USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 838 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: B 98 GLN : amide:sc= -0.167 K(o=1,f=-1.7) USER MOD Set 1.2: B 102 LYS NZ :NH3+ -164:sc= 1.17 (180deg=0.695) USER MOD Set 2.1: B 62 LYS NZ :NH3+ 177:sc= 0.574 (180deg=0) USER MOD Set 2.2: B 78 HIS : no HD1:sc= -3.14 K(o=-2.6,f=-7.4!) USER MOD Set 3.1: B 56 SER OG : rot 176:sc= -0.604 USER MOD Set 3.2: B 64 GLN : amide:sc= -4.06! C(o=-4.7!,f=-4.7!) USER MOD Set 4.1: B 54 LYS NZ :NH3+ 160:sc= 1.08 (180deg=-0.63) USER MOD Set 4.2: B 66 GLN : amide:sc=0.000225 K(o=-7.4,f=-16!) USER MOD Set 4.3: B 76 ASN : amide:sc= -8.48! C(o=-7.4!,f=-10!) USER MOD Set 5.1: B 45 HIS : no HE2:sc= -2.22 K(o=-2.2,f=-5.2!) USER MOD Set 5.2: B 75 THR OG1 : rot 180:sc= 0 USER MOD Set 6.1: B 13 LYS NZ :NH3+ -124:sc= 0.743 (180deg=-2.89!) USER MOD Set 6.2: B 81 ASN : amide:sc= -1.14 K(o=-0.4,f=-9.7!) USER MOD Single : A 404 ASN : amide:sc= -0.361 X(o=-0.36,f=0) USER MOD Single : B 14 LYS NZ :NH3+ -147:sc= 1.54 (180deg=-1.89!) USER MOD Single : B 17 GLN : amide:sc= -4.01! C(o=-4!,f=-4.9!) USER MOD Single : B 18 LYS NZ :NH3+ 151:sc= -0.0085 (180deg=-0.00977) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 GLN : amide:sc= 0.281 X(o=0.28,f=0) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 MET CE :methyl 179:sc= 0 (180deg=-0.0031) USER MOD Single : B 38 LYS NZ :NH3+ 160:sc= 2.24 (180deg=0.31!) USER MOD Single : B 42 THR OG1 : rot 180:sc= -0.228 USER MOD Single : B 44 SER OG : rot 180:sc= -0.0923 USER MOD Single : B 46 MET CE :methyl -151:sc= -0.35 (180deg=-1.41!) USER MOD Single : B 47 TYR OH : rot -27:sc= 1.04 USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 52 CYS SG : rot -31:sc= -3.66! USER MOD Single : B 53 GLN : amide:sc= -0.245 K(o=-0.24,f=-5.9!) USER MOD Single : B 60 LYS NZ :NH3+ 174:sc= 2.73 (180deg=2.13) USER MOD Single : B 70 HIS : no HE2:sc= -5.36! C(o=-5.4!,f=-9.4!) USER MOD Single : B 74 THR OG1 : rot 42:sc= 0.00729 USER MOD Single : B 80 SER OG : rot 158:sc= 1.35 USER MOD Single : B 83 SER OG : rot 76:sc= 1.19 USER MOD Single : B 84 THR OG1 : rot 36:sc= 1.17 USER MOD Single : B 87 LYS NZ :NH3+ -175:sc= 1.13 (180deg=0.896) USER MOD Single : B 93 LYS NZ :NH3+ -174:sc= 0.157 (180deg=-0.351) USER MOD Single : B 97 GLN :FLIP amide:sc= -0.0187 F(o=-1,f=-0.019) USER MOD ----------------------------------------------------------------- ATOM 101 N GLU A 399 1.035 13.194 11.973 1.00 0.00 N ATOM 102 CA GLU A 399 -0.093 12.934 12.857 1.00 0.00 C ATOM 103 C GLU A 399 -0.870 11.739 12.345 1.00 0.00 C ATOM 104 O GLU A 399 -1.598 11.830 11.366 1.00 0.00 O ATOM 105 CB GLU A 399 -1.015 14.150 12.998 1.00 0.00 C ATOM 106 CG GLU A 399 -1.305 14.899 11.705 1.00 0.00 C ATOM 107 CD GLU A 399 -2.552 15.760 11.813 1.00 0.00 C ATOM 108 OE1 GLU A 399 -3.293 15.612 12.811 1.00 0.00 O ATOM 109 OE2 GLU A 399 -2.805 16.572 10.897 1.00 0.00 O ATOM 0 HA GLU A 399 0.303 12.721 13.850 1.00 0.00 H new ATOM 0 HB2 GLU A 399 -1.961 13.820 13.428 1.00 0.00 H new ATOM 0 HB3 GLU A 399 -0.567 14.845 13.709 1.00 0.00 H new ATOM 0 HG2 GLU A 399 -0.451 15.528 11.451 1.00 0.00 H new ATOM 0 HG3 GLU A 399 -1.428 14.184 10.892 1.00 0.00 H new ATOM 116 N ASP A 400 -0.699 10.615 13.003 1.00 0.00 N ATOM 117 CA ASP A 400 -1.362 9.393 12.596 1.00 0.00 C ATOM 118 C ASP A 400 -2.002 8.704 13.790 1.00 0.00 C ATOM 119 O ASP A 400 -1.428 7.790 14.376 1.00 0.00 O ATOM 120 CB ASP A 400 -0.356 8.458 11.926 1.00 0.00 C ATOM 121 CG ASP A 400 1.090 8.797 12.270 1.00 0.00 C ATOM 122 OD1 ASP A 400 1.539 8.450 13.381 1.00 0.00 O ATOM 123 OD2 ASP A 400 1.770 9.426 11.428 1.00 0.00 O ATOM 0 H ASP A 400 -0.104 10.520 13.826 1.00 0.00 H new ATOM 0 HA ASP A 400 -2.149 9.644 11.885 1.00 0.00 H new ATOM 0 HB2 ASP A 400 -0.565 7.432 12.228 1.00 0.00 H new ATOM 0 HB3 ASP A 400 -0.488 8.505 10.845 1.00 0.00 H new ATOM 128 N ASP A 401 -3.202 9.134 14.137 1.00 0.00 N ATOM 129 CA ASP A 401 -3.898 8.568 15.294 1.00 0.00 C ATOM 130 C ASP A 401 -5.385 8.327 15.048 1.00 0.00 C ATOM 131 O ASP A 401 -5.887 7.245 15.349 1.00 0.00 O ATOM 132 CB ASP A 401 -3.704 9.465 16.525 1.00 0.00 C ATOM 133 CG ASP A 401 -4.242 10.880 16.334 1.00 0.00 C ATOM 134 OD1 ASP A 401 -4.282 11.364 15.176 1.00 0.00 O ATOM 135 OD2 ASP A 401 -4.614 11.511 17.338 1.00 0.00 O ATOM 0 H ASP A 401 -3.716 9.865 13.645 1.00 0.00 H new ATOM 0 HA ASP A 401 -3.450 7.591 15.474 1.00 0.00 H new ATOM 0 HB2 ASP A 401 -4.201 9.008 17.381 1.00 0.00 H new ATOM 0 HB3 ASP A 401 -2.642 9.517 16.764 1.00 0.00 H new ATOM 140 N ASP A 402 -6.089 9.308 14.491 1.00 0.00 N ATOM 141 CA ASP A 402 -7.523 9.163 14.216 1.00 0.00 C ATOM 142 C ASP A 402 -7.745 8.245 13.025 1.00 0.00 C ATOM 143 O ASP A 402 -8.848 8.145 12.486 1.00 0.00 O ATOM 144 CB ASP A 402 -8.185 10.523 13.965 1.00 0.00 C ATOM 145 CG ASP A 402 -7.437 11.375 12.960 1.00 0.00 C ATOM 146 OD1 ASP A 402 -6.960 10.834 11.936 1.00 0.00 O ATOM 147 OD2 ASP A 402 -7.314 12.592 13.203 1.00 0.00 O ATOM 0 H ASP A 402 -5.696 10.210 14.221 1.00 0.00 H new ATOM 0 HA ASP A 402 -7.986 8.720 15.097 1.00 0.00 H new ATOM 0 HB2 ASP A 402 -9.203 10.364 13.610 1.00 0.00 H new ATOM 0 HB3 ASP A 402 -8.257 11.064 14.908 1.00 0.00 H new ATOM 152 N PHE A 403 -6.676 7.569 12.640 1.00 0.00 N ATOM 153 CA PHE A 403 -6.673 6.643 11.548 1.00 0.00 C ATOM 154 C PHE A 403 -7.767 5.595 11.721 1.00 0.00 C ATOM 155 O PHE A 403 -7.799 4.871 12.714 1.00 0.00 O ATOM 156 CB PHE A 403 -5.318 5.975 11.518 1.00 0.00 C ATOM 157 CG PHE A 403 -4.444 6.372 10.385 1.00 0.00 C ATOM 158 CD1 PHE A 403 -4.865 6.180 9.091 1.00 0.00 C ATOM 159 CD2 PHE A 403 -3.185 6.887 10.613 1.00 0.00 C ATOM 160 CE1 PHE A 403 -4.050 6.489 8.033 1.00 0.00 C ATOM 161 CE2 PHE A 403 -2.365 7.208 9.556 1.00 0.00 C ATOM 162 CZ PHE A 403 -2.798 7.005 8.266 1.00 0.00 C ATOM 0 H PHE A 403 -5.769 7.660 13.097 1.00 0.00 H new ATOM 0 HA PHE A 403 -6.866 7.170 10.614 1.00 0.00 H new ATOM 0 HB2 PHE A 403 -4.800 6.197 12.451 1.00 0.00 H new ATOM 0 HB3 PHE A 403 -5.463 4.895 11.483 1.00 0.00 H new ATOM 0 HD1 PHE A 403 -5.851 5.780 8.905 1.00 0.00 H new ATOM 0 HD2 PHE A 403 -2.841 7.039 11.626 1.00 0.00 H new ATOM 0 HE1 PHE A 403 -4.390 6.328 7.021 1.00 0.00 H new ATOM 0 HE2 PHE A 403 -1.383 7.619 9.739 1.00 0.00 H new ATOM 0 HZ PHE A 403 -2.153 7.252 7.436 1.00 0.00 H new ATOM 172 N ASN A 404 -8.646 5.518 10.744 1.00 0.00 N ATOM 173 CA ASN A 404 -9.753 4.571 10.774 1.00 0.00 C ATOM 174 C ASN A 404 -9.282 3.258 10.218 1.00 0.00 C ATOM 175 O ASN A 404 -8.597 3.224 9.196 1.00 0.00 O ATOM 176 CB ASN A 404 -10.953 5.091 9.974 1.00 0.00 C ATOM 177 CG ASN A 404 -11.849 6.022 10.775 1.00 0.00 C ATOM 178 OD1 ASN A 404 -13.066 6.028 10.600 1.00 0.00 O ATOM 179 ND2 ASN A 404 -11.261 6.827 11.648 1.00 0.00 N ATOM 0 H ASN A 404 -8.619 6.104 9.909 1.00 0.00 H new ATOM 0 HA ASN A 404 -10.081 4.441 11.805 1.00 0.00 H new ATOM 0 HB2 ASN A 404 -10.592 5.617 9.090 1.00 0.00 H new ATOM 0 HB3 ASN A 404 -11.542 4.244 9.623 1.00 0.00 H new ATOM 0 HD21 ASN A 404 -11.821 7.477 12.199 1.00 0.00 H new ATOM 0 HD22 ASN A 404 -10.249 6.796 11.769 1.00 0.00 H new ATOM 361 N VAL B 8 -0.488 -0.108 -13.556 1.00 0.00 N ATOM 362 CA VAL B 8 -0.911 0.945 -12.651 1.00 0.00 C ATOM 363 C VAL B 8 -2.373 1.274 -12.903 1.00 0.00 C ATOM 364 O VAL B 8 -2.736 1.733 -13.985 1.00 0.00 O ATOM 365 CB VAL B 8 -0.078 2.225 -12.835 1.00 0.00 C ATOM 366 CG1 VAL B 8 -0.614 3.329 -11.940 1.00 0.00 C ATOM 367 CG2 VAL B 8 1.392 1.958 -12.548 1.00 0.00 C ATOM 0 HA VAL B 8 -0.766 0.583 -11.633 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.161 2.550 -13.872 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -0.017 4.231 -12.078 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -1.652 3.537 -12.201 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -0.558 3.012 -10.898 1.00 0.00 H new ATOM 0 HG21 VAL B 8 1.962 2.877 -12.684 1.00 0.00 H new ATOM 0 HG22 VAL B 8 1.505 1.610 -11.521 1.00 0.00 H new ATOM 0 HG23 VAL B 8 1.764 1.196 -13.233 1.00 0.00 H new ATOM 377 N LEU B 9 -3.204 1.026 -11.908 1.00 0.00 N ATOM 378 CA LEU B 9 -4.626 1.283 -12.030 1.00 0.00 C ATOM 379 C LEU B 9 -4.989 2.642 -11.448 1.00 0.00 C ATOM 380 O LEU B 9 -5.928 3.292 -11.899 1.00 0.00 O ATOM 381 CB LEU B 9 -5.432 0.187 -11.323 1.00 0.00 C ATOM 382 CG LEU B 9 -4.981 -1.252 -11.598 1.00 0.00 C ATOM 383 CD1 LEU B 9 -5.806 -2.232 -10.780 1.00 0.00 C ATOM 384 CD2 LEU B 9 -5.084 -1.574 -13.082 1.00 0.00 C ATOM 0 H LEU B 9 -2.918 0.646 -11.005 1.00 0.00 H new ATOM 0 HA LEU B 9 -4.874 1.282 -13.091 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -5.386 0.364 -10.248 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -6.477 0.283 -11.617 1.00 0.00 H new ATOM 0 HG LEU B 9 -3.937 -1.347 -11.301 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -5.473 -3.249 -10.987 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -5.679 -2.017 -9.719 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -6.858 -2.133 -11.047 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -4.759 -2.600 -13.255 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -6.118 -1.461 -13.408 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -4.449 -0.892 -13.647 1.00 0.00 H new ATOM 396 N LEU B 10 -4.239 3.070 -10.444 1.00 0.00 N ATOM 397 CA LEU B 10 -4.507 4.341 -9.795 1.00 0.00 C ATOM 398 C LEU B 10 -3.246 5.170 -9.618 1.00 0.00 C ATOM 399 O LEU B 10 -2.279 4.719 -9.006 1.00 0.00 O ATOM 400 CB LEU B 10 -5.137 4.089 -8.432 1.00 0.00 C ATOM 401 CG LEU B 10 -5.542 5.349 -7.660 1.00 0.00 C ATOM 402 CD1 LEU B 10 -6.960 5.773 -7.988 1.00 0.00 C ATOM 403 CD2 LEU B 10 -5.404 5.123 -6.170 1.00 0.00 C ATOM 0 H LEU B 10 -3.444 2.557 -10.063 1.00 0.00 H new ATOM 0 HA LEU B 10 -5.188 4.902 -10.435 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -6.020 3.465 -8.567 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -4.434 3.519 -7.824 1.00 0.00 H new ATOM 0 HG LEU B 10 -4.870 6.151 -7.966 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -7.212 6.670 -7.422 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -7.039 5.983 -9.055 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -7.650 4.971 -7.724 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -5.696 6.028 -5.636 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -6.049 4.298 -5.866 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -4.368 4.880 -5.933 1.00 0.00 H new ATOM 415 N ILE B 11 -3.259 6.375 -10.162 1.00 0.00 N ATOM 416 CA ILE B 11 -2.134 7.280 -10.020 1.00 0.00 C ATOM 417 C ILE B 11 -2.526 8.415 -9.096 1.00 0.00 C ATOM 418 O ILE B 11 -3.451 9.175 -9.385 1.00 0.00 O ATOM 419 CB ILE B 11 -1.660 7.885 -11.355 1.00 0.00 C ATOM 420 CG1 ILE B 11 -1.256 6.782 -12.336 1.00 0.00 C ATOM 421 CG2 ILE B 11 -0.492 8.836 -11.097 1.00 0.00 C ATOM 422 CD1 ILE B 11 -0.977 7.286 -13.735 1.00 0.00 C ATOM 0 H ILE B 11 -4.037 6.748 -10.706 1.00 0.00 H new ATOM 0 HA ILE B 11 -1.309 6.692 -9.617 1.00 0.00 H new ATOM 0 HB ILE B 11 -2.481 8.444 -11.804 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -0.367 6.278 -11.957 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -2.051 6.037 -12.379 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -0.156 9.264 -12.041 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -0.814 9.636 -10.430 1.00 0.00 H new ATOM 0 HG23 ILE B 11 0.329 8.287 -10.635 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -0.697 6.449 -14.374 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -1.871 7.764 -14.135 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -0.162 8.009 -13.705 1.00 0.00 H new ATOM 434 N VAL B 12 -1.828 8.523 -7.991 1.00 0.00 N ATOM 435 CA VAL B 12 -2.099 9.555 -7.026 1.00 0.00 C ATOM 436 C VAL B 12 -0.941 10.525 -6.998 1.00 0.00 C ATOM 437 O VAL B 12 0.207 10.141 -7.213 1.00 0.00 O ATOM 438 CB VAL B 12 -2.321 8.979 -5.619 1.00 0.00 C ATOM 439 CG1 VAL B 12 -3.068 9.970 -4.751 1.00 0.00 C ATOM 440 CG2 VAL B 12 -3.071 7.662 -5.692 1.00 0.00 C ATOM 0 H VAL B 12 -1.061 7.900 -7.738 1.00 0.00 H new ATOM 0 HA VAL B 12 -3.016 10.064 -7.324 1.00 0.00 H new ATOM 0 HB VAL B 12 -1.347 8.793 -5.167 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.216 9.545 -3.758 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.490 10.890 -4.669 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -4.037 10.189 -5.200 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -3.218 7.271 -4.685 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -4.040 7.821 -6.165 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -2.494 6.947 -6.279 1.00 0.00 H new ATOM 450 N LYS B 13 -1.237 11.770 -6.733 1.00 0.00 N ATOM 451 CA LYS B 13 -0.208 12.784 -6.694 1.00 0.00 C ATOM 452 C LYS B 13 0.012 13.226 -5.273 1.00 0.00 C ATOM 453 O LYS B 13 -0.679 12.749 -4.382 1.00 0.00 O ATOM 454 CB LYS B 13 -0.586 13.973 -7.569 1.00 0.00 C ATOM 455 CG LYS B 13 -0.638 13.632 -9.043 1.00 0.00 C ATOM 456 CD LYS B 13 -1.960 14.043 -9.665 1.00 0.00 C ATOM 457 CE LYS B 13 -3.136 13.273 -9.076 1.00 0.00 C ATOM 458 NZ LYS B 13 -3.793 14.013 -7.958 1.00 0.00 N ATOM 0 H LYS B 13 -2.179 12.109 -6.541 1.00 0.00 H new ATOM 0 HA LYS B 13 0.717 12.361 -7.084 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -1.558 14.353 -7.255 1.00 0.00 H new ATOM 0 HB3 LYS B 13 0.135 14.775 -7.413 1.00 0.00 H new ATOM 0 HG2 LYS B 13 0.180 14.132 -9.562 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -0.491 12.560 -9.175 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -2.115 15.111 -9.513 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -1.921 13.876 -10.741 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -3.868 13.077 -9.859 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -2.789 12.305 -8.714 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -3.804 13.417 -7.106 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -3.264 14.887 -7.762 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -4.769 14.251 -8.226 1.00 0.00 H new ATOM 472 N LYS B 14 0.908 14.198 -5.117 1.00 0.00 N ATOM 473 CA LYS B 14 1.303 14.756 -3.814 1.00 0.00 C ATOM 474 C LYS B 14 0.955 13.837 -2.644 1.00 0.00 C ATOM 475 O LYS B 14 -0.010 14.061 -1.915 1.00 0.00 O ATOM 476 CB LYS B 14 0.635 16.116 -3.616 1.00 0.00 C ATOM 477 CG LYS B 14 1.428 17.275 -4.189 1.00 0.00 C ATOM 478 CD LYS B 14 2.259 17.958 -3.117 1.00 0.00 C ATOM 479 CE LYS B 14 3.612 18.389 -3.654 1.00 0.00 C ATOM 480 NZ LYS B 14 4.424 17.228 -4.099 1.00 0.00 N ATOM 0 H LYS B 14 1.392 14.632 -5.903 1.00 0.00 H new ATOM 0 HA LYS B 14 2.388 14.861 -3.825 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -0.351 16.097 -4.080 1.00 0.00 H new ATOM 0 HB3 LYS B 14 0.482 16.284 -2.550 1.00 0.00 H new ATOM 0 HG2 LYS B 14 2.081 16.914 -4.984 1.00 0.00 H new ATOM 0 HG3 LYS B 14 0.747 17.997 -4.639 1.00 0.00 H new ATOM 0 HD2 LYS B 14 1.723 18.828 -2.738 1.00 0.00 H new ATOM 0 HD3 LYS B 14 2.399 17.279 -2.276 1.00 0.00 H new ATOM 0 HE2 LYS B 14 3.470 19.075 -4.489 1.00 0.00 H new ATOM 0 HE3 LYS B 14 4.152 18.936 -2.881 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 5.431 17.423 -3.928 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 4.140 16.381 -3.567 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 4.271 17.066 -5.115 1.00 0.00 H new ATOM 494 N VAL B 15 1.733 12.773 -2.516 1.00 0.00 N ATOM 495 CA VAL B 15 1.556 11.804 -1.450 1.00 0.00 C ATOM 496 C VAL B 15 2.860 11.661 -0.678 1.00 0.00 C ATOM 497 O VAL B 15 3.899 11.353 -1.256 1.00 0.00 O ATOM 498 CB VAL B 15 1.116 10.420 -1.987 1.00 0.00 C ATOM 499 CG1 VAL B 15 1.260 9.349 -0.918 1.00 0.00 C ATOM 500 CG2 VAL B 15 -0.318 10.466 -2.478 1.00 0.00 C ATOM 0 H VAL B 15 2.504 12.559 -3.149 1.00 0.00 H new ATOM 0 HA VAL B 15 0.764 12.169 -0.796 1.00 0.00 H new ATOM 0 HB VAL B 15 1.768 10.167 -2.823 1.00 0.00 H new ATOM 0 HG11 VAL B 15 0.944 8.387 -1.322 1.00 0.00 H new ATOM 0 HG12 VAL B 15 2.302 9.286 -0.604 1.00 0.00 H new ATOM 0 HG13 VAL B 15 0.637 9.605 -0.061 1.00 0.00 H new ATOM 0 HG21 VAL B 15 -0.607 9.483 -2.851 1.00 0.00 H new ATOM 0 HG22 VAL B 15 -0.975 10.749 -1.656 1.00 0.00 H new ATOM 0 HG23 VAL B 15 -0.404 11.198 -3.281 1.00 0.00 H new ATOM 510 N ARG B 16 2.804 11.905 0.613 1.00 0.00 N ATOM 511 CA ARG B 16 3.970 11.812 1.460 1.00 0.00 C ATOM 512 C ARG B 16 4.046 10.461 2.150 1.00 0.00 C ATOM 513 O ARG B 16 3.073 10.001 2.739 1.00 0.00 O ATOM 514 CB ARG B 16 3.942 12.909 2.515 1.00 0.00 C ATOM 515 CG ARG B 16 4.441 14.253 2.023 1.00 0.00 C ATOM 516 CD ARG B 16 4.646 15.207 3.182 1.00 0.00 C ATOM 517 NE ARG B 16 4.917 14.479 4.423 1.00 0.00 N ATOM 518 CZ ARG B 16 5.091 15.046 5.614 1.00 0.00 C ATOM 519 NH1 ARG B 16 5.085 16.365 5.749 1.00 0.00 N ATOM 520 NH2 ARG B 16 5.270 14.284 6.677 1.00 0.00 N ATOM 0 H ARG B 16 1.950 12.173 1.103 1.00 0.00 H new ATOM 0 HA ARG B 16 4.848 11.930 0.825 1.00 0.00 H new ATOM 0 HB2 ARG B 16 2.921 13.023 2.878 1.00 0.00 H new ATOM 0 HB3 ARG B 16 4.549 12.597 3.365 1.00 0.00 H new ATOM 0 HG2 ARG B 16 5.379 14.122 1.483 1.00 0.00 H new ATOM 0 HG3 ARG B 16 3.724 14.677 1.319 1.00 0.00 H new ATOM 0 HD2 ARG B 16 5.476 15.878 2.962 1.00 0.00 H new ATOM 0 HD3 ARG B 16 3.759 15.828 3.307 1.00 0.00 H new ATOM 0 HE ARG B 16 4.977 13.462 4.371 1.00 0.00 H new ATOM 0 HH11 ARG B 16 4.946 16.961 4.933 1.00 0.00 H new ATOM 0 HH12 ARG B 16 5.220 16.784 6.669 1.00 0.00 H new ATOM 0 HH21 ARG B 16 5.274 13.268 6.582 1.00 0.00 H new ATOM 0 HH22 ARG B 16 5.404 14.711 7.594 1.00 0.00 H new ATOM 534 N GLN B 17 5.203 9.838 2.079 1.00 0.00 N ATOM 535 CA GLN B 17 5.418 8.557 2.719 1.00 0.00 C ATOM 536 C GLN B 17 6.566 8.681 3.705 1.00 0.00 C ATOM 537 O GLN B 17 7.724 8.730 3.310 1.00 0.00 O ATOM 538 CB GLN B 17 5.720 7.478 1.675 1.00 0.00 C ATOM 539 CG GLN B 17 5.658 6.057 2.219 1.00 0.00 C ATOM 540 CD GLN B 17 6.988 5.559 2.759 1.00 0.00 C ATOM 541 OE1 GLN B 17 7.030 4.739 3.672 1.00 0.00 O ATOM 542 NE2 GLN B 17 8.085 6.047 2.197 1.00 0.00 N ATOM 0 H GLN B 17 6.015 10.201 1.580 1.00 0.00 H new ATOM 0 HA GLN B 17 4.514 8.263 3.252 1.00 0.00 H new ATOM 0 HB2 GLN B 17 5.010 7.573 0.853 1.00 0.00 H new ATOM 0 HB3 GLN B 17 6.713 7.655 1.261 1.00 0.00 H new ATOM 0 HG2 GLN B 17 4.912 6.012 3.013 1.00 0.00 H new ATOM 0 HG3 GLN B 17 5.322 5.387 1.427 1.00 0.00 H new ATOM 0 HE21 GLN B 17 8.011 6.727 1.440 1.00 0.00 H new ATOM 0 HE22 GLN B 17 9.003 5.742 2.521 1.00 0.00 H new ATOM 551 N LYS B 18 6.228 8.754 4.982 1.00 0.00 N ATOM 552 CA LYS B 18 7.218 8.868 6.048 1.00 0.00 C ATOM 553 C LYS B 18 8.095 10.118 5.893 1.00 0.00 C ATOM 554 O LYS B 18 9.300 10.016 5.643 1.00 0.00 O ATOM 555 CB LYS B 18 8.093 7.609 6.120 1.00 0.00 C ATOM 556 CG LYS B 18 7.303 6.336 6.366 1.00 0.00 C ATOM 557 CD LYS B 18 8.202 5.194 6.811 1.00 0.00 C ATOM 558 CE LYS B 18 7.809 4.686 8.190 1.00 0.00 C ATOM 559 NZ LYS B 18 6.809 3.579 8.124 1.00 0.00 N ATOM 0 H LYS B 18 5.263 8.736 5.311 1.00 0.00 H new ATOM 0 HA LYS B 18 6.666 8.968 6.983 1.00 0.00 H new ATOM 0 HB2 LYS B 18 8.648 7.508 5.187 1.00 0.00 H new ATOM 0 HB3 LYS B 18 8.827 7.731 6.916 1.00 0.00 H new ATOM 0 HG2 LYS B 18 6.544 6.520 7.127 1.00 0.00 H new ATOM 0 HG3 LYS B 18 6.778 6.052 5.454 1.00 0.00 H new ATOM 0 HD2 LYS B 18 8.142 4.379 6.090 1.00 0.00 H new ATOM 0 HD3 LYS B 18 9.239 5.530 6.827 1.00 0.00 H new ATOM 0 HE2 LYS B 18 8.699 4.337 8.713 1.00 0.00 H new ATOM 0 HE3 LYS B 18 7.398 5.509 8.774 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 6.926 2.956 8.948 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 5.849 3.978 8.126 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 6.955 3.031 7.252 1.00 0.00 H new ATOM 573 N LYS B 19 7.463 11.288 6.008 1.00 0.00 N ATOM 574 CA LYS B 19 8.154 12.587 5.952 1.00 0.00 C ATOM 575 C LYS B 19 8.723 12.948 4.565 1.00 0.00 C ATOM 576 O LYS B 19 9.632 13.773 4.480 1.00 0.00 O ATOM 577 CB LYS B 19 9.287 12.628 6.997 1.00 0.00 C ATOM 578 CG LYS B 19 9.000 13.503 8.217 1.00 0.00 C ATOM 579 CD LYS B 19 7.907 12.916 9.100 1.00 0.00 C ATOM 580 CE LYS B 19 8.044 13.345 10.555 1.00 0.00 C ATOM 581 NZ LYS B 19 9.087 12.566 11.275 1.00 0.00 N ATOM 0 H LYS B 19 6.455 11.366 6.143 1.00 0.00 H new ATOM 0 HA LYS B 19 7.391 13.334 6.173 1.00 0.00 H new ATOM 0 HB2 LYS B 19 9.488 11.611 7.335 1.00 0.00 H new ATOM 0 HB3 LYS B 19 10.195 12.988 6.514 1.00 0.00 H new ATOM 0 HG2 LYS B 19 9.913 13.620 8.801 1.00 0.00 H new ATOM 0 HG3 LYS B 19 8.703 14.498 7.887 1.00 0.00 H new ATOM 0 HD2 LYS B 19 6.933 13.227 8.723 1.00 0.00 H new ATOM 0 HD3 LYS B 19 7.940 11.828 9.040 1.00 0.00 H new ATOM 0 HE2 LYS B 19 8.291 14.406 10.597 1.00 0.00 H new ATOM 0 HE3 LYS B 19 7.086 13.220 11.060 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 9.145 12.892 12.261 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 8.839 11.556 11.258 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 10.007 12.705 10.810 1.00 0.00 H new ATOM 595 N GLN B 20 8.197 12.376 3.482 1.00 0.00 N ATOM 596 CA GLN B 20 8.702 12.715 2.143 1.00 0.00 C ATOM 597 C GLN B 20 7.575 12.690 1.115 1.00 0.00 C ATOM 598 O GLN B 20 6.793 11.748 1.069 1.00 0.00 O ATOM 599 CB GLN B 20 9.852 11.787 1.726 1.00 0.00 C ATOM 600 CG GLN B 20 9.465 10.327 1.612 1.00 0.00 C ATOM 601 CD GLN B 20 10.629 9.395 1.866 1.00 0.00 C ATOM 602 OE1 GLN B 20 11.347 9.009 0.943 1.00 0.00 O ATOM 603 NE2 GLN B 20 10.822 9.019 3.121 1.00 0.00 N ATOM 0 H GLN B 20 7.440 11.692 3.497 1.00 0.00 H new ATOM 0 HA GLN B 20 9.099 13.729 2.185 1.00 0.00 H new ATOM 0 HB2 GLN B 20 10.244 12.123 0.766 1.00 0.00 H new ATOM 0 HB3 GLN B 20 10.660 11.881 2.451 1.00 0.00 H new ATOM 0 HG2 GLN B 20 8.668 10.110 2.323 1.00 0.00 H new ATOM 0 HG3 GLN B 20 9.064 10.138 0.616 1.00 0.00 H new ATOM 0 HE21 GLN B 20 10.204 9.362 3.857 1.00 0.00 H new ATOM 0 HE22 GLN B 20 11.588 8.387 3.352 1.00 0.00 H new ATOM 612 N ASP B 21 7.505 13.733 0.294 1.00 0.00 N ATOM 613 CA ASP B 21 6.448 13.871 -0.715 1.00 0.00 C ATOM 614 C ASP B 21 6.792 13.163 -2.027 1.00 0.00 C ATOM 615 O ASP B 21 7.968 12.973 -2.355 1.00 0.00 O ATOM 616 CB ASP B 21 6.177 15.354 -0.982 1.00 0.00 C ATOM 617 CG ASP B 21 4.716 15.641 -1.273 1.00 0.00 C ATOM 618 OD1 ASP B 21 4.240 15.268 -2.363 1.00 0.00 O ATOM 619 OD2 ASP B 21 4.045 16.253 -0.415 1.00 0.00 O ATOM 0 H ASP B 21 8.172 14.504 0.305 1.00 0.00 H new ATOM 0 HA ASP B 21 5.555 13.392 -0.314 1.00 0.00 H new ATOM 0 HB2 ASP B 21 6.492 15.938 -0.117 1.00 0.00 H new ATOM 0 HB3 ASP B 21 6.783 15.683 -1.826 1.00 0.00 H new ATOM 624 N GLY B 22 5.756 12.767 -2.764 1.00 0.00 N ATOM 625 CA GLY B 22 5.941 12.086 -4.031 1.00 0.00 C ATOM 626 C GLY B 22 4.624 11.745 -4.714 1.00 0.00 C ATOM 627 O GLY B 22 3.600 12.376 -4.455 1.00 0.00 O ATOM 0 H GLY B 22 4.781 12.909 -2.500 1.00 0.00 H new ATOM 0 HA2 GLY B 22 6.536 12.715 -4.693 1.00 0.00 H new ATOM 0 HA3 GLY B 22 6.508 11.170 -3.867 1.00 0.00 H new ATOM 631 N ALA B 23 4.657 10.740 -5.579 1.00 0.00 N ATOM 632 CA ALA B 23 3.479 10.293 -6.318 1.00 0.00 C ATOM 633 C ALA B 23 3.235 8.812 -6.050 1.00 0.00 C ATOM 634 O ALA B 23 4.166 8.005 -6.075 1.00 0.00 O ATOM 635 CB ALA B 23 3.667 10.543 -7.805 1.00 0.00 C ATOM 0 H ALA B 23 5.502 10.209 -5.790 1.00 0.00 H new ATOM 0 HA ALA B 23 2.609 10.858 -5.983 1.00 0.00 H new ATOM 0 HB1 ALA B 23 2.782 10.206 -8.345 1.00 0.00 H new ATOM 0 HB2 ALA B 23 3.814 11.609 -7.979 1.00 0.00 H new ATOM 0 HB3 ALA B 23 4.540 9.994 -8.159 1.00 0.00 H new ATOM 641 N LEU B 24 1.986 8.462 -5.799 1.00 0.00 N ATOM 642 CA LEU B 24 1.606 7.088 -5.497 1.00 0.00 C ATOM 643 C LEU B 24 1.005 6.414 -6.734 1.00 0.00 C ATOM 644 O LEU B 24 0.273 7.039 -7.491 1.00 0.00 O ATOM 645 CB LEU B 24 0.598 7.097 -4.348 1.00 0.00 C ATOM 646 CG LEU B 24 0.120 5.724 -3.878 1.00 0.00 C ATOM 647 CD1 LEU B 24 0.989 5.177 -2.769 1.00 0.00 C ATOM 648 CD2 LEU B 24 -1.327 5.799 -3.428 1.00 0.00 C ATOM 0 H LEU B 24 1.206 9.119 -5.798 1.00 0.00 H new ATOM 0 HA LEU B 24 2.489 6.520 -5.203 1.00 0.00 H new ATOM 0 HB2 LEU B 24 1.045 7.616 -3.500 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -0.271 7.679 -4.655 1.00 0.00 H new ATOM 0 HG LEU B 24 0.197 5.039 -4.722 1.00 0.00 H new ATOM 0 HD11 LEU B 24 0.616 4.200 -2.463 1.00 0.00 H new ATOM 0 HD12 LEU B 24 2.014 5.079 -3.125 1.00 0.00 H new ATOM 0 HD13 LEU B 24 0.964 5.858 -1.918 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -1.656 4.815 -3.095 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -1.416 6.508 -2.605 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -1.950 6.128 -4.260 1.00 0.00 H new ATOM 660 N TYR B 25 1.328 5.145 -6.943 1.00 0.00 N ATOM 661 CA TYR B 25 0.815 4.397 -8.088 1.00 0.00 C ATOM 662 C TYR B 25 0.365 3.006 -7.651 1.00 0.00 C ATOM 663 O TYR B 25 1.187 2.153 -7.319 1.00 0.00 O ATOM 664 CB TYR B 25 1.884 4.252 -9.180 1.00 0.00 C ATOM 665 CG TYR B 25 2.553 5.542 -9.604 1.00 0.00 C ATOM 666 CD1 TYR B 25 2.083 6.267 -10.690 1.00 0.00 C ATOM 667 CD2 TYR B 25 3.667 6.025 -8.925 1.00 0.00 C ATOM 668 CE1 TYR B 25 2.702 7.436 -11.088 1.00 0.00 C ATOM 669 CE2 TYR B 25 4.288 7.194 -9.317 1.00 0.00 C ATOM 670 CZ TYR B 25 3.802 7.895 -10.398 1.00 0.00 C ATOM 671 OH TYR B 25 4.422 9.058 -10.793 1.00 0.00 O ATOM 0 H TYR B 25 1.945 4.608 -6.333 1.00 0.00 H new ATOM 0 HA TYR B 25 -0.032 4.953 -8.492 1.00 0.00 H new ATOM 0 HB2 TYR B 25 2.651 3.563 -8.826 1.00 0.00 H new ATOM 0 HB3 TYR B 25 1.425 3.795 -10.056 1.00 0.00 H new ATOM 0 HD1 TYR B 25 1.220 5.912 -11.233 1.00 0.00 H new ATOM 0 HD2 TYR B 25 4.052 5.477 -8.078 1.00 0.00 H new ATOM 0 HE1 TYR B 25 2.325 7.988 -11.937 1.00 0.00 H new ATOM 0 HE2 TYR B 25 5.151 7.557 -8.778 1.00 0.00 H new ATOM 0 HH TYR B 25 5.181 9.242 -10.200 1.00 0.00 H new ATOM 681 N LEU B 26 -0.933 2.769 -7.656 1.00 0.00 N ATOM 682 CA LEU B 26 -1.456 1.474 -7.251 1.00 0.00 C ATOM 683 C LEU B 26 -1.536 0.536 -8.442 1.00 0.00 C ATOM 684 O LEU B 26 -2.208 0.831 -9.430 1.00 0.00 O ATOM 685 CB LEU B 26 -2.832 1.608 -6.605 1.00 0.00 C ATOM 686 CG LEU B 26 -2.919 2.625 -5.472 1.00 0.00 C ATOM 687 CD1 LEU B 26 -4.146 2.383 -4.623 1.00 0.00 C ATOM 688 CD2 LEU B 26 -1.692 2.587 -4.598 1.00 0.00 C ATOM 0 H LEU B 26 -1.641 3.449 -7.933 1.00 0.00 H new ATOM 0 HA LEU B 26 -0.770 1.058 -6.513 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -3.553 1.883 -7.375 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -3.132 0.633 -6.221 1.00 0.00 H new ATOM 0 HG LEU B 26 -2.988 3.610 -5.933 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -4.185 3.121 -3.822 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -5.039 2.470 -5.241 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -4.099 1.383 -4.193 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -1.789 3.325 -3.802 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -1.587 1.594 -4.161 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -0.811 2.815 -5.198 1.00 0.00 H new ATOM 700 N MET B 27 -0.841 -0.583 -8.347 1.00 0.00 N ATOM 701 CA MET B 27 -0.832 -1.573 -9.409 1.00 0.00 C ATOM 702 C MET B 27 -1.735 -2.727 -9.048 1.00 0.00 C ATOM 703 O MET B 27 -2.044 -2.937 -7.880 1.00 0.00 O ATOM 704 CB MET B 27 0.579 -2.082 -9.668 1.00 0.00 C ATOM 705 CG MET B 27 1.508 -0.997 -10.160 1.00 0.00 C ATOM 706 SD MET B 27 3.240 -1.376 -9.887 1.00 0.00 S ATOM 707 CE MET B 27 3.952 0.156 -10.470 1.00 0.00 C ATOM 0 H MET B 27 -0.271 -0.830 -7.538 1.00 0.00 H new ATOM 0 HA MET B 27 -1.199 -1.099 -10.319 1.00 0.00 H new ATOM 0 HB2 MET B 27 0.981 -2.510 -8.750 1.00 0.00 H new ATOM 0 HB3 MET B 27 0.542 -2.885 -10.404 1.00 0.00 H new ATOM 0 HG2 MET B 27 1.340 -0.839 -11.225 1.00 0.00 H new ATOM 0 HG3 MET B 27 1.263 -0.062 -9.657 1.00 0.00 H new ATOM 0 HE1 MET B 27 5.036 0.118 -10.362 1.00 0.00 H new ATOM 0 HE2 MET B 27 3.697 0.299 -11.520 1.00 0.00 H new ATOM 0 HE3 MET B 27 3.558 0.986 -9.884 1.00 0.00 H new ATOM 717 N ALA B 28 -2.109 -3.488 -10.051 1.00 0.00 N ATOM 718 CA ALA B 28 -3.010 -4.617 -9.880 1.00 0.00 C ATOM 719 C ALA B 28 -2.512 -5.625 -8.843 1.00 0.00 C ATOM 720 O ALA B 28 -3.312 -6.296 -8.199 1.00 0.00 O ATOM 721 CB ALA B 28 -3.226 -5.309 -11.216 1.00 0.00 C ATOM 0 H ALA B 28 -1.799 -3.346 -11.012 1.00 0.00 H new ATOM 0 HA ALA B 28 -3.953 -4.220 -9.506 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -3.902 -6.154 -11.083 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -3.661 -4.604 -11.925 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -2.270 -5.666 -11.600 1.00 0.00 H new ATOM 727 N GLU B 29 -1.200 -5.728 -8.672 1.00 0.00 N ATOM 728 CA GLU B 29 -0.646 -6.696 -7.731 1.00 0.00 C ATOM 729 C GLU B 29 -0.009 -6.032 -6.505 1.00 0.00 C ATOM 730 O GLU B 29 0.193 -6.686 -5.470 1.00 0.00 O ATOM 731 CB GLU B 29 0.427 -7.538 -8.428 1.00 0.00 C ATOM 732 CG GLU B 29 0.213 -7.703 -9.926 1.00 0.00 C ATOM 733 CD GLU B 29 1.032 -6.705 -10.724 1.00 0.00 C ATOM 734 OE1 GLU B 29 0.642 -5.521 -10.791 1.00 0.00 O ATOM 735 OE2 GLU B 29 2.095 -7.091 -11.257 1.00 0.00 O ATOM 0 H GLU B 29 -0.508 -5.163 -9.164 1.00 0.00 H new ATOM 0 HA GLU B 29 -1.478 -7.314 -7.392 1.00 0.00 H new ATOM 0 HB2 GLU B 29 1.401 -7.078 -8.260 1.00 0.00 H new ATOM 0 HB3 GLU B 29 0.456 -8.525 -7.965 1.00 0.00 H new ATOM 0 HG2 GLU B 29 0.484 -8.716 -10.223 1.00 0.00 H new ATOM 0 HG3 GLU B 29 -0.844 -7.575 -10.159 1.00 0.00 H new ATOM 742 N ARG B 30 0.280 -4.738 -6.585 1.00 0.00 N ATOM 743 CA ARG B 30 0.960 -4.077 -5.476 1.00 0.00 C ATOM 744 C ARG B 30 0.768 -2.572 -5.481 1.00 0.00 C ATOM 745 O ARG B 30 0.415 -1.979 -6.492 1.00 0.00 O ATOM 746 CB ARG B 30 2.462 -4.379 -5.550 1.00 0.00 C ATOM 747 CG ARG B 30 3.195 -3.564 -6.612 1.00 0.00 C ATOM 748 CD ARG B 30 4.526 -4.193 -6.991 1.00 0.00 C ATOM 749 NE ARG B 30 4.359 -5.539 -7.540 1.00 0.00 N ATOM 750 CZ ARG B 30 3.876 -5.802 -8.758 1.00 0.00 C ATOM 751 NH1 ARG B 30 3.525 -4.814 -9.575 1.00 0.00 N ATOM 752 NH2 ARG B 30 3.748 -7.058 -9.162 1.00 0.00 N ATOM 0 H ARG B 30 0.062 -4.139 -7.382 1.00 0.00 H new ATOM 0 HA ARG B 30 0.522 -4.465 -4.556 1.00 0.00 H new ATOM 0 HB2 ARG B 30 2.913 -4.182 -4.577 1.00 0.00 H new ATOM 0 HB3 ARG B 30 2.601 -5.440 -5.757 1.00 0.00 H new ATOM 0 HG2 ARG B 30 2.568 -3.478 -7.500 1.00 0.00 H new ATOM 0 HG3 ARG B 30 3.364 -2.553 -6.241 1.00 0.00 H new ATOM 0 HD2 ARG B 30 5.030 -3.562 -7.724 1.00 0.00 H new ATOM 0 HD3 ARG B 30 5.170 -4.237 -6.112 1.00 0.00 H new ATOM 0 HE ARG B 30 4.629 -6.329 -6.954 1.00 0.00 H new ATOM 0 HH11 ARG B 30 3.623 -3.844 -9.274 1.00 0.00 H new ATOM 0 HH12 ARG B 30 3.157 -5.026 -10.503 1.00 0.00 H new ATOM 0 HH21 ARG B 30 4.018 -7.823 -8.543 1.00 0.00 H new ATOM 0 HH22 ARG B 30 3.379 -7.260 -10.091 1.00 0.00 H new ATOM 766 N ILE B 31 1.029 -1.968 -4.338 1.00 0.00 N ATOM 767 CA ILE B 31 0.942 -0.530 -4.188 1.00 0.00 C ATOM 768 C ILE B 31 2.354 0.042 -4.248 1.00 0.00 C ATOM 769 O ILE B 31 3.197 -0.265 -3.400 1.00 0.00 O ATOM 770 CB ILE B 31 0.241 -0.128 -2.864 1.00 0.00 C ATOM 771 CG1 ILE B 31 0.644 1.288 -2.440 1.00 0.00 C ATOM 772 CG2 ILE B 31 0.547 -1.130 -1.757 1.00 0.00 C ATOM 773 CD1 ILE B 31 -0.230 1.864 -1.350 1.00 0.00 C ATOM 0 H ILE B 31 1.307 -2.460 -3.489 1.00 0.00 H new ATOM 0 HA ILE B 31 0.335 -0.122 -4.996 1.00 0.00 H new ATOM 0 HB ILE B 31 -0.835 -0.137 -3.040 1.00 0.00 H new ATOM 0 HG12 ILE B 31 1.678 1.275 -2.096 1.00 0.00 H new ATOM 0 HG13 ILE B 31 0.605 1.944 -3.310 1.00 0.00 H new ATOM 0 HG21 ILE B 31 0.043 -0.824 -0.840 1.00 0.00 H new ATOM 0 HG22 ILE B 31 0.194 -2.118 -2.053 1.00 0.00 H new ATOM 0 HG23 ILE B 31 1.623 -1.165 -1.585 1.00 0.00 H new ATOM 0 HD11 ILE B 31 0.114 2.868 -1.101 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.262 1.910 -1.697 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -0.173 1.231 -0.465 1.00 0.00 H new ATOM 785 N ALA B 32 2.626 0.827 -5.278 1.00 0.00 N ATOM 786 CA ALA B 32 3.941 1.417 -5.453 1.00 0.00 C ATOM 787 C ALA B 32 3.880 2.928 -5.302 1.00 0.00 C ATOM 788 O ALA B 32 2.855 3.546 -5.559 1.00 0.00 O ATOM 789 CB ALA B 32 4.517 1.039 -6.811 1.00 0.00 C ATOM 0 H ALA B 32 1.953 1.070 -6.005 1.00 0.00 H new ATOM 0 HA ALA B 32 4.597 1.024 -4.676 1.00 0.00 H new ATOM 0 HB1 ALA B 32 5.503 1.489 -6.926 1.00 0.00 H new ATOM 0 HB2 ALA B 32 4.603 -0.045 -6.881 1.00 0.00 H new ATOM 0 HB3 ALA B 32 3.858 1.402 -7.600 1.00 0.00 H new ATOM 795 N TRP B 33 4.965 3.514 -4.843 1.00 0.00 N ATOM 796 CA TRP B 33 5.033 4.950 -4.665 1.00 0.00 C ATOM 797 C TRP B 33 6.458 5.441 -4.916 1.00 0.00 C ATOM 798 O TRP B 33 7.428 4.763 -4.562 1.00 0.00 O ATOM 799 CB TRP B 33 4.524 5.313 -3.261 1.00 0.00 C ATOM 800 CG TRP B 33 4.722 6.744 -2.861 1.00 0.00 C ATOM 801 CD1 TRP B 33 3.807 7.744 -2.972 1.00 0.00 C ATOM 802 CD2 TRP B 33 5.889 7.332 -2.269 1.00 0.00 C ATOM 803 NE1 TRP B 33 4.330 8.919 -2.506 1.00 0.00 N ATOM 804 CE2 TRP B 33 5.606 8.694 -2.065 1.00 0.00 C ATOM 805 CE3 TRP B 33 7.143 6.843 -1.897 1.00 0.00 C ATOM 806 CZ2 TRP B 33 6.531 9.570 -1.507 1.00 0.00 C ATOM 807 CZ3 TRP B 33 8.061 7.713 -1.341 1.00 0.00 C ATOM 808 CH2 TRP B 33 7.750 9.064 -1.150 1.00 0.00 C ATOM 0 H TRP B 33 5.817 3.016 -4.585 1.00 0.00 H new ATOM 0 HA TRP B 33 4.392 5.452 -5.390 1.00 0.00 H new ATOM 0 HB2 TRP B 33 3.460 5.081 -3.206 1.00 0.00 H new ATOM 0 HB3 TRP B 33 5.027 4.676 -2.534 1.00 0.00 H new ATOM 0 HD1 TRP B 33 2.810 7.627 -3.371 1.00 0.00 H new ATOM 0 HE1 TRP B 33 3.847 9.817 -2.490 1.00 0.00 H new ATOM 0 HE3 TRP B 33 7.391 5.802 -2.042 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 6.295 10.614 -1.361 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 9.034 7.345 -1.049 1.00 0.00 H new ATOM 0 HH2 TRP B 33 8.488 9.720 -0.712 1.00 0.00 H new ATOM 819 N ALA B 34 6.580 6.600 -5.547 1.00 0.00 N ATOM 820 CA ALA B 34 7.881 7.178 -5.849 1.00 0.00 C ATOM 821 C ALA B 34 7.943 8.620 -5.363 1.00 0.00 C ATOM 822 O ALA B 34 6.987 9.373 -5.533 1.00 0.00 O ATOM 823 CB ALA B 34 8.160 7.113 -7.344 1.00 0.00 C ATOM 0 H ALA B 34 5.788 7.161 -5.861 1.00 0.00 H new ATOM 0 HA ALA B 34 8.645 6.600 -5.329 1.00 0.00 H new ATOM 0 HB1 ALA B 34 9.137 7.550 -7.551 1.00 0.00 H new ATOM 0 HB2 ALA B 34 8.151 6.073 -7.671 1.00 0.00 H new ATOM 0 HB3 ALA B 34 7.392 7.669 -7.882 1.00 0.00 H new ATOM 829 N PRO B 35 9.061 9.020 -4.741 1.00 0.00 N ATOM 830 CA PRO B 35 9.235 10.381 -4.231 1.00 0.00 C ATOM 831 C PRO B 35 9.249 11.418 -5.353 1.00 0.00 C ATOM 832 O PRO B 35 9.528 11.095 -6.512 1.00 0.00 O ATOM 833 CB PRO B 35 10.588 10.341 -3.511 1.00 0.00 C ATOM 834 CG PRO B 35 10.904 8.894 -3.338 1.00 0.00 C ATOM 835 CD PRO B 35 10.239 8.183 -4.480 1.00 0.00 C ATOM 0 HA PRO B 35 8.413 10.676 -3.579 1.00 0.00 H new ATOM 0 HB2 PRO B 35 11.359 10.844 -4.095 1.00 0.00 H new ATOM 0 HB3 PRO B 35 10.535 10.849 -2.548 1.00 0.00 H new ATOM 0 HG2 PRO B 35 11.981 8.726 -3.349 1.00 0.00 H new ATOM 0 HG3 PRO B 35 10.534 8.526 -2.381 1.00 0.00 H new ATOM 0 HD2 PRO B 35 10.891 8.119 -5.351 1.00 0.00 H new ATOM 0 HD3 PRO B 35 9.960 7.163 -4.215 1.00 0.00 H new ATOM 843 N GLU B 36 8.953 12.662 -4.998 1.00 0.00 N ATOM 844 CA GLU B 36 8.903 13.756 -5.962 1.00 0.00 C ATOM 845 C GLU B 36 10.213 13.904 -6.731 1.00 0.00 C ATOM 846 O GLU B 36 11.288 14.089 -6.145 1.00 0.00 O ATOM 847 CB GLU B 36 8.566 15.068 -5.254 1.00 0.00 C ATOM 848 CG GLU B 36 8.153 16.178 -6.206 1.00 0.00 C ATOM 849 CD GLU B 36 6.832 16.804 -5.819 1.00 0.00 C ATOM 850 OE1 GLU B 36 5.782 16.365 -6.336 1.00 0.00 O ATOM 851 OE2 GLU B 36 6.831 17.729 -4.979 1.00 0.00 O ATOM 0 H GLU B 36 8.742 12.941 -4.040 1.00 0.00 H new ATOM 0 HA GLU B 36 8.121 13.517 -6.683 1.00 0.00 H new ATOM 0 HB2 GLU B 36 7.760 14.891 -4.542 1.00 0.00 H new ATOM 0 HB3 GLU B 36 9.433 15.396 -4.680 1.00 0.00 H new ATOM 0 HG2 GLU B 36 8.926 16.946 -6.222 1.00 0.00 H new ATOM 0 HG3 GLU B 36 8.081 15.778 -7.217 1.00 0.00 H new ATOM 858 N GLY B 37 10.113 13.799 -8.050 1.00 0.00 N ATOM 859 CA GLY B 37 11.270 13.938 -8.909 1.00 0.00 C ATOM 860 C GLY B 37 12.229 12.769 -8.815 1.00 0.00 C ATOM 861 O GLY B 37 13.440 12.946 -8.955 1.00 0.00 O ATOM 0 H GLY B 37 9.239 13.618 -8.544 1.00 0.00 H new ATOM 0 HA2 GLY B 37 10.937 14.044 -9.941 1.00 0.00 H new ATOM 0 HA3 GLY B 37 11.799 14.855 -8.649 1.00 0.00 H new ATOM 865 N LYS B 38 11.710 11.587 -8.521 1.00 0.00 N ATOM 866 CA LYS B 38 12.546 10.398 -8.432 1.00 0.00 C ATOM 867 C LYS B 38 12.196 9.421 -9.543 1.00 0.00 C ATOM 868 O LYS B 38 11.024 9.195 -9.837 1.00 0.00 O ATOM 869 CB LYS B 38 12.413 9.723 -7.066 1.00 0.00 C ATOM 870 CG LYS B 38 13.477 10.161 -6.068 1.00 0.00 C ATOM 871 CD LYS B 38 13.148 11.512 -5.452 1.00 0.00 C ATOM 872 CE LYS B 38 14.321 12.474 -5.539 1.00 0.00 C ATOM 873 NZ LYS B 38 13.996 13.668 -6.365 1.00 0.00 N ATOM 0 H LYS B 38 10.719 11.425 -8.341 1.00 0.00 H new ATOM 0 HA LYS B 38 13.584 10.709 -8.550 1.00 0.00 H new ATOM 0 HB2 LYS B 38 11.428 9.943 -6.655 1.00 0.00 H new ATOM 0 HB3 LYS B 38 12.470 8.642 -7.196 1.00 0.00 H new ATOM 0 HG2 LYS B 38 13.566 9.414 -5.280 1.00 0.00 H new ATOM 0 HG3 LYS B 38 14.444 10.215 -6.567 1.00 0.00 H new ATOM 0 HD2 LYS B 38 12.286 11.943 -5.961 1.00 0.00 H new ATOM 0 HD3 LYS B 38 12.866 11.376 -4.408 1.00 0.00 H new ATOM 0 HE2 LYS B 38 14.605 12.792 -4.536 1.00 0.00 H new ATOM 0 HE3 LYS B 38 15.182 11.960 -5.966 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 14.656 14.438 -6.136 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 14.081 13.427 -7.373 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 13.023 13.975 -6.164 1.00 0.00 H new ATOM 887 N ASP B 39 13.224 8.860 -10.160 1.00 0.00 N ATOM 888 CA ASP B 39 13.055 7.907 -11.251 1.00 0.00 C ATOM 889 C ASP B 39 12.832 6.492 -10.724 1.00 0.00 C ATOM 890 O ASP B 39 12.364 5.614 -11.448 1.00 0.00 O ATOM 891 CB ASP B 39 14.293 7.935 -12.152 1.00 0.00 C ATOM 892 CG ASP B 39 15.575 7.715 -11.371 1.00 0.00 C ATOM 893 OD1 ASP B 39 16.134 6.603 -11.431 1.00 0.00 O ATOM 894 OD2 ASP B 39 16.019 8.651 -10.668 1.00 0.00 O ATOM 0 H ASP B 39 14.197 9.050 -9.921 1.00 0.00 H new ATOM 0 HA ASP B 39 12.173 8.196 -11.823 1.00 0.00 H new ATOM 0 HB2 ASP B 39 14.200 7.166 -12.919 1.00 0.00 H new ATOM 0 HB3 ASP B 39 14.344 8.894 -12.667 1.00 0.00 H new ATOM 899 N ARG B 40 13.155 6.276 -9.457 1.00 0.00 N ATOM 900 CA ARG B 40 13.003 4.961 -8.847 1.00 0.00 C ATOM 901 C ARG B 40 11.874 4.940 -7.834 1.00 0.00 C ATOM 902 O ARG B 40 11.714 5.878 -7.050 1.00 0.00 O ATOM 903 CB ARG B 40 14.285 4.546 -8.124 1.00 0.00 C ATOM 904 CG ARG B 40 15.483 4.343 -9.025 1.00 0.00 C ATOM 905 CD ARG B 40 16.731 4.927 -8.390 1.00 0.00 C ATOM 906 NE ARG B 40 17.111 6.184 -9.024 1.00 0.00 N ATOM 907 CZ ARG B 40 18.002 7.040 -8.538 1.00 0.00 C ATOM 908 NH1 ARG B 40 18.688 6.747 -7.437 1.00 0.00 N ATOM 909 NH2 ARG B 40 18.208 8.191 -9.165 1.00 0.00 N ATOM 0 H ARG B 40 13.523 6.992 -8.831 1.00 0.00 H new ATOM 0 HA ARG B 40 12.780 4.268 -9.658 1.00 0.00 H new ATOM 0 HB2 ARG B 40 14.530 5.307 -7.383 1.00 0.00 H new ATOM 0 HB3 ARG B 40 14.096 3.620 -7.580 1.00 0.00 H new ATOM 0 HG2 ARG B 40 15.628 3.279 -9.213 1.00 0.00 H new ATOM 0 HG3 ARG B 40 15.304 4.816 -9.990 1.00 0.00 H new ATOM 0 HD2 ARG B 40 16.557 5.092 -7.327 1.00 0.00 H new ATOM 0 HD3 ARG B 40 17.551 4.214 -8.472 1.00 0.00 H new ATOM 0 HE ARG B 40 16.659 6.423 -9.906 1.00 0.00 H new ATOM 0 HH11 ARG B 40 18.531 5.859 -6.960 1.00 0.00 H new ATOM 0 HH12 ARG B 40 19.371 7.410 -7.070 1.00 0.00 H new ATOM 0 HH21 ARG B 40 17.684 8.411 -10.012 1.00 0.00 H new ATOM 0 HH22 ARG B 40 18.890 8.856 -8.800 1.00 0.00 H new ATOM 923 N PHE B 41 11.095 3.871 -7.852 1.00 0.00 N ATOM 924 CA PHE B 41 10.027 3.708 -6.887 1.00 0.00 C ATOM 925 C PHE B 41 10.646 3.137 -5.624 1.00 0.00 C ATOM 926 O PHE B 41 11.242 2.062 -5.657 1.00 0.00 O ATOM 927 CB PHE B 41 8.942 2.758 -7.409 1.00 0.00 C ATOM 928 CG PHE B 41 8.306 3.193 -8.701 1.00 0.00 C ATOM 929 CD1 PHE B 41 7.162 3.972 -8.695 1.00 0.00 C ATOM 930 CD2 PHE B 41 8.847 2.811 -9.919 1.00 0.00 C ATOM 931 CE1 PHE B 41 6.569 4.364 -9.879 1.00 0.00 C ATOM 932 CE2 PHE B 41 8.259 3.202 -11.107 1.00 0.00 C ATOM 933 CZ PHE B 41 7.118 3.980 -11.086 1.00 0.00 C ATOM 0 H PHE B 41 11.184 3.107 -8.522 1.00 0.00 H new ATOM 0 HA PHE B 41 9.550 4.670 -6.697 1.00 0.00 H new ATOM 0 HB2 PHE B 41 9.378 1.769 -7.548 1.00 0.00 H new ATOM 0 HB3 PHE B 41 8.165 2.661 -6.650 1.00 0.00 H new ATOM 0 HD1 PHE B 41 6.728 4.277 -7.754 1.00 0.00 H new ATOM 0 HD2 PHE B 41 9.738 2.201 -9.940 1.00 0.00 H new ATOM 0 HE1 PHE B 41 5.676 4.971 -9.861 1.00 0.00 H new ATOM 0 HE2 PHE B 41 8.691 2.900 -12.050 1.00 0.00 H new ATOM 0 HZ PHE B 41 6.656 4.287 -12.012 1.00 0.00 H new ATOM 943 N THR B 42 10.525 3.847 -4.520 1.00 0.00 N ATOM 944 CA THR B 42 11.110 3.386 -3.275 1.00 0.00 C ATOM 945 C THR B 42 10.075 2.668 -2.420 1.00 0.00 C ATOM 946 O THR B 42 10.397 2.096 -1.379 1.00 0.00 O ATOM 947 CB THR B 42 11.734 4.559 -2.501 1.00 0.00 C ATOM 948 OG1 THR B 42 10.848 5.687 -2.533 1.00 0.00 O ATOM 949 CG2 THR B 42 13.078 4.946 -3.112 1.00 0.00 C ATOM 0 H THR B 42 10.032 4.738 -4.458 1.00 0.00 H new ATOM 0 HA THR B 42 11.900 2.675 -3.516 1.00 0.00 H new ATOM 0 HB THR B 42 11.893 4.250 -1.468 1.00 0.00 H new ATOM 0 HG1 THR B 42 11.248 6.432 -2.037 1.00 0.00 H new ATOM 0 HG21 THR B 42 13.506 5.778 -2.552 1.00 0.00 H new ATOM 0 HG22 THR B 42 13.756 4.093 -3.070 1.00 0.00 H new ATOM 0 HG23 THR B 42 12.933 5.244 -4.151 1.00 0.00 H new ATOM 957 N ILE B 43 8.831 2.702 -2.871 1.00 0.00 N ATOM 958 CA ILE B 43 7.748 2.044 -2.169 1.00 0.00 C ATOM 959 C ILE B 43 7.108 0.995 -3.063 1.00 0.00 C ATOM 960 O ILE B 43 6.591 1.312 -4.133 1.00 0.00 O ATOM 961 CB ILE B 43 6.676 3.052 -1.691 1.00 0.00 C ATOM 962 CG1 ILE B 43 7.190 3.823 -0.475 1.00 0.00 C ATOM 963 CG2 ILE B 43 5.366 2.348 -1.359 1.00 0.00 C ATOM 964 CD1 ILE B 43 7.628 2.931 0.667 1.00 0.00 C ATOM 0 H ILE B 43 8.548 3.182 -3.725 1.00 0.00 H new ATOM 0 HA ILE B 43 8.171 1.564 -1.287 1.00 0.00 H new ATOM 0 HB ILE B 43 6.481 3.754 -2.502 1.00 0.00 H new ATOM 0 HG12 ILE B 43 8.030 4.448 -0.780 1.00 0.00 H new ATOM 0 HG13 ILE B 43 6.406 4.493 -0.122 1.00 0.00 H new ATOM 0 HG21 ILE B 43 4.633 3.082 -1.026 1.00 0.00 H new ATOM 0 HG22 ILE B 43 4.992 1.838 -2.247 1.00 0.00 H new ATOM 0 HG23 ILE B 43 5.535 1.619 -0.566 1.00 0.00 H new ATOM 0 HD11 ILE B 43 7.980 3.546 1.495 1.00 0.00 H new ATOM 0 HD12 ILE B 43 6.785 2.325 0.999 1.00 0.00 H new ATOM 0 HD13 ILE B 43 8.434 2.279 0.331 1.00 0.00 H new ATOM 976 N SER B 44 7.192 -0.250 -2.638 1.00 0.00 N ATOM 977 CA SER B 44 6.609 -1.355 -3.372 1.00 0.00 C ATOM 978 C SER B 44 6.155 -2.421 -2.388 1.00 0.00 C ATOM 979 O SER B 44 6.967 -3.186 -1.868 1.00 0.00 O ATOM 980 CB SER B 44 7.620 -1.934 -4.368 1.00 0.00 C ATOM 981 OG SER B 44 7.061 -3.007 -5.110 1.00 0.00 O ATOM 0 H SER B 44 7.665 -0.524 -1.777 1.00 0.00 H new ATOM 0 HA SER B 44 5.749 -0.999 -3.940 1.00 0.00 H new ATOM 0 HB2 SER B 44 7.950 -1.151 -5.051 1.00 0.00 H new ATOM 0 HB3 SER B 44 8.503 -2.282 -3.832 1.00 0.00 H new ATOM 0 HG SER B 44 7.729 -3.354 -5.737 1.00 0.00 H new ATOM 987 N HIS B 45 4.862 -2.457 -2.119 1.00 0.00 N ATOM 988 CA HIS B 45 4.308 -3.428 -1.189 1.00 0.00 C ATOM 989 C HIS B 45 3.252 -4.262 -1.884 1.00 0.00 C ATOM 990 O HIS B 45 2.344 -3.719 -2.517 1.00 0.00 O ATOM 991 CB HIS B 45 3.684 -2.736 0.029 1.00 0.00 C ATOM 992 CG HIS B 45 4.572 -1.726 0.688 1.00 0.00 C ATOM 993 ND1 HIS B 45 5.562 -2.044 1.591 1.00 0.00 N ATOM 994 CD2 HIS B 45 4.604 -0.378 0.554 1.00 0.00 C ATOM 995 CE1 HIS B 45 6.153 -0.904 1.969 1.00 0.00 C ATOM 996 NE2 HIS B 45 5.610 0.137 1.366 1.00 0.00 N ATOM 0 H HIS B 45 4.175 -1.826 -2.531 1.00 0.00 H new ATOM 0 HA HIS B 45 5.122 -4.067 -0.847 1.00 0.00 H new ATOM 0 HB2 HIS B 45 2.762 -2.244 -0.280 1.00 0.00 H new ATOM 0 HB3 HIS B 45 3.410 -3.495 0.762 1.00 0.00 H new ATOM 0 HD1 HIS B 45 5.802 -2.981 1.914 1.00 0.00 H new ATOM 0 HD2 HIS B 45 3.953 0.204 -0.081 1.00 0.00 H new ATOM 0 HE1 HIS B 45 6.968 -0.844 2.675 1.00 0.00 H new ATOM 1004 N MET B 46 3.365 -5.573 -1.779 1.00 0.00 N ATOM 1005 CA MET B 46 2.396 -6.453 -2.395 1.00 0.00 C ATOM 1006 C MET B 46 1.172 -6.522 -1.505 1.00 0.00 C ATOM 1007 O MET B 46 1.295 -6.537 -0.284 1.00 0.00 O ATOM 1008 CB MET B 46 2.973 -7.857 -2.606 1.00 0.00 C ATOM 1009 CG MET B 46 4.191 -7.898 -3.516 1.00 0.00 C ATOM 1010 SD MET B 46 3.768 -7.769 -5.268 1.00 0.00 S ATOM 1011 CE MET B 46 2.702 -9.197 -5.465 1.00 0.00 C ATOM 0 H MET B 46 4.114 -6.048 -1.276 1.00 0.00 H new ATOM 0 HA MET B 46 2.129 -6.057 -3.375 1.00 0.00 H new ATOM 0 HB2 MET B 46 3.243 -8.277 -1.637 1.00 0.00 H new ATOM 0 HB3 MET B 46 2.197 -8.497 -3.026 1.00 0.00 H new ATOM 0 HG2 MET B 46 4.864 -7.083 -3.250 1.00 0.00 H new ATOM 0 HG3 MET B 46 4.733 -8.828 -3.346 1.00 0.00 H new ATOM 0 HE1 MET B 46 2.770 -9.563 -6.489 1.00 0.00 H new ATOM 0 HE2 MET B 46 3.015 -9.982 -4.777 1.00 0.00 H new ATOM 0 HE3 MET B 46 1.672 -8.915 -5.248 1.00 0.00 H new ATOM 1021 N TYR B 47 -0.003 -6.548 -2.114 1.00 0.00 N ATOM 1022 CA TYR B 47 -1.264 -6.619 -1.365 1.00 0.00 C ATOM 1023 C TYR B 47 -1.282 -7.834 -0.440 1.00 0.00 C ATOM 1024 O TYR B 47 -1.956 -7.836 0.587 1.00 0.00 O ATOM 1025 CB TYR B 47 -2.425 -6.679 -2.355 1.00 0.00 C ATOM 1026 CG TYR B 47 -2.518 -5.441 -3.215 1.00 0.00 C ATOM 1027 CD1 TYR B 47 -2.937 -5.509 -4.535 1.00 0.00 C ATOM 1028 CD2 TYR B 47 -2.174 -4.199 -2.700 1.00 0.00 C ATOM 1029 CE1 TYR B 47 -3.012 -4.371 -5.314 1.00 0.00 C ATOM 1030 CE2 TYR B 47 -2.248 -3.061 -3.471 1.00 0.00 C ATOM 1031 CZ TYR B 47 -2.667 -3.149 -4.774 1.00 0.00 C ATOM 1032 OH TYR B 47 -2.742 -2.010 -5.539 1.00 0.00 O ATOM 0 H TYR B 47 -0.118 -6.521 -3.127 1.00 0.00 H new ATOM 0 HA TYR B 47 -1.362 -5.731 -0.741 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -2.308 -7.554 -2.995 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -3.359 -6.808 -1.807 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -3.208 -6.464 -4.960 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -1.842 -4.124 -1.675 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -3.339 -4.437 -6.341 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -1.977 -2.103 -3.052 1.00 0.00 H new ATOM 0 HH TYR B 47 -2.624 -2.242 -6.484 1.00 0.00 H new ATOM 1042 N ALA B 48 -0.500 -8.841 -0.796 1.00 0.00 N ATOM 1043 CA ALA B 48 -0.419 -10.067 -0.020 1.00 0.00 C ATOM 1044 C ALA B 48 0.302 -9.858 1.315 1.00 0.00 C ATOM 1045 O ALA B 48 0.001 -10.544 2.287 1.00 0.00 O ATOM 1046 CB ALA B 48 0.278 -11.148 -0.832 1.00 0.00 C ATOM 0 H ALA B 48 0.093 -8.832 -1.626 1.00 0.00 H new ATOM 0 HA ALA B 48 -1.437 -10.381 0.209 1.00 0.00 H new ATOM 0 HB1 ALA B 48 0.335 -12.064 -0.244 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -0.286 -11.337 -1.745 1.00 0.00 H new ATOM 0 HB3 ALA B 48 1.285 -10.818 -1.089 1.00 0.00 H new ATOM 1052 N ASP B 49 1.231 -8.898 1.361 1.00 0.00 N ATOM 1053 CA ASP B 49 2.000 -8.619 2.573 1.00 0.00 C ATOM 1054 C ASP B 49 1.291 -7.585 3.429 1.00 0.00 C ATOM 1055 O ASP B 49 1.736 -7.255 4.535 1.00 0.00 O ATOM 1056 CB ASP B 49 3.378 -8.058 2.259 1.00 0.00 C ATOM 1057 CG ASP B 49 3.961 -8.511 0.932 1.00 0.00 C ATOM 1058 OD1 ASP B 49 4.322 -7.629 0.116 1.00 0.00 O ATOM 1059 OD2 ASP B 49 4.062 -9.733 0.697 1.00 0.00 O ATOM 0 H ASP B 49 1.468 -8.300 0.569 1.00 0.00 H new ATOM 0 HA ASP B 49 2.096 -9.571 3.095 1.00 0.00 H new ATOM 0 HB2 ASP B 49 3.321 -6.969 2.263 1.00 0.00 H new ATOM 0 HB3 ASP B 49 4.062 -8.344 3.058 1.00 0.00 H new ATOM 1064 N ILE B 50 0.202 -7.054 2.921 1.00 0.00 N ATOM 1065 CA ILE B 50 -0.551 -6.067 3.661 1.00 0.00 C ATOM 1066 C ILE B 50 -1.566 -6.800 4.536 1.00 0.00 C ATOM 1067 O ILE B 50 -2.301 -7.659 4.048 1.00 0.00 O ATOM 1068 CB ILE B 50 -1.299 -5.096 2.721 1.00 0.00 C ATOM 1069 CG1 ILE B 50 -0.468 -4.772 1.472 1.00 0.00 C ATOM 1070 CG2 ILE B 50 -1.662 -3.819 3.454 1.00 0.00 C ATOM 1071 CD1 ILE B 50 0.741 -3.900 1.728 1.00 0.00 C ATOM 0 H ILE B 50 -0.180 -7.287 2.004 1.00 0.00 H new ATOM 0 HA ILE B 50 0.140 -5.479 4.264 1.00 0.00 H new ATOM 0 HB ILE B 50 -2.215 -5.590 2.397 1.00 0.00 H new ATOM 0 HG12 ILE B 50 -0.136 -5.707 1.020 1.00 0.00 H new ATOM 0 HG13 ILE B 50 -1.110 -4.276 0.744 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -2.188 -3.147 2.776 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -2.305 -4.056 4.301 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -0.754 -3.334 3.812 1.00 0.00 H new ATOM 0 HD11 ILE B 50 1.267 -3.723 0.790 1.00 0.00 H new ATOM 0 HD12 ILE B 50 0.420 -2.947 2.149 1.00 0.00 H new ATOM 0 HD13 ILE B 50 1.408 -4.400 2.430 1.00 0.00 H new ATOM 1083 N LYS B 51 -1.608 -6.493 5.823 1.00 0.00 N ATOM 1084 CA LYS B 51 -2.545 -7.163 6.706 1.00 0.00 C ATOM 1085 C LYS B 51 -3.881 -6.452 6.651 1.00 0.00 C ATOM 1086 O LYS B 51 -4.927 -7.077 6.544 1.00 0.00 O ATOM 1087 CB LYS B 51 -2.050 -7.199 8.151 1.00 0.00 C ATOM 1088 CG LYS B 51 -2.959 -8.017 9.058 1.00 0.00 C ATOM 1089 CD LYS B 51 -3.293 -7.274 10.337 1.00 0.00 C ATOM 1090 CE LYS B 51 -4.799 -7.234 10.588 1.00 0.00 C ATOM 1091 NZ LYS B 51 -5.242 -8.263 11.568 1.00 0.00 N ATOM 0 H LYS B 51 -1.014 -5.796 6.272 1.00 0.00 H new ATOM 0 HA LYS B 51 -2.644 -8.193 6.364 1.00 0.00 H new ATOM 0 HB2 LYS B 51 -1.044 -7.618 8.177 1.00 0.00 H new ATOM 0 HB3 LYS B 51 -1.981 -6.181 8.534 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -3.880 -8.259 8.527 1.00 0.00 H new ATOM 0 HG3 LYS B 51 -2.474 -8.962 9.302 1.00 0.00 H new ATOM 0 HD2 LYS B 51 -2.796 -7.756 11.179 1.00 0.00 H new ATOM 0 HD3 LYS B 51 -2.906 -6.257 10.279 1.00 0.00 H new ATOM 0 HE2 LYS B 51 -5.077 -6.245 10.954 1.00 0.00 H new ATOM 0 HE3 LYS B 51 -5.325 -7.385 9.645 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -6.271 -8.194 11.703 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -5.003 -9.210 11.210 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -4.762 -8.106 12.477 1.00 0.00 H new ATOM 1105 N CYS B 52 -3.810 -5.134 6.685 1.00 0.00 N ATOM 1106 CA CYS B 52 -4.977 -4.286 6.665 1.00 0.00 C ATOM 1107 C CYS B 52 -4.554 -2.882 6.258 1.00 0.00 C ATOM 1108 O CYS B 52 -3.379 -2.645 5.969 1.00 0.00 O ATOM 1109 CB CYS B 52 -5.633 -4.274 8.045 1.00 0.00 C ATOM 1110 SG CYS B 52 -4.490 -3.971 9.414 1.00 0.00 S ATOM 0 H CYS B 52 -2.929 -4.621 6.728 1.00 0.00 H new ATOM 0 HA CYS B 52 -5.704 -4.665 5.947 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -6.408 -3.508 8.059 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -6.128 -5.231 8.207 1.00 0.00 H new ATOM 0 HG CYS B 52 -3.319 -4.450 9.116 1.00 0.00 H new ATOM 1116 N GLN B 53 -5.486 -1.956 6.228 1.00 0.00 N ATOM 1117 CA GLN B 53 -5.168 -0.596 5.846 1.00 0.00 C ATOM 1118 C GLN B 53 -5.959 0.406 6.684 1.00 0.00 C ATOM 1119 O GLN B 53 -7.110 0.149 7.038 1.00 0.00 O ATOM 1120 CB GLN B 53 -5.497 -0.385 4.373 1.00 0.00 C ATOM 1121 CG GLN B 53 -6.937 -0.729 4.034 1.00 0.00 C ATOM 1122 CD GLN B 53 -7.442 -0.038 2.789 1.00 0.00 C ATOM 1123 OE1 GLN B 53 -7.033 1.074 2.460 1.00 0.00 O ATOM 1124 NE2 GLN B 53 -8.347 -0.697 2.091 1.00 0.00 N ATOM 0 H GLN B 53 -6.466 -2.117 6.462 1.00 0.00 H new ATOM 0 HA GLN B 53 -4.104 -0.435 6.018 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -5.305 0.655 4.108 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -4.830 -0.997 3.766 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -7.024 -1.808 3.902 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -7.575 -0.458 4.875 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -8.658 -1.618 2.400 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -8.735 -0.286 1.242 1.00 0.00 H new ATOM 1133 N LYS B 54 -5.347 1.533 7.023 1.00 0.00 N ATOM 1134 CA LYS B 54 -6.048 2.563 7.769 1.00 0.00 C ATOM 1135 C LYS B 54 -6.220 3.782 6.891 1.00 0.00 C ATOM 1136 O LYS B 54 -5.430 4.010 5.977 1.00 0.00 O ATOM 1137 CB LYS B 54 -5.288 3.033 9.007 1.00 0.00 C ATOM 1138 CG LYS B 54 -5.158 2.055 10.148 1.00 0.00 C ATOM 1139 CD LYS B 54 -4.847 2.824 11.423 1.00 0.00 C ATOM 1140 CE LYS B 54 -4.477 1.927 12.597 1.00 0.00 C ATOM 1141 NZ LYS B 54 -3.605 0.787 12.193 1.00 0.00 N ATOM 0 H LYS B 54 -4.378 1.754 6.795 1.00 0.00 H new ATOM 0 HA LYS B 54 -6.995 2.121 8.079 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -4.285 3.326 8.697 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -5.779 3.930 9.385 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -6.081 1.488 10.266 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -4.366 1.335 9.939 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -4.026 3.515 11.231 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -5.713 3.427 11.695 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -3.966 2.520 13.356 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -5.387 1.539 13.055 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -3.111 0.414 13.029 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -4.188 0.036 11.772 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -2.906 1.115 11.496 1.00 0.00 H new ATOM 1155 N ILE B 55 -7.243 4.563 7.162 1.00 0.00 N ATOM 1156 CA ILE B 55 -7.459 5.792 6.430 1.00 0.00 C ATOM 1157 C ILE B 55 -7.729 6.896 7.445 1.00 0.00 C ATOM 1158 O ILE B 55 -8.569 6.739 8.330 1.00 0.00 O ATOM 1159 CB ILE B 55 -8.603 5.691 5.373 1.00 0.00 C ATOM 1160 CG1 ILE B 55 -9.970 6.086 5.937 1.00 0.00 C ATOM 1161 CG2 ILE B 55 -8.681 4.281 4.806 1.00 0.00 C ATOM 1162 CD1 ILE B 55 -10.822 6.838 4.936 1.00 0.00 C ATOM 0 H ILE B 55 -7.938 4.369 7.883 1.00 0.00 H new ATOM 0 HA ILE B 55 -6.565 6.015 5.848 1.00 0.00 H new ATOM 0 HB ILE B 55 -8.355 6.400 4.583 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -10.500 5.188 6.256 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -9.828 6.704 6.823 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -9.484 4.228 4.071 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -7.734 4.028 4.328 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -8.881 3.575 5.612 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -11.779 7.092 5.391 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -10.309 7.752 4.635 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -10.992 6.212 4.060 1.00 0.00 H new ATOM 1174 N SER B 56 -6.968 7.974 7.383 1.00 0.00 N ATOM 1175 CA SER B 56 -7.159 9.057 8.321 1.00 0.00 C ATOM 1176 C SER B 56 -8.176 10.024 7.740 1.00 0.00 C ATOM 1177 O SER B 56 -7.947 10.647 6.682 1.00 0.00 O ATOM 1178 CB SER B 56 -5.836 9.741 8.680 1.00 0.00 C ATOM 1179 OG SER B 56 -5.541 10.824 7.828 1.00 0.00 O ATOM 0 H SER B 56 -6.223 8.119 6.702 1.00 0.00 H new ATOM 0 HA SER B 56 -7.544 8.663 9.262 1.00 0.00 H new ATOM 0 HB2 SER B 56 -5.881 10.095 9.710 1.00 0.00 H new ATOM 0 HB3 SER B 56 -5.028 9.012 8.629 1.00 0.00 H new ATOM 0 HG SER B 56 -4.723 11.268 8.135 1.00 0.00 H new ATOM 1185 N PRO B 57 -9.315 10.115 8.443 1.00 0.00 N ATOM 1186 CA PRO B 57 -10.479 10.928 8.066 1.00 0.00 C ATOM 1187 C PRO B 57 -10.233 12.426 8.067 1.00 0.00 C ATOM 1188 O PRO B 57 -9.169 12.909 8.463 1.00 0.00 O ATOM 1189 CB PRO B 57 -11.508 10.583 9.152 1.00 0.00 C ATOM 1190 CG PRO B 57 -10.681 10.174 10.321 1.00 0.00 C ATOM 1191 CD PRO B 57 -9.535 9.426 9.728 1.00 0.00 C ATOM 0 HA PRO B 57 -10.781 10.707 7.042 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -12.138 11.440 9.390 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -12.171 9.779 8.832 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -10.339 11.040 10.887 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -11.249 9.548 11.009 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -8.652 9.470 10.365 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -9.773 8.372 9.585 1.00 0.00 H new ATOM 1199 N GLU B 58 -11.234 13.146 7.579 1.00 0.00 N ATOM 1200 CA GLU B 58 -11.201 14.591 7.535 1.00 0.00 C ATOM 1201 C GLU B 58 -11.121 15.141 8.957 1.00 0.00 C ATOM 1202 O GLU B 58 -11.493 14.466 9.917 1.00 0.00 O ATOM 1203 CB GLU B 58 -12.441 15.133 6.812 1.00 0.00 C ATOM 1204 CG GLU B 58 -12.385 14.988 5.293 1.00 0.00 C ATOM 1205 CD GLU B 58 -12.862 13.632 4.792 1.00 0.00 C ATOM 1206 OE1 GLU B 58 -12.252 12.605 5.162 1.00 0.00 O ATOM 1207 OE2 GLU B 58 -13.834 13.592 4.010 1.00 0.00 O ATOM 0 H GLU B 58 -12.090 12.739 7.203 1.00 0.00 H new ATOM 0 HA GLU B 58 -10.320 14.914 6.980 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -13.323 14.612 7.184 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -12.564 16.187 7.062 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -12.995 15.769 4.839 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -11.360 15.150 4.959 1.00 0.00 H new ATOM 1214 N GLY B 59 -10.659 16.368 9.081 1.00 0.00 N ATOM 1215 CA GLY B 59 -10.497 16.976 10.384 1.00 0.00 C ATOM 1216 C GLY B 59 -9.034 17.201 10.665 1.00 0.00 C ATOM 1217 O GLY B 59 -8.658 18.129 11.381 1.00 0.00 O ATOM 0 H GLY B 59 -10.390 16.962 8.297 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -11.034 17.924 10.422 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -10.929 16.334 11.151 1.00 0.00 H new ATOM 1221 N LYS B 60 -8.207 16.343 10.081 1.00 0.00 N ATOM 1222 CA LYS B 60 -6.767 16.468 10.194 1.00 0.00 C ATOM 1223 C LYS B 60 -6.306 17.478 9.172 1.00 0.00 C ATOM 1224 O LYS B 60 -6.988 17.709 8.169 1.00 0.00 O ATOM 1225 CB LYS B 60 -6.058 15.127 9.941 1.00 0.00 C ATOM 1226 CG LYS B 60 -5.841 14.289 11.191 1.00 0.00 C ATOM 1227 CD LYS B 60 -4.811 13.180 10.962 1.00 0.00 C ATOM 1228 CE LYS B 60 -4.244 12.646 12.274 1.00 0.00 C ATOM 1229 NZ LYS B 60 -4.800 13.348 13.459 1.00 0.00 N ATOM 0 H LYS B 60 -8.516 15.549 9.521 1.00 0.00 H new ATOM 0 HA LYS B 60 -6.517 16.786 11.206 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -6.644 14.548 9.227 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -5.092 15.322 9.476 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -5.508 14.932 12.006 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -6.788 13.847 11.501 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -5.275 12.363 10.409 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -3.998 13.562 10.345 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -4.459 11.580 12.352 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -3.159 12.753 12.268 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -4.463 12.884 14.327 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -4.488 14.340 13.453 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -5.839 13.312 13.428 1.00 0.00 H new ATOM 1243 N ALA B 61 -5.165 18.081 9.417 1.00 0.00 N ATOM 1244 CA ALA B 61 -4.628 19.058 8.493 1.00 0.00 C ATOM 1245 C ALA B 61 -4.104 18.350 7.269 1.00 0.00 C ATOM 1246 O ALA B 61 -3.912 18.947 6.211 1.00 0.00 O ATOM 1247 CB ALA B 61 -3.519 19.842 9.151 1.00 0.00 C ATOM 0 H ALA B 61 -4.592 17.914 10.244 1.00 0.00 H new ATOM 0 HA ALA B 61 -5.417 19.751 8.202 1.00 0.00 H new ATOM 0 HB1 ALA B 61 -3.123 20.573 8.447 1.00 0.00 H new ATOM 0 HB2 ALA B 61 -3.909 20.358 10.029 1.00 0.00 H new ATOM 0 HB3 ALA B 61 -2.723 19.162 9.454 1.00 0.00 H new ATOM 1253 N LYS B 62 -3.881 17.064 7.434 1.00 0.00 N ATOM 1254 CA LYS B 62 -3.372 16.247 6.371 1.00 0.00 C ATOM 1255 C LYS B 62 -4.146 14.938 6.266 1.00 0.00 C ATOM 1256 O LYS B 62 -4.191 14.155 7.216 1.00 0.00 O ATOM 1257 CB LYS B 62 -1.891 15.968 6.606 1.00 0.00 C ATOM 1258 CG LYS B 62 -1.479 16.032 8.066 1.00 0.00 C ATOM 1259 CD LYS B 62 0.004 15.774 8.231 1.00 0.00 C ATOM 1260 CE LYS B 62 0.339 14.321 7.963 1.00 0.00 C ATOM 1261 NZ LYS B 62 1.654 14.169 7.297 1.00 0.00 N ATOM 0 H LYS B 62 -4.049 16.564 8.307 1.00 0.00 H new ATOM 0 HA LYS B 62 -3.495 16.784 5.431 1.00 0.00 H new ATOM 0 HB2 LYS B 62 -1.650 14.980 6.213 1.00 0.00 H new ATOM 0 HB3 LYS B 62 -1.301 16.689 6.040 1.00 0.00 H new ATOM 0 HG2 LYS B 62 -1.727 17.012 8.474 1.00 0.00 H new ATOM 0 HG3 LYS B 62 -2.044 15.296 8.638 1.00 0.00 H new ATOM 0 HD2 LYS B 62 0.565 16.412 7.548 1.00 0.00 H new ATOM 0 HD3 LYS B 62 0.312 16.041 9.242 1.00 0.00 H new ATOM 0 HE2 LYS B 62 0.343 13.770 8.904 1.00 0.00 H new ATOM 0 HE3 LYS B 62 -0.437 13.879 7.338 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 1.868 13.158 7.178 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 1.626 14.630 6.365 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 2.392 14.612 7.880 1.00 0.00 H new ATOM 1275 N ILE B 63 -4.768 14.712 5.116 1.00 0.00 N ATOM 1276 CA ILE B 63 -5.518 13.484 4.881 1.00 0.00 C ATOM 1277 C ILE B 63 -4.527 12.340 4.699 1.00 0.00 C ATOM 1278 O ILE B 63 -3.545 12.489 3.974 1.00 0.00 O ATOM 1279 CB ILE B 63 -6.428 13.619 3.641 1.00 0.00 C ATOM 1280 CG1 ILE B 63 -7.472 14.712 3.874 1.00 0.00 C ATOM 1281 CG2 ILE B 63 -7.110 12.301 3.325 1.00 0.00 C ATOM 1282 CD1 ILE B 63 -7.221 15.978 3.084 1.00 0.00 C ATOM 0 H ILE B 63 -4.768 15.363 4.331 1.00 0.00 H new ATOM 0 HA ILE B 63 -6.164 13.283 5.736 1.00 0.00 H new ATOM 0 HB ILE B 63 -5.808 13.895 2.788 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -8.456 14.322 3.614 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -7.497 14.957 4.936 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -7.746 12.421 2.448 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -6.356 11.540 3.125 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -7.719 11.994 4.175 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -8.003 16.705 3.303 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -6.252 16.394 3.361 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -7.226 15.749 2.018 1.00 0.00 H new ATOM 1294 N GLN B 64 -4.762 11.199 5.339 1.00 0.00 N ATOM 1295 CA GLN B 64 -3.790 10.107 5.251 1.00 0.00 C ATOM 1296 C GLN B 64 -4.403 8.740 5.060 1.00 0.00 C ATOM 1297 O GLN B 64 -5.594 8.524 5.251 1.00 0.00 O ATOM 1298 CB GLN B 64 -2.946 10.010 6.517 1.00 0.00 C ATOM 1299 CG GLN B 64 -2.245 11.276 6.942 1.00 0.00 C ATOM 1300 CD GLN B 64 -1.738 11.155 8.360 1.00 0.00 C ATOM 1301 OE1 GLN B 64 -0.687 11.687 8.701 1.00 0.00 O ATOM 1302 NE2 GLN B 64 -2.484 10.437 9.197 1.00 0.00 N ATOM 0 H GLN B 64 -5.587 11.006 5.907 1.00 0.00 H new ATOM 0 HA GLN B 64 -3.197 10.363 4.373 1.00 0.00 H new ATOM 0 HB2 GLN B 64 -3.589 9.682 7.334 1.00 0.00 H new ATOM 0 HB3 GLN B 64 -2.195 9.234 6.371 1.00 0.00 H new ATOM 0 HG2 GLN B 64 -1.412 11.480 6.269 1.00 0.00 H new ATOM 0 HG3 GLN B 64 -2.930 12.120 6.866 1.00 0.00 H new ATOM 0 HE21 GLN B 64 -3.352 10.012 8.870 1.00 0.00 H new ATOM 0 HE22 GLN B 64 -2.188 10.312 10.165 1.00 0.00 H new ATOM 1311 N LEU B 65 -3.544 7.840 4.641 1.00 0.00 N ATOM 1312 CA LEU B 65 -3.862 6.446 4.474 1.00 0.00 C ATOM 1313 C LEU B 65 -2.667 5.674 5.014 1.00 0.00 C ATOM 1314 O LEU B 65 -1.572 6.218 5.036 1.00 0.00 O ATOM 1315 CB LEU B 65 -4.055 6.099 3.006 1.00 0.00 C ATOM 1316 CG LEU B 65 -5.029 4.960 2.739 1.00 0.00 C ATOM 1317 CD1 LEU B 65 -6.428 5.505 2.532 1.00 0.00 C ATOM 1318 CD2 LEU B 65 -4.577 4.139 1.551 1.00 0.00 C ATOM 0 H LEU B 65 -2.579 8.066 4.401 1.00 0.00 H new ATOM 0 HA LEU B 65 -4.788 6.201 4.995 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -4.405 6.988 2.481 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -3.087 5.837 2.579 1.00 0.00 H new ATOM 0 HG LEU B 65 -5.047 4.302 3.608 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -7.115 4.681 2.342 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -6.745 6.043 3.426 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -6.431 6.184 1.679 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -5.286 3.330 1.377 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -4.527 4.775 0.667 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -3.591 3.720 1.752 1.00 0.00 H new ATOM 1330 N GLN B 66 -2.841 4.455 5.487 1.00 0.00 N ATOM 1331 CA GLN B 66 -1.691 3.713 5.983 1.00 0.00 C ATOM 1332 C GLN B 66 -1.816 2.232 5.686 1.00 0.00 C ATOM 1333 O GLN B 66 -2.891 1.642 5.802 1.00 0.00 O ATOM 1334 CB GLN B 66 -1.463 3.940 7.486 1.00 0.00 C ATOM 1335 CG GLN B 66 -2.161 2.949 8.399 1.00 0.00 C ATOM 1336 CD GLN B 66 -1.752 3.082 9.858 1.00 0.00 C ATOM 1337 OE1 GLN B 66 -1.753 2.104 10.605 1.00 0.00 O ATOM 1338 NE2 GLN B 66 -1.411 4.287 10.281 1.00 0.00 N ATOM 0 H GLN B 66 -3.735 3.967 5.540 1.00 0.00 H new ATOM 0 HA GLN B 66 -0.820 4.098 5.452 1.00 0.00 H new ATOM 0 HB2 GLN B 66 -0.392 3.902 7.685 1.00 0.00 H new ATOM 0 HB3 GLN B 66 -1.799 4.945 7.741 1.00 0.00 H new ATOM 0 HG2 GLN B 66 -3.239 3.088 8.317 1.00 0.00 H new ATOM 0 HG3 GLN B 66 -1.943 1.937 8.059 1.00 0.00 H new ATOM 0 HE21 GLN B 66 -1.421 5.076 9.635 1.00 0.00 H new ATOM 0 HE22 GLN B 66 -1.138 4.428 11.254 1.00 0.00 H new ATOM 1347 N LEU B 67 -0.709 1.650 5.282 1.00 0.00 N ATOM 1348 CA LEU B 67 -0.646 0.240 4.977 1.00 0.00 C ATOM 1349 C LEU B 67 -0.175 -0.529 6.194 1.00 0.00 C ATOM 1350 O LEU B 67 0.997 -0.473 6.549 1.00 0.00 O ATOM 1351 CB LEU B 67 0.320 -0.009 3.829 1.00 0.00 C ATOM 1352 CG LEU B 67 -0.101 0.547 2.475 1.00 0.00 C ATOM 1353 CD1 LEU B 67 1.007 0.319 1.463 1.00 0.00 C ATOM 1354 CD2 LEU B 67 -1.393 -0.101 2.006 1.00 0.00 C ATOM 0 H LEU B 67 0.175 2.143 5.156 1.00 0.00 H new ATOM 0 HA LEU B 67 -1.642 -0.097 4.690 1.00 0.00 H new ATOM 0 HB2 LEU B 67 1.286 0.421 4.093 1.00 0.00 H new ATOM 0 HB3 LEU B 67 0.466 -1.085 3.729 1.00 0.00 H new ATOM 0 HG LEU B 67 -0.279 1.618 2.573 1.00 0.00 H new ATOM 0 HD11 LEU B 67 0.703 0.718 0.495 1.00 0.00 H new ATOM 0 HD12 LEU B 67 1.913 0.825 1.796 1.00 0.00 H new ATOM 0 HD13 LEU B 67 1.201 -0.750 1.371 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -1.676 0.311 1.037 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -1.248 -1.177 1.915 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -2.184 0.098 2.729 1.00 0.00 H new ATOM 1366 N VAL B 68 -1.082 -1.226 6.841 1.00 0.00 N ATOM 1367 CA VAL B 68 -0.734 -2.001 8.013 1.00 0.00 C ATOM 1368 C VAL B 68 -0.375 -3.410 7.580 1.00 0.00 C ATOM 1369 O VAL B 68 -1.224 -4.163 7.114 1.00 0.00 O ATOM 1370 CB VAL B 68 -1.884 -2.018 9.026 1.00 0.00 C ATOM 1371 CG1 VAL B 68 -1.396 -2.483 10.383 1.00 0.00 C ATOM 1372 CG2 VAL B 68 -2.504 -0.636 9.122 1.00 0.00 C ATOM 0 H VAL B 68 -2.066 -1.273 6.576 1.00 0.00 H new ATOM 0 HA VAL B 68 0.123 -1.542 8.506 1.00 0.00 H new ATOM 0 HB VAL B 68 -2.644 -2.721 8.685 1.00 0.00 H new ATOM 0 HG11 VAL B 68 -2.228 -2.488 11.087 1.00 0.00 H new ATOM 0 HG12 VAL B 68 -0.988 -3.490 10.297 1.00 0.00 H new ATOM 0 HG13 VAL B 68 -0.621 -1.806 10.742 1.00 0.00 H new ATOM 0 HG21 VAL B 68 -3.321 -0.653 9.843 1.00 0.00 H new ATOM 0 HG22 VAL B 68 -1.749 0.080 9.446 1.00 0.00 H new ATOM 0 HG23 VAL B 68 -2.888 -0.341 8.146 1.00 0.00 H new ATOM 1382 N LEU B 69 0.886 -3.759 7.719 1.00 0.00 N ATOM 1383 CA LEU B 69 1.365 -5.059 7.277 1.00 0.00 C ATOM 1384 C LEU B 69 1.503 -6.039 8.423 1.00 0.00 C ATOM 1385 O LEU B 69 1.630 -5.643 9.581 1.00 0.00 O ATOM 1386 CB LEU B 69 2.718 -4.892 6.598 1.00 0.00 C ATOM 1387 CG LEU B 69 2.909 -3.544 5.917 1.00 0.00 C ATOM 1388 CD1 LEU B 69 4.315 -3.404 5.397 1.00 0.00 C ATOM 1389 CD2 LEU B 69 1.920 -3.374 4.786 1.00 0.00 C ATOM 0 H LEU B 69 1.602 -3.163 8.135 1.00 0.00 H new ATOM 0 HA LEU B 69 0.629 -5.462 6.581 1.00 0.00 H new ATOM 0 HB2 LEU B 69 3.504 -5.027 7.341 1.00 0.00 H new ATOM 0 HB3 LEU B 69 2.841 -5.682 5.857 1.00 0.00 H new ATOM 0 HG LEU B 69 2.732 -2.764 6.658 1.00 0.00 H new ATOM 0 HD11 LEU B 69 4.429 -2.433 4.914 1.00 0.00 H new ATOM 0 HD12 LEU B 69 5.019 -3.482 6.226 1.00 0.00 H new ATOM 0 HD13 LEU B 69 4.516 -4.195 4.674 1.00 0.00 H new ATOM 0 HD21 LEU B 69 2.073 -2.404 4.312 1.00 0.00 H new ATOM 0 HD22 LEU B 69 2.069 -4.165 4.051 1.00 0.00 H new ATOM 0 HD23 LEU B 69 0.905 -3.430 5.179 1.00 0.00 H new ATOM 1401 N HIS B 70 1.500 -7.325 8.090 1.00 0.00 N ATOM 1402 CA HIS B 70 1.665 -8.363 9.100 1.00 0.00 C ATOM 1403 C HIS B 70 3.135 -8.449 9.478 1.00 0.00 C ATOM 1404 O HIS B 70 3.523 -9.155 10.403 1.00 0.00 O ATOM 1405 CB HIS B 70 1.169 -9.739 8.622 1.00 0.00 C ATOM 1406 CG HIS B 70 0.998 -9.864 7.141 1.00 0.00 C ATOM 1407 ND1 HIS B 70 -0.195 -9.652 6.497 1.00 0.00 N ATOM 1408 CD2 HIS B 70 1.895 -10.174 6.166 1.00 0.00 C ATOM 1409 CE1 HIS B 70 0.012 -9.828 5.192 1.00 0.00 C ATOM 1410 NE2 HIS B 70 1.256 -10.156 4.948 1.00 0.00 N ATOM 0 H HIS B 70 1.386 -7.671 7.137 1.00 0.00 H new ATOM 0 HA HIS B 70 1.058 -8.090 9.963 1.00 0.00 H new ATOM 0 HB2 HIS B 70 1.873 -10.500 8.958 1.00 0.00 H new ATOM 0 HB3 HIS B 70 0.215 -9.953 9.103 1.00 0.00 H new ATOM 0 HD1 HIS B 70 -1.081 -9.404 6.938 1.00 0.00 H new ATOM 0 HD2 HIS B 70 2.940 -10.398 6.323 1.00 0.00 H new ATOM 0 HE1 HIS B 70 -0.748 -9.715 4.434 1.00 0.00 H new ATOM 1418 N ALA B 71 3.940 -7.700 8.732 1.00 0.00 N ATOM 1419 CA ALA B 71 5.374 -7.633 8.943 1.00 0.00 C ATOM 1420 C ALA B 71 5.698 -6.833 10.202 1.00 0.00 C ATOM 1421 O ALA B 71 6.846 -6.777 10.636 1.00 0.00 O ATOM 1422 CB ALA B 71 6.033 -6.998 7.725 1.00 0.00 C ATOM 0 H ALA B 71 3.610 -7.120 7.960 1.00 0.00 H new ATOM 0 HA ALA B 71 5.762 -8.643 9.079 1.00 0.00 H new ATOM 0 HB1 ALA B 71 7.111 -6.946 7.880 1.00 0.00 H new ATOM 0 HB2 ALA B 71 5.822 -7.601 6.842 1.00 0.00 H new ATOM 0 HB3 ALA B 71 5.638 -5.992 7.581 1.00 0.00 H new ATOM 1428 N GLY B 72 4.672 -6.216 10.779 1.00 0.00 N ATOM 1429 CA GLY B 72 4.857 -5.424 11.976 1.00 0.00 C ATOM 1430 C GLY B 72 5.159 -3.978 11.652 1.00 0.00 C ATOM 1431 O GLY B 72 5.604 -3.220 12.512 1.00 0.00 O ATOM 0 H GLY B 72 3.712 -6.252 10.435 1.00 0.00 H new ATOM 0 HA2 GLY B 72 3.958 -5.479 12.590 1.00 0.00 H new ATOM 0 HA3 GLY B 72 5.673 -5.842 12.566 1.00 0.00 H new ATOM 1435 N ASP B 73 4.906 -3.597 10.408 1.00 0.00 N ATOM 1436 CA ASP B 73 5.164 -2.231 9.960 1.00 0.00 C ATOM 1437 C ASP B 73 3.921 -1.620 9.336 1.00 0.00 C ATOM 1438 O ASP B 73 3.032 -2.332 8.864 1.00 0.00 O ATOM 1439 CB ASP B 73 6.328 -2.191 8.959 1.00 0.00 C ATOM 1440 CG ASP B 73 6.561 -0.799 8.383 1.00 0.00 C ATOM 1441 OD1 ASP B 73 6.759 0.153 9.171 1.00 0.00 O ATOM 1442 OD2 ASP B 73 6.531 -0.655 7.142 1.00 0.00 O ATOM 0 H ASP B 73 4.523 -4.212 9.690 1.00 0.00 H new ATOM 0 HA ASP B 73 5.439 -1.643 10.836 1.00 0.00 H new ATOM 0 HB2 ASP B 73 7.238 -2.533 9.452 1.00 0.00 H new ATOM 0 HB3 ASP B 73 6.126 -2.887 8.145 1.00 0.00 H new ATOM 1447 N THR B 74 3.862 -0.303 9.360 1.00 0.00 N ATOM 1448 CA THR B 74 2.758 0.430 8.786 1.00 0.00 C ATOM 1449 C THR B 74 3.307 1.520 7.873 1.00 0.00 C ATOM 1450 O THR B 74 4.206 2.265 8.260 1.00 0.00 O ATOM 1451 CB THR B 74 1.876 1.067 9.876 1.00 0.00 C ATOM 1452 OG1 THR B 74 2.692 1.791 10.806 1.00 0.00 O ATOM 1453 CG2 THR B 74 1.078 0.011 10.623 1.00 0.00 C ATOM 0 H THR B 74 4.581 0.287 9.779 1.00 0.00 H new ATOM 0 HA THR B 74 2.140 -0.266 8.219 1.00 0.00 H new ATOM 0 HB THR B 74 1.179 1.748 9.388 1.00 0.00 H new ATOM 0 HG1 THR B 74 3.377 2.294 10.318 1.00 0.00 H new ATOM 0 HG21 THR B 74 0.465 0.490 11.386 1.00 0.00 H new ATOM 0 HG22 THR B 74 0.435 -0.522 9.923 1.00 0.00 H new ATOM 0 HG23 THR B 74 1.761 -0.694 11.097 1.00 0.00 H new ATOM 1461 N THR B 75 2.771 1.604 6.672 1.00 0.00 N ATOM 1462 CA THR B 75 3.219 2.584 5.698 1.00 0.00 C ATOM 1463 C THR B 75 2.207 3.723 5.542 1.00 0.00 C ATOM 1464 O THR B 75 1.156 3.541 4.930 1.00 0.00 O ATOM 1465 CB THR B 75 3.437 1.895 4.337 1.00 0.00 C ATOM 1466 OG1 THR B 75 4.092 0.632 4.536 1.00 0.00 O ATOM 1467 CG2 THR B 75 4.274 2.763 3.409 1.00 0.00 C ATOM 0 H THR B 75 2.018 1.000 6.343 1.00 0.00 H new ATOM 0 HA THR B 75 4.156 3.012 6.054 1.00 0.00 H new ATOM 0 HB THR B 75 2.463 1.739 3.873 1.00 0.00 H new ATOM 0 HG1 THR B 75 4.229 0.194 3.670 1.00 0.00 H new ATOM 0 HG21 THR B 75 4.411 2.251 2.457 1.00 0.00 H new ATOM 0 HG22 THR B 75 3.765 3.712 3.241 1.00 0.00 H new ATOM 0 HG23 THR B 75 5.247 2.949 3.864 1.00 0.00 H new ATOM 1475 N ASN B 76 2.516 4.891 6.100 1.00 0.00 N ATOM 1476 CA ASN B 76 1.619 6.042 6.002 1.00 0.00 C ATOM 1477 C ASN B 76 1.783 6.773 4.685 1.00 0.00 C ATOM 1478 O ASN B 76 2.895 6.982 4.198 1.00 0.00 O ATOM 1479 CB ASN B 76 1.838 7.047 7.141 1.00 0.00 C ATOM 1480 CG ASN B 76 0.964 6.789 8.352 1.00 0.00 C ATOM 1481 OD1 ASN B 76 0.571 5.659 8.625 1.00 0.00 O ATOM 1482 ND2 ASN B 76 0.657 7.840 9.099 1.00 0.00 N ATOM 0 H ASN B 76 3.375 5.066 6.622 1.00 0.00 H new ATOM 0 HA ASN B 76 0.611 5.633 6.072 1.00 0.00 H new ATOM 0 HB2 ASN B 76 2.884 7.017 7.445 1.00 0.00 H new ATOM 0 HB3 ASN B 76 1.643 8.053 6.770 1.00 0.00 H new ATOM 0 HD21 ASN B 76 0.077 7.723 9.930 1.00 0.00 H new ATOM 0 HD22 ASN B 76 1.001 8.766 8.843 1.00 0.00 H new ATOM 1489 N PHE B 77 0.653 7.148 4.120 1.00 0.00 N ATOM 1490 CA PHE B 77 0.602 7.886 2.881 1.00 0.00 C ATOM 1491 C PHE B 77 -0.216 9.147 3.098 1.00 0.00 C ATOM 1492 O PHE B 77 -1.446 9.107 3.176 1.00 0.00 O ATOM 1493 CB PHE B 77 -0.001 7.033 1.765 1.00 0.00 C ATOM 1494 CG PHE B 77 0.951 6.000 1.237 1.00 0.00 C ATOM 1495 CD1 PHE B 77 2.106 6.383 0.575 1.00 0.00 C ATOM 1496 CD2 PHE B 77 0.694 4.651 1.403 1.00 0.00 C ATOM 1497 CE1 PHE B 77 2.986 5.439 0.088 1.00 0.00 C ATOM 1498 CE2 PHE B 77 1.571 3.703 0.917 1.00 0.00 C ATOM 1499 CZ PHE B 77 2.719 4.098 0.258 1.00 0.00 C ATOM 0 H PHE B 77 -0.265 6.945 4.516 1.00 0.00 H new ATOM 0 HA PHE B 77 1.613 8.155 2.575 1.00 0.00 H new ATOM 0 HB2 PHE B 77 -0.897 6.537 2.138 1.00 0.00 H new ATOM 0 HB3 PHE B 77 -0.314 7.682 0.947 1.00 0.00 H new ATOM 0 HD1 PHE B 77 2.320 7.433 0.439 1.00 0.00 H new ATOM 0 HD2 PHE B 77 -0.202 4.337 1.918 1.00 0.00 H new ATOM 0 HE1 PHE B 77 3.883 5.751 -0.426 1.00 0.00 H new ATOM 0 HE2 PHE B 77 1.360 2.652 1.052 1.00 0.00 H new ATOM 0 HZ PHE B 77 3.406 3.357 -0.123 1.00 0.00 H new ATOM 1509 N HIS B 78 0.484 10.253 3.234 1.00 0.00 N ATOM 1510 CA HIS B 78 -0.132 11.542 3.460 1.00 0.00 C ATOM 1511 C HIS B 78 -0.493 12.191 2.134 1.00 0.00 C ATOM 1512 O HIS B 78 0.370 12.488 1.319 1.00 0.00 O ATOM 1513 CB HIS B 78 0.840 12.419 4.267 1.00 0.00 C ATOM 1514 CG HIS B 78 0.617 13.904 4.177 1.00 0.00 C ATOM 1515 ND1 HIS B 78 1.632 14.832 4.272 1.00 0.00 N ATOM 1516 CD2 HIS B 78 -0.522 14.621 3.997 1.00 0.00 C ATOM 1517 CE1 HIS B 78 1.093 16.051 4.150 1.00 0.00 C ATOM 1518 NE2 HIS B 78 -0.210 15.977 3.981 1.00 0.00 N ATOM 0 H HIS B 78 1.503 10.283 3.191 1.00 0.00 H new ATOM 0 HA HIS B 78 -1.055 11.423 4.027 1.00 0.00 H new ATOM 0 HB2 HIS B 78 0.779 12.125 5.315 1.00 0.00 H new ATOM 0 HB3 HIS B 78 1.855 12.203 3.934 1.00 0.00 H new ATOM 0 HD2 HIS B 78 -1.512 14.205 3.884 1.00 0.00 H new ATOM 0 HE1 HIS B 78 1.653 16.974 4.186 1.00 0.00 H new ATOM 0 HE2 HIS B 78 -0.859 16.755 3.862 1.00 0.00 H new ATOM 1526 N PHE B 79 -1.773 12.404 1.932 1.00 0.00 N ATOM 1527 CA PHE B 79 -2.260 13.025 0.719 1.00 0.00 C ATOM 1528 C PHE B 79 -2.157 14.543 0.844 1.00 0.00 C ATOM 1529 O PHE B 79 -3.041 15.187 1.412 1.00 0.00 O ATOM 1530 CB PHE B 79 -3.708 12.608 0.471 1.00 0.00 C ATOM 1531 CG PHE B 79 -3.859 11.184 0.022 1.00 0.00 C ATOM 1532 CD1 PHE B 79 -3.868 10.141 0.937 1.00 0.00 C ATOM 1533 CD2 PHE B 79 -3.995 10.891 -1.319 1.00 0.00 C ATOM 1534 CE1 PHE B 79 -4.013 8.832 0.513 1.00 0.00 C ATOM 1535 CE2 PHE B 79 -4.139 9.589 -1.746 1.00 0.00 C ATOM 1536 CZ PHE B 79 -4.149 8.558 -0.835 1.00 0.00 C ATOM 0 H PHE B 79 -2.503 12.154 2.599 1.00 0.00 H new ATOM 0 HA PHE B 79 -1.653 12.699 -0.126 1.00 0.00 H new ATOM 0 HB2 PHE B 79 -4.280 12.753 1.387 1.00 0.00 H new ATOM 0 HB3 PHE B 79 -4.142 13.265 -0.283 1.00 0.00 H new ATOM 0 HD1 PHE B 79 -3.761 10.353 1.991 1.00 0.00 H new ATOM 0 HD2 PHE B 79 -3.989 11.692 -2.043 1.00 0.00 H new ATOM 0 HE1 PHE B 79 -4.020 8.027 1.233 1.00 0.00 H new ATOM 0 HE2 PHE B 79 -4.244 9.377 -2.800 1.00 0.00 H new ATOM 0 HZ PHE B 79 -4.263 7.538 -1.172 1.00 0.00 H new ATOM 1546 N SER B 80 -1.065 15.105 0.344 1.00 0.00 N ATOM 1547 CA SER B 80 -0.843 16.540 0.408 1.00 0.00 C ATOM 1548 C SER B 80 -1.463 17.270 -0.786 1.00 0.00 C ATOM 1549 O SER B 80 -1.348 18.491 -0.901 1.00 0.00 O ATOM 1550 CB SER B 80 0.659 16.824 0.502 1.00 0.00 C ATOM 1551 OG SER B 80 1.411 15.809 -0.146 1.00 0.00 O ATOM 0 H SER B 80 -0.316 14.584 -0.113 1.00 0.00 H new ATOM 0 HA SER B 80 -1.338 16.921 1.301 1.00 0.00 H new ATOM 0 HB2 SER B 80 0.879 17.790 0.048 1.00 0.00 H new ATOM 0 HB3 SER B 80 0.956 16.889 1.549 1.00 0.00 H new ATOM 0 HG SER B 80 2.293 16.160 -0.390 1.00 0.00 H new ATOM 1557 N ASN B 81 -2.117 16.528 -1.679 1.00 0.00 N ATOM 1558 CA ASN B 81 -2.759 17.141 -2.840 1.00 0.00 C ATOM 1559 C ASN B 81 -4.080 17.777 -2.413 1.00 0.00 C ATOM 1560 O ASN B 81 -5.131 17.144 -2.449 1.00 0.00 O ATOM 1561 CB ASN B 81 -3.003 16.102 -3.942 1.00 0.00 C ATOM 1562 CG ASN B 81 -2.968 16.693 -5.349 1.00 0.00 C ATOM 1563 OD1 ASN B 81 -2.757 15.974 -6.329 1.00 0.00 O ATOM 1564 ND2 ASN B 81 -3.154 18.000 -5.468 1.00 0.00 N ATOM 0 H ASN B 81 -2.216 15.514 -1.622 1.00 0.00 H new ATOM 0 HA ASN B 81 -2.098 17.909 -3.242 1.00 0.00 H new ATOM 0 HB2 ASN B 81 -2.249 15.318 -3.866 1.00 0.00 H new ATOM 0 HB3 ASN B 81 -3.972 15.630 -3.778 1.00 0.00 H new ATOM 0 HD21 ASN B 81 -3.125 18.438 -6.389 1.00 0.00 H new ATOM 0 HD22 ASN B 81 -3.326 18.568 -4.639 1.00 0.00 H new ATOM 1571 N GLU B 82 -4.003 19.047 -2.048 1.00 0.00 N ATOM 1572 CA GLU B 82 -5.146 19.836 -1.571 1.00 0.00 C ATOM 1573 C GLU B 82 -6.419 19.677 -2.417 1.00 0.00 C ATOM 1574 O GLU B 82 -7.526 19.688 -1.878 1.00 0.00 O ATOM 1575 CB GLU B 82 -4.751 21.322 -1.498 1.00 0.00 C ATOM 1576 CG GLU B 82 -4.510 21.993 -2.854 1.00 0.00 C ATOM 1577 CD GLU B 82 -3.517 21.246 -3.727 1.00 0.00 C ATOM 1578 OE1 GLU B 82 -2.306 21.321 -3.453 1.00 0.00 O ATOM 1579 OE2 GLU B 82 -3.960 20.546 -4.667 1.00 0.00 O ATOM 0 H GLU B 82 -3.131 19.576 -2.073 1.00 0.00 H new ATOM 0 HA GLU B 82 -5.393 19.448 -0.583 1.00 0.00 H new ATOM 0 HB2 GLU B 82 -5.537 21.866 -0.974 1.00 0.00 H new ATOM 0 HB3 GLU B 82 -3.846 21.413 -0.898 1.00 0.00 H new ATOM 0 HG2 GLU B 82 -5.459 22.076 -3.384 1.00 0.00 H new ATOM 0 HG3 GLU B 82 -4.147 23.008 -2.690 1.00 0.00 H new ATOM 1586 N SER B 83 -6.258 19.526 -3.724 1.00 0.00 N ATOM 1587 CA SER B 83 -7.389 19.407 -4.635 1.00 0.00 C ATOM 1588 C SER B 83 -8.289 18.205 -4.356 1.00 0.00 C ATOM 1589 O SER B 83 -9.474 18.372 -4.065 1.00 0.00 O ATOM 1590 CB SER B 83 -6.874 19.340 -6.075 1.00 0.00 C ATOM 1591 OG SER B 83 -6.019 20.435 -6.366 1.00 0.00 O ATOM 0 H SER B 83 -5.347 19.483 -4.181 1.00 0.00 H new ATOM 0 HA SER B 83 -8.007 20.291 -4.478 1.00 0.00 H new ATOM 0 HB2 SER B 83 -6.336 18.404 -6.228 1.00 0.00 H new ATOM 0 HB3 SER B 83 -7.717 19.340 -6.766 1.00 0.00 H new ATOM 0 HG SER B 83 -5.145 20.287 -5.948 1.00 0.00 H new ATOM 1597 N THR B 84 -7.752 16.998 -4.433 1.00 0.00 N ATOM 1598 CA THR B 84 -8.585 15.822 -4.248 1.00 0.00 C ATOM 1599 C THR B 84 -8.056 14.827 -3.215 1.00 0.00 C ATOM 1600 O THR B 84 -8.542 13.706 -3.160 1.00 0.00 O ATOM 1601 CB THR B 84 -8.781 15.136 -5.607 1.00 0.00 C ATOM 1602 OG1 THR B 84 -7.518 15.008 -6.281 1.00 0.00 O ATOM 1603 CG2 THR B 84 -9.722 15.967 -6.467 1.00 0.00 C ATOM 0 H THR B 84 -6.767 16.809 -4.618 1.00 0.00 H new ATOM 0 HA THR B 84 -9.536 16.168 -3.843 1.00 0.00 H new ATOM 0 HB THR B 84 -9.206 14.146 -5.444 1.00 0.00 H new ATOM 0 HG1 THR B 84 -6.813 14.831 -5.624 1.00 0.00 H new ATOM 0 HG21 THR B 84 -9.860 15.479 -7.432 1.00 0.00 H new ATOM 0 HG22 THR B 84 -10.686 16.060 -5.966 1.00 0.00 H new ATOM 0 HG23 THR B 84 -9.295 16.958 -6.620 1.00 0.00 H new ATOM 1611 N ALA B 85 -7.112 15.249 -2.378 1.00 0.00 N ATOM 1612 CA ALA B 85 -6.495 14.377 -1.360 1.00 0.00 C ATOM 1613 C ALA B 85 -7.504 13.509 -0.612 1.00 0.00 C ATOM 1614 O ALA B 85 -7.285 12.316 -0.425 1.00 0.00 O ATOM 1615 CB ALA B 85 -5.720 15.213 -0.357 1.00 0.00 C ATOM 0 H ALA B 85 -6.748 16.202 -2.379 1.00 0.00 H new ATOM 0 HA ALA B 85 -5.828 13.705 -1.900 1.00 0.00 H new ATOM 0 HB1 ALA B 85 -5.269 14.560 0.390 1.00 0.00 H new ATOM 0 HB2 ALA B 85 -4.937 15.768 -0.874 1.00 0.00 H new ATOM 0 HB3 ALA B 85 -6.397 15.912 0.134 1.00 0.00 H new ATOM 1621 N VAL B 86 -8.597 14.115 -0.178 1.00 0.00 N ATOM 1622 CA VAL B 86 -9.632 13.399 0.560 1.00 0.00 C ATOM 1623 C VAL B 86 -10.193 12.229 -0.250 1.00 0.00 C ATOM 1624 O VAL B 86 -10.211 11.090 0.211 1.00 0.00 O ATOM 1625 CB VAL B 86 -10.785 14.354 0.936 1.00 0.00 C ATOM 1626 CG1 VAL B 86 -12.034 13.587 1.339 1.00 0.00 C ATOM 1627 CG2 VAL B 86 -10.372 15.294 2.044 1.00 0.00 C ATOM 0 H VAL B 86 -8.794 15.105 -0.323 1.00 0.00 H new ATOM 0 HA VAL B 86 -9.170 13.005 1.465 1.00 0.00 H new ATOM 0 HB VAL B 86 -11.018 14.943 0.049 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -12.826 14.291 1.597 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -12.361 12.962 0.508 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -11.812 12.958 2.201 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -11.203 15.955 2.289 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -10.095 14.717 2.926 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -9.519 15.889 1.717 1.00 0.00 H new ATOM 1637 N LYS B 87 -10.627 12.516 -1.467 1.00 0.00 N ATOM 1638 CA LYS B 87 -11.207 11.500 -2.337 1.00 0.00 C ATOM 1639 C LYS B 87 -10.120 10.608 -2.918 1.00 0.00 C ATOM 1640 O LYS B 87 -10.374 9.461 -3.281 1.00 0.00 O ATOM 1641 CB LYS B 87 -12.039 12.177 -3.427 1.00 0.00 C ATOM 1642 CG LYS B 87 -13.514 12.313 -3.053 1.00 0.00 C ATOM 1643 CD LYS B 87 -13.693 12.797 -1.618 1.00 0.00 C ATOM 1644 CE LYS B 87 -14.985 12.280 -0.998 1.00 0.00 C ATOM 1645 NZ LYS B 87 -14.798 11.878 0.426 1.00 0.00 N ATOM 0 H LYS B 87 -10.589 13.449 -1.878 1.00 0.00 H new ATOM 0 HA LYS B 87 -11.868 10.856 -1.757 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -11.628 13.166 -3.628 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -11.955 11.603 -4.350 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -13.999 13.011 -3.735 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -14.010 11.350 -3.176 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -12.845 12.469 -1.016 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -13.693 13.887 -1.600 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -15.751 13.053 -1.059 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -15.346 11.426 -1.571 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -15.677 11.454 0.785 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -14.026 11.184 0.492 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -14.560 12.716 0.995 1.00 0.00 H new ATOM 1659 N GLU B 88 -8.910 11.140 -3.005 1.00 0.00 N ATOM 1660 CA GLU B 88 -7.776 10.371 -3.471 1.00 0.00 C ATOM 1661 C GLU B 88 -7.491 9.299 -2.429 1.00 0.00 C ATOM 1662 O GLU B 88 -7.217 8.147 -2.760 1.00 0.00 O ATOM 1663 CB GLU B 88 -6.568 11.283 -3.711 1.00 0.00 C ATOM 1664 CG GLU B 88 -6.509 11.822 -5.134 1.00 0.00 C ATOM 1665 CD GLU B 88 -5.392 12.824 -5.357 1.00 0.00 C ATOM 1666 OE1 GLU B 88 -4.378 12.463 -5.994 1.00 0.00 O ATOM 1667 OE2 GLU B 88 -5.542 13.989 -4.934 1.00 0.00 O ATOM 0 H GLU B 88 -8.692 12.105 -2.757 1.00 0.00 H new ATOM 0 HA GLU B 88 -7.992 9.896 -4.428 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -6.605 12.119 -3.012 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -5.653 10.730 -3.499 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -6.381 10.988 -5.825 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -7.462 12.293 -5.375 1.00 0.00 H new ATOM 1674 N ARG B 89 -7.603 9.697 -1.160 1.00 0.00 N ATOM 1675 CA ARG B 89 -7.436 8.785 -0.035 1.00 0.00 C ATOM 1676 C ARG B 89 -8.464 7.684 -0.158 1.00 0.00 C ATOM 1677 O ARG B 89 -8.171 6.499 -0.015 1.00 0.00 O ATOM 1678 CB ARG B 89 -7.679 9.524 1.286 1.00 0.00 C ATOM 1679 CG ARG B 89 -7.446 8.682 2.524 1.00 0.00 C ATOM 1680 CD ARG B 89 -8.330 9.145 3.671 1.00 0.00 C ATOM 1681 NE ARG B 89 -9.721 9.333 3.250 1.00 0.00 N ATOM 1682 CZ ARG B 89 -10.543 10.252 3.757 1.00 0.00 C ATOM 1683 NH1 ARG B 89 -10.131 11.071 4.717 1.00 0.00 N ATOM 1684 NH2 ARG B 89 -11.787 10.345 3.316 1.00 0.00 N ATOM 0 H ARG B 89 -7.811 10.658 -0.888 1.00 0.00 H new ATOM 0 HA ARG B 89 -6.423 8.382 -0.044 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -7.027 10.396 1.326 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -8.705 9.892 1.299 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -7.652 7.635 2.301 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -6.399 8.745 2.819 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -8.291 8.413 4.477 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -7.943 10.082 4.072 1.00 0.00 H new ATOM 0 HE ARG B 89 -10.085 8.720 2.520 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -9.178 11.001 5.073 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -10.768 11.771 5.098 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -12.118 9.713 2.587 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -12.415 11.049 3.705 1.00 0.00 H new ATOM 1698 N ASP B 90 -9.673 8.124 -0.442 1.00 0.00 N ATOM 1699 CA ASP B 90 -10.822 7.259 -0.598 1.00 0.00 C ATOM 1700 C ASP B 90 -10.609 6.228 -1.704 1.00 0.00 C ATOM 1701 O ASP B 90 -10.828 5.044 -1.486 1.00 0.00 O ATOM 1702 CB ASP B 90 -12.056 8.124 -0.874 1.00 0.00 C ATOM 1703 CG ASP B 90 -12.604 8.768 0.386 1.00 0.00 C ATOM 1704 OD1 ASP B 90 -13.406 9.718 0.272 1.00 0.00 O ATOM 1705 OD2 ASP B 90 -12.222 8.337 1.497 1.00 0.00 O ATOM 0 H ASP B 90 -9.887 9.113 -0.573 1.00 0.00 H new ATOM 0 HA ASP B 90 -10.970 6.695 0.323 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -11.798 8.901 -1.593 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -12.832 7.510 -1.332 1.00 0.00 H new ATOM 1710 N ALA B 91 -10.151 6.671 -2.871 1.00 0.00 N ATOM 1711 CA ALA B 91 -9.914 5.765 -3.998 1.00 0.00 C ATOM 1712 C ALA B 91 -8.796 4.770 -3.691 1.00 0.00 C ATOM 1713 O ALA B 91 -8.909 3.594 -4.028 1.00 0.00 O ATOM 1714 CB ALA B 91 -9.593 6.556 -5.257 1.00 0.00 C ATOM 0 H ALA B 91 -9.936 7.649 -3.064 1.00 0.00 H new ATOM 0 HA ALA B 91 -10.828 5.195 -4.165 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -9.420 5.868 -6.085 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -10.430 7.211 -5.499 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -8.699 7.157 -5.091 1.00 0.00 H new ATOM 1720 N VAL B 92 -7.713 5.238 -3.066 1.00 0.00 N ATOM 1721 CA VAL B 92 -6.613 4.347 -2.693 1.00 0.00 C ATOM 1722 C VAL B 92 -7.161 3.321 -1.711 1.00 0.00 C ATOM 1723 O VAL B 92 -6.903 2.125 -1.823 1.00 0.00 O ATOM 1724 CB VAL B 92 -5.440 5.116 -2.049 1.00 0.00 C ATOM 1725 CG1 VAL B 92 -4.300 4.173 -1.709 1.00 0.00 C ATOM 1726 CG2 VAL B 92 -4.949 6.209 -2.977 1.00 0.00 C ATOM 0 H VAL B 92 -7.575 6.216 -2.810 1.00 0.00 H new ATOM 0 HA VAL B 92 -6.223 3.866 -3.590 1.00 0.00 H new ATOM 0 HB VAL B 92 -5.800 5.572 -1.127 1.00 0.00 H new ATOM 0 HG11 VAL B 92 -3.484 4.737 -1.256 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -4.651 3.416 -1.008 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -3.945 3.688 -2.619 1.00 0.00 H new ATOM 0 HG21 VAL B 92 -4.122 6.741 -2.507 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -4.610 5.766 -3.914 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -5.761 6.907 -3.179 1.00 0.00 H new ATOM 1736 N LYS B 93 -7.964 3.821 -0.772 1.00 0.00 N ATOM 1737 CA LYS B 93 -8.621 2.995 0.231 1.00 0.00 C ATOM 1738 C LYS B 93 -9.501 1.958 -0.447 1.00 0.00 C ATOM 1739 O LYS B 93 -9.419 0.764 -0.170 1.00 0.00 O ATOM 1740 CB LYS B 93 -9.504 3.877 1.121 1.00 0.00 C ATOM 1741 CG LYS B 93 -10.485 3.092 1.987 1.00 0.00 C ATOM 1742 CD LYS B 93 -11.625 3.969 2.495 1.00 0.00 C ATOM 1743 CE LYS B 93 -12.321 4.715 1.363 1.00 0.00 C ATOM 1744 NZ LYS B 93 -13.206 3.835 0.551 1.00 0.00 N ATOM 0 H LYS B 93 -8.176 4.815 -0.689 1.00 0.00 H new ATOM 0 HA LYS B 93 -7.859 2.497 0.831 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -8.865 4.480 1.767 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -10.063 4.568 0.491 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -10.895 2.263 1.410 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -9.954 2.659 2.835 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -12.351 3.350 3.021 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -11.236 4.687 3.217 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -12.911 5.531 1.780 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -11.569 5.165 0.714 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -13.573 4.368 -0.263 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -12.663 3.015 0.212 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -14.000 3.506 1.136 1.00 0.00 H new ATOM 1758 N ASP B 94 -10.346 2.454 -1.334 1.00 0.00 N ATOM 1759 CA ASP B 94 -11.288 1.643 -2.087 1.00 0.00 C ATOM 1760 C ASP B 94 -10.587 0.579 -2.909 1.00 0.00 C ATOM 1761 O ASP B 94 -10.888 -0.604 -2.780 1.00 0.00 O ATOM 1762 CB ASP B 94 -12.131 2.554 -2.980 1.00 0.00 C ATOM 1763 CG ASP B 94 -13.391 3.009 -2.274 1.00 0.00 C ATOM 1764 OD1 ASP B 94 -13.543 4.227 -2.043 1.00 0.00 O ATOM 1765 OD2 ASP B 94 -14.198 2.147 -1.884 1.00 0.00 O ATOM 0 H ASP B 94 -10.398 3.448 -1.555 1.00 0.00 H new ATOM 0 HA ASP B 94 -11.935 1.120 -1.383 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -11.543 3.423 -3.274 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -12.396 2.025 -3.895 1.00 0.00 H new ATOM 1770 N LEU B 95 -9.640 0.995 -3.733 1.00 0.00 N ATOM 1771 CA LEU B 95 -8.898 0.067 -4.571 1.00 0.00 C ATOM 1772 C LEU B 95 -8.168 -0.962 -3.719 1.00 0.00 C ATOM 1773 O LEU B 95 -8.123 -2.123 -4.076 1.00 0.00 O ATOM 1774 CB LEU B 95 -7.910 0.818 -5.467 1.00 0.00 C ATOM 1775 CG LEU B 95 -7.571 0.116 -6.783 1.00 0.00 C ATOM 1776 CD1 LEU B 95 -8.817 -0.052 -7.639 1.00 0.00 C ATOM 1777 CD2 LEU B 95 -6.504 0.889 -7.542 1.00 0.00 C ATOM 0 H LEU B 95 -9.366 1.972 -3.840 1.00 0.00 H new ATOM 0 HA LEU B 95 -9.610 -0.457 -5.209 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -8.322 1.802 -5.693 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -6.987 0.979 -4.910 1.00 0.00 H new ATOM 0 HG LEU B 95 -7.179 -0.874 -6.550 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -8.554 -0.553 -8.570 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -9.551 -0.651 -7.100 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -9.240 0.927 -7.861 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -6.276 0.374 -8.475 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -6.868 1.893 -7.761 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -5.601 0.955 -6.935 1.00 0.00 H new ATOM 1789 N LEU B 96 -7.618 -0.543 -2.586 1.00 0.00 N ATOM 1790 CA LEU B 96 -6.917 -1.468 -1.692 1.00 0.00 C ATOM 1791 C LEU B 96 -7.917 -2.398 -1.018 1.00 0.00 C ATOM 1792 O LEU B 96 -7.685 -3.587 -0.918 1.00 0.00 O ATOM 1793 CB LEU B 96 -6.131 -0.704 -0.624 1.00 0.00 C ATOM 1794 CG LEU B 96 -4.776 -0.158 -1.069 1.00 0.00 C ATOM 1795 CD1 LEU B 96 -4.295 0.916 -0.107 1.00 0.00 C ATOM 1796 CD2 LEU B 96 -3.757 -1.278 -1.156 1.00 0.00 C ATOM 0 H LEU B 96 -7.641 0.424 -2.262 1.00 0.00 H new ATOM 0 HA LEU B 96 -6.217 -2.053 -2.289 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -6.742 0.129 -0.275 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -5.975 -1.364 0.229 1.00 0.00 H new ATOM 0 HG LEU B 96 -4.891 0.286 -2.058 1.00 0.00 H new ATOM 0 HD11 LEU B 96 -3.328 1.295 -0.438 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -5.016 1.733 -0.084 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -4.195 0.491 0.892 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -2.797 -0.872 -1.474 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -3.647 -1.746 -0.178 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -4.094 -2.021 -1.878 1.00 0.00 H new ATOM 1808 N GLN B 97 -9.040 -1.850 -0.575 1.00 0.00 N ATOM 1809 CA GLN B 97 -10.088 -2.647 0.070 1.00 0.00 C ATOM 1810 C GLN B 97 -10.626 -3.665 -0.932 1.00 0.00 C ATOM 1811 O GLN B 97 -11.150 -4.718 -0.582 1.00 0.00 O ATOM 1812 CB GLN B 97 -11.207 -1.717 0.563 1.00 0.00 C ATOM 1813 CG GLN B 97 -12.406 -2.433 1.164 1.00 0.00 C ATOM 1814 CD GLN B 97 -12.095 -3.123 2.481 1.00 0.00 C ATOM 1815 OE1 GLN B 97 -11.227 -2.520 3.283 1.00 0.00 O flip ATOM 1816 NE2 GLN B 97 -12.651 -4.175 2.783 1.00 0.00 N flip ATOM 0 H GLN B 97 -9.254 -0.855 -0.648 1.00 0.00 H new ATOM 0 HA GLN B 97 -9.682 -3.181 0.929 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -10.795 -1.038 1.309 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -11.547 -1.105 -0.272 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -13.210 -1.713 1.320 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -12.773 -3.172 0.452 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -13.312 -4.606 2.137 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -12.452 -4.618 3.680 1.00 0.00 H new ATOM 1825 N GLN B 98 -10.459 -3.316 -2.189 1.00 0.00 N ATOM 1826 CA GLN B 98 -10.873 -4.132 -3.309 1.00 0.00 C ATOM 1827 C GLN B 98 -9.802 -5.148 -3.683 1.00 0.00 C ATOM 1828 O GLN B 98 -10.071 -6.333 -3.882 1.00 0.00 O ATOM 1829 CB GLN B 98 -11.101 -3.202 -4.499 1.00 0.00 C ATOM 1830 CG GLN B 98 -12.517 -2.684 -4.616 1.00 0.00 C ATOM 1831 CD GLN B 98 -13.202 -3.171 -5.875 1.00 0.00 C ATOM 1832 OE1 GLN B 98 -12.910 -4.262 -6.375 1.00 0.00 O ATOM 1833 NE2 GLN B 98 -14.106 -2.361 -6.400 1.00 0.00 N ATOM 0 H GLN B 98 -10.022 -2.437 -2.467 1.00 0.00 H new ATOM 0 HA GLN B 98 -11.778 -4.677 -3.040 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -10.421 -2.354 -4.419 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -10.843 -3.732 -5.416 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -13.091 -3.002 -3.746 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -12.505 -1.594 -4.609 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -14.314 -1.469 -5.951 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -14.595 -2.628 -7.254 1.00 0.00 H new ATOM 1842 N LEU B 99 -8.596 -4.642 -3.786 1.00 0.00 N ATOM 1843 CA LEU B 99 -7.426 -5.395 -4.202 1.00 0.00 C ATOM 1844 C LEU B 99 -6.776 -6.246 -3.108 1.00 0.00 C ATOM 1845 O LEU B 99 -6.413 -7.390 -3.364 1.00 0.00 O ATOM 1846 CB LEU B 99 -6.425 -4.384 -4.753 1.00 0.00 C ATOM 1847 CG LEU B 99 -6.591 -4.080 -6.243 1.00 0.00 C ATOM 1848 CD1 LEU B 99 -5.823 -2.825 -6.625 1.00 0.00 C ATOM 1849 CD2 LEU B 99 -6.144 -5.262 -7.087 1.00 0.00 C ATOM 0 H LEU B 99 -8.391 -3.665 -3.577 1.00 0.00 H new ATOM 0 HA LEU B 99 -7.746 -6.123 -4.947 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -6.520 -3.454 -4.192 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -5.416 -4.759 -4.581 1.00 0.00 H new ATOM 0 HG LEU B 99 -7.649 -3.904 -6.438 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -5.955 -2.627 -7.689 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -6.199 -1.979 -6.049 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -4.764 -2.967 -6.411 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -6.271 -5.024 -8.143 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -5.094 -5.476 -6.887 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -6.746 -6.136 -6.837 1.00 0.00 H new ATOM 1861 N LEU B 100 -6.639 -5.701 -1.905 1.00 0.00 N ATOM 1862 CA LEU B 100 -5.987 -6.412 -0.801 1.00 0.00 C ATOM 1863 C LEU B 100 -6.550 -7.822 -0.575 1.00 0.00 C ATOM 1864 O LEU B 100 -5.808 -8.793 -0.698 1.00 0.00 O ATOM 1865 CB LEU B 100 -6.022 -5.593 0.497 1.00 0.00 C ATOM 1866 CG LEU B 100 -5.011 -4.449 0.532 1.00 0.00 C ATOM 1867 CD1 LEU B 100 -5.014 -3.729 1.869 1.00 0.00 C ATOM 1868 CD2 LEU B 100 -3.627 -4.965 0.248 1.00 0.00 C ATOM 0 H LEU B 100 -6.970 -4.767 -1.664 1.00 0.00 H new ATOM 0 HA LEU B 100 -4.946 -6.537 -1.100 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -7.024 -5.184 0.631 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -5.834 -6.258 1.340 1.00 0.00 H new ATOM 0 HG LEU B 100 -5.306 -3.737 -0.239 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -4.280 -2.923 1.850 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -6.004 -3.314 2.057 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -4.759 -4.433 2.662 1.00 0.00 H new ATOM 0 HD21 LEU B 100 -2.917 -4.138 0.276 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -3.353 -5.704 1.000 1.00 0.00 H new ATOM 0 HD23 LEU B 100 -3.606 -5.427 -0.739 1.00 0.00 H new ATOM 1880 N PRO B 101 -7.859 -7.976 -0.274 1.00 0.00 N ATOM 1881 CA PRO B 101 -8.452 -9.300 -0.026 1.00 0.00 C ATOM 1882 C PRO B 101 -8.389 -10.227 -1.241 1.00 0.00 C ATOM 1883 O PRO B 101 -8.555 -11.439 -1.112 1.00 0.00 O ATOM 1884 CB PRO B 101 -9.912 -8.991 0.331 1.00 0.00 C ATOM 1885 CG PRO B 101 -9.923 -7.550 0.707 1.00 0.00 C ATOM 1886 CD PRO B 101 -8.862 -6.906 -0.134 1.00 0.00 C ATOM 0 HA PRO B 101 -7.909 -9.830 0.756 1.00 0.00 H new ATOM 0 HB2 PRO B 101 -10.573 -9.183 -0.514 1.00 0.00 H new ATOM 0 HB3 PRO B 101 -10.257 -9.616 1.155 1.00 0.00 H new ATOM 0 HG2 PRO B 101 -10.899 -7.103 0.517 1.00 0.00 H new ATOM 0 HG3 PRO B 101 -9.714 -7.420 1.769 1.00 0.00 H new ATOM 0 HD2 PRO B 101 -9.251 -6.588 -1.101 1.00 0.00 H new ATOM 0 HD3 PRO B 101 -8.445 -6.022 0.349 1.00 0.00 H new ATOM 1894 N LYS B 102 -8.136 -9.662 -2.419 1.00 0.00 N ATOM 1895 CA LYS B 102 -8.046 -10.461 -3.637 1.00 0.00 C ATOM 1896 C LYS B 102 -6.690 -11.153 -3.716 1.00 0.00 C ATOM 1897 O LYS B 102 -6.496 -12.081 -4.498 1.00 0.00 O ATOM 1898 CB LYS B 102 -8.274 -9.597 -4.882 1.00 0.00 C ATOM 1899 CG LYS B 102 -9.744 -9.338 -5.181 1.00 0.00 C ATOM 1900 CD LYS B 102 -9.971 -9.011 -6.651 1.00 0.00 C ATOM 1901 CE LYS B 102 -9.875 -7.516 -6.925 1.00 0.00 C ATOM 1902 NZ LYS B 102 -11.024 -6.768 -6.344 1.00 0.00 N ATOM 0 H LYS B 102 -7.991 -8.662 -2.555 1.00 0.00 H new ATOM 0 HA LYS B 102 -8.829 -11.219 -3.603 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -7.765 -8.642 -4.750 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -7.817 -10.086 -5.742 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -10.331 -10.215 -4.909 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -10.101 -8.512 -4.565 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -9.235 -9.539 -7.257 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -10.953 -9.373 -6.955 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -8.944 -7.130 -6.510 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -9.839 -7.346 -8.001 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -11.072 -5.820 -6.770 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -11.907 -7.281 -6.540 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -10.896 -6.679 -5.316 1.00 0.00 H new ATOM 1916 N PHE B 103 -5.754 -10.684 -2.901 1.00 0.00 N ATOM 1917 CA PHE B 103 -4.415 -11.252 -2.848 1.00 0.00 C ATOM 1918 C PHE B 103 -4.125 -11.739 -1.439 1.00 0.00 C ATOM 1919 O PHE B 103 -2.987 -12.050 -1.088 1.00 0.00 O ATOM 1920 CB PHE B 103 -3.370 -10.214 -3.268 1.00 0.00 C ATOM 1921 CG PHE B 103 -3.399 -9.898 -4.736 1.00 0.00 C ATOM 1922 CD1 PHE B 103 -2.496 -10.492 -5.603 1.00 0.00 C ATOM 1923 CD2 PHE B 103 -4.333 -9.014 -5.250 1.00 0.00 C ATOM 1924 CE1 PHE B 103 -2.526 -10.209 -6.955 1.00 0.00 C ATOM 1925 CE2 PHE B 103 -4.368 -8.727 -6.600 1.00 0.00 C ATOM 1926 CZ PHE B 103 -3.463 -9.326 -7.454 1.00 0.00 C ATOM 0 H PHE B 103 -5.901 -9.903 -2.261 1.00 0.00 H new ATOM 0 HA PHE B 103 -4.362 -12.091 -3.541 1.00 0.00 H new ATOM 0 HB2 PHE B 103 -3.533 -9.296 -2.703 1.00 0.00 H new ATOM 0 HB3 PHE B 103 -2.378 -10.580 -3.002 1.00 0.00 H new ATOM 0 HD1 PHE B 103 -1.761 -11.183 -5.218 1.00 0.00 H new ATOM 0 HD2 PHE B 103 -5.043 -8.543 -4.586 1.00 0.00 H new ATOM 0 HE1 PHE B 103 -1.817 -10.678 -7.621 1.00 0.00 H new ATOM 0 HE2 PHE B 103 -5.102 -8.035 -6.987 1.00 0.00 H new ATOM 0 HZ PHE B 103 -3.488 -9.104 -8.511 1.00 0.00 H new