 6.952 1.00 0.00 C ATOM 945 CD1 LEU A 62 15.219 2.769 5.686 1.00 0.00 C ATOM 946 CD2 LEU A 62 17.534 2.811 6.634 1.00 0.00 C ATOM 0 H LEU A 62 16.373 2.633 9.477 1.00 0.00 H new ATOM 0 HA LEU A 62 17.674 4.704 8.463 1.00 0.00 H new ATOM 0 HB2 LEU A 62 14.712 4.202 8.011 1.00 0.00 H new ATOM 0 HB3 LEU A 62 15.792 5.035 6.910 1.00 0.00 H new ATOM 0 HG LEU A 62 15.786 2.097 7.627 1.00 0.00 H new ATOM 0 HD11 LEU A 62 15.453 1.820 5.203 1.00 0.00 H new ATOM 0 HD12 LEU A 62 14.159 2.795 5.941 1.00 0.00 H new ATOM 0 HD13 LEU A 62 15.449 3.589 5.006 1.00 0.00 H new ATOM 0 HD21 LEU A 62 17.736 1.862 6.137 1.00 0.00 H new ATOM 0 HD22 LEU A 62 17.822 3.632 5.978 1.00 0.00 H new ATOM 0 HD23 LEU A 62 18.109 2.866 7.559 1.00 0.00 H new ATOM 958 N GLY A 63 15.070 5.941 10.090 1.00 0.00 N ATOM 959 CA GLY A 63 14.566 7.159 10.698 1.00 0.00 C ATOM 960 C GLY A 63 13.067 7.313 10.530 1.00 0.00 C ATOM 961 O GLY A 63 12.547 7.223 9.417 1.00 0.00 O ATOM 0 H GLY A 63 14.482 5.119 10.226 1.00 0.00 H new ATOM 0 HA2 GLY A 63 14.812 7.160 11.760 1.00 0.00 H new ATOM 0 HA3 GLY A 63 15.069 8.018 10.254 1.00 0.00 H new ATOM 965 N VAL A 64 12.369 7.543 11.637 1.00 0.00 N ATOM 966 CA VAL A 64 10.921 7.709 11.608 1.00 0.00 C ATOM 967 C VAL A 64 10.489 8.560 10.418 1.00 0.00 C ATOM 968 O VAL A 64 9.472 8.285 9.781 1.00 0.00 O ATOM 969 CB VAL A 64 10.404 8.360 12.904 1.00 0.00 C ATOM 970 CG1 VAL A 64 10.575 7.413 14.082 1.00 0.00 C ATOM 971 CG2 VAL A 64 11.120 9.677 13.161 1.00 0.00 C ATOM 0 H VAL A 64 12.783 7.619 12.566 1.00 0.00 H new ATOM 0 HA VAL A 64 10.490 6.712 11.514 1.00 0.00 H new ATOM 0 HB VAL A 64 9.340 8.568 12.786 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.204 7.890 14.989 1.00 0.00 H new ATOM 0 HG12 VAL A 64 10.013 6.498 13.898 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.631 7.172 14.205 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.742 10.123 14.081 1.00 0.00 H new ATOM 0 HG22 VAL A 64 12.190 9.496 13.259 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.941 10.357 12.328 1.00 0.00 H new ATOM 981 N HIS A 65 11.270 9.595 10.124 1.00 0.00 N ATOM 982 CA HIS A 65 10.969 10.486 9.009 1.00 0.00 C ATOM 983 C HIS A 65 11.183 9.779 7.674 1.00 0.00 C ATOM 984 O HIS A 65 10.468 10.032 6.705 1.00 0.00 O ATOM 985 CB HIS A 65 11.841 11.740 9.081 1.00 0.00 C ATOM 986 CG HIS A 65 13.296 11.446 9.281 1.00 0.00 C ATOM 987 ND1 HIS A 65 13.832 11.091 10.501 1.00 0.00 N ATOM 988 CD2 HIS A 65 14.329 11.454 8.406 1.00 0.00 C ATOM 989 CE1 HIS A 65 15.132 10.896 10.368 1.00 0.00 C ATOM 990 NE2 HIS A 65 15.459 11.109 9.106 1.00 0.00 N ATOM 0 H HIS A 65 12.115 9.837 10.642 1.00 0.00 H new ATOM 0 HA HIS A 65 9.921 10.776 9.082 1.00 0.00 H new ATOM 0 HB2 HIS A 65 11.717 12.312 8.161 1.00 0.00 H new ATOM 0 HB3 HIS A 65 11.490 12.370 9.898 1.00 0.00 H new ATOM 0 HD2 HIS A 65 14.275 11.688 7.353 1.00 0.00 H new ATOM 0 HE1 HIS A 65 15.812 10.611 11.157 1.00 0.00 H new ATOM 0 HE2 HIS A 65 16.398 11.030 8.715 1.00 0.00 H new ATOM 998 N ILE A 66 12.172 8.893 7.632 1.00 0.00 N ATOM 999 CA ILE A 66 12.480 8.149 6.417 1.00 0.00 C ATOM 1000 C ILE A 66 11.473 7.027 6.190 1.00 0.00 C ATOM 1001 O ILE A 66 10.850 6.943 5.132 1.00 0.00 O ATOM 1002 CB ILE A 66 13.898 7.549 6.468 1.00 0.00 C ATOM 1003 CG1 ILE A 66 14.947 8.663 6.459 1.00 0.00 C ATOM 1004 CG2 ILE A 66 14.114 6.601 5.298 1.00 0.00 C ATOM 1005 CD1 ILE A 66 16.314 8.209 6.921 1.00 0.00 C ATOM 0 H ILE A 66 12.774 8.673 8.425 1.00 0.00 H new ATOM 0 HA ILE A 66 12.424 8.857 5.590 1.00 0.00 H new ATOM 0 HB ILE A 66 14.004 6.983 7.393 1.00 0.00 H new ATOM 0 HG12 ILE A 66 15.029 9.066 5.450 1.00 0.00 H new ATOM 0 HG13 ILE A 66 14.607 9.476 7.100 1.00 0.00 H new ATOM 0 HG21 ILE A 66 15.120 6.185 5.348 1.00 0.00 H new ATOM 0 HG22 ILE A 66 13.384 5.793 5.345 1.00 0.00 H new ATOM 0 HG23 ILE A 66 13.992 7.145 4.361 1.00 0.00 H new ATOM 0 HD11 ILE A 66 17.007 9.050 6.889 1.00 0.00 H new ATOM 0 HD12 ILE A 66 16.247 7.833 7.942 1.00 0.00 H new ATOM 0 HD13 ILE A 66 16.675 7.416 6.266 1.00 0.00 H new ATOM 1017 N SER A 67 11.318 6.166 7.190 1.00 0.00 N ATOM 1018 CA SER A 67 10.388 5.047 7.099 1.00 0.00 C ATOM 1019 C SER A 67 9.956 4.585 8.488 1.00 0.00 C ATOM 1020 O SER A 67 10.779 4.452 9.394 1.00 0.00 O ATOM 1021 CB SER A 67 11.029 3.884 6.339 1.00 0.00 C ATOM 1022 OG SER A 67 11.681 4.339 5.166 1.00 0.00 O ATOM 0 H SER A 67 11.825 6.222 8.073 1.00 0.00 H new ATOM 0 HA SER A 67 9.505 5.384 6.556 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.746 3.376 6.983 1.00 0.00 H new ATOM 0 HB3 SER A 67 10.265 3.153 6.074 1.00 0.00 H new ATOM 0 HG SER A 67 12.084 3.577 4.699 1.00 0.00 H new ATOM 1028 N ARG A 68 8.659 4.341 8.646 1.00 0.00 N ATOM 1029 CA ARG A 68 8.117 3.895 9.924 1.00 0.00 C ATOM 1030 C ARG A 68 7.650 2.445 9.840 1.00 0.00 C ATOM 1031 O ARG A 68 7.037 2.035 8.854 1.00 0.00 O ATOM 1032 CB ARG A 68 6.953 4.792 10.349 1.00 0.00 C ATOM 1033 CG ARG A 68 7.379 5.986 11.189 1.00 0.00 C ATOM 1034 CD ARG A 68 6.289 6.398 12.165 1.00 0.00 C ATOM 1035 NE ARG A 68 6.635 7.618 12.889 1.00 0.00 N ATOM 1036 CZ ARG A 68 5.753 8.349 13.562 1.00 0.00 C ATOM 1037 NH1 ARG A 68 4.479 7.983 13.604 1.00 0.00 N ATOM 1038 NH2 ARG A 68 6.144 9.447 14.195 1.00 0.00 N ATOM 0 H ARG A 68 7.965 4.445 7.906 1.00 0.00 H new ATOM 0 HA ARG A 68 8.910 3.961 10.669 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.438 5.151 9.458 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.235 4.198 10.915 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.287 5.740 11.739 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.620 6.825 10.536 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.356 6.551 11.623 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.116 5.591 12.877 1.00 0.00 H new ATOM 0 HE ARG A 68 7.607 7.926 12.877 1.00 0.00 H new ATOM 0 HH11 ARG A 68 4.175 7.139 13.119 1.00 0.00 H new ATOM 0 HH12 ARG A 68 3.804 8.546 14.121 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.123 9.731 14.166 1.00 0.00 H new ATOM 0 HH22 ARG A 68 5.466 10.007 14.711 1.00 0.00 H new ATOM 1052 N VAL A 69 7.945 1.672 10.881 1.00 0.00 N ATOM 1053 CA VAL A 69 7.556 0.268 10.925 1.00 0.00 C ATOM 1054 C VAL A 69 6.515 0.020 12.011 1.00 0.00 C ATOM 1055 O VAL A 69 6.629 0.533 13.125 1.00 0.00 O ATOM 1056 CB VAL A 69 8.771 -0.644 11.177 1.00 0.00 C ATOM 1057 CG1 VAL A 69 8.348 -2.105 11.198 1.00 0.00 C ATOM 1058 CG2 VAL A 69 9.842 -0.406 10.123 1.00 0.00 C ATOM 0 H VAL A 69 8.452 1.995 11.705 1.00 0.00 H new ATOM 0 HA VAL A 69 7.127 0.028 9.952 1.00 0.00 H new ATOM 0 HB VAL A 69 9.191 -0.399 12.152 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.220 -2.734 11.377 1.00 0.00 H new ATOM 0 HG12 VAL A 69 7.619 -2.261 11.993 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.902 -2.368 10.239 1.00 0.00 H new ATOM 0 HG21 VAL A 69 10.694 -1.058 10.316 1.00 0.00 H new ATOM 0 HG22 VAL A 69 9.435 -0.623 9.135 1.00 0.00 H new ATOM 0 HG23 VAL A 69 10.166 0.634 10.162 1.00 0.00 H new ATOM 1068 N LYS A 70 5.499 -0.770 11.681 1.00 0.00 N ATOM 1069 CA LYS A 70 4.437 -1.088 12.628 1.00 0.00 C ATOM 1070 C LYS A 70 3.646 -2.308 12.168 1.00 0.00 C ATOM 1071 O LYS A 70 3.225 -2.388 11.014 1.00 0.00 O ATOM 1072 CB LYS A 70 3.498 0.109 12.794 1.00 0.00 C ATOM 1073 CG LYS A 70 2.942 0.633 11.481 1.00 0.00 C ATOM 1074 CD LYS A 70 1.536 1.183 11.651 1.00 0.00 C ATOM 1075 CE LYS A 70 1.537 2.478 12.449 1.00 0.00 C ATOM 1076 NZ LYS A 70 1.684 3.671 11.570 1.00 0.00 N ATOM 0 H LYS A 70 5.389 -1.202 10.764 1.00 0.00 H new ATOM 0 HA LYS A 70 4.898 -1.316 13.589 1.00 0.00 H new ATOM 0 HB2 LYS A 70 2.669 -0.177 13.441 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.034 0.913 13.299 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.595 1.415 11.094 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.933 -0.169 10.743 1.00 0.00 H new ATOM 0 HD2 LYS A 70 1.092 1.358 10.671 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.914 0.444 12.155 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.609 2.556 13.015 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.352 2.458 13.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 2.096 4.455 12.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.309 3.439 10.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.750 3.953 11.209 1.00 0.00 H new ATOM 1090 N SER A 71 3.446 -3.256 13.078 1.00 0.00 N ATOM 1091 CA SER A 71 2.707 -4.473 12.764 1.00 0.00 C ATOM 1092 C SER A 71 1.417 -4.148 12.017 1.00 0.00 C ATOM 1093 O SER A 71 0.987 -2.996 11.968 1.00 0.00 O ATOM 1094 CB SER A 71 2.386 -5.245 14.046 1.00 0.00 C ATOM 1095 OG SER A 71 3.570 -5.698 14.678 1.00 0.00 O ATOM 0 H SER A 71 3.785 -3.205 14.039 1.00 0.00 H new ATOM 0 HA SER A 71 3.332 -5.093 12.121 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.827 -4.605 14.729 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.747 -6.096 13.811 1.00 0.00 H new ATOM 0 HG SER A 71 4.345 -5.467 14.125 1.00 0.00 H new ATOM 1101 N VAL A 72 0.804 -5.174 11.434 1.00 0.00 N ATOM 1102 CA VAL A 72 -0.437 -5.000 10.689 1.00 0.00 C ATOM 1103 C VAL A 72 -1.651 -5.236 11.581 1.00 0.00 C ATOM 1104 O VAL A 72 -2.672 -4.562 11.448 1.00 0.00 O ATOM 1105 CB VAL A 72 -0.507 -5.955 9.483 1.00 0.00 C ATOM 1106 CG1 VAL A 72 -1.310 -5.330 8.353 1.00 0.00 C ATOM 1107 CG2 VAL A 72 0.893 -6.322 9.014 1.00 0.00 C ATOM 0 H VAL A 72 1.147 -6.134 11.464 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.448 -3.971 10.329 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.013 -6.869 9.793 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.349 -6.019 7.510 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.323 -5.122 8.698 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.835 -4.400 8.040 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.826 -6.997 8.161 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.427 -5.418 8.720 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.431 -6.814 9.825 1.00 0.00 H new ATOM 1117 N ASN A 73 -1.532 -6.197 12.491 1.00 0.00 N ATOM 1118 CA ASN A 73 -2.620 -6.522 13.406 1.00 0.00 C ATOM 1119 C ASN A 73 -2.278 -6.099 14.831 1.00 0.00 C ATOM 1120 O ASN A 73 -3.066 -5.425 15.497 1.00 0.00 O ATOM 1121 CB ASN A 73 -2.917 -8.023 13.365 1.00 0.00 C ATOM 1122 CG ASN A 73 -2.163 -8.791 14.433 1.00 0.00 C ATOM 1123 OD1 ASN A 73 -0.957 -9.010 14.321 1.00 0.00 O ATOM 1124 ND2 ASN A 73 -2.872 -9.204 15.477 1.00 0.00 N ATOM 0 H ASN A 73 -0.693 -6.764 12.615 1.00 0.00 H new ATOM 0 HA ASN A 73 -3.506 -5.974 13.086 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -3.988 -8.182 13.494 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.652 -8.416 12.383 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -2.419 -9.725 16.227 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -3.870 -9.000 15.529 1.00 0.00 H new ATOM 1131 N LEU A 74 -1.098 -6.498 15.294 1.00 0.00 N ATOM 1132 CA LEU A 74 -0.650 -6.160 16.640 1.00 0.00 C ATOM 1133 C LEU A 74 -0.794 -4.664 16.902 1.00 0.00 C ATOM 1134 O LEU A 74 -0.951 -4.237 18.046 1.00 0.00 O ATOM 1135 CB LEU A 74 0.806 -6.585 16.836 1.00 0.00 C ATOM 1136 CG LEU A 74 1.133 -8.039 16.494 1.00 0.00 C ATOM 1137 CD1 LEU A 74 2.592 -8.344 16.796 1.00 0.00 C ATOM 1138 CD2 LEU A 74 0.219 -8.985 17.259 1.00 0.00 C ATOM 0 H LEU A 74 -0.434 -7.056 14.757 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.278 -6.697 17.351 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.437 -5.939 16.226 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.078 -6.407 17.876 1.00 0.00 H new ATOM 0 HG LEU A 74 0.966 -8.187 15.427 1.00 0.00 H new ATOM 0 HD11 LEU A 74 2.806 -9.383 16.546 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.231 -7.689 16.203 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.787 -8.178 17.856 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.466 -10.015 17.003 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.354 -8.835 18.330 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.818 -8.784 16.992 1.00 0.00 H new ATOM 1150 N ASP A 75 -0.743 -3.874 15.836 1.00 0.00 N ATOM 1151 CA ASP A 75 -0.871 -2.426 15.950 1.00 0.00 C ATOM 1152 C ASP A 75 -2.134 -1.935 15.249 1.00 0.00 C ATOM 1153 O ASP A 75 -2.768 -2.679 14.501 1.00 0.00 O ATOM 1154 CB ASP A 75 0.358 -1.735 15.357 1.00 0.00 C ATOM 1155 CG ASP A 75 0.660 -0.411 16.031 1.00 0.00 C ATOM 1156 OD1 ASP A 75 -0.246 0.446 16.087 1.00 0.00 O ATOM 1157 OD2 ASP A 75 1.803 -0.232 16.502 1.00 0.00 O ATOM 0 H ASP A 75 -0.614 -4.212 14.882 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.944 -2.175 17.008 1.00 0.00 H new ATOM 0 HB2 ASP A 75 1.222 -2.393 15.452 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.199 -1.569 14.292 1.00 0.00 H new ATOM 1162 N GLN A 76 -2.492 -0.680 15.497 1.00 0.00 N ATOM 1163 CA GLN A 76 -3.681 -0.091 14.890 1.00 0.00 C ATOM 1164 C GLN A 76 -3.305 0.800 13.711 1.00 0.00 C ATOM 1165 O GLN A 76 -2.216 1.374 13.676 1.00 0.00 O ATOM 1166 CB GLN A 76 -4.462 0.717 15.927 1.00 0.00 C ATOM 1167 CG GLN A 76 -5.411 -0.125 16.765 1.00 0.00 C ATOM 1168 CD GLN A 76 -6.058 0.666 17.885 1.00 0.00 C ATOM 1169 OE1 GLN A 76 -7.190 1.132 17.759 1.00 0.00 O ATOM 1170 NE2 GLN A 76 -5.339 0.821 18.991 1.00 0.00 N ATOM 0 H GLN A 76 -1.977 -0.051 16.113 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.311 -0.902 14.523 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -3.757 1.222 16.588 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -5.032 1.493 15.416 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -6.188 -0.539 16.122 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -4.865 -0.968 17.189 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -4.404 0.417 19.052 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -5.722 1.344 19.779 1.00 0.00 H new ATOM 1179 N TRP A 77 -4.212 0.912 12.748 1.00 0.00 N ATOM 1180 CA TRP A 77 -3.975 1.734 11.566 1.00 0.00 C ATOM 1181 C TRP A 77 -5.101 2.744 11.371 1.00 0.00 C ATOM 1182 O TRP A 77 -6.073 2.759 12.127 1.00 0.00 O ATOM 1183 CB TRP A 77 -3.844 0.852 10.324 1.00 0.00 C ATOM 1184 CG TRP A 77 -2.607 0.005 10.325 1.00 0.00 C ATOM 1185 CD1 TRP A 77 -2.175 -0.813 11.330 1.00 0.00 C ATOM 1186 CD2 TRP A 77 -1.642 -0.104 9.273 1.00 0.00 C ATOM 1187 NE1 TRP A 77 -1.000 -1.425 10.965 1.00 0.00 N ATOM 1188 CE2 TRP A 77 -0.652 -1.008 9.708 1.00 0.00 C ATOM 1189 CE3 TRP A 77 -1.519 0.471 8.006 1.00 0.00 C ATOM 1190 CZ2 TRP A 77 0.444 -1.346 8.919 1.00 0.00 C ATOM 1191 CZ3 TRP A 77 -0.430 0.134 7.224 1.00 0.00 C ATOM 1192 CH2 TRP A 77 0.540 -0.768 7.683 1.00 0.00 C ATOM 0 H TRP A 77 -5.118 0.444 12.762 1.00 0.00 H new ATOM 0 HA TRP A 77 -3.044 2.280 11.715 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -4.719 0.205 10.252 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -3.842 1.485 9.436 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -2.682 -0.957 12.273 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -0.472 -2.084 11.538 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -2.262 1.167 7.644 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 1.193 -2.041 9.271 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -0.325 0.573 6.243 1.00 0.00 H new ATOM 0 HH2 TRP A 77 1.379 -1.011 7.048 1.00 0.00 H new ATOM 1203 N THR A 78 -4.965 3.586 10.352 1.00 0.00 N ATOM 1204 CA THR A 78 -5.970 4.600 10.058 1.00 0.00 C ATOM 1205 C THR A 78 -6.253 4.676 8.562 1.00 0.00 C ATOM 1206 O THR A 78 -5.338 4.597 7.743 1.00 0.00 O ATOM 1207 CB THR A 78 -5.531 5.989 10.557 1.00 0.00 C ATOM 1208 OG1 THR A 78 -4.335 6.396 9.883 1.00 0.00 O ATOM 1209 CG2 THR A 78 -5.291 5.973 12.060 1.00 0.00 C ATOM 0 H THR A 78 -4.168 3.586 9.716 1.00 0.00 H new ATOM 0 HA THR A 78 -6.879 4.305 10.583 1.00 0.00 H new ATOM 0 HB THR A 78 -6.330 6.698 10.340 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.063 7.281 10.205 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.982 6.965 12.390 1.00 0.00 H new ATOM 0 HG22 THR A 78 -6.211 5.691 12.572 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.508 5.252 12.296 1.00 0.00 H new ATOM 1217 N ALA A 79 -7.526 4.830 8.212 1.00 0.00 N ATOM 1218 CA ALA A 79 -7.929 4.920 6.814 1.00 0.00 C ATOM 1219 C ALA A 79 -6.890 5.673 5.991 1.00 0.00 C ATOM 1220 O ALA A 79 -6.539 5.257 4.888 1.00 0.00 O ATOM 1221 CB ALA A 79 -9.287 5.595 6.699 1.00 0.00 C ATOM 0 H ALA A 79 -8.296 4.895 8.878 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.004 3.908 6.417 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.576 5.656 5.650 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.029 5.014 7.247 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.231 6.600 7.118 1.00 0.00 H new ATOM 1227 N GLU A 80 -6.402 6.784 6.535 1.00 0.00 N ATOM 1228 CA GLU A 80 -5.404 7.595 5.849 1.00 0.00 C ATOM 1229 C GLU A 80 -4.275 6.724 5.305 1.00 0.00 C ATOM 1230 O GLU A 80 -4.050 6.667 4.096 1.00 0.00 O ATOM 1231 CB GLU A 80 -4.835 8.653 6.797 1.00 0.00 C ATOM 1232 CG GLU A 80 -5.624 9.951 6.804 1.00 0.00 C ATOM 1233 CD GLU A 80 -7.123 9.723 6.846 1.00 0.00 C ATOM 1234 OE1 GLU A 80 -7.695 9.346 5.803 1.00 0.00 O ATOM 1235 OE2 GLU A 80 -7.722 9.920 7.924 1.00 0.00 O ATOM 0 H GLU A 80 -6.682 7.142 7.448 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.892 8.093 5.011 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.810 8.247 7.808 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -3.804 8.866 6.514 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.327 10.548 7.666 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.373 10.529 5.915 1.00 0.00 H new ATOM 1242 N GLN A 81 -3.569 6.050 6.206 1.00 0.00 N ATOM 1243 CA GLN A 81 -2.463 5.183 5.817 1.00 0.00 C ATOM 1244 C GLN A 81 -2.964 3.995 5.002 1.00 0.00 C ATOM 1245 O GLN A 81 -2.349 3.609 4.007 1.00 0.00 O ATOM 1246 CB GLN A 81 -1.715 4.688 7.056 1.00 0.00 C ATOM 1247 CG GLN A 81 -1.346 5.797 8.027 1.00 0.00 C ATOM 1248 CD GLN A 81 -0.921 5.268 9.383 1.00 0.00 C ATOM 1249 OE1 GLN A 81 -1.229 4.132 9.743 1.00 0.00 O ATOM 1250 NE2 GLN A 81 -0.210 6.092 10.144 1.00 0.00 N ATOM 0 H GLN A 81 -3.743 6.087 7.210 1.00 0.00 H new ATOM 0 HA GLN A 81 -1.780 5.763 5.197 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.332 3.954 7.574 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -0.806 4.175 6.741 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -0.537 6.391 7.603 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -2.199 6.464 8.152 1.00 0.00 H new ATOM 0 HE21 GLN A 81 0.023 7.026 9.806 1.00 0.00 H new ATOM 0 HE22 GLN A 81 0.103 5.791 11.067 1.00 0.00 H new ATOM 1259 N ILE A 82 -4.081 3.418 5.431 1.00 0.00 N ATOM 1260 CA ILE A 82 -4.664 2.274 4.740 1.00 0.00 C ATOM 1261 C ILE A 82 -4.746 2.523 3.238 1.00 0.00 C ATOM 1262 O ILE A 82 -4.167 1.781 2.445 1.00 0.00 O ATOM 1263 CB ILE A 82 -6.072 1.952 5.274 1.00 0.00 C ATOM 1264 CG1 ILE A 82 -5.998 1.501 6.734 1.00 0.00 C ATOM 1265 CG2 ILE A 82 -6.732 0.883 4.416 1.00 0.00 C ATOM 1266 CD1 ILE A 82 -5.240 0.206 6.928 1.00 0.00 C ATOM 0 H ILE A 82 -4.601 3.724 6.254 1.00 0.00 H new ATOM 0 HA ILE A 82 -4.010 1.423 4.929 1.00 0.00 H new ATOM 0 HB ILE A 82 -6.679 2.856 5.224 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -5.521 2.284 7.324 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.010 1.382 7.121 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -7.726 0.666 4.806 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -6.815 1.240 3.389 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -6.128 -0.024 4.437 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -5.227 -0.053 7.987 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -5.729 -0.589 6.365 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -4.217 0.326 6.572 1.00 0.00 H new ATOM 1278 N GLN A 83 -5.467 3.571 2.856 1.00 0.00 N ATOM 1279 CA GLN A 83 -5.624 3.918 1.448 1.00 0.00 C ATOM 1280 C GLN A 83 -4.279 3.893 0.729 1.00 0.00 C ATOM 1281 O GLN A 83 -4.212 3.629 -0.473 1.00 0.00 O ATOM 1282 CB GLN A 83 -6.264 5.300 1.309 1.00 0.00 C ATOM 1283 CG GLN A 83 -6.587 5.680 -0.127 1.00 0.00 C ATOM 1284 CD GLN A 83 -7.860 5.028 -0.630 1.00 0.00 C ATOM 1285 OE1 GLN A 83 -7.870 4.392 -1.684 1.00 0.00 O ATOM 1286 NE2 GLN A 83 -8.943 5.183 0.123 1.00 0.00 N ATOM 0 H GLN A 83 -5.952 4.195 3.501 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.276 3.176 0.987 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -7.181 5.327 1.898 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -5.591 6.047 1.731 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -6.685 6.763 -0.199 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -5.756 5.391 -0.771 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -8.889 5.718 0.990 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -9.828 4.767 -0.165 1.00 0.00 H new ATOM 1295 N CYS A 84 -3.212 4.168 1.470 1.00 0.00 N ATOM 1296 CA CYS A 84 -1.868 4.178 0.902 1.00 0.00 C ATOM 1297 C CYS A 84 -1.441 2.773 0.492 1.00 0.00 C ATOM 1298 O CYS A 84 -0.895 2.571 -0.592 1.00 0.00 O ATOM 1299 CB CYS A 84 -0.871 4.754 1.908 1.00 0.00 C ATOM 1300 SG CYS A 84 0.637 5.412 1.159 1.00 0.00 S ATOM 0 H CYS A 84 -3.251 4.387 2.465 1.00 0.00 H new ATOM 0 HA CYS A 84 -1.881 4.808 0.013 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -1.359 5.548 2.473 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -0.600 3.975 2.621 1.00 0.00 H new ATOM 0 HG CYS A 84 1.416 5.878 2.090 1.00 0.00 H new ATOM 1306 N MET A 85 -1.691 1.805 1.368 1.00 0.00 N ATOM 1307 CA MET A 85 -1.331 0.418 1.096 1.00 0.00 C ATOM 1308 C MET A 85 -1.887 -0.035 -0.250 1.00 0.00 C ATOM 1309 O MET A 85 -1.174 -0.632 -1.056 1.00 0.00 O ATOM 1310 CB MET A 85 -1.853 -0.494 2.209 1.00 0.00 C ATOM 1311 CG MET A 85 -1.213 -0.229 3.562 1.00 0.00 C ATOM 1312 SD MET A 85 0.588 -0.310 3.506 1.00 0.00 S ATOM 1313 CE MET A 85 0.835 -2.011 3.001 1.00 0.00 C ATOM 0 H MET A 85 -2.141 1.955 2.271 1.00 0.00 H new ATOM 0 HA MET A 85 -0.244 0.352 1.061 1.00 0.00 H new ATOM 0 HB2 MET A 85 -2.932 -0.367 2.296 1.00 0.00 H new ATOM 0 HB3 MET A 85 -1.676 -1.533 1.930 1.00 0.00 H new ATOM 0 HG2 MET A 85 -1.518 0.755 3.917 1.00 0.00 H new ATOM 0 HG3 MET A 85 -1.583 -0.957 4.284 1.00 0.00 H new ATOM 0 HE1 MET A 85 1.893 -2.263 3.076 1.00 0.00 H new ATOM 0 HE2 MET A 85 0.258 -2.670 3.650 1.00 0.00 H new ATOM 0 HE3 MET A 85 0.504 -2.136 1.970 1.00 0.00 H new ATOM 1323 N GLN A 86 -3.163 0.254 -0.486 1.00 0.00 N ATOM 1324 CA GLN A 86 -3.813 -0.125 -1.735 1.00 0.00 C ATOM 1325 C GLN A 86 -3.276 0.699 -2.900 1.00 0.00 C ATOM 1326 O GLN A 86 -2.951 0.159 -3.958 1.00 0.00 O ATOM 1327 CB GLN A 86 -5.328 0.056 -1.621 1.00 0.00 C ATOM 1328 CG GLN A 86 -6.025 -1.086 -0.900 1.00 0.00 C ATOM 1329 CD GLN A 86 -5.537 -1.261 0.525 1.00 0.00 C ATOM 1330 OE1 GLN A 86 -5.235 -2.373 0.958 1.00 0.00 O ATOM 1331 NE2 GLN A 86 -5.458 -0.159 1.263 1.00 0.00 N ATOM 0 H GLN A 86 -3.766 0.749 0.171 1.00 0.00 H new ATOM 0 HA GLN A 86 -3.593 -1.175 -1.926 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -5.536 0.987 -1.094 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -5.750 0.154 -2.621 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -7.100 -0.904 -0.892 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -5.863 -2.012 -1.452 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -5.719 0.742 0.863 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.137 -0.214 2.229 1.00 0.00 H new ATOM 1340 N ASP A 87 -3.186 2.009 -2.699 1.00 0.00 N ATOM 1341 CA ASP A 87 -2.687 2.909 -3.733 1.00 0.00 C ATOM 1342 C ASP A 87 -1.289 2.497 -4.184 1.00 0.00 C ATOM 1343 O ASP A 87 -1.074 2.170 -5.350 1.00 0.00 O ATOM 1344 CB ASP A 87 -2.668 4.349 -3.220 1.00 0.00 C ATOM 1345 CG ASP A 87 -3.966 5.081 -3.498 1.00 0.00 C ATOM 1346 OD1 ASP A 87 -4.997 4.709 -2.901 1.00 0.00 O ATOM 1347 OD2 ASP A 87 -3.950 6.027 -4.314 1.00 0.00 O ATOM 0 H ASP A 87 -3.452 2.472 -1.830 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.358 2.846 -4.590 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -2.479 4.346 -2.147 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -1.844 4.887 -3.688 1.00 0.00 H new ATOM 1352 N MET A 88 -0.343 2.516 -3.251 1.00 0.00 N ATOM 1353 CA MET A 88 1.035 2.145 -3.553 1.00 0.00 C ATOM 1354 C MET A 88 1.163 0.636 -3.734 1.00 0.00 C ATOM 1355 O MET A 88 1.344 0.148 -4.849 1.00 0.00 O ATOM 1356 CB MET A 88 1.969 2.618 -2.437 1.00 0.00 C ATOM 1357 CG MET A 88 3.441 2.398 -2.744 1.00 0.00 C ATOM 1358 SD MET A 88 4.183 3.787 -3.622 1.00 0.00 S ATOM 1359 CE MET A 88 5.036 2.935 -4.947 1.00 0.00 C ATOM 0 H MET A 88 -0.505 2.784 -2.280 1.00 0.00 H new ATOM 0 HA MET A 88 1.321 2.631 -4.486 1.00 0.00 H new ATOM 0 HB2 MET A 88 1.798 3.679 -2.257 1.00 0.00 H new ATOM 0 HB3 MET A 88 1.716 2.094 -1.516 1.00 0.00 H new ATOM 0 HG2 MET A 88 3.982 2.232 -1.812 1.00 0.00 H new ATOM 0 HG3 MET A 88 3.552 1.494 -3.343 1.00 0.00 H new ATOM 0 HE1 MET A 88 4.988 3.535 -5.856 1.00 0.00 H new ATOM 0 HE2 MET A 88 6.078 2.781 -4.669 1.00 0.00 H new ATOM 0 HE3 MET A 88 4.561 1.970 -5.124 1.00 0.00 H new ATOM 1369 N GLY A 89 1.069 -0.099 -2.630 1.00 0.00 N ATOM 1370 CA GLY A 89 1.178 -1.545 -2.690 1.00 0.00 C ATOM 1371 C GLY A 89 2.514 -2.004 -3.239 1.00 0.00 C ATOM 1372 O GLY A 89 3.254 -1.216 -3.827 1.00 0.00 O ATOM 0 H GLY A 89 0.919 0.281 -1.695 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.038 -1.958 -1.691 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.377 -1.941 -3.314 1.00 0.00 H new ATOM 1376 N ASN A 90 2.825 -3.281 -3.046 1.00 0.00 N ATOM 1377 CA ASN A 90 4.083 -3.843 -3.525 1.00 0.00 C ATOM 1378 C ASN A 90 4.194 -3.713 -5.041 1.00 0.00 C ATOM 1379 O ASN A 90 5.275 -3.460 -5.576 1.00 0.00 O ATOM 1380 CB ASN A 90 4.196 -5.314 -3.119 1.00 0.00 C ATOM 1381 CG ASN A 90 4.182 -5.501 -1.614 1.00 0.00 C ATOM 1382 OD1 ASN A 90 3.487 -4.784 -0.894 1.00 0.00 O ATOM 1383 ND2 ASN A 90 4.953 -6.469 -1.131 1.00 0.00 N ATOM 0 H ASN A 90 2.223 -3.947 -2.561 1.00 0.00 H new ATOM 0 HA ASN A 90 4.899 -3.283 -3.069 1.00 0.00 H new ATOM 0 HB2 ASN A 90 3.371 -5.874 -3.560 1.00 0.00 H new ATOM 0 HB3 ASN A 90 5.118 -5.731 -3.526 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.985 -6.642 -0.126 1.00 0.00 H new ATOM 0 HD22 ASN A 90 5.513 -7.039 -1.765 1.00 0.00 H new ATOM 1390 N THR A 91 3.070 -3.886 -5.729 1.00 0.00 N ATOM 1391 CA THR A 91 3.041 -3.788 -7.183 1.00 0.00 C ATOM 1392 C THR A 91 3.863 -2.601 -7.670 1.00 0.00 C ATOM 1393 O THR A 91 4.937 -2.770 -8.247 1.00 0.00 O ATOM 1394 CB THR A 91 1.600 -3.651 -7.708 1.00 0.00 C ATOM 1395 OG1 THR A 91 0.782 -4.700 -7.176 1.00 0.00 O ATOM 1396 CG2 THR A 91 1.571 -3.700 -9.228 1.00 0.00 C ATOM 0 H THR A 91 2.167 -4.095 -5.302 1.00 0.00 H new ATOM 0 HA THR A 91 3.474 -4.710 -7.571 1.00 0.00 H new ATOM 0 HB THR A 91 1.209 -2.687 -7.384 1.00 0.00 H new ATOM 0 HG1 THR A 91 -0.133 -4.604 -7.514 1.00 0.00 H new ATOM 0 HG21 THR A 91 0.543 -3.601 -9.576 1.00 0.00 H new ATOM 0 HG22 THR A 91 2.170 -2.883 -9.630 1.00 0.00 H new ATOM 0 HG23 THR A 91 1.980 -4.651 -9.569 1.00 0.00 H new ATOM 1404 N LYS A 92 3.352 -1.397 -7.435 1.00 0.00 N ATOM 1405 CA LYS A 92 4.039 -0.179 -7.848 1.00 0.00 C ATOM 1406 C LYS A 92 5.434 -0.107 -7.236 1.00 0.00 C ATOM 1407 O LYS A 92 6.412 0.175 -7.929 1.00 0.00 O ATOM 1408 CB LYS A 92 3.227 1.052 -7.440 1.00 0.00 C ATOM 1409 CG LYS A 92 2.011 1.296 -8.316 1.00 0.00 C ATOM 1410 CD LYS A 92 0.876 0.347 -7.971 1.00 0.00 C ATOM 1411 CE LYS A 92 -0.378 0.662 -8.773 1.00 0.00 C ATOM 1412 NZ LYS A 92 -0.320 0.081 -10.144 1.00 0.00 N ATOM 0 H LYS A 92 2.463 -1.239 -6.960 1.00 0.00 H new ATOM 0 HA LYS A 92 4.138 -0.198 -8.933 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.902 0.936 -6.406 1.00 0.00 H new ATOM 0 HB3 LYS A 92 3.872 1.930 -7.475 1.00 0.00 H new ATOM 0 HG2 LYS A 92 1.675 2.326 -8.195 1.00 0.00 H new ATOM 0 HG3 LYS A 92 2.285 1.171 -9.364 1.00 0.00 H new ATOM 0 HD2 LYS A 92 1.186 -0.679 -8.167 1.00 0.00 H new ATOM 0 HD3 LYS A 92 0.655 0.415 -6.906 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -1.251 0.272 -8.250 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -0.504 1.743 -8.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -1.192 0.318 -10.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 0.499 0.472 -10.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -0.226 -0.953 -10.079 1.00 0.00 H new ATOM 1426 N ALA A 93 5.519 -0.366 -5.935 1.00 0.00 N ATOM 1427 CA ALA A 93 6.795 -0.334 -5.232 1.00 0.00 C ATOM 1428 C ALA A 93 7.909 -0.928 -6.087 1.00 0.00 C ATOM 1429 O ALA A 93 9.023 -0.405 -6.123 1.00 0.00 O ATOM 1430 CB ALA A 93 6.688 -1.079 -3.910 1.00 0.00 C ATOM 0 H ALA A 93 4.719 -0.600 -5.347 1.00 0.00 H new ATOM 0 HA ALA A 93 7.044 0.708 -5.031 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.648 -1.047 -3.396 1.00 0.00 H new ATOM 0 HB2 ALA A 93 5.927 -0.608 -3.288 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.412 -2.116 -4.098 1.00 0.00 H new ATOM 1436 N ARG A 94 7.601 -2.023 -6.774 1.00 0.00 N ATOM 1437 CA ARG A 94 8.577 -2.689 -7.628 1.00 0.00 C ATOM 1438 C ARG A 94 8.841 -1.874 -8.891 1.00 0.00 C ATOM 1439 O ARG A 94 9.986 -1.723 -9.318 1.00 0.00 O ATOM 1440 CB ARG A 94 8.087 -4.088 -8.004 1.00 0.00 C ATOM 1441 CG ARG A 94 8.928 -4.760 -9.077 1.00 0.00 C ATOM 1442 CD ARG A 94 8.118 -5.780 -9.863 1.00 0.00 C ATOM 1443 NE ARG A 94 8.134 -7.096 -9.230 1.00 0.00 N ATOM 1444 CZ ARG A 94 9.234 -7.825 -9.079 1.00 0.00 C ATOM 1445 NH1 ARG A 94 10.401 -7.369 -9.512 1.00 0.00 N ATOM 1446 NH2 ARG A 94 9.168 -9.014 -8.493 1.00 0.00 N ATOM 0 H ARG A 94 6.683 -2.468 -6.756 1.00 0.00 H new ATOM 0 HA ARG A 94 9.510 -2.776 -7.071 1.00 0.00 H new ATOM 0 HB2 ARG A 94 8.083 -4.714 -7.112 1.00 0.00 H new ATOM 0 HB3 ARG A 94 7.056 -4.022 -8.351 1.00 0.00 H new ATOM 0 HG2 ARG A 94 9.323 -4.005 -9.757 1.00 0.00 H new ATOM 0 HG3 ARG A 94 9.784 -5.252 -8.615 1.00 0.00 H new ATOM 0 HD2 ARG A 94 7.088 -5.434 -9.953 1.00 0.00 H new ATOM 0 HD3 ARG A 94 8.518 -5.859 -10.874 1.00 0.00 H new ATOM 0 HE ARG A 94 7.252 -7.476 -8.885 1.00 0.00 H new ATOM 0 HH11 ARG A 94 10.456 -6.456 -9.963 1.00 0.00 H new ATOM 0 HH12 ARG A 94 11.244 -7.931 -9.394 1.00 0.00 H new ATOM 0 HH21 ARG A 94 8.272 -9.369 -8.158 1.00 0.00 H new ATOM 0 HH22 ARG A 94 10.013 -9.573 -8.377 1.00 0.00 H new ATOM 1460 N LEU A 95 7.773 -1.351 -9.484 1.00 0.00 N ATOM 1461 CA LEU A 95 7.888 -0.551 -10.699 1.00 0.00 C ATOM 1462 C LEU A 95 8.504 0.812 -10.398 1.00 0.00 C ATOM 1463 O LEU A 95 8.821 1.577 -11.309 1.00 0.00 O ATOM 1464 CB LEU A 95 6.514 -0.371 -11.346 1.00 0.00 C ATOM 1465 CG LEU A 95 5.714 -1.651 -11.589 1.00 0.00 C ATOM 1466 CD1 LEU A 95 4.276 -1.319 -11.957 1.00 0.00 C ATOM 1467 CD2 LEU A 95 6.365 -2.489 -12.680 1.00 0.00 C ATOM 0 H LEU A 95 6.818 -1.466 -9.144 1.00 0.00 H new ATOM 0 HA LEU A 95 8.543 -1.079 -11.392 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.921 0.290 -10.714 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.648 0.137 -12.301 1.00 0.00 H new ATOM 0 HG LEU A 95 5.708 -2.233 -10.667 1.00 0.00 H new ATOM 0 HD11 LEU A 95 3.721 -2.242 -12.126 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.812 -0.761 -11.144 1.00 0.00 H new ATOM 0 HD13 LEU A 95 4.263 -0.716 -12.865 1.00 0.00 H new ATOM 0 HD21 LEU A 95 5.782 -3.396 -12.839 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.403 -1.915 -13.606 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.377 -2.757 -12.378 1.00 0.00 H new ATOM 1479 N LEU A 96 8.672 1.108 -9.114 1.00 0.00 N ATOM 1480 CA LEU A 96 9.252 2.378 -8.691 1.00 0.00 C ATOM 1481 C LEU A 96 10.642 2.171 -8.097 1.00 0.00 C ATOM 1482 O LEU A 96 11.641 2.625 -8.655 1.00 0.00 O ATOM 1483 CB LEU A 96 8.344 3.061 -7.668 1.00 0.00 C ATOM 1484 CG LEU A 96 8.605 4.548 -7.424 1.00 0.00 C ATOM 1485 CD1 LEU A 96 10.051 4.775 -7.012 1.00 0.00 C ATOM 1486 CD2 LEU A 96 8.269 5.359 -8.668 1.00 0.00 C ATOM 0 H LEU A 96 8.415 0.486 -8.348 1.00 0.00 H new ATOM 0 HA LEU A 96 9.344 3.017 -9.569 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.311 2.943 -7.994 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.441 2.535 -6.718 1.00 0.00 H new ATOM 0 HG LEU A 96 7.960 4.882 -6.611 1.00 0.00 H new ATOM 0 HD11 LEU A 96 10.218 5.839 -6.843 1.00 0.00 H new ATOM 0 HD12 LEU A 96 10.259 4.224 -6.095 1.00 0.00 H new ATOM 0 HD13 LEU A 96 10.714 4.425 -7.803 1.00 0.00 H new ATOM 0 HD21 LEU A 96 8.461 6.415 -8.477 1.00 0.00 H new ATOM 0 HD22 LEU A 96 8.888 5.023 -9.500 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.217 5.221 -8.919 1.00 0.00 H new ATOM 1498 N TYR A 97 10.697 1.481 -6.963 1.00 0.00 N ATOM 1499 CA TYR A 97 11.964 1.214 -6.293 1.00 0.00 C ATOM 1500 C TYR A 97 12.800 0.215 -7.086 1.00 0.00 C ATOM 1501 O TYR A 97 13.981 0.445 -7.345 1.00 0.00 O ATOM 1502 CB TYR A 97 11.715 0.680 -4.881 1.00 0.00 C ATOM 1503 CG TYR A 97 11.157 1.716 -3.932 1.00 0.00 C ATOM 1504 CD1 TYR A 97 11.991 2.631 -3.301 1.00 0.00 C ATOM 1505 CD2 TYR A 97 9.794 1.780 -3.666 1.00 0.00 C ATOM 1506 CE1 TYR A 97 11.484 3.578 -2.433 1.00 0.00 C ATOM 1507 CE2 TYR A 97 9.279 2.725 -2.800 1.00 0.00 C ATOM 1508 CZ TYR A 97 10.128 3.622 -2.186 1.00 0.00 C ATOM 1509 OH TYR A 97 9.620 4.565 -1.322 1.00 0.00 O ATOM 0 H TYR A 97 9.880 1.097 -6.489 1.00 0.00 H new ATOM 0 HA TYR A 97 12.516 2.151 -6.228 1.00 0.00 H new ATOM 0 HB2 TYR A 97 11.023 -0.160 -4.936 1.00 0.00 H new ATOM 0 HB3 TYR A 97 12.651 0.296 -4.476 1.00 0.00 H new ATOM 0 HD1 TYR A 97 13.053 2.601 -3.493 1.00 0.00 H new ATOM 0 HD2 TYR A 97 9.126 1.079 -4.145 1.00 0.00 H new ATOM 0 HE1 TYR A 97 12.146 4.281 -1.950 1.00 0.00 H new ATOM 0 HE2 TYR A 97 8.217 2.761 -2.605 1.00 0.00 H new ATOM 0 HH TYR A 97 9.726 4.254 -0.399 1.00 0.00 H new ATOM 1519 N GLU A 98 12.178 -0.896 -7.470 1.00 0.00 N ATOM 1520 CA GLU A 98 12.864 -1.931 -8.234 1.00 0.00 C ATOM 1521 C GLU A 98 12.835 -1.614 -9.726 1.00 0.00 C ATOM 1522 O GLU A 98 12.745 -2.514 -10.561 1.00 0.00 O ATOM 1523 CB GLU A 98 12.221 -3.295 -7.978 1.00 0.00 C ATOM 1524 CG GLU A 98 12.374 -3.781 -6.546 1.00 0.00 C ATOM 1525 CD GLU A 98 11.484 -4.969 -6.235 1.00 0.00 C ATOM 1526 OE1 GLU A 98 11.777 -6.077 -6.731 1.00 0.00 O ATOM 1527 OE2 GLU A 98 10.493 -4.789 -5.496 1.00 0.00 O ATOM 0 H GLU A 98 11.200 -1.102 -7.264 1.00 0.00 H new ATOM 0 HA GLU A 98 13.903 -1.961 -7.907 1.00 0.00 H new ATOM 0 HB2 GLU A 98 11.160 -3.239 -8.222 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.665 -4.029 -8.651 1.00 0.00 H new ATOM 0 HG2 GLU A 98 13.414 -4.055 -6.368 1.00 0.00 H new ATOM 0 HG3 GLU A 98 12.137 -2.966 -5.862 1.00 0.00 H new ATOM 1534 N ALA A 99 12.912 -0.329 -10.054 1.00 0.00 N ATOM 1535 CA ALA A 99 12.896 0.107 -11.445 1.00 0.00 C ATOM 1536 C ALA A 99 14.296 0.485 -11.918 1.00 0.00 C ATOM 1537 O ALA A 99 14.646 0.277 -13.079 1.00 0.00 O ATOM 1538 CB ALA A 99 11.943 1.280 -11.620 1.00 0.00 C ATOM 0 H ALA A 99 12.986 0.429 -9.375 1.00 0.00 H new ATOM 0 HA ALA A 99 12.546 -0.725 -12.056 1.00 0.00 H new ATOM 0 HB1 ALA A 99 11.941 1.595 -12.664 1.00 0.00 H new ATOM 0 HB2 ALA A 99 10.937 0.977 -11.331 1.00 0.00 H new ATOM 0 HB3 ALA A 99 12.267 2.109 -10.991 1.00 0.00 H new ATOM 1544 N ASN A 100 15.091 1.042 -11.011 1.00 0.00 N ATOM 1545 CA ASN A 100 16.453 1.450 -11.337 1.00 0.00 C ATOM 1546 C ASN A 100 17.453 0.362 -10.957 1.00 0.00 C ATOM 1547 O ASN A 100 18.645 0.627 -10.794 1.00 0.00 O ATOM 1548 CB ASN A 100 16.803 2.753 -10.616 1.00 0.00 C ATOM 1549 CG ASN A 100 16.287 3.976 -11.350 1.00 0.00 C ATOM 1550 OD1 ASN A 100 16.593 4.183 -12.525 1.00 0.00 O ATOM 1551 ND2 ASN A 100 15.501 4.793 -10.659 1.00 0.00 N ATOM 0 H ASN A 100 14.816 1.221 -10.045 1.00 0.00 H new ATOM 0 HA ASN A 100 16.510 1.611 -12.414 1.00 0.00 H new ATOM 0 HB2 ASN A 100 16.384 2.732 -9.610 1.00 0.00 H new ATOM 0 HB3 ASN A 100 17.885 2.827 -10.509 1.00 0.00 H new ATOM 0 HD21 ASN A 100 15.124 5.632 -11.100 1.00 0.00 H new ATOM 0 HD22 ASN A 100 15.274 4.582 -9.687 1.00 0.00 H new ATOM 1558 N LEU A 101 16.960 -0.864 -10.817 1.00 0.00 N ATOM 1559 CA LEU A 101 17.809 -1.994 -10.457 1.00 0.00 C ATOM 1560 C LEU A 101 18.595 -2.492 -11.666 1.00 0.00 C ATOM 1561 O LEU A 101 18.190 -2.317 -12.815 1.00 0.00 O ATOM 1562 CB LEU A 101 16.963 -3.131 -9.881 1.00 0.00 C ATOM 1563 CG LEU A 101 16.601 -3.014 -8.400 1.00 0.00 C ATOM 1564 CD1 LEU A 101 15.638 -4.120 -7.997 1.00 0.00 C ATOM 1565 CD2 LEU A 101 17.855 -3.056 -7.539 1.00 0.00 C ATOM 0 H LEU A 101 15.976 -1.101 -10.947 1.00 0.00 H new ATOM 0 HA LEU A 101 18.517 -1.657 -9.700 1.00 0.00 H new ATOM 0 HB2 LEU A 101 16.039 -3.197 -10.456 1.00 0.00 H new ATOM 0 HB3 LEU A 101 17.499 -4.068 -10.030 1.00 0.00 H new ATOM 0 HG LEU A 101 16.108 -2.055 -8.241 1.00 0.00 H new ATOM 0 HD11 LEU A 101 15.392 -4.021 -6.940 1.00 0.00 H new ATOM 0 HD12 LEU A 101 14.727 -4.043 -8.591 1.00 0.00 H new ATOM 0 HD13 LEU A 101 16.104 -5.090 -8.171 1.00 0.00 H new ATOM 0 HD21 LEU A 101 17.578 -2.971 -6.488 1.00 0.00 H new ATOM 0 HD22 LEU A 101 18.377 -3.999 -7.702 1.00 0.00 H new ATOM 0 HD23 LEU A 101 18.510 -2.228 -7.809 1.00 0.00 H new ATOM 1664 N ARG A 107 18.207 -10.423 -5.449 1.00 0.00 N ATOM 1665 CA ARG A 107 17.880 -10.216 -4.043 1.00 0.00 C ATOM 1666 C ARG A 107 19.011 -10.706 -3.144 1.00 0.00 C ATOM 1667 O ARG A 107 19.483 -11.837 -3.259 1.00 0.00 O ATOM 1668 CB ARG A 107 16.581 -10.941 -3.688 1.00 0.00 C ATOM 1669 CG ARG A 107 15.338 -10.085 -3.865 1.00 0.00 C ATOM 1670 CD ARG A 107 14.118 -10.737 -3.233 1.00 0.00 C ATOM 1671 NE ARG A 107 12.892 -9.994 -3.514 1.00 0.00 N ATOM 1672 CZ ARG A 107 12.207 -10.108 -4.645 1.00 0.00 C ATOM 1673 NH1 ARG A 107 12.624 -10.932 -5.597 1.00 0.00 N ATOM 1674 NH2 ARG A 107 11.100 -9.398 -4.827 1.00 0.00 N ATOM 0 HA ARG A 107 17.747 -9.146 -3.880 1.00 0.00 H new ATOM 0 HB2 ARG A 107 16.490 -11.831 -4.310 1.00 0.00 H new ATOM 0 HB3 ARG A 107 16.635 -11.279 -2.653 1.00 0.00 H new ATOM 0 HG2 ARG A 107 15.502 -9.106 -3.416 1.00 0.00 H new ATOM 0 HG3 ARG A 107 15.155 -9.922 -4.927 1.00 0.00 H new ATOM 0 HD2 ARG A 107 14.018 -11.756 -3.606 1.00 0.00 H new ATOM 0 HD3 ARG A 107 14.261 -10.805 -2.155 1.00 0.00 H new ATOM 0 HE ARG A 107 12.543 -9.352 -2.802 1.00 0.00 H new ATOM 0 HH11 ARG A 107 13.473 -11.480 -5.461 1.00 0.00 H new ATOM 0 HH12 ARG A 107 12.095 -11.017 -6.465 1.00 0.00 H new ATOM 0 HH21 ARG A 107 10.775 -8.764 -4.097 1.00 0.00 H new ATOM 0 HH22 ARG A 107 10.575 -9.487 -5.697 1.00 0.00 H new ATOM 1688 N PRO A 108 19.458 -9.835 -2.227 1.00 0.00 N ATOM 1689 CA PRO A 108 20.539 -10.157 -1.290 1.00 0.00 C ATOM 1690 C PRO A 108 20.116 -11.187 -0.249 1.00 0.00 C ATOM 1691 O PRO A 108 19.347 -10.882 0.663 1.00 0.00 O ATOM 1692 CB PRO A 108 20.840 -8.813 -0.621 1.00 0.00 C ATOM 1693 CG PRO A 108 19.572 -8.039 -0.737 1.00 0.00 C ATOM 1694 CD PRO A 108 18.942 -8.470 -2.033 1.00 0.00 C ATOM 0 HA PRO A 108 21.398 -10.600 -1.795 1.00 0.00 H new ATOM 0 HB2 PRO A 108 21.129 -8.946 0.422 1.00 0.00 H new ATOM 0 HB3 PRO A 108 21.664 -8.300 -1.117 1.00 0.00 H new ATOM 0 HG2 PRO A 108 18.911 -8.244 0.105 1.00 0.00 H new ATOM 0 HG3 PRO A 108 19.768 -6.967 -0.736 1.00 0.00 H new ATOM 0 HD2 PRO A 108 17.854 -8.457 -1.975 1.00 0.00 H new ATOM 0 HD3 PRO A 108 19.225 -7.813 -2.855 1.00 0.00 H new ATOM 1702 N GLN A 109 20.623 -12.407 -0.390 1.00 0.00 N ATOM 1703 CA GLN A 109 20.296 -13.483 0.539 1.00 0.00 C ATOM 1704 C GLN A 109 21.031 -13.299 1.863 1.00 0.00 C ATOM 1705 O GLN A 109 20.612 -13.824 2.896 1.00 0.00 O ATOM 1706 CB GLN A 109 20.652 -14.839 -0.072 1.00 0.00 C ATOM 1707 CG GLN A 109 19.733 -15.966 0.370 1.00 0.00 C ATOM 1708 CD GLN A 109 19.142 -15.730 1.747 1.00 0.00 C ATOM 1709 OE1 GLN A 109 19.682 -16.190 2.753 1.00 0.00 O ATOM 1710 NE2 GLN A 109 18.027 -15.011 1.797 1.00 0.00 N ATOM 0 H GLN A 109 21.262 -12.676 -1.138 1.00 0.00 H new ATOM 0 HA GLN A 109 19.224 -13.451 0.731 1.00 0.00 H new ATOM 0 HB2 GLN A 109 20.618 -14.759 -1.159 1.00 0.00 H new ATOM 0 HB3 GLN A 109 21.678 -15.091 0.197 1.00 0.00 H new ATOM 0 HG2 GLN A 109 18.926 -16.077 -0.354 1.00 0.00 H new ATOM 0 HG3 GLN A 109 20.289 -16.903 0.373 1.00 0.00 H new ATOM 0 HE21 GLN A 109 17.614 -14.650 0.937 1.00 0.00 H new ATOM 0 HE22 GLN A 109 17.583 -14.820 2.695 1.00 0.00 H new ATOM 1719 N THR A 110 22.129 -12.551 1.826 1.00 0.00 N ATOM 1720 CA THR A 110 22.923 -12.300 3.022 1.00 0.00 C ATOM 1721 C THR A 110 22.353 -11.138 3.827 1.00 0.00 C ATOM 1722 O THR A 110 22.158 -10.042 3.300 1.00 0.00 O ATOM 1723 CB THR A 110 24.391 -11.993 2.668 1.00 0.00 C ATOM 1724 OG1 THR A 110 24.453 -10.916 1.727 1.00 0.00 O ATOM 1725 CG2 THR A 110 25.075 -13.221 2.087 1.00 0.00 C ATOM 0 H THR A 110 22.489 -12.108 0.980 1.00 0.00 H new ATOM 0 HA THR A 110 22.884 -13.208 3.623 1.00 0.00 H new ATOM 0 HB THR A 110 24.910 -11.706 3.582 1.00 0.00 H new ATOM 0 HG1 THR A 110 25.389 -10.726 1.509 1.00 0.00 H new ATOM 0 HG21 THR A 110 26.110 -12.980 1.845 1.00 0.00 H new ATOM 0 HG22 THR A 110 25.052 -14.030 2.817 1.00 0.00 H new ATOM 0 HG23 THR A 110 24.554 -13.534 1.182 1.00 0.00 H new ATOM 1733 N ASP A 111 22.087 -11.383 5.105 1.00 0.00 N ATOM 1734 CA ASP A 111 21.540 -10.355 5.983 1.00 0.00 C ATOM 1735 C ASP A 111 22.374 -9.080 5.912 1.00 0.00 C ATOM 1736 O ASP A 111 21.836 -7.983 5.766 1.00 0.00 O ATOM 1737 CB ASP A 111 21.483 -10.863 7.425 1.00 0.00 C ATOM 1738 CG ASP A 111 21.103 -12.328 7.508 1.00 0.00 C ATOM 1739 OD1 ASP A 111 20.403 -12.813 6.594 1.00 0.00 O ATOM 1740 OD2 ASP A 111 21.506 -12.991 8.486 1.00 0.00 O ATOM 0 H ASP A 111 22.241 -12.285 5.556 1.00 0.00 H new ATOM 0 HA ASP A 111 20.529 -10.125 5.647 1.00 0.00 H new ATOM 0 HB2 ASP A 111 22.454 -10.715 7.898 1.00 0.00 H new ATOM 0 HB3 ASP A 111 20.761 -10.271 7.987 1.00 0.00 H new ATOM 1745 N GLN A 112 23.690 -9.233 6.018 1.00 0.00 N ATOM 1746 CA GLN A 112 24.598 -8.093 5.968 1.00 0.00 C ATOM 1747 C GLN A 112 24.308 -7.220 4.751 1.00 0.00 C ATOM 1748 O GLN A 112 24.361 -5.993 4.829 1.00 0.00 O ATOM 1749 CB GLN A 112 26.050 -8.572 5.933 1.00 0.00 C ATOM 1750 CG GLN A 112 27.062 -7.461 6.162 1.00 0.00 C ATOM 1751 CD GLN A 112 27.101 -6.995 7.604 1.00 0.00 C ATOM 1752 OE1 GLN A 112 27.165 -7.806 8.529 1.00 0.00 O ATOM 1753 NE2 GLN A 112 27.063 -5.683 7.804 1.00 0.00 N ATOM 0 H GLN A 112 24.151 -10.135 6.139 1.00 0.00 H new ATOM 0 HA GLN A 112 24.442 -7.496 6.866 1.00 0.00 H new ATOM 0 HB2 GLN A 112 26.189 -9.341 6.693 1.00 0.00 H new ATOM 0 HB3 GLN A 112 26.247 -9.038 4.968 1.00 0.00 H new ATOM 0 HG2 GLN A 112 28.052 -7.811 5.870 1.00 0.00 H new ATOM 0 HG3 GLN A 112 26.820 -6.616 5.518 1.00 0.00 H new ATOM 0 HE21 GLN A 112 27.010 -5.047 7.008 1.00 0.00 H new ATOM 0 HE22 GLN A 112 27.087 -5.311 8.753 1.00 0.00 H new ATOM 1762 N ALA A 113 24.003 -7.861 3.628 1.00 0.00 N ATOM 1763 CA ALA A 113 23.703 -7.143 2.396 1.00 0.00 C ATOM 1764 C ALA A 113 22.299 -6.549 2.433 1.00 0.00 C ATOM 1765 O ALA A 113 22.100 -5.378 2.111 1.00 0.00 O ATOM 1766 CB ALA A 113 23.856 -8.066 1.196 1.00 0.00 C ATOM 0 H ALA A 113 23.957 -8.877 3.546 1.00 0.00 H new ATOM 0 HA ALA A 113 24.414 -6.322 2.302 1.00 0.00 H new ATOM 0 HB1 ALA A 113 23.629 -7.516 0.283 1.00 0.00 H new ATOM 0 HB2 ALA A 113 24.880 -8.437 1.151 1.00 0.00 H new ATOM 0 HB3 ALA A 113 23.169 -8.907 1.294 1.00 0.00 H new ATOM 1772 N VAL A 114 21.327 -7.366 2.828 1.00 0.00 N ATOM 1773 CA VAL A 114 19.941 -6.921 2.909 1.00 0.00 C ATOM 1774 C VAL A 114 19.836 -5.572 3.611 1.00 0.00 C ATOM 1775 O VAL A 114 19.408 -4.584 3.016 1.00 0.00 O ATOM 1776 CB VAL A 114 19.065 -7.945 3.655 1.00 0.00 C ATOM 1777 CG1 VAL A 114 17.621 -7.471 3.715 1.00 0.00 C ATOM 1778 CG2 VAL A 114 19.159 -9.311 2.990 1.00 0.00 C ATOM 0 H VAL A 114 21.474 -8.339 3.097 1.00 0.00 H new ATOM 0 HA VAL A 114 19.581 -6.823 1.885 1.00 0.00 H new ATOM 0 HB VAL A 114 19.434 -8.037 4.676 1.00 0.00 H new ATOM 0 HG11 VAL A 114 17.018 -8.208 4.246 1.00 0.00 H new ATOM 0 HG12 VAL A 114 17.573 -6.517 4.240 1.00 0.00 H new ATOM 0 HG13 VAL A 114 17.236 -7.348 2.703 1.00 0.00 H new ATOM 0 HG21 VAL A 114 18.534 -10.022 3.530 1.00 0.00 H new ATOM 0 HG22 VAL A 114 18.817 -9.238 1.958 1.00 0.00 H new ATOM 0 HG23 VAL A 114 20.194 -9.653 3.005 1.00 0.00 H new ATOM 1788 N GLU A 115 20.230 -5.539 4.880 1.00 0.00 N ATOM 1789 CA GLU A 115 20.180 -4.310 5.663 1.00 0.00 C ATOM 1790 C GLU A 115 20.655 -3.119 4.837 1.00 0.00 C ATOM 1791 O GLU A 115 19.927 -2.141 4.661 1.00 0.00 O ATOM 1792 CB GLU A 115 21.038 -4.446 6.922 1.00 0.00 C ATOM 1793 CG GLU A 115 21.356 -3.118 7.589 1.00 0.00 C ATOM 1794 CD GLU A 115 22.251 -3.274 8.803 1.00 0.00 C ATOM 1795 OE1 GLU A 115 21.794 -3.862 9.805 1.00 0.00 O ATOM 1796 OE2 GLU A 115 23.409 -2.808 8.750 1.00 0.00 O ATOM 0 H GLU A 115 20.587 -6.349 5.387 1.00 0.00 H new ATOM 0 HA GLU A 115 19.144 -4.138 5.955 1.00 0.00 H new ATOM 0 HB2 GLU A 115 20.521 -5.087 7.636 1.00 0.00 H new ATOM 0 HB3 GLU A 115 21.972 -4.946 6.663 1.00 0.00 H new ATOM 0 HG2 GLU A 115 21.840 -2.460 6.867 1.00 0.00 H new ATOM 0 HG3 GLU A 115 20.426 -2.634 7.888 1.00 0.00 H new ATOM 1803 N PHE A 116 21.881 -3.207 4.332 1.00 0.00 N ATOM 1804 CA PHE A 116 22.455 -2.136 3.526 1.00 0.00 C ATOM 1805 C PHE A 116 21.548 -1.799 2.345 1.00 0.00 C ATOM 1806 O PHE A 116 21.132 -0.653 2.176 1.00 0.00 O ATOM 1807 CB PHE A 116 23.842 -2.538 3.020 1.00 0.00 C ATOM 1808 CG PHE A 116 24.903 -2.495 4.082 1.00 0.00 C ATOM 1809 CD1 PHE A 116 25.013 -1.402 4.926 1.00 0.00 C ATOM 1810 CD2 PHE A 116 25.789 -3.549 4.237 1.00 0.00 C ATOM 1811 CE1 PHE A 116 25.989 -1.360 5.904 1.00 0.00 C ATOM 1812 CE2 PHE A 116 26.766 -3.513 5.214 1.00 0.00 C ATOM 1813 CZ PHE A 116 26.866 -2.418 6.049 1.00 0.00 C ATOM 0 H PHE A 116 22.496 -4.009 4.467 1.00 0.00 H new ATOM 0 HA PHE A 116 22.548 -1.251 4.155 1.00 0.00 H new ATOM 0 HB2 PHE A 116 23.792 -3.546 2.608 1.00 0.00 H new ATOM 0 HB3 PHE A 116 24.129 -1.875 2.204 1.00 0.00 H new ATOM 0 HD1 PHE A 116 24.329 -0.573 4.819 1.00 0.00 H new ATOM 0 HD2 PHE A 116 25.715 -4.408 3.587 1.00 0.00 H new ATOM 0 HE1 PHE A 116 26.066 -0.501 6.554 1.00 0.00 H new ATOM 0 HE2 PHE A 116 27.451 -4.341 5.324 1.00 0.00 H new ATOM 0 HZ PHE A 116 27.628 -2.388 6.814 1.00 0.00 H new ATOM 1823 N PHE A 117 21.248 -2.806 1.531 1.00 0.00 N ATOM 1824 CA PHE A 117 20.393 -2.617 0.365 1.00 0.00 C ATOM 1825 C PHE A 117 19.317 -1.571 0.644 1.00 0.00 C ATOM 1826 O PHE A 117 19.246 -0.543 -0.030 1.00 0.00 O ATOM 1827 CB PHE A 117 19.741 -3.942 -0.035 1.00 0.00 C ATOM 1828 CG PHE A 117 18.891 -3.843 -1.270 1.00 0.00 C ATOM 1829 CD1 PHE A 117 19.418 -3.350 -2.452 1.00 0.00 C ATOM 1830 CD2 PHE A 117 17.564 -4.242 -1.247 1.00 0.00 C ATOM 1831 CE1 PHE A 117 18.638 -3.258 -3.589 1.00 0.00 C ATOM 1832 CE2 PHE A 117 16.779 -4.152 -2.381 1.00 0.00 C ATOM 1833 CZ PHE A 117 17.317 -3.660 -3.554 1.00 0.00 C ATOM 0 H PHE A 117 21.584 -3.761 1.657 1.00 0.00 H new ATOM 0 HA PHE A 117 21.014 -2.263 -0.457 1.00 0.00 H new ATOM 0 HB2 PHE A 117 20.520 -4.686 -0.199 1.00 0.00 H new ATOM 0 HB3 PHE A 117 19.127 -4.300 0.791 1.00 0.00 H new ATOM 0 HD1 PHE A 117 20.450 -3.034 -2.486 1.00 0.00 H new ATOM 0 HD2 PHE A 117 17.138 -4.628 -0.332 1.00 0.00 H new ATOM 0 HE1 PHE A 117 19.061 -2.872 -4.505 1.00 0.00 H new ATOM 0 HE2 PHE A 117 15.746 -4.466 -2.350 1.00 0.00 H new ATOM 0 HZ PHE A 117 16.706 -3.590 -4.442 1.00 0.00 H new ATOM 1843 N ILE A 118 18.481 -1.842 1.640 1.00 0.00 N ATOM 1844 CA ILE A 118 17.409 -0.926 2.009 1.00 0.00 C ATOM 1845 C ILE A 118 17.966 0.427 2.439 1.00 0.00 C ATOM 1846 O ILE A 118 17.363 1.469 2.182 1.00 0.00 O ATOM 1847 CB ILE A 118 16.544 -1.499 3.147 1.00 0.00 C ATOM 1848 CG1 ILE A 118 15.972 -2.860 2.747 1.00 0.00 C ATOM 1849 CG2 ILE A 118 15.425 -0.531 3.501 1.00 0.00 C ATOM 1850 CD1 ILE A 118 15.585 -3.723 3.927 1.00 0.00 C ATOM 0 H ILE A 118 18.525 -2.689 2.206 1.00 0.00 H new ATOM 0 HA ILE A 118 16.787 -0.795 1.123 1.00 0.00 H new ATOM 0 HB ILE A 118 17.172 -1.635 4.027 1.00 0.00 H new ATOM 0 HG12 ILE A 118 15.096 -2.706 2.117 1.00 0.00 H new ATOM 0 HG13 ILE A 118 16.708 -3.392 2.144 1.00 0.00 H new ATOM 0 HG21 ILE A 118 14.823 -0.950 4.307 1.00 0.00 H new ATOM 0 HG22 ILE A 118 15.853 0.418 3.824 1.00 0.00 H new ATOM 0 HG23 ILE A 118 14.796 -0.366 2.626 1.00 0.00 H new ATOM 0 HD11 ILE A 118 15.187 -4.672 3.568 1.00 0.00 H new ATOM 0 HD12 ILE A 118 16.463 -3.908 4.546 1.00 0.00 H new ATOM 0 HD13 ILE A 118 14.825 -3.212 4.518 1.00 0.00 H new ATOM 1862 N ARG A 119 19.122 0.403 3.095 1.00 0.00 N ATOM 1863 CA ARG A 119 19.761 1.627 3.561 1.00 0.00 C ATOM 1864 C ARG A 119 20.093 2.547 2.390 1.00 0.00 C ATOM 1865 O ARG A 119 20.267 3.753 2.565 1.00 0.00 O ATOM 1866 CB ARG A 119 21.035 1.298 4.341 1.00 0.00 C ATOM 1867 CG ARG A 119 20.790 0.452 5.580 1.00 0.00 C ATOM 1868 CD ARG A 119 20.679 1.312 6.829 1.00 0.00 C ATOM 1869 NE ARG A 119 21.905 2.063 7.087 1.00 0.00 N ATOM 1870 CZ ARG A 119 22.976 1.542 7.675 1.00 0.00 C ATOM 1871 NH1 ARG A 119 22.972 0.274 8.064 1.00 0.00 N ATOM 1872 NH2 ARG A 119 24.054 2.289 7.875 1.00 0.00 N ATOM 0 H ARG A 119 19.635 -0.451 3.315 1.00 0.00 H new ATOM 0 HA ARG A 119 19.063 2.143 4.220 1.00 0.00 H new ATOM 0 HB2 ARG A 119 21.728 0.772 3.684 1.00 0.00 H new ATOM 0 HB3 ARG A 119 21.520 2.228 4.637 1.00 0.00 H new ATOM 0 HG2 ARG A 119 19.875 -0.126 5.452 1.00 0.00 H new ATOM 0 HG3 ARG A 119 21.604 -0.263 5.700 1.00 0.00 H new ATOM 0 HD2 ARG A 119 19.845 2.006 6.719 1.00 0.00 H new ATOM 0 HD3 ARG A 119 20.455 0.678 7.687 1.00 0.00 H new ATOM 0 HE ARG A 119 21.941 3.041 6.800 1.00 0.00 H new ATOM 0 HH11 ARG A 119 22.145 -0.304 7.912 1.00 0.00 H new ATOM 0 HH12 ARG A 119 23.796 -0.124 8.515 1.00 0.00 H new ATOM 0 HH21 ARG A 119 24.061 3.265 7.577 1.00 0.00 H new ATOM 0 HH22 ARG A 119 24.876 1.888 8.327 1.00 0.00 H new ATOM 1886 N ASP A 120 20.178 1.970 1.197 1.00 0.00 N ATOM 1887 CA ASP A 120 20.488 2.738 -0.004 1.00 0.00 C ATOM 1888 C ASP A 120 19.348 2.651 -1.014 1.00 0.00 C ATOM 1889 O ASP A 120 19.359 3.332 -2.039 1.00 0.00 O ATOM 1890 CB ASP A 120 21.786 2.233 -0.636 1.00 0.00 C ATOM 1891 CG ASP A 120 23.003 2.543 0.213 1.00 0.00 C ATOM 1892 OD1 ASP A 120 22.860 2.613 1.452 1.00 0.00 O ATOM 1893 OD2 ASP A 120 24.098 2.715 -0.360 1.00 0.00 O ATOM 0 H ASP A 120 20.037 0.973 1.035 1.00 0.00 H new ATOM 0 HA ASP A 120 20.615 3.782 0.284 1.00 0.00 H new ATOM 0 HB2 ASP A 120 21.718 1.156 -0.788 1.00 0.00 H new ATOM 0 HB3 ASP A 120 21.908 2.686 -1.620 1.00 0.00 H new ATOM 1898 N LYS A 121 18.365 1.807 -0.718 1.00 0.00 N ATOM 1899 CA LYS A 121 17.217 1.630 -1.599 1.00 0.00 C ATOM 1900 C LYS A 121 16.110 2.622 -1.256 1.00 0.00 C ATOM 1901 O LYS A 121 15.365 3.062 -2.132 1.00 0.00 O ATOM 1902 CB LYS A 121 16.684 0.199 -1.495 1.00 0.00 C ATOM 1903 CG LYS A 121 15.905 -0.250 -2.719 1.00 0.00 C ATOM 1904 CD LYS A 121 15.166 -1.553 -2.462 1.00 0.00 C ATOM 1905 CE LYS A 121 13.771 -1.302 -1.911 1.00 0.00 C ATOM 1906 NZ LYS A 121 13.206 -2.516 -1.258 1.00 0.00 N ATOM 0 H LYS A 121 18.341 1.235 0.126 1.00 0.00 H new ATOM 0 HA LYS A 121 17.544 1.816 -2.622 1.00 0.00 H new ATOM 0 HB2 LYS A 121 17.521 -0.481 -1.338 1.00 0.00 H new ATOM 0 HB3 LYS A 121 16.042 0.122 -0.618 1.00 0.00 H new ATOM 0 HG2 LYS A 121 15.192 0.524 -3.002 1.00 0.00 H new ATOM 0 HG3 LYS A 121 16.587 -0.377 -3.559 1.00 0.00 H new ATOM 0 HD2 LYS A 121 15.095 -2.122 -3.389 1.00 0.00 H new ATOM 0 HD3 LYS A 121 15.733 -2.161 -1.757 1.00 0.00 H new ATOM 0 HE2 LYS A 121 13.807 -0.485 -1.190 1.00 0.00 H new ATOM 0 HE3 LYS A 121 13.113 -0.985 -2.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 12.255 -2.304 -0.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 13.148 -3.288 -1.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 13.820 -2.804 -0.470 1.00 0.00 H new ATOM 1920 N TYR A 122 16.010 2.971 0.022 1.00 0.00 N ATOM 1921 CA TYR A 122 14.993 3.911 0.480 1.00 0.00 C ATOM 1922 C TYR A 122 15.632 5.201 0.984 1.00 0.00 C ATOM 1923 O TYR A 122 15.263 6.295 0.559 1.00 0.00 O ATOM 1924 CB TYR A 122 14.148 3.280 1.588 1.00 0.00 C ATOM 1925 CG TYR A 122 13.109 2.307 1.077 1.00 0.00 C ATOM 1926 CD1 TYR A 122 11.883 2.756 0.602 1.00 0.00 C ATOM 1927 CD2 TYR A 122 13.354 0.940 1.069 1.00 0.00 C ATOM 1928 CE1 TYR A 122 10.930 1.871 0.136 1.00 0.00 C ATOM 1929 CE2 TYR A 122 12.408 0.047 0.603 1.00 0.00 C ATOM 1930 CZ TYR A 122 11.197 0.518 0.138 1.00 0.00 C ATOM 1931 OH TYR A 122 10.252 -0.367 -0.328 1.00 0.00 O ATOM 0 H TYR A 122 16.620 2.617 0.759 1.00 0.00 H new ATOM 0 HA TYR A 122 14.349 4.152 -0.366 1.00 0.00 H new ATOM 0 HB2 TYR A 122 14.806 2.762 2.286 1.00 0.00 H new ATOM 0 HB3 TYR A 122 13.649 4.071 2.148 1.00 0.00 H new ATOM 0 HD1 TYR A 122 11.671 3.815 0.597 1.00 0.00 H new ATOM 0 HD2 TYR A 122 14.300 0.568 1.433 1.00 0.00 H new ATOM 0 HE1 TYR A 122 9.981 2.237 -0.228 1.00 0.00 H new ATOM 0 HE2 TYR A 122 12.615 -1.013 0.603 1.00 0.00 H new ATOM 0 HH TYR A 122 10.598 -1.281 -0.259 1.00 0.00 H new ATOM 1941 N GLU A 123 16.592 5.063 1.893 1.00 0.00 N ATOM 1942 CA GLU A 123 17.282 6.217 2.456 1.00 0.00 C ATOM 1943 C GLU A 123 18.013 6.998 1.368 1.00 0.00 C ATOM 1944 O GLU A 123 17.698 8.158 1.101 1.00 0.00 O ATOM 1945 CB GLU A 123 18.274 5.771 3.533 1.00 0.00 C ATOM 1946 CG GLU A 123 18.459 6.787 4.648 1.00 0.00 C ATOM 1947 CD GLU A 123 19.553 6.391 5.621 1.00 0.00 C ATOM 1948 OE1 GLU A 123 20.574 5.832 5.170 1.00 0.00 O ATOM 1949 OE2 GLU A 123 19.386 6.640 6.833 1.00 0.00 O ATOM 0 H GLU A 123 16.909 4.164 2.255 1.00 0.00 H new ATOM 0 HA GLU A 123 16.535 6.870 2.908 1.00 0.00 H new ATOM 0 HB2 GLU A 123 17.931 4.830 3.963 1.00 0.00 H new ATOM 0 HB3 GLU A 123 19.240 5.575 3.067 1.00 0.00 H new ATOM 0 HG2 GLU A 123 18.698 7.758 4.214 1.00 0.00 H new ATOM 0 HG3 GLU A 123 17.520 6.902 5.190 1.00 0.00 H new ATOM 1956 N LYS A 124 18.992 6.354 0.742 1.00 0.00 N ATOM 1957 CA LYS A 124 19.769 6.985 -0.319 1.00 0.00 C ATOM 1958 C LYS A 124 18.932 7.147 -1.583 1.00 0.00 C ATOM 1959 O LYS A 124 19.256 7.954 -2.456 1.00 0.00 O ATOM 1960 CB LYS A 124 21.019 6.158 -0.625 1.00 0.00 C ATOM 1961 CG LYS A 124 21.855 5.842 0.604 1.00 0.00 C ATOM 1962 CD LYS A 124 22.913 6.906 0.847 1.00 0.00 C ATOM 1963 CE LYS A 124 24.087 6.752 -0.108 1.00 0.00 C ATOM 1964 NZ LYS A 124 25.066 7.866 0.034 1.00 0.00 N ATOM 0 H LYS A 124 19.267 5.394 0.951 1.00 0.00 H new ATOM 0 HA LYS A 124 20.071 7.974 0.025 1.00 0.00 H new ATOM 0 HB2 LYS A 124 20.719 5.224 -1.100 1.00 0.00 H new ATOM 0 HB3 LYS A 124 21.635 6.698 -1.344 1.00 0.00 H new ATOM 0 HG2 LYS A 124 21.206 5.766 1.477 1.00 0.00 H new ATOM 0 HG3 LYS A 124 22.335 4.872 0.479 1.00 0.00 H new ATOM 0 HD2 LYS A 124 22.471 7.895 0.725 1.00 0.00 H new ATOM 0 HD3 LYS A 124 23.268 6.840 1.875 1.00 0.00 H new ATOM 0 HE2 LYS A 124 24.587 5.802 0.081 1.00 0.00 H new ATOM 0 HE3 LYS A 124 23.719 6.720 -1.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 25.851 7.725 -0.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 24.595 8.770 -0.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 25.436 7.881 1.006 1.00 0.00 H new ATOM 1978 N LYS A 125 17.853 6.378 -1.676 1.00 0.00 N ATOM 1979 CA LYS A 125 16.967 6.438 -2.833 1.00 0.00 C ATOM 1980 C LYS A 125 17.739 6.184 -4.123 1.00 0.00 C ATOM 1981 O LYS A 125 17.376 6.690 -5.186 1.00 0.00 O ATOM 1982 CB LYS A 125 16.273 7.800 -2.900 1.00 0.00 C ATOM 1983 CG LYS A 125 15.215 7.998 -1.828 1.00 0.00 C ATOM 1984 CD LYS A 125 14.124 6.945 -1.922 1.00 0.00 C ATOM 1985 CE LYS A 125 12.934 7.296 -1.042 1.00 0.00 C ATOM 1986 NZ LYS A 125 12.187 8.474 -1.563 1.00 0.00 N ATOM 0 H LYS A 125 17.570 5.705 -0.963 1.00 0.00 H new ATOM 0 HA LYS A 125 16.213 5.659 -2.723 1.00 0.00 H new ATOM 0 HB2 LYS A 125 17.023 8.585 -2.807 1.00 0.00 H new ATOM 0 HB3 LYS A 125 15.811 7.915 -3.880 1.00 0.00 H new ATOM 0 HG2 LYS A 125 15.680 7.954 -0.843 1.00 0.00 H new ATOM 0 HG3 LYS A 125 14.775 8.990 -1.929 1.00 0.00 H new ATOM 0 HD2 LYS A 125 13.797 6.850 -2.957 1.00 0.00 H new ATOM 0 HD3 LYS A 125 14.525 5.976 -1.624 1.00 0.00 H new ATOM 0 HE2 LYS A 125 12.263 6.439 -0.980 1.00 0.00 H new ATOM 0 HE3 LYS A 125 13.280 7.504 -0.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 11.279 8.559 -1.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 12.748 9.336 -1.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 12.011 8.351 -2.581 1.00 0.00 H new ATOM 2000 N LYS A 126 18.805 5.398 -4.025 1.00 0.00 N ATOM 2001 CA LYS A 126 19.628 5.074 -5.184 1.00 0.00 C ATOM 2002 C LYS A 126 18.769 4.556 -6.334 1.00 0.00 C ATOM 2003 O LYS A 126 18.651 5.204 -7.374 1.00 0.00 O ATOM 2004 CB LYS A 126 20.683 4.030 -4.812 1.00 0.00 C ATOM 2005 CG LYS A 126 21.978 4.632 -4.293 1.00 0.00 C ATOM 2006 CD LYS A 126 23.018 3.561 -4.013 1.00 0.00 C ATOM 2007 CE LYS A 126 23.671 3.069 -5.295 1.00 0.00 C ATOM 2008 NZ LYS A 126 24.309 1.735 -5.117 1.00 0.00 N ATOM 0 H LYS A 126 19.120 4.973 -3.153 1.00 0.00 H new ATOM 0 HA LYS A 126 20.128 5.987 -5.509 1.00 0.00 H new ATOM 0 HB2 LYS A 126 20.272 3.364 -4.053 1.00 0.00 H new ATOM 0 HB3 LYS A 126 20.902 3.419 -5.687 1.00 0.00 H new ATOM 0 HG2 LYS A 126 22.370 5.339 -5.024 1.00 0.00 H new ATOM 0 HG3 LYS A 126 21.779 5.194 -3.381 1.00 0.00 H new ATOM 0 HD2 LYS A 126 23.781 3.960 -3.345 1.00 0.00 H new ATOM 0 HD3 LYS A 126 22.549 2.723 -3.498 1.00 0.00 H new ATOM 0 HE2 LYS A 126 22.922 3.011 -6.085 1.00 0.00 H new ATOM 0 HE3 LYS A 126 24.421 3.790 -5.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 24.743 1.435 -6.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 25.042 1.796 -4.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 23.589 1.041 -4.832 1.00 0.00 H new ATOM 2022 N TYR A 127 18.170 3.387 -6.138 1.00 0.00 N ATOM 2023 CA TYR A 127 17.322 2.782 -7.158 1.00 0.00 C ATOM 2024 C TYR A 127 15.911 3.361 -7.108 1.00 0.00 C ATOM 2025 O TYR A 127 14.928 2.649 -7.315 1.00 0.00 O ATOM 2026 CB TYR A 127 17.270 1.265 -6.974 1.00 0.00 C ATOM 2027 CG TYR A 127 18.602 0.654 -6.602 1.00 0.00 C ATOM 2028 CD1 TYR A 127 19.045 0.653 -5.285 1.00 0.00 C ATOM 2029 CD2 TYR A 127 19.419 0.078 -7.568 1.00 0.00 C ATOM 2030 CE1 TYR A 127 20.261 0.097 -4.941 1.00 0.00 C ATOM 2031 CE2 TYR A 127 20.636 -0.482 -7.232 1.00 0.00 C ATOM 2032 CZ TYR A 127 21.053 -0.470 -5.918 1.00 0.00 C ATOM 2033 OH TYR A 127 22.266 -1.025 -5.580 1.00 0.00 O ATOM 0 H TYR A 127 18.256 2.839 -5.282 1.00 0.00 H new ATOM 0 HA TYR A 127 17.753 3.008 -8.133 1.00 0.00 H new ATOM 0 HB2 TYR A 127 16.541 1.026 -6.199 1.00 0.00 H new ATOM 0 HB3 TYR A 127 16.915 0.807 -7.897 1.00 0.00 H new ATOM 0 HD1 TYR A 127 18.427 1.095 -4.517 1.00 0.00 H new ATOM 0 HD2 TYR A 127 19.097 0.068 -8.599 1.00 0.00 H new ATOM 0 HE1 TYR A 127 20.590 0.106 -3.913 1.00 0.00 H new ATOM 0 HE2 TYR A 127 21.258 -0.927 -7.995 1.00 0.00 H new ATOM 0 HH TYR A 127 22.698 -1.382 -6.384 1.00 0.00 H new ATOM 2043 N TYR A 128 15.820 4.657 -6.831 1.00 0.00 N ATOM 2044 CA TYR A 128 14.531 5.333 -6.752 1.00 0.00 C ATOM 2045 C TYR A 128 14.225 6.078 -8.047 1.00 0.00 C ATOM 2046 O TYR A 128 14.987 6.947 -8.472 1.00 0.00 O ATOM 2047 CB TYR A 128 14.514 6.308 -5.573 1.00 0.00 C ATOM 2048 CG TYR A 128 13.142 6.865 -5.267 1.00 0.00 C ATOM 2049 CD1 TYR A 128 12.139 6.051 -4.757 1.00 0.00 C ATOM 2050 CD2 TYR A 128 12.850 8.205 -5.487 1.00 0.00 C ATOM 2051 CE1 TYR A 128 10.884 6.555 -4.476 1.00 0.00 C ATOM 2052 CE2 TYR A 128 11.599 8.718 -5.208 1.00 0.00 C ATOM 2053 CZ TYR A 128 10.618 7.890 -4.703 1.00 0.00 C ATOM 2054 OH TYR A 128 9.370 8.396 -4.424 1.00 0.00 O ATOM 0 H TYR A 128 16.624 5.260 -6.657 1.00 0.00 H new ATOM 0 HA TYR A 128 13.762 4.576 -6.600 1.00 0.00 H new ATOM 0 HB2 TYR A 128 14.897 5.801 -4.687 1.00 0.00 H new ATOM 0 HB3 TYR A 128 15.193 7.134 -5.786 1.00 0.00 H new ATOM 0 HD1 TYR A 128 12.344 5.006 -4.577 1.00 0.00 H new ATOM 0 HD2 TYR A 128 13.615 8.857 -5.883 1.00 0.00 H new ATOM 0 HE1 TYR A 128 10.115 5.908 -4.081 1.00 0.00 H new ATOM 0 HE2 TYR A 128 11.389 9.763 -5.384 1.00 0.00 H new ATOM 0 HH TYR A 128 9.349 9.352 -4.639 1.00 0.00 H new ATOM 2064 N ASP A 129 13.104 5.732 -8.670 1.00 0.00 N ATOM 2065 CA ASP A 129 12.694 6.368 -9.917 1.00 0.00 C ATOM 2066 C ASP A 129 11.675 7.472 -9.654 1.00 0.00 C ATOM 2067 O ASP A 129 10.489 7.205 -9.464 1.00 0.00 O ATOM 2068 CB ASP A 129 12.106 5.331 -10.874 1.00 0.00 C ATOM 2069 CG ASP A 129 11.997 5.850 -12.295 1.00 0.00 C ATOM 2070 OD1 ASP A 129 11.222 6.802 -12.521 1.00 0.00 O ATOM 2071 OD2 ASP A 129 12.687 5.303 -13.181 1.00 0.00 O ATOM 0 H ASP A 129 12.463 5.014 -8.332 1.00 0.00 H new ATOM 0 HA ASP A 129 13.576 6.814 -10.376 1.00 0.00 H new ATOM 0 HB2 ASP A 129 12.729 4.437 -10.864 1.00 0.00 H new ATOM 0 HB3 ASP A 129 11.118 5.035 -10.522 1.00 0.00 H new