USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 574 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 TYR OH : rot 177:sc= 0 USER MOD Set 1.2: A 45 MET CE :methyl -125:sc= -1.68 (180deg=-1.23) USER MOD Set 2.1: A 20 TYR OH : rot -166:sc= 2.14 USER MOD Set 2.2: A 22 GLN : amide:sc= 1.06 X(o=2.7,f=2.3) USER MOD Set 2.3: A 25 GLN : amide:sc= -0.539 K(o=2.7,f=1.6!) USER MOD Set 3.1: A 11 CYS SG : rot 68:sc= 0.512 USER MOD Set 3.2: A 14 THR OG1 : rot 108:sc= 1.24 USER MOD Set 3.3: A 29 SER OG : rot 145:sc= -0.566! USER MOD Set 3.4: A 31 GLN : amide:sc= 0.89 K(o=2.1,f=-2.6!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -171:sc= 0.38 (180deg=0.351) USER MOD Single : A 3 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00332) USER MOD Single : A 4 LYS NZ :NH3+ 163:sc= 1.56 (180deg=1.06) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 HIS : no HD1:sc= -0.37 K(o=-0.37,f=-3.2!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.039 X(o=-0.039,f=0) USER MOD Single : A 54 SER OG : rot 119:sc= 1.32 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HD1:sc= -0.0279 X(o=-0.028,f=-0.00074) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 HIS : no HD1:sc= -0.0436 X(o=-0.044,f=0) USER MOD Single : A 66 HIS : no HD1:sc= 0.71 K(o=1.2,f=-5.8!) USER MOD Single : A 67 HIS : no HD1:sc= -0.0503 X(o=-0.05,f=-0.05) USER MOD Single : A 68 HIS : no HE2:sc= 0.0616 K(o=0.062,f=-2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.320 14.652 -16.010 1.00 0.00 N ATOM 2 CA MET A 1 8.701 13.774 -14.884 1.00 0.00 C ATOM 3 C MET A 1 7.950 12.451 -14.980 1.00 0.00 C ATOM 4 O MET A 1 6.799 12.344 -14.551 1.00 0.00 O ATOM 5 CB MET A 1 8.399 14.460 -13.545 1.00 0.00 C ATOM 6 CG MET A 1 8.808 13.642 -12.330 1.00 0.00 C ATOM 7 SD MET A 1 8.454 14.481 -10.771 1.00 0.00 S ATOM 8 CE MET A 1 9.052 13.270 -9.592 1.00 0.00 C ATOM 0 H1 MET A 1 8.942 15.485 -16.027 1.00 0.00 H new ATOM 0 H2 MET A 1 8.416 14.130 -16.905 1.00 0.00 H new ATOM 0 H3 MET A 1 7.333 14.959 -15.892 1.00 0.00 H new ATOM 0 HA MET A 1 9.772 13.578 -14.938 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.914 15.420 -13.515 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.331 14.669 -13.488 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.286 12.685 -12.349 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.875 13.424 -12.386 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.902 13.644 -8.579 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.504 12.337 -9.719 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.114 13.092 -9.760 1.00 0.00 H new ATOM 20 N GLU A 2 8.590 11.449 -15.559 1.00 0.00 N ATOM 21 CA GLU A 2 7.954 10.157 -15.744 1.00 0.00 C ATOM 22 C GLU A 2 8.268 9.259 -14.560 1.00 0.00 C ATOM 23 O GLU A 2 9.068 8.327 -14.654 1.00 0.00 O ATOM 24 CB GLU A 2 8.397 9.489 -17.052 1.00 0.00 C ATOM 25 CG GLU A 2 8.168 10.335 -18.300 1.00 0.00 C ATOM 26 CD GLU A 2 9.168 11.466 -18.434 1.00 0.00 C ATOM 27 OE1 GLU A 2 10.362 11.179 -18.667 1.00 0.00 O ATOM 28 OE2 GLU A 2 8.774 12.641 -18.278 1.00 0.00 O ATOM 0 H GLU A 2 9.547 11.506 -15.908 1.00 0.00 H new ATOM 0 HA GLU A 2 6.877 10.315 -15.807 1.00 0.00 H new ATOM 0 HB2 GLU A 2 9.457 9.247 -16.981 1.00 0.00 H new ATOM 0 HB3 GLU A 2 7.862 8.546 -17.164 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.227 9.697 -19.182 1.00 0.00 H new ATOM 0 HG3 GLU A 2 7.160 10.749 -18.273 1.00 0.00 H new ATOM 35 N LYS A 3 7.658 9.578 -13.433 1.00 0.00 N ATOM 36 CA LYS A 3 7.859 8.835 -12.206 1.00 0.00 C ATOM 37 C LYS A 3 6.702 9.149 -11.267 1.00 0.00 C ATOM 38 O LYS A 3 5.921 10.060 -11.549 1.00 0.00 O ATOM 39 CB LYS A 3 9.208 9.208 -11.577 1.00 0.00 C ATOM 40 CG LYS A 3 9.728 8.193 -10.571 1.00 0.00 C ATOM 41 CD LYS A 3 11.192 8.442 -10.245 1.00 0.00 C ATOM 42 CE LYS A 3 11.750 7.391 -9.296 1.00 0.00 C ATOM 43 NZ LYS A 3 11.188 7.524 -7.928 1.00 0.00 N ATOM 0 H LYS A 3 7.009 10.360 -13.344 1.00 0.00 H new ATOM 0 HA LYS A 3 7.881 7.764 -12.406 1.00 0.00 H new ATOM 0 HB2 LYS A 3 9.946 9.327 -12.371 1.00 0.00 H new ATOM 0 HB3 LYS A 3 9.111 10.175 -11.084 1.00 0.00 H new ATOM 0 HG2 LYS A 3 9.135 8.246 -9.658 1.00 0.00 H new ATOM 0 HG3 LYS A 3 9.608 7.186 -10.971 1.00 0.00 H new ATOM 0 HD2 LYS A 3 11.774 8.444 -11.167 1.00 0.00 H new ATOM 0 HD3 LYS A 3 11.301 9.430 -9.797 1.00 0.00 H new ATOM 0 HE2 LYS A 3 11.528 6.397 -9.684 1.00 0.00 H new ATOM 0 HE3 LYS A 3 12.835 7.481 -9.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 11.606 6.801 -7.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 11.407 8.469 -7.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 10.157 7.396 -7.962 1.00 0.00 H new ATOM 57 N LYS A 4 6.572 8.385 -10.181 1.00 0.00 N ATOM 58 CA LYS A 4 5.457 8.543 -9.241 1.00 0.00 C ATOM 59 C LYS A 4 4.132 8.127 -9.900 1.00 0.00 C ATOM 60 O LYS A 4 3.054 8.280 -9.329 1.00 0.00 O ATOM 61 CB LYS A 4 5.405 9.986 -8.703 1.00 0.00 C ATOM 62 CG LYS A 4 4.268 10.258 -7.728 1.00 0.00 C ATOM 63 CD LYS A 4 4.478 11.558 -6.982 1.00 0.00 C ATOM 64 CE LYS A 4 3.194 12.049 -6.330 1.00 0.00 C ATOM 65 NZ LYS A 4 2.518 10.997 -5.520 1.00 0.00 N ATOM 0 H LYS A 4 7.228 7.646 -9.928 1.00 0.00 H new ATOM 0 HA LYS A 4 5.617 7.883 -8.389 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.351 10.210 -8.210 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.315 10.671 -9.546 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.323 10.297 -8.270 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.193 9.436 -7.016 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.243 11.419 -6.218 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.849 12.317 -7.671 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.420 12.903 -5.692 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.511 12.401 -7.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.830 11.441 -4.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.025 10.335 -6.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.227 10.480 -4.962 1.00 0.00 H new ATOM 79 N PHE A 5 4.227 7.546 -11.090 1.00 0.00 N ATOM 80 CA PHE A 5 3.051 7.056 -11.805 1.00 0.00 C ATOM 81 C PHE A 5 2.429 5.867 -11.073 1.00 0.00 C ATOM 82 O PHE A 5 1.280 5.501 -11.318 1.00 0.00 O ATOM 83 CB PHE A 5 3.413 6.676 -13.248 1.00 0.00 C ATOM 84 CG PHE A 5 4.554 5.698 -13.368 1.00 0.00 C ATOM 85 CD1 PHE A 5 4.322 4.331 -13.355 1.00 0.00 C ATOM 86 CD2 PHE A 5 5.860 6.150 -13.489 1.00 0.00 C ATOM 87 CE1 PHE A 5 5.369 3.435 -13.466 1.00 0.00 C ATOM 88 CE2 PHE A 5 6.909 5.258 -13.601 1.00 0.00 C ATOM 89 CZ PHE A 5 6.664 3.899 -13.586 1.00 0.00 C ATOM 0 H PHE A 5 5.108 7.402 -11.583 1.00 0.00 H new ATOM 0 HA PHE A 5 2.314 7.858 -11.838 1.00 0.00 H new ATOM 0 HB2 PHE A 5 2.533 6.250 -13.730 1.00 0.00 H new ATOM 0 HB3 PHE A 5 3.669 7.583 -13.796 1.00 0.00 H new ATOM 0 HD1 PHE A 5 3.312 3.962 -13.257 1.00 0.00 H new ATOM 0 HD2 PHE A 5 6.059 7.211 -13.496 1.00 0.00 H new ATOM 0 HE1 PHE A 5 5.174 2.373 -13.459 1.00 0.00 H new ATOM 0 HE2 PHE A 5 7.920 5.623 -13.700 1.00 0.00 H new ATOM 0 HZ PHE A 5 7.484 3.201 -13.668 1.00 0.00 H new ATOM 99 N LEU A 6 3.202 5.273 -10.176 1.00 0.00 N ATOM 100 CA LEU A 6 2.718 4.190 -9.334 1.00 0.00 C ATOM 101 C LEU A 6 2.376 4.713 -7.940 1.00 0.00 C ATOM 102 O LEU A 6 1.892 3.974 -7.090 1.00 0.00 O ATOM 103 CB LEU A 6 3.767 3.067 -9.264 1.00 0.00 C ATOM 104 CG LEU A 6 5.217 3.511 -9.047 1.00 0.00 C ATOM 105 CD1 LEU A 6 5.464 3.923 -7.603 1.00 0.00 C ATOM 106 CD2 LEU A 6 6.174 2.401 -9.456 1.00 0.00 C ATOM 0 H LEU A 6 4.176 5.526 -10.012 1.00 0.00 H new ATOM 0 HA LEU A 6 1.808 3.779 -9.771 1.00 0.00 H new ATOM 0 HB2 LEU A 6 3.491 2.390 -8.456 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.719 2.494 -10.190 1.00 0.00 H new ATOM 0 HG LEU A 6 5.398 4.384 -9.675 1.00 0.00 H new ATOM 0 HD11 LEU A 6 6.503 4.232 -7.485 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.807 4.753 -7.344 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.260 3.079 -6.944 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.201 2.729 -9.297 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.980 1.513 -8.855 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.028 2.165 -10.510 1.00 0.00 H new ATOM 118 N ASP A 7 2.620 6.003 -7.727 1.00 0.00 N ATOM 119 CA ASP A 7 2.394 6.634 -6.426 1.00 0.00 C ATOM 120 C ASP A 7 1.248 7.642 -6.532 1.00 0.00 C ATOM 121 O ASP A 7 1.094 8.549 -5.713 1.00 0.00 O ATOM 122 CB ASP A 7 3.690 7.303 -5.944 1.00 0.00 C ATOM 123 CG ASP A 7 3.587 7.913 -4.553 1.00 0.00 C ATOM 124 OD1 ASP A 7 3.161 7.213 -3.616 1.00 0.00 O ATOM 125 OD2 ASP A 7 3.932 9.108 -4.397 1.00 0.00 O ATOM 0 H ASP A 7 2.976 6.637 -8.442 1.00 0.00 H new ATOM 0 HA ASP A 7 2.111 5.879 -5.693 1.00 0.00 H new ATOM 0 HB2 ASP A 7 4.492 6.565 -5.948 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.971 8.083 -6.652 1.00 0.00 H new ATOM 130 N ILE A 8 0.445 7.475 -7.572 1.00 0.00 N ATOM 131 CA ILE A 8 -0.767 8.268 -7.738 1.00 0.00 C ATOM 132 C ILE A 8 -1.986 7.422 -7.414 1.00 0.00 C ATOM 133 O ILE A 8 -3.128 7.868 -7.543 1.00 0.00 O ATOM 134 CB ILE A 8 -0.905 8.838 -9.164 1.00 0.00 C ATOM 135 CG1 ILE A 8 -0.876 7.708 -10.202 1.00 0.00 C ATOM 136 CG2 ILE A 8 0.188 9.864 -9.435 1.00 0.00 C ATOM 137 CD1 ILE A 8 -1.087 8.185 -11.626 1.00 0.00 C ATOM 0 H ILE A 8 0.610 6.797 -8.316 1.00 0.00 H new ATOM 0 HA ILE A 8 -0.697 9.110 -7.050 1.00 0.00 H new ATOM 0 HB ILE A 8 -1.868 9.342 -9.246 1.00 0.00 H new ATOM 0 HG12 ILE A 8 0.082 7.193 -10.139 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -1.647 6.979 -9.954 1.00 0.00 H new ATOM 0 HG21 ILE A 8 0.076 10.256 -10.446 1.00 0.00 H new ATOM 0 HG22 ILE A 8 0.106 10.681 -8.718 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.165 9.390 -9.336 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.054 7.332 -12.304 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -2.058 8.674 -11.706 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.301 8.892 -11.893 1.00 0.00 H new ATOM 149 N LEU A 9 -1.731 6.197 -6.986 1.00 0.00 N ATOM 150 CA LEU A 9 -2.796 5.258 -6.687 1.00 0.00 C ATOM 151 C LEU A 9 -3.203 5.367 -5.224 1.00 0.00 C ATOM 152 O LEU A 9 -2.370 5.263 -4.325 1.00 0.00 O ATOM 153 CB LEU A 9 -2.349 3.827 -6.999 1.00 0.00 C ATOM 154 CG LEU A 9 -1.873 3.586 -8.435 1.00 0.00 C ATOM 155 CD1 LEU A 9 -1.402 2.148 -8.608 1.00 0.00 C ATOM 156 CD2 LEU A 9 -2.985 3.902 -9.424 1.00 0.00 C ATOM 0 H LEU A 9 -0.791 5.830 -6.838 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.655 5.502 -7.311 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.542 3.560 -6.317 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.179 3.152 -6.791 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.032 4.251 -8.634 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.068 1.996 -9.634 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.576 1.951 -7.924 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.225 1.467 -8.389 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.630 3.725 -10.439 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.844 3.261 -9.223 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.279 4.946 -9.319 1.00 0.00 H new ATOM 168 N VAL A 10 -4.486 5.582 -4.993 1.00 0.00 N ATOM 169 CA VAL A 10 -5.009 5.705 -3.644 1.00 0.00 C ATOM 170 C VAL A 10 -5.984 4.577 -3.364 1.00 0.00 C ATOM 171 O VAL A 10 -6.515 3.966 -4.294 1.00 0.00 O ATOM 172 CB VAL A 10 -5.715 7.062 -3.416 1.00 0.00 C ATOM 173 CG1 VAL A 10 -4.718 8.205 -3.538 1.00 0.00 C ATOM 174 CG2 VAL A 10 -6.869 7.247 -4.399 1.00 0.00 C ATOM 0 H VAL A 10 -5.188 5.675 -5.727 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.162 5.649 -2.960 1.00 0.00 H new ATOM 0 HB VAL A 10 -6.127 7.068 -2.407 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -5.230 9.153 -3.375 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.932 8.084 -2.792 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -4.276 8.198 -4.534 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.350 8.208 -4.219 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -6.486 7.218 -5.419 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -7.596 6.446 -4.262 1.00 0.00 H new ATOM 184 N CYS A 11 -6.204 4.292 -2.090 1.00 0.00 N ATOM 185 CA CYS A 11 -7.135 3.244 -1.697 1.00 0.00 C ATOM 186 C CYS A 11 -8.547 3.568 -2.186 1.00 0.00 C ATOM 187 O CYS A 11 -8.956 4.725 -2.186 1.00 0.00 O ATOM 188 CB CYS A 11 -7.144 3.098 -0.175 1.00 0.00 C ATOM 189 SG CYS A 11 -5.521 2.794 0.557 1.00 0.00 S ATOM 0 H CYS A 11 -5.752 4.770 -1.311 1.00 0.00 H new ATOM 0 HA CYS A 11 -6.810 2.308 -2.151 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -7.562 4.005 0.262 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -7.810 2.278 0.095 1.00 0.00 H new ATOM 0 HG CYS A 11 -4.780 3.854 0.425 1.00 0.00 H new ATOM 195 N PRO A 12 -9.313 2.554 -2.607 1.00 0.00 N ATOM 196 CA PRO A 12 -10.701 2.733 -3.018 1.00 0.00 C ATOM 197 C PRO A 12 -11.665 2.670 -1.835 1.00 0.00 C ATOM 198 O PRO A 12 -12.769 3.206 -1.891 1.00 0.00 O ATOM 199 CB PRO A 12 -10.953 1.553 -3.971 1.00 0.00 C ATOM 200 CG PRO A 12 -9.699 0.727 -3.967 1.00 0.00 C ATOM 201 CD PRO A 12 -8.887 1.167 -2.781 1.00 0.00 C ATOM 0 HA PRO A 12 -10.865 3.709 -3.475 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -11.807 0.963 -3.640 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -11.181 1.908 -4.976 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -9.937 -0.335 -3.899 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -9.140 0.870 -4.892 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -9.097 0.563 -1.898 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -7.816 1.092 -2.971 1.00 0.00 H new ATOM 209 N VAL A 13 -11.234 2.010 -0.766 1.00 0.00 N ATOM 210 CA VAL A 13 -12.077 1.803 0.406 1.00 0.00 C ATOM 211 C VAL A 13 -12.253 3.096 1.199 1.00 0.00 C ATOM 212 O VAL A 13 -13.334 3.685 1.219 1.00 0.00 O ATOM 213 CB VAL A 13 -11.484 0.713 1.327 1.00 0.00 C ATOM 214 CG1 VAL A 13 -12.386 0.456 2.524 1.00 0.00 C ATOM 215 CG2 VAL A 13 -11.249 -0.573 0.550 1.00 0.00 C ATOM 0 H VAL A 13 -10.300 1.607 -0.687 1.00 0.00 H new ATOM 0 HA VAL A 13 -13.053 1.476 0.047 1.00 0.00 H new ATOM 0 HB VAL A 13 -10.525 1.074 1.700 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -11.943 -0.315 3.154 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -12.497 1.375 3.100 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -13.365 0.124 2.177 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -10.831 -1.329 1.215 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -12.195 -0.930 0.143 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -10.552 -0.383 -0.266 1.00 0.00 H new ATOM 225 N THR A 14 -11.188 3.521 1.858 1.00 0.00 N ATOM 226 CA THR A 14 -11.206 4.735 2.657 1.00 0.00 C ATOM 227 C THR A 14 -10.716 5.933 1.849 1.00 0.00 C ATOM 228 O THR A 14 -10.965 7.086 2.210 1.00 0.00 O ATOM 229 CB THR A 14 -10.318 4.554 3.898 1.00 0.00 C ATOM 230 OG1 THR A 14 -9.100 3.900 3.514 1.00 0.00 O ATOM 231 CG2 THR A 14 -11.026 3.732 4.963 1.00 0.00 C ATOM 0 H THR A 14 -10.290 3.037 1.855 1.00 0.00 H new ATOM 0 HA THR A 14 -12.235 4.924 2.964 1.00 0.00 H new ATOM 0 HB THR A 14 -10.100 5.536 4.317 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.361 4.543 3.540 1.00 0.00 H new ATOM 0 HG21 THR A 14 -10.374 3.620 5.829 1.00 0.00 H new ATOM 0 HG22 THR A 14 -11.944 4.238 5.262 1.00 0.00 H new ATOM 0 HG23 THR A 14 -11.268 2.748 4.562 1.00 0.00 H new ATOM 239 N LYS A 15 -10.034 5.632 0.746 1.00 0.00 N ATOM 240 CA LYS A 15 -9.416 6.633 -0.118 1.00 0.00 C ATOM 241 C LYS A 15 -8.298 7.367 0.614 1.00 0.00 C ATOM 242 O LYS A 15 -8.520 8.384 1.272 1.00 0.00 O ATOM 243 CB LYS A 15 -10.447 7.615 -0.689 1.00 0.00 C ATOM 244 CG LYS A 15 -9.876 8.523 -1.767 1.00 0.00 C ATOM 245 CD LYS A 15 -10.972 9.188 -2.579 1.00 0.00 C ATOM 246 CE LYS A 15 -10.393 10.019 -3.711 1.00 0.00 C ATOM 247 NZ LYS A 15 -11.455 10.518 -4.626 1.00 0.00 N ATOM 0 H LYS A 15 -9.894 4.674 0.424 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.978 6.106 -0.965 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -11.284 7.053 -1.102 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -10.843 8.228 0.121 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -9.250 9.287 -1.305 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -9.234 7.942 -2.429 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -11.638 8.427 -2.987 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.574 9.823 -1.930 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.842 10.864 -3.297 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.679 9.419 -4.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.022 11.081 -5.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -11.964 9.711 -5.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -12.122 11.111 -4.093 1.00 0.00 H new ATOM 261 N GLY A 16 -7.100 6.813 0.501 1.00 0.00 N ATOM 262 CA GLY A 16 -5.938 7.380 1.147 1.00 0.00 C ATOM 263 C GLY A 16 -4.653 6.834 0.558 1.00 0.00 C ATOM 264 O GLY A 16 -4.693 6.035 -0.383 1.00 0.00 O ATOM 0 H GLY A 16 -6.912 5.967 -0.036 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -5.955 8.465 1.042 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -5.971 7.162 2.215 1.00 0.00 H new ATOM 268 N ARG A 17 -3.524 7.243 1.126 1.00 0.00 N ATOM 269 CA ARG A 17 -2.209 6.877 0.630 1.00 0.00 C ATOM 270 C ARG A 17 -1.954 5.364 0.650 1.00 0.00 C ATOM 271 O ARG A 17 -2.665 4.601 1.310 1.00 0.00 O ATOM 272 CB ARG A 17 -1.158 7.572 1.485 1.00 0.00 C ATOM 273 CG ARG A 17 -1.252 7.209 2.958 1.00 0.00 C ATOM 274 CD ARG A 17 -0.039 7.684 3.740 1.00 0.00 C ATOM 275 NE ARG A 17 -0.181 7.410 5.170 1.00 0.00 N ATOM 276 CZ ARG A 17 0.611 6.596 5.864 1.00 0.00 C ATOM 277 NH1 ARG A 17 1.603 5.947 5.273 1.00 0.00 N ATOM 278 NH2 ARG A 17 0.398 6.420 7.160 1.00 0.00 N ATOM 0 H ARG A 17 -3.499 7.843 1.951 1.00 0.00 H new ATOM 0 HA ARG A 17 -2.153 7.193 -0.412 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -0.167 7.311 1.115 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.265 8.651 1.375 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -2.153 7.651 3.383 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.348 6.128 3.060 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.856 7.190 3.361 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.098 8.754 3.586 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.939 7.875 5.670 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.768 6.068 4.274 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.202 5.326 5.817 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.370 6.907 7.621 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.002 5.797 7.696 1.00 0.00 H new ATOM 292 N LEU A 18 -0.918 4.959 -0.077 1.00 0.00 N ATOM 293 CA LEU A 18 -0.463 3.573 -0.127 1.00 0.00 C ATOM 294 C LEU A 18 1.058 3.538 -0.091 1.00 0.00 C ATOM 295 O LEU A 18 1.715 4.233 -0.865 1.00 0.00 O ATOM 296 CB LEU A 18 -0.965 2.893 -1.405 1.00 0.00 C ATOM 297 CG LEU A 18 -2.433 2.469 -1.390 1.00 0.00 C ATOM 298 CD1 LEU A 18 -2.893 2.093 -2.789 1.00 0.00 C ATOM 299 CD2 LEU A 18 -2.631 1.302 -0.434 1.00 0.00 C ATOM 0 H LEU A 18 -0.364 5.591 -0.655 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.863 3.037 0.734 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.810 3.573 -2.243 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.352 2.011 -1.592 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.035 3.310 -1.046 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.941 1.794 -2.759 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.779 2.951 -3.452 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.289 1.265 -3.160 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.681 1.008 -0.431 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.019 0.460 -0.757 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.335 1.601 0.572 1.00 0.00 H new ATOM 311 N GLU A 19 1.619 2.748 0.811 1.00 0.00 N ATOM 312 CA GLU A 19 3.064 2.635 0.901 1.00 0.00 C ATOM 313 C GLU A 19 3.550 1.512 -0.002 1.00 0.00 C ATOM 314 O GLU A 19 3.233 0.338 0.216 1.00 0.00 O ATOM 315 CB GLU A 19 3.507 2.399 2.346 1.00 0.00 C ATOM 316 CG GLU A 19 3.052 3.487 3.313 1.00 0.00 C ATOM 317 CD GLU A 19 3.411 4.894 2.858 1.00 0.00 C ATOM 318 OE1 GLU A 19 4.599 5.161 2.586 1.00 0.00 O ATOM 319 OE2 GLU A 19 2.505 5.752 2.807 1.00 0.00 O ATOM 0 H GLU A 19 1.102 2.182 1.484 1.00 0.00 H new ATOM 0 HA GLU A 19 3.508 3.573 0.568 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.117 1.439 2.684 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.594 2.330 2.376 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.972 3.420 3.440 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.500 3.304 4.290 1.00 0.00 H new ATOM 326 N TYR A 20 4.297 1.881 -1.031 1.00 0.00 N ATOM 327 CA TYR A 20 4.770 0.925 -2.019 1.00 0.00 C ATOM 328 C TYR A 20 6.114 0.331 -1.610 1.00 0.00 C ATOM 329 O TYR A 20 7.144 1.005 -1.643 1.00 0.00 O ATOM 330 CB TYR A 20 4.883 1.595 -3.393 1.00 0.00 C ATOM 331 CG TYR A 20 5.300 0.656 -4.509 1.00 0.00 C ATOM 332 CD1 TYR A 20 4.521 -0.447 -4.841 1.00 0.00 C ATOM 333 CD2 TYR A 20 6.464 0.878 -5.237 1.00 0.00 C ATOM 334 CE1 TYR A 20 4.889 -1.300 -5.865 1.00 0.00 C ATOM 335 CE2 TYR A 20 6.839 0.027 -6.262 1.00 0.00 C ATOM 336 CZ TYR A 20 6.049 -1.061 -6.570 1.00 0.00 C ATOM 337 OH TYR A 20 6.408 -1.906 -7.598 1.00 0.00 O ATOM 0 H TYR A 20 4.590 2.843 -1.204 1.00 0.00 H new ATOM 0 HA TYR A 20 4.045 0.113 -2.078 1.00 0.00 H new ATOM 0 HB2 TYR A 20 3.921 2.040 -3.648 1.00 0.00 H new ATOM 0 HB3 TYR A 20 5.605 2.409 -3.330 1.00 0.00 H new ATOM 0 HD1 TYR A 20 3.613 -0.641 -4.289 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.086 1.728 -4.999 1.00 0.00 H new ATOM 0 HE1 TYR A 20 4.270 -2.150 -6.111 1.00 0.00 H new ATOM 0 HE2 TYR A 20 7.746 0.214 -6.818 1.00 0.00 H new ATOM 0 HH TYR A 20 7.342 -1.742 -7.846 1.00 0.00 H new ATOM 347 N HIS A 21 6.091 -0.929 -1.206 1.00 0.00 N ATOM 348 CA HIS A 21 7.314 -1.651 -0.894 1.00 0.00 C ATOM 349 C HIS A 21 7.558 -2.709 -1.965 1.00 0.00 C ATOM 350 O HIS A 21 6.791 -3.668 -2.093 1.00 0.00 O ATOM 351 CB HIS A 21 7.228 -2.297 0.496 1.00 0.00 C ATOM 352 CG HIS A 21 8.500 -2.965 0.926 1.00 0.00 C ATOM 353 ND1 HIS A 21 9.473 -2.334 1.667 1.00 0.00 N ATOM 354 CD2 HIS A 21 8.963 -4.213 0.691 1.00 0.00 C ATOM 355 CE1 HIS A 21 10.479 -3.165 1.863 1.00 0.00 C ATOM 356 NE2 HIS A 21 10.195 -4.315 1.281 1.00 0.00 N ATOM 0 H HIS A 21 5.237 -1.474 -1.086 1.00 0.00 H new ATOM 0 HA HIS A 21 8.149 -0.951 -0.881 1.00 0.00 H new ATOM 0 HB2 HIS A 21 6.963 -1.533 1.227 1.00 0.00 H new ATOM 0 HB3 HIS A 21 6.423 -3.032 0.497 1.00 0.00 H new ATOM 0 HD2 HIS A 21 8.454 -4.989 0.138 1.00 0.00 H new ATOM 0 HE1 HIS A 21 11.384 -2.941 2.409 1.00 0.00 H new ATOM 0 HE2 HIS A 21 10.793 -5.141 1.272 1.00 0.00 H new ATOM 365 N GLN A 22 8.626 -2.542 -2.729 1.00 0.00 N ATOM 366 CA GLN A 22 8.862 -3.394 -3.883 1.00 0.00 C ATOM 367 C GLN A 22 9.704 -4.611 -3.515 1.00 0.00 C ATOM 368 O GLN A 22 10.930 -4.590 -3.594 1.00 0.00 O ATOM 369 CB GLN A 22 9.521 -2.599 -5.011 1.00 0.00 C ATOM 370 CG GLN A 22 9.646 -3.377 -6.310 1.00 0.00 C ATOM 371 CD GLN A 22 9.976 -2.486 -7.488 1.00 0.00 C ATOM 372 OE1 GLN A 22 9.079 -1.962 -8.148 1.00 0.00 O ATOM 373 NE2 GLN A 22 11.256 -2.309 -7.767 1.00 0.00 N ATOM 0 H GLN A 22 9.339 -1.829 -2.572 1.00 0.00 H new ATOM 0 HA GLN A 22 7.896 -3.757 -4.233 1.00 0.00 H new ATOM 0 HB2 GLN A 22 8.941 -1.694 -5.193 1.00 0.00 H new ATOM 0 HB3 GLN A 22 10.513 -2.283 -4.690 1.00 0.00 H new ATOM 0 HG2 GLN A 22 10.422 -4.135 -6.203 1.00 0.00 H new ATOM 0 HG3 GLN A 22 8.712 -3.903 -6.506 1.00 0.00 H new ATOM 0 HE21 GLN A 22 11.970 -2.761 -7.196 1.00 0.00 H new ATOM 0 HE22 GLN A 22 11.530 -1.720 -8.554 1.00 0.00 H new ATOM 382 N ASP A 23 9.023 -5.653 -3.066 1.00 0.00 N ATOM 383 CA ASP A 23 9.658 -6.941 -2.807 1.00 0.00 C ATOM 384 C ASP A 23 8.744 -8.067 -3.258 1.00 0.00 C ATOM 385 O ASP A 23 9.057 -8.809 -4.189 1.00 0.00 O ATOM 386 CB ASP A 23 9.995 -7.111 -1.324 1.00 0.00 C ATOM 387 CG ASP A 23 11.439 -6.769 -1.011 1.00 0.00 C ATOM 388 OD1 ASP A 23 12.335 -7.503 -1.470 1.00 0.00 O ATOM 389 OD2 ASP A 23 11.684 -5.780 -0.291 1.00 0.00 O ATOM 0 H ASP A 23 8.022 -5.634 -2.871 1.00 0.00 H new ATOM 0 HA ASP A 23 10.590 -6.975 -3.371 1.00 0.00 H new ATOM 0 HB2 ASP A 23 9.338 -6.475 -0.731 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.796 -8.140 -1.026 1.00 0.00 H new ATOM 394 N LYS A 24 7.599 -8.179 -2.601 1.00 0.00 N ATOM 395 CA LYS A 24 6.598 -9.171 -2.969 1.00 0.00 C ATOM 396 C LYS A 24 5.501 -8.514 -3.794 1.00 0.00 C ATOM 397 O LYS A 24 4.445 -9.107 -4.026 1.00 0.00 O ATOM 398 CB LYS A 24 5.985 -9.795 -1.716 1.00 0.00 C ATOM 399 CG LYS A 24 7.011 -10.315 -0.725 1.00 0.00 C ATOM 400 CD LYS A 24 6.348 -10.842 0.536 1.00 0.00 C ATOM 401 CE LYS A 24 7.372 -11.154 1.614 1.00 0.00 C ATOM 402 NZ LYS A 24 6.731 -11.635 2.867 1.00 0.00 N ATOM 0 H LYS A 24 7.339 -7.593 -1.808 1.00 0.00 H new ATOM 0 HA LYS A 24 7.080 -9.952 -3.557 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.359 -9.053 -1.221 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.332 -10.616 -2.013 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.597 -11.109 -1.189 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.706 -9.516 -0.466 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.637 -10.105 0.910 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.780 -11.742 0.301 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.065 -11.911 1.248 1.00 0.00 H new ATOM 0 HE3 LYS A 24 7.959 -10.260 1.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.464 -11.837 3.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.088 -10.903 3.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.192 -12.502 2.670 1.00 0.00 H new ATOM 416 N GLN A 25 5.784 -7.295 -4.257 1.00 0.00 N ATOM 417 CA GLN A 25 4.793 -6.445 -4.909 1.00 0.00 C ATOM 418 C GLN A 25 3.526 -6.333 -4.067 1.00 0.00 C ATOM 419 O GLN A 25 2.480 -6.876 -4.416 1.00 0.00 O ATOM 420 CB GLN A 25 4.476 -6.962 -6.312 1.00 0.00 C ATOM 421 CG GLN A 25 5.693 -7.005 -7.222 1.00 0.00 C ATOM 422 CD GLN A 25 6.302 -5.637 -7.467 1.00 0.00 C ATOM 423 OE1 GLN A 25 7.507 -5.513 -7.671 1.00 0.00 O ATOM 424 NE2 GLN A 25 5.475 -4.602 -7.456 1.00 0.00 N ATOM 0 H GLN A 25 6.709 -6.871 -4.189 1.00 0.00 H new ATOM 0 HA GLN A 25 5.217 -5.445 -5.004 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.051 -7.963 -6.236 1.00 0.00 H new ATOM 0 HB3 GLN A 25 3.715 -6.326 -6.764 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.446 -7.658 -6.781 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.409 -7.446 -8.177 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.480 -4.746 -7.283 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.833 -3.661 -7.621 1.00 0.00 H new ATOM 433 N GLU A 26 3.636 -5.646 -2.940 1.00 0.00 N ATOM 434 CA GLU A 26 2.515 -5.471 -2.042 1.00 0.00 C ATOM 435 C GLU A 26 2.279 -3.993 -1.758 1.00 0.00 C ATOM 436 O GLU A 26 3.230 -3.214 -1.652 1.00 0.00 O ATOM 437 CB GLU A 26 2.786 -6.197 -0.727 1.00 0.00 C ATOM 438 CG GLU A 26 3.063 -7.684 -0.873 1.00 0.00 C ATOM 439 CD GLU A 26 3.326 -8.352 0.461 1.00 0.00 C ATOM 440 OE1 GLU A 26 4.406 -8.125 1.041 1.00 0.00 O ATOM 441 OE2 GLU A 26 2.452 -9.113 0.932 1.00 0.00 O ATOM 0 H GLU A 26 4.498 -5.200 -2.628 1.00 0.00 H new ATOM 0 HA GLU A 26 1.627 -5.887 -2.518 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.639 -5.728 -0.237 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.927 -6.063 -0.069 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.212 -8.164 -1.356 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.924 -7.829 -1.526 1.00 0.00 H new ATOM 448 N LEU A 27 1.019 -3.612 -1.649 1.00 0.00 N ATOM 449 CA LEU A 27 0.670 -2.274 -1.206 1.00 0.00 C ATOM 450 C LEU A 27 0.144 -2.338 0.218 1.00 0.00 C ATOM 451 O LEU A 27 -0.842 -3.027 0.496 1.00 0.00 O ATOM 452 CB LEU A 27 -0.369 -1.637 -2.132 1.00 0.00 C ATOM 453 CG LEU A 27 0.159 -1.209 -3.503 1.00 0.00 C ATOM 454 CD1 LEU A 27 -0.961 -0.626 -4.351 1.00 0.00 C ATOM 455 CD2 LEU A 27 1.292 -0.205 -3.348 1.00 0.00 C ATOM 0 H LEU A 27 0.220 -4.210 -1.861 1.00 0.00 H new ATOM 0 HA LEU A 27 1.564 -1.651 -1.237 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.185 -2.345 -2.279 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.791 -0.764 -1.634 1.00 0.00 H new ATOM 0 HG LEU A 27 0.548 -2.091 -4.012 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.565 -0.328 -5.322 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.739 -1.376 -4.491 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.383 0.244 -3.848 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.655 0.088 -4.333 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.928 0.675 -2.818 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.105 -0.659 -2.782 1.00 0.00 H new ATOM 467 N TRP A 28 0.809 -1.630 1.116 1.00 0.00 N ATOM 468 CA TRP A 28 0.468 -1.685 2.528 1.00 0.00 C ATOM 469 C TRP A 28 -0.370 -0.474 2.908 1.00 0.00 C ATOM 470 O TRP A 28 -0.007 0.664 2.600 1.00 0.00 O ATOM 471 CB TRP A 28 1.735 -1.740 3.393 1.00 0.00 C ATOM 472 CG TRP A 28 2.536 -3.005 3.250 1.00 0.00 C ATOM 473 CD1 TRP A 28 2.319 -4.033 2.375 1.00 0.00 C ATOM 474 CD2 TRP A 28 3.689 -3.373 4.017 1.00 0.00 C ATOM 475 NE1 TRP A 28 3.267 -5.012 2.552 1.00 0.00 N ATOM 476 CE2 TRP A 28 4.116 -4.630 3.555 1.00 0.00 C ATOM 477 CE3 TRP A 28 4.399 -2.759 5.054 1.00 0.00 C ATOM 478 CZ2 TRP A 28 5.223 -5.282 4.091 1.00 0.00 C ATOM 479 CZ3 TRP A 28 5.496 -3.408 5.585 1.00 0.00 C ATOM 480 CH2 TRP A 28 5.900 -4.657 5.102 1.00 0.00 C ATOM 0 H TRP A 28 1.588 -1.011 0.892 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.110 -2.592 2.707 1.00 0.00 H new ATOM 0 HB2 TRP A 28 2.371 -0.892 3.138 1.00 0.00 H new ATOM 0 HB3 TRP A 28 1.451 -1.622 4.439 1.00 0.00 H new ATOM 0 HD1 TRP A 28 1.519 -4.070 1.650 1.00 0.00 H new ATOM 0 HE1 TRP A 28 3.328 -5.882 2.022 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.095 -1.794 5.433 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 5.536 -6.247 3.722 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 6.051 -2.944 6.386 1.00 0.00 H new ATOM 0 HH2 TRP A 28 6.764 -5.138 5.536 1.00 0.00 H new ATOM 491 N SER A 29 -1.494 -0.716 3.565 1.00 0.00 N ATOM 492 CA SER A 29 -2.370 0.362 3.976 1.00 0.00 C ATOM 493 C SER A 29 -2.865 0.121 5.395 1.00 0.00 C ATOM 494 O SER A 29 -3.762 -0.692 5.627 1.00 0.00 O ATOM 495 CB SER A 29 -3.547 0.487 3.006 1.00 0.00 C ATOM 496 OG SER A 29 -4.265 1.690 3.218 1.00 0.00 O ATOM 0 H SER A 29 -1.818 -1.648 3.823 1.00 0.00 H new ATOM 0 HA SER A 29 -1.812 1.298 3.959 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.180 0.456 1.980 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.216 -0.365 3.131 1.00 0.00 H new ATOM 0 HG SER A 29 -4.584 2.036 2.359 1.00 0.00 H new ATOM 502 N ARG A 30 -2.269 0.826 6.347 1.00 0.00 N ATOM 503 CA ARG A 30 -2.609 0.647 7.752 1.00 0.00 C ATOM 504 C ARG A 30 -3.977 1.249 8.067 1.00 0.00 C ATOM 505 O ARG A 30 -4.581 0.929 9.088 1.00 0.00 O ATOM 506 CB ARG A 30 -1.542 1.273 8.650 1.00 0.00 C ATOM 507 CG ARG A 30 -1.720 0.931 10.118 1.00 0.00 C ATOM 508 CD ARG A 30 -0.670 1.601 10.980 1.00 0.00 C ATOM 509 NE ARG A 30 -0.742 3.057 10.908 1.00 0.00 N ATOM 510 CZ ARG A 30 -0.026 3.864 11.685 1.00 0.00 C ATOM 511 NH1 ARG A 30 0.805 3.355 12.584 1.00 0.00 N ATOM 512 NH2 ARG A 30 -0.151 5.179 11.572 1.00 0.00 N ATOM 0 H ARG A 30 -1.548 1.526 6.172 1.00 0.00 H new ATOM 0 HA ARG A 30 -2.650 -0.424 7.950 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.558 0.938 8.322 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -1.566 2.356 8.531 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.712 1.241 10.446 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -1.664 -0.150 10.249 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -0.796 1.284 12.015 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.320 1.272 10.664 1.00 0.00 H new ATOM 0 HE ARG A 30 -1.374 3.477 10.227 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.895 2.344 12.680 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.354 3.975 13.180 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.797 5.573 10.888 1.00 0.00 H new ATOM 0 HH22 ARG A 30 0.399 5.797 12.169 1.00 0.00 H new ATOM 526 N GLN A 31 -4.472 2.102 7.179 1.00 0.00 N ATOM 527 CA GLN A 31 -5.773 2.716 7.361 1.00 0.00 C ATOM 528 C GLN A 31 -6.878 1.672 7.190 1.00 0.00 C ATOM 529 O GLN A 31 -8.005 1.860 7.646 1.00 0.00 O ATOM 530 CB GLN A 31 -5.934 3.869 6.373 1.00 0.00 C ATOM 531 CG GLN A 31 -6.087 3.439 4.927 1.00 0.00 C ATOM 532 CD GLN A 31 -5.884 4.586 3.957 1.00 0.00 C ATOM 533 OE1 GLN A 31 -6.820 5.317 3.630 1.00 0.00 O ATOM 534 NE2 GLN A 31 -4.662 4.738 3.473 1.00 0.00 N ATOM 0 H GLN A 31 -3.988 2.382 6.326 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.852 3.117 8.372 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -6.806 4.457 6.659 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -5.067 4.525 6.454 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.368 2.650 4.708 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -7.080 3.015 4.780 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -3.914 4.111 3.770 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -4.468 5.482 2.803 1.00 0.00 H new ATOM 543 N ALA A 32 -6.539 0.566 6.536 1.00 0.00 N ATOM 544 CA ALA A 32 -7.438 -0.572 6.426 1.00 0.00 C ATOM 545 C ALA A 32 -6.897 -1.730 7.255 1.00 0.00 C ATOM 546 O ALA A 32 -7.574 -2.737 7.466 1.00 0.00 O ATOM 547 CB ALA A 32 -7.602 -0.984 4.972 1.00 0.00 C ATOM 0 H ALA A 32 -5.640 0.436 6.071 1.00 0.00 H new ATOM 0 HA ALA A 32 -8.419 -0.290 6.808 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -8.278 -1.837 4.910 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -8.015 -0.151 4.402 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.631 -1.260 4.560 1.00 0.00 H new ATOM 553 N LYS A 33 -5.658 -1.551 7.723 1.00 0.00 N ATOM 554 CA LYS A 33 -4.952 -2.531 8.550 1.00 0.00 C ATOM 555 C LYS A 33 -4.644 -3.803 7.769 1.00 0.00 C ATOM 556 O LYS A 33 -4.417 -4.864 8.355 1.00 0.00 O ATOM 557 CB LYS A 33 -5.758 -2.869 9.808 1.00 0.00 C ATOM 558 CG LYS A 33 -6.006 -1.681 10.727 1.00 0.00 C ATOM 559 CD LYS A 33 -6.819 -2.092 11.944 1.00 0.00 C ATOM 560 CE LYS A 33 -6.094 -3.144 12.769 1.00 0.00 C ATOM 561 NZ LYS A 33 -6.931 -3.651 13.885 1.00 0.00 N ATOM 0 H LYS A 33 -5.111 -0.711 7.535 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.007 -2.079 8.850 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.718 -3.290 9.509 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.231 -3.643 10.367 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.053 -1.260 11.047 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.533 -0.898 10.181 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.018 -1.217 12.562 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.785 -2.482 11.623 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.807 -3.975 12.125 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.174 -2.719 13.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.399 -4.366 14.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.184 -2.863 14.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.797 -4.080 13.502 1.00 0.00 H new ATOM 575 N LEU A 34 -4.589 -3.685 6.452 1.00 0.00 N ATOM 576 CA LEU A 34 -4.397 -4.850 5.604 1.00 0.00 C ATOM 577 C LEU A 34 -3.318 -4.606 4.556 1.00 0.00 C ATOM 578 O LEU A 34 -2.810 -3.491 4.402 1.00 0.00 O ATOM 579 CB LEU A 34 -5.702 -5.207 4.890 1.00 0.00 C ATOM 580 CG LEU A 34 -6.919 -5.448 5.791 1.00 0.00 C ATOM 581 CD1 LEU A 34 -8.174 -5.607 4.951 1.00 0.00 C ATOM 582 CD2 LEU A 34 -6.710 -6.678 6.659 1.00 0.00 C ATOM 0 H LEU A 34 -4.674 -2.801 5.950 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.084 -5.672 6.248 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.944 -4.403 4.195 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.533 -6.104 4.294 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.039 -4.582 6.443 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -9.030 -5.777 5.604 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.338 -4.701 4.367 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -8.056 -6.456 4.278 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.585 -6.831 7.290 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -6.564 -7.551 6.023 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.830 -6.535 7.287 1.00 0.00 H new ATOM 594 N ALA A 35 -2.993 -5.667 3.841 1.00 0.00 N ATOM 595 CA ALA A 35 -2.070 -5.614 2.721 1.00 0.00 C ATOM 596 C ALA A 35 -2.519 -6.590 1.647 1.00 0.00 C ATOM 597 O ALA A 35 -2.969 -7.696 1.956 1.00 0.00 O ATOM 598 CB ALA A 35 -0.655 -5.939 3.168 1.00 0.00 C ATOM 0 H ALA A 35 -3.366 -6.599 4.023 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.070 -4.602 2.315 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.017 -5.893 2.311 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.336 -5.216 3.919 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.630 -6.941 3.595 1.00 0.00 H new ATOM 604 N TYR A 36 -2.399 -6.190 0.395 1.00 0.00 N ATOM 605 CA TYR A 36 -2.830 -7.031 -0.709 1.00 0.00 C ATOM 606 C TYR A 36 -1.767 -7.081 -1.801 1.00 0.00 C ATOM 607 O TYR A 36 -1.051 -6.102 -2.031 1.00 0.00 O ATOM 608 CB TYR A 36 -4.172 -6.536 -1.267 1.00 0.00 C ATOM 609 CG TYR A 36 -4.212 -5.052 -1.576 1.00 0.00 C ATOM 610 CD1 TYR A 36 -4.522 -4.125 -0.587 1.00 0.00 C ATOM 611 CD2 TYR A 36 -3.946 -4.580 -2.854 1.00 0.00 C ATOM 612 CE1 TYR A 36 -4.565 -2.773 -0.862 1.00 0.00 C ATOM 613 CE2 TYR A 36 -3.986 -3.228 -3.137 1.00 0.00 C ATOM 614 CZ TYR A 36 -4.296 -2.329 -2.139 1.00 0.00 C ATOM 615 OH TYR A 36 -4.342 -0.983 -2.421 1.00 0.00 O ATOM 0 H TYR A 36 -2.008 -5.290 0.116 1.00 0.00 H new ATOM 0 HA TYR A 36 -2.970 -8.045 -0.335 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -4.400 -7.091 -2.177 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -4.958 -6.766 -0.548 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -4.733 -4.469 0.415 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -3.704 -5.280 -3.640 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -4.808 -2.067 -0.081 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.775 -2.877 -4.136 1.00 0.00 H new ATOM 0 HH TYR A 36 -4.080 -0.835 -3.354 1.00 0.00 H new ATOM 625 N PRO A 37 -1.637 -8.239 -2.467 1.00 0.00 N ATOM 626 CA PRO A 37 -0.651 -8.436 -3.530 1.00 0.00 C ATOM 627 C PRO A 37 -1.000 -7.659 -4.798 1.00 0.00 C ATOM 628 O PRO A 37 -2.172 -7.472 -5.130 1.00 0.00 O ATOM 629 CB PRO A 37 -0.703 -9.943 -3.790 1.00 0.00 C ATOM 630 CG PRO A 37 -2.076 -10.347 -3.382 1.00 0.00 C ATOM 631 CD PRO A 37 -2.442 -9.452 -2.230 1.00 0.00 C ATOM 0 HA PRO A 37 0.336 -8.076 -3.242 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.518 -10.171 -4.840 1.00 0.00 H new ATOM 0 HB3 PRO A 37 0.054 -10.472 -3.211 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.779 -10.230 -4.207 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.103 -11.396 -3.086 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.509 -9.230 -2.218 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.201 -9.912 -1.272 1.00 0.00 H new ATOM 639 N ILE A 38 0.029 -7.202 -5.491 1.00 0.00 N ATOM 640 CA ILE A 38 -0.144 -6.452 -6.722 1.00 0.00 C ATOM 641 C ILE A 38 0.325 -7.271 -7.915 1.00 0.00 C ATOM 642 O ILE A 38 1.369 -7.920 -7.859 1.00 0.00 O ATOM 643 CB ILE A 38 0.641 -5.121 -6.677 1.00 0.00 C ATOM 644 CG1 ILE A 38 0.222 -4.298 -5.459 1.00 0.00 C ATOM 645 CG2 ILE A 38 0.426 -4.323 -7.955 1.00 0.00 C ATOM 646 CD1 ILE A 38 -1.267 -4.055 -5.379 1.00 0.00 C ATOM 0 H ILE A 38 1.002 -7.340 -5.218 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.206 -6.232 -6.827 1.00 0.00 H new ATOM 0 HB ILE A 38 1.703 -5.353 -6.594 1.00 0.00 H new ATOM 0 HG12 ILE A 38 0.547 -4.811 -4.554 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.738 -3.338 -5.484 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.988 -3.391 -7.901 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.771 -4.905 -8.810 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.635 -4.101 -8.071 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.492 -3.465 -4.491 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.596 -3.514 -6.267 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.789 -5.010 -5.322 1.00 0.00 H new ATOM 658 N LYS A 39 -0.448 -7.247 -8.990 1.00 0.00 N ATOM 659 CA LYS A 39 -0.075 -7.950 -10.205 1.00 0.00 C ATOM 660 C LYS A 39 0.500 -6.971 -11.226 1.00 0.00 C ATOM 661 O LYS A 39 -0.226 -6.419 -12.046 1.00 0.00 O ATOM 662 CB LYS A 39 -1.281 -8.699 -10.788 1.00 0.00 C ATOM 663 CG LYS A 39 -1.014 -9.359 -12.131 1.00 0.00 C ATOM 664 CD LYS A 39 0.116 -10.371 -12.057 1.00 0.00 C ATOM 665 CE LYS A 39 0.417 -10.943 -13.432 1.00 0.00 C ATOM 666 NZ LYS A 39 1.528 -11.928 -13.405 1.00 0.00 N ATOM 0 H LYS A 39 -1.336 -6.749 -9.045 1.00 0.00 H new ATOM 0 HA LYS A 39 0.693 -8.684 -9.961 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.599 -9.462 -10.077 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.110 -8.000 -10.898 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.921 -9.854 -12.478 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.767 -8.594 -12.867 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.010 -9.896 -11.652 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.155 -11.176 -11.374 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.479 -11.421 -13.828 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.672 -10.131 -14.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.695 -12.289 -14.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.392 -11.468 -13.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.276 -12.718 -12.777 1.00 0.00 H new ATOM 680 N ASP A 40 1.806 -6.731 -11.121 1.00 0.00 N ATOM 681 CA ASP A 40 2.540 -5.861 -12.048 1.00 0.00 C ATOM 682 C ASP A 40 1.828 -4.517 -12.256 1.00 0.00 C ATOM 683 O ASP A 40 1.736 -4.003 -13.373 1.00 0.00 O ATOM 684 CB ASP A 40 2.741 -6.586 -13.384 1.00 0.00 C ATOM 685 CG ASP A 40 3.704 -5.869 -14.314 1.00 0.00 C ATOM 686 OD1 ASP A 40 4.794 -5.459 -13.854 1.00 0.00 O ATOM 687 OD2 ASP A 40 3.389 -5.740 -15.517 1.00 0.00 O ATOM 0 H ASP A 40 2.390 -7.135 -10.389 1.00 0.00 H new ATOM 0 HA ASP A 40 3.513 -5.639 -11.609 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.113 -7.592 -13.192 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.777 -6.692 -13.881 1.00 0.00 H new ATOM 692 N GLY A 41 1.326 -3.948 -11.167 1.00 0.00 N ATOM 693 CA GLY A 41 0.663 -2.659 -11.245 1.00 0.00 C ATOM 694 C GLY A 41 -0.846 -2.782 -11.248 1.00 0.00 C ATOM 695 O GLY A 41 -1.555 -1.793 -11.419 1.00 0.00 O ATOM 0 H GLY A 41 1.366 -4.355 -10.232 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.972 -2.043 -10.400 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.984 -2.143 -12.150 1.00 0.00 H new ATOM 699 N ILE A 42 -1.330 -3.998 -11.059 1.00 0.00 N ATOM 700 CA ILE A 42 -2.759 -4.271 -11.036 1.00 0.00 C ATOM 701 C ILE A 42 -3.180 -4.745 -9.650 1.00 0.00 C ATOM 702 O ILE A 42 -3.083 -5.932 -9.336 1.00 0.00 O ATOM 703 CB ILE A 42 -3.168 -5.317 -12.096 1.00 0.00 C ATOM 704 CG1 ILE A 42 -2.730 -4.862 -13.489 1.00 0.00 C ATOM 705 CG2 ILE A 42 -4.671 -5.555 -12.066 1.00 0.00 C ATOM 706 CD1 ILE A 42 -3.331 -3.537 -13.922 1.00 0.00 C ATOM 0 H ILE A 42 -0.746 -4.822 -10.917 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.272 -3.340 -11.277 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.667 -6.256 -11.861 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.643 -4.780 -13.508 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.005 -5.628 -14.214 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.937 -6.295 -12.821 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.962 -5.920 -11.081 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -5.192 -4.620 -12.275 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.972 -3.283 -14.920 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.418 -3.618 -13.937 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.035 -2.757 -13.221 1.00 0.00 H new ATOM 718 N PRO A 43 -3.555 -3.804 -8.772 1.00 0.00 N ATOM 719 CA PRO A 43 -3.973 -4.116 -7.402 1.00 0.00 C ATOM 720 C PRO A 43 -5.286 -4.899 -7.352 1.00 0.00 C ATOM 721 O PRO A 43 -6.139 -4.764 -8.231 1.00 0.00 O ATOM 722 CB PRO A 43 -4.149 -2.737 -6.758 1.00 0.00 C ATOM 723 CG PRO A 43 -4.409 -1.812 -7.894 1.00 0.00 C ATOM 724 CD PRO A 43 -3.626 -2.356 -9.052 1.00 0.00 C ATOM 0 HA PRO A 43 -3.247 -4.750 -6.894 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -4.978 -2.735 -6.050 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -3.257 -2.443 -6.206 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -5.473 -1.769 -8.127 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.094 -0.797 -7.652 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -4.122 -2.155 -10.001 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.633 -1.910 -9.110 1.00 0.00 H new ATOM 732 N TYR A 44 -5.439 -5.718 -6.317 1.00 0.00 N ATOM 733 CA TYR A 44 -6.651 -6.496 -6.125 1.00 0.00 C ATOM 734 C TYR A 44 -7.176 -6.307 -4.712 1.00 0.00 C ATOM 735 O TYR A 44 -6.791 -7.029 -3.787 1.00 0.00 O ATOM 736 CB TYR A 44 -6.411 -7.985 -6.403 1.00 0.00 C ATOM 737 CG TYR A 44 -6.113 -8.296 -7.851 1.00 0.00 C ATOM 738 CD1 TYR A 44 -7.124 -8.282 -8.806 1.00 0.00 C ATOM 739 CD2 TYR A 44 -4.824 -8.604 -8.267 1.00 0.00 C ATOM 740 CE1 TYR A 44 -6.857 -8.564 -10.131 1.00 0.00 C ATOM 741 CE2 TYR A 44 -4.551 -8.886 -9.591 1.00 0.00 C ATOM 742 CZ TYR A 44 -5.569 -8.867 -10.518 1.00 0.00 C ATOM 743 OH TYR A 44 -5.298 -9.144 -11.838 1.00 0.00 O ATOM 0 H TYR A 44 -4.732 -5.859 -5.595 1.00 0.00 H new ATOM 0 HA TYR A 44 -7.395 -6.137 -6.836 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.579 -8.330 -5.789 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.291 -8.549 -6.094 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -8.135 -8.047 -8.506 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.022 -8.623 -7.543 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.653 -8.547 -10.861 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.543 -9.121 -9.898 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.343 -9.336 -11.942 1.00 0.00 H new ATOM 753 N MET A 45 -8.029 -5.312 -4.545 1.00 0.00 N ATOM 754 CA MET A 45 -8.619 -5.010 -3.246 1.00 0.00 C ATOM 755 C MET A 45 -9.754 -5.975 -2.929 1.00 0.00 C ATOM 756 O MET A 45 -10.927 -5.597 -2.928 1.00 0.00 O ATOM 757 CB MET A 45 -9.142 -3.566 -3.184 1.00 0.00 C ATOM 758 CG MET A 45 -8.071 -2.496 -3.330 1.00 0.00 C ATOM 759 SD MET A 45 -7.473 -2.325 -5.020 1.00 0.00 S ATOM 760 CE MET A 45 -6.437 -0.869 -4.861 1.00 0.00 C ATOM 0 H MET A 45 -8.333 -4.693 -5.297 1.00 0.00 H new ATOM 0 HA MET A 45 -7.831 -5.124 -2.502 1.00 0.00 H new ATOM 0 HB2 MET A 45 -9.884 -3.428 -3.971 1.00 0.00 H new ATOM 0 HB3 MET A 45 -9.655 -3.420 -2.233 1.00 0.00 H new ATOM 0 HG2 MET A 45 -8.472 -1.540 -2.994 1.00 0.00 H new ATOM 0 HG3 MET A 45 -7.233 -2.737 -2.676 1.00 0.00 H new ATOM 0 HE1 MET A 45 -6.752 -0.118 -5.585 1.00 0.00 H new ATOM 0 HE2 MET A 45 -6.531 -0.464 -3.854 1.00 0.00 H new ATOM 0 HE3 MET A 45 -5.398 -1.140 -5.047 1.00 0.00 H new ATOM 770 N LEU A 46 -9.403 -7.225 -2.697 1.00 0.00 N ATOM 771 CA LEU A 46 -10.364 -8.230 -2.294 1.00 0.00 C ATOM 772 C LEU A 46 -10.200 -8.524 -0.809 1.00 0.00 C ATOM 773 O LEU A 46 -9.091 -8.790 -0.352 1.00 0.00 O ATOM 774 CB LEU A 46 -10.157 -9.503 -3.117 1.00 0.00 C ATOM 775 CG LEU A 46 -10.376 -9.352 -4.625 1.00 0.00 C ATOM 776 CD1 LEU A 46 -10.060 -10.655 -5.339 1.00 0.00 C ATOM 777 CD2 LEU A 46 -11.805 -8.916 -4.915 1.00 0.00 C ATOM 0 H LEU A 46 -8.447 -7.570 -2.782 1.00 0.00 H new ATOM 0 HA LEU A 46 -11.374 -7.861 -2.471 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.142 -9.863 -2.949 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.834 -10.271 -2.744 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.700 -8.582 -4.998 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.221 -10.531 -6.410 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.020 -10.927 -5.157 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.712 -11.443 -4.963 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.943 -8.814 -5.991 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -12.499 -9.663 -4.530 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -11.998 -7.958 -4.432 1.00 0.00 H new ATOM 789 N GLU A 47 -11.299 -8.475 -0.064 1.00 0.00 N ATOM 790 CA GLU A 47 -11.260 -8.655 1.384 1.00 0.00 C ATOM 791 C GLU A 47 -10.742 -10.040 1.760 1.00 0.00 C ATOM 792 O GLU A 47 -10.132 -10.223 2.815 1.00 0.00 O ATOM 793 CB GLU A 47 -12.646 -8.441 1.996 1.00 0.00 C ATOM 794 CG GLU A 47 -13.116 -6.994 1.990 1.00 0.00 C ATOM 795 CD GLU A 47 -13.472 -6.489 0.607 1.00 0.00 C ATOM 796 OE1 GLU A 47 -14.479 -6.962 0.046 1.00 0.00 O ATOM 797 OE2 GLU A 47 -12.757 -5.614 0.082 1.00 0.00 O ATOM 0 H GLU A 47 -12.233 -8.311 -0.441 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.574 -7.909 1.784 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.369 -9.048 1.451 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -12.636 -8.803 3.024 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.986 -6.898 2.640 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.333 -6.363 2.410 1.00 0.00 H new ATOM 804 N ASN A 48 -10.989 -11.012 0.898 1.00 0.00 N ATOM 805 CA ASN A 48 -10.521 -12.371 1.140 1.00 0.00 C ATOM 806 C ASN A 48 -9.031 -12.495 0.862 1.00 0.00 C ATOM 807 O ASN A 48 -8.328 -13.245 1.527 1.00 0.00 O ATOM 808 CB ASN A 48 -11.305 -13.367 0.281 1.00 0.00 C ATOM 809 CG ASN A 48 -10.803 -14.792 0.426 1.00 0.00 C ATOM 810 OD1 ASN A 48 -11.217 -15.521 1.327 1.00 0.00 O ATOM 811 ND2 ASN A 48 -9.921 -15.205 -0.469 1.00 0.00 N ATOM 0 H ASN A 48 -11.508 -10.889 0.028 1.00 0.00 H new ATOM 0 HA ASN A 48 -10.691 -12.603 2.192 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -12.359 -13.328 0.558 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -11.239 -13.068 -0.765 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -9.560 -16.158 -0.427 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.602 -14.570 -1.201 1.00 0.00 H new ATOM 818 N GLU A 49 -8.555 -11.733 -0.102 1.00 0.00 N ATOM 819 CA GLU A 49 -7.167 -11.827 -0.536 1.00 0.00 C ATOM 820 C GLU A 49 -6.267 -10.898 0.275 1.00 0.00 C ATOM 821 O GLU A 49 -5.074 -11.161 0.435 1.00 0.00 O ATOM 822 CB GLU A 49 -7.061 -11.505 -2.026 1.00 0.00 C ATOM 823 CG GLU A 49 -7.792 -12.503 -2.912 1.00 0.00 C ATOM 824 CD GLU A 49 -7.164 -13.884 -2.889 1.00 0.00 C ATOM 825 OE1 GLU A 49 -7.364 -14.624 -1.902 1.00 0.00 O ATOM 826 OE2 GLU A 49 -6.469 -14.241 -3.863 1.00 0.00 O ATOM 0 H GLU A 49 -9.108 -11.038 -0.604 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.828 -12.849 -0.367 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.464 -10.508 -2.205 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.009 -11.479 -2.311 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.830 -12.576 -2.588 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.803 -12.131 -3.937 1.00 0.00 H new ATOM 833 N ALA A 50 -6.836 -9.810 0.777 1.00 0.00 N ATOM 834 CA ALA A 50 -6.092 -8.884 1.615 1.00 0.00 C ATOM 835 C ALA A 50 -5.927 -9.458 3.015 1.00 0.00 C ATOM 836 O ALA A 50 -6.906 -9.812 3.672 1.00 0.00 O ATOM 837 CB ALA A 50 -6.788 -7.532 1.667 1.00 0.00 C ATOM 0 H ALA A 50 -7.809 -9.549 0.618 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.103 -8.740 1.181 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.216 -6.852 2.299 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.857 -7.120 0.660 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.790 -7.654 2.079 1.00 0.00 H new ATOM 843 N ARG A 51 -4.688 -9.556 3.464 1.00 0.00 N ATOM 844 CA ARG A 51 -4.391 -10.124 4.762 1.00 0.00 C ATOM 845 C ARG A 51 -3.953 -9.033 5.729 1.00 0.00 C ATOM 846 O ARG A 51 -3.376 -8.027 5.308 1.00 0.00 O ATOM 847 CB ARG A 51 -3.290 -11.171 4.630 1.00 0.00 C ATOM 848 CG ARG A 51 -3.595 -12.271 3.626 1.00 0.00 C ATOM 849 CD ARG A 51 -4.890 -12.999 3.951 1.00 0.00 C ATOM 850 NE ARG A 51 -5.198 -14.015 2.947 1.00 0.00 N ATOM 851 CZ ARG A 51 -6.272 -14.806 2.980 1.00 0.00 C ATOM 852 NH1 ARG A 51 -7.169 -14.687 3.958 1.00 0.00 N ATOM 853 NH2 ARG A 51 -6.463 -15.701 2.018 1.00 0.00 N ATOM 0 H ARG A 51 -3.868 -9.246 2.943 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.292 -10.597 5.152 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.365 -10.674 4.338 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.115 -11.623 5.606 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.662 -11.841 2.627 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.772 -12.985 3.610 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -4.809 -13.468 4.932 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.708 -12.281 4.007 1.00 0.00 H new ATOM 0 HE ARG A 51 -4.548 -14.127 2.169 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.037 -13.987 4.688 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -7.987 -15.295 3.976 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -5.790 -15.783 1.256 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -7.283 -16.307 2.041 1.00 0.00 H new ATOM 867 N PRO A 52 -4.243 -9.201 7.029 1.00 0.00 N ATOM 868 CA PRO A 52 -3.827 -8.248 8.060 1.00 0.00 C ATOM 869 C PRO A 52 -2.311 -8.211 8.217 1.00 0.00 C ATOM 870 O PRO A 52 -1.625 -9.197 7.938 1.00 0.00 O ATOM 871 CB PRO A 52 -4.488 -8.776 9.345 1.00 0.00 C ATOM 872 CG PRO A 52 -5.517 -9.757 8.889 1.00 0.00 C ATOM 873 CD PRO A 52 -5.008 -10.322 7.595 1.00 0.00 C ATOM 0 HA PRO A 52 -4.122 -7.228 7.814 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -3.755 -9.251 9.997 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -4.943 -7.965 9.914 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -5.660 -10.545 9.629 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -6.483 -9.272 8.749 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.381 -11.199 7.755 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.823 -10.628 6.939 1.00 0.00 H new ATOM 881 N LEU A 53 -1.792 -7.076 8.662 1.00 0.00 N ATOM 882 CA LEU A 53 -0.367 -6.902 8.828 1.00 0.00 C ATOM 883 C LEU A 53 0.026 -7.130 10.270 1.00 0.00 C ATOM 884 O LEU A 53 -0.824 -7.147 11.163 1.00 0.00 O ATOM 885 CB LEU A 53 0.042 -5.494 8.398 1.00 0.00 C ATOM 886 CG LEU A 53 -0.013 -5.232 6.899 1.00 0.00 C ATOM 887 CD1 LEU A 53 0.217 -3.761 6.601 1.00 0.00 C ATOM 888 CD2 LEU A 53 1.014 -6.084 6.174 1.00 0.00 C ATOM 0 H LEU A 53 -2.347 -6.258 8.915 1.00 0.00 H new ATOM 0 HA LEU A 53 0.147 -7.632 8.203 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.606 -4.776 8.900 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.057 -5.306 8.747 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.006 -5.503 6.542 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.173 -3.597 5.524 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.554 -3.166 7.090 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.197 -3.463 6.974 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.962 -5.885 5.104 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.012 -5.841 6.540 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.807 -7.138 6.357 1.00 0.00 H new ATOM 900 N SER A 54 1.309 -7.301 10.496 1.00 0.00 N ATOM 901 CA SER A 54 1.813 -7.471 11.837 1.00 0.00 C ATOM 902 C SER A 54 2.081 -6.106 12.452 1.00 0.00 C ATOM 903 O SER A 54 2.203 -5.119 11.729 1.00 0.00 O ATOM 904 CB SER A 54 3.084 -8.305 11.817 1.00 0.00 C ATOM 905 OG SER A 54 2.948 -9.421 10.952 1.00 0.00 O ATOM 0 H SER A 54 2.022 -7.326 9.767 1.00 0.00 H new ATOM 0 HA SER A 54 1.071 -7.994 12.440 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.922 -7.689 11.492 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.313 -8.648 12.826 1.00 0.00 H new ATOM 0 HG SER A 54 3.609 -9.358 10.231 1.00 0.00 H new ATOM 911 N GLU A 55 2.177 -6.057 13.772 1.00 0.00 N ATOM 912 CA GLU A 55 2.383 -4.825 14.502 1.00 0.00 C ATOM 913 C GLU A 55 3.581 -4.043 13.979 1.00 0.00 C ATOM 914 O GLU A 55 3.467 -2.865 13.655 1.00 0.00 O ATOM 915 CB GLU A 55 2.608 -5.180 15.961 1.00 0.00 C ATOM 916 CG GLU A 55 1.438 -5.892 16.618 1.00 0.00 C ATOM 917 CD GLU A 55 0.169 -5.071 16.592 1.00 0.00 C ATOM 918 OE1 GLU A 55 -0.057 -4.297 17.545 1.00 0.00 O ATOM 919 OE2 GLU A 55 -0.614 -5.206 15.630 1.00 0.00 O ATOM 0 H GLU A 55 2.113 -6.882 14.368 1.00 0.00 H new ATOM 0 HA GLU A 55 1.505 -4.191 14.377 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.492 -5.813 16.037 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.821 -4.267 16.517 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.263 -6.841 16.110 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.694 -6.126 17.651 1.00 0.00 H new ATOM 926 N GLU A 56 4.722 -4.709 13.927 1.00 0.00 N ATOM 927 CA GLU A 56 5.950 -4.129 13.403 1.00 0.00 C ATOM 928 C GLU A 56 5.714 -3.504 12.029 1.00 0.00 C ATOM 929 O GLU A 56 6.053 -2.344 11.795 1.00 0.00 O ATOM 930 CB GLU A 56 6.999 -5.236 13.317 1.00 0.00 C ATOM 931 CG GLU A 56 8.415 -4.795 13.639 1.00 0.00 C ATOM 932 CD GLU A 56 9.033 -3.926 12.564 1.00 0.00 C ATOM 933 OE1 GLU A 56 9.406 -4.466 11.500 1.00 0.00 O ATOM 934 OE2 GLU A 56 9.172 -2.706 12.788 1.00 0.00 O ATOM 0 H GLU A 56 4.825 -5.672 14.248 1.00 0.00 H new ATOM 0 HA GLU A 56 6.296 -3.335 14.065 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.718 -6.037 14.000 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.984 -5.655 12.311 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.412 -4.247 14.581 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.038 -5.677 13.785 1.00 0.00 H new ATOM 941 N GLU A 57 5.113 -4.281 11.145 1.00 0.00 N ATOM 942 CA GLU A 57 4.760 -3.829 9.811 1.00 0.00 C ATOM 943 C GLU A 57 3.836 -2.613 9.861 1.00 0.00 C ATOM 944 O GLU A 57 4.101 -1.591 9.231 1.00 0.00 O ATOM 945 CB GLU A 57 4.087 -4.985 9.090 1.00 0.00 C ATOM 946 CG GLU A 57 5.008 -6.181 8.918 1.00 0.00 C ATOM 947 CD GLU A 57 4.290 -7.430 8.450 1.00 0.00 C ATOM 948 OE1 GLU A 57 3.496 -7.349 7.500 1.00 0.00 O ATOM 949 OE2 GLU A 57 4.531 -8.506 9.033 1.00 0.00 O ATOM 0 H GLU A 57 4.855 -5.249 11.334 1.00 0.00 H new ATOM 0 HA GLU A 57 5.659 -3.520 9.278 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.201 -5.290 9.648 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.747 -4.649 8.110 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.789 -5.929 8.200 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.503 -6.389 9.867 1.00 0.00 H new ATOM 956 N LEU A 58 2.754 -2.750 10.612 1.00 0.00 N ATOM 957 CA LEU A 58 1.801 -1.669 10.841 1.00 0.00 C ATOM 958 C LEU A 58 2.479 -0.392 11.327 1.00 0.00 C ATOM 959 O LEU A 58 2.229 0.693 10.801 1.00 0.00 O ATOM 960 CB LEU A 58 0.769 -2.116 11.871 1.00 0.00 C ATOM 961 CG LEU A 58 -0.153 -3.232 11.401 1.00 0.00 C ATOM 962 CD1 LEU A 58 -1.029 -3.721 12.539 1.00 0.00 C ATOM 963 CD2 LEU A 58 -1.009 -2.762 10.235 1.00 0.00 C ATOM 0 H LEU A 58 2.509 -3.620 11.084 1.00 0.00 H new ATOM 0 HA LEU A 58 1.322 -1.445 9.888 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.291 -2.448 12.769 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.162 -1.256 12.155 1.00 0.00 H new ATOM 0 HG LEU A 58 0.465 -4.064 11.063 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.680 -4.518 12.180 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.401 -4.100 13.345 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.637 -2.896 12.911 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.662 -3.573 9.913 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.615 -1.912 10.548 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.365 -2.464 9.408 1.00 0.00 H new ATOM 975 N LYS A 59 3.334 -0.524 12.329 1.00 0.00 N ATOM 976 CA LYS A 59 3.965 0.624 12.944 1.00 0.00 C ATOM 977 C LYS A 59 4.982 1.259 12.008 1.00 0.00 C ATOM 978 O LYS A 59 5.293 2.446 12.105 1.00 0.00 O ATOM 979 CB LYS A 59 4.640 0.207 14.237 1.00 0.00 C ATOM 980 CG LYS A 59 4.800 1.361 15.191 1.00 0.00 C ATOM 981 CD LYS A 59 5.568 0.981 16.445 1.00 0.00 C ATOM 982 CE LYS A 59 5.599 2.140 17.426 1.00 0.00 C ATOM 983 NZ LYS A 59 6.345 1.808 18.666 1.00 0.00 N ATOM 0 H LYS A 59 3.605 -1.421 12.732 1.00 0.00 H new ATOM 0 HA LYS A 59 3.194 1.364 13.158 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.054 -0.579 14.714 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.619 -0.217 14.014 1.00 0.00 H new ATOM 0 HG2 LYS A 59 5.318 2.176 14.686 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.815 1.734 15.472 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.103 0.114 16.914 1.00 0.00 H new ATOM 0 HD3 LYS A 59 6.586 0.694 16.181 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.059 3.005 16.948 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.578 2.423 17.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.339 2.629 19.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.892 0.999 19.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.327 1.563 18.426 1.00 0.00 H new ATOM 997 N ALA A 60 5.486 0.459 11.094 1.00 0.00 N ATOM 998 CA ALA A 60 6.437 0.934 10.097 1.00 0.00 C ATOM 999 C ALA A 60 5.715 1.549 8.903 1.00 0.00 C ATOM 1000 O ALA A 60 6.302 1.759 7.840 1.00 0.00 O ATOM 1001 CB ALA A 60 7.355 -0.197 9.646 1.00 0.00 C ATOM 0 H ALA A 60 5.255 -0.531 11.016 1.00 0.00 H new ATOM 0 HA ALA A 60 7.049 1.710 10.558 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.057 0.179 8.902 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.907 -0.582 10.504 1.00 0.00 H new ATOM 0 HB3 ALA A 60 6.758 -0.998 9.210 1.00 0.00 H new ATOM 1007 N LEU A 61 4.444 1.858 9.097 1.00 0.00 N ATOM 1008 CA LEU A 61 3.636 2.474 8.052 1.00 0.00 C ATOM 1009 C LEU A 61 3.247 3.889 8.427 1.00 0.00 C ATOM 1010 O LEU A 61 2.360 4.493 7.820 1.00 0.00 O ATOM 1011 CB LEU A 61 2.385 1.643 7.759 1.00 0.00 C ATOM 1012 CG LEU A 61 2.643 0.294 7.097 1.00 0.00 C ATOM 1013 CD1 LEU A 61 1.333 -0.433 6.859 1.00 0.00 C ATOM 1014 CD2 LEU A 61 3.398 0.483 5.790 1.00 0.00 C ATOM 0 H LEU A 61 3.946 1.692 9.971 1.00 0.00 H new ATOM 0 HA LEU A 61 4.244 2.511 7.148 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.853 1.475 8.695 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.724 2.225 7.116 1.00 0.00 H new ATOM 0 HG LEU A 61 3.257 -0.312 7.763 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.531 -1.395 6.386 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.828 -0.594 7.811 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.697 0.167 6.208 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.575 -0.488 5.328 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.808 1.103 5.115 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.353 0.970 5.988 1.00 0.00 H new ATOM 1026 N GLU A 62 3.928 4.422 9.415 1.00 0.00 N ATOM 1027 CA GLU A 62 3.701 5.792 9.825 1.00 0.00 C ATOM 1028 C GLU A 62 4.997 6.581 9.768 1.00 0.00 C ATOM 1029 O GLU A 62 6.089 6.011 9.793 1.00 0.00 O ATOM 1030 CB GLU A 62 3.078 5.876 11.222 1.00 0.00 C ATOM 1031 CG GLU A 62 3.918 5.265 12.332 1.00 0.00 C ATOM 1032 CD GLU A 62 3.326 5.524 13.703 1.00 0.00 C ATOM 1033 OE1 GLU A 62 2.395 4.795 14.102 1.00 0.00 O ATOM 1034 OE2 GLU A 62 3.773 6.473 14.380 1.00 0.00 O ATOM 0 H GLU A 62 4.643 3.930 9.950 1.00 0.00 H new ATOM 0 HA GLU A 62 2.988 6.231 9.127 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.893 6.924 11.460 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.109 5.378 11.203 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.004 4.190 12.172 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.927 5.675 12.290 1.00 0.00 H new ATOM 1041 N HIS A 63 4.858 7.888 9.663 1.00 0.00 N ATOM 1042 CA HIS A 63 5.993 8.789 9.559 1.00 0.00 C ATOM 1043 C HIS A 63 5.516 10.186 9.920 1.00 0.00 C ATOM 1044 O HIS A 63 6.065 11.189 9.462 1.00 0.00 O ATOM 1045 CB HIS A 63 6.541 8.760 8.125 1.00 0.00 C ATOM 1046 CG HIS A 63 7.984 9.151 8.006 1.00 0.00 C ATOM 1047 ND1 HIS A 63 8.999 8.228 7.897 1.00 0.00 N ATOM 1048 CD2 HIS A 63 8.578 10.365 7.949 1.00 0.00 C ATOM 1049 CE1 HIS A 63 10.153 8.855 7.778 1.00 0.00 C ATOM 1050 NE2 HIS A 63 9.926 10.154 7.805 1.00 0.00 N ATOM 0 H HIS A 63 3.953 8.358 9.647 1.00 0.00 H new ATOM 0 HA HIS A 63 6.792 8.486 10.235 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.415 7.756 7.721 1.00 0.00 H new ATOM 0 HB3 HIS A 63 5.943 9.430 7.507 1.00 0.00 H new ATOM 0 HD2 HIS A 63 8.083 11.323 8.006 1.00 0.00 H new ATOM 0 HE1 HIS A 63 11.120 8.385 7.676 1.00 0.00 H new ATOM 0 HE2 HIS A 63 10.636 10.882 7.731 1.00 0.00 H new ATOM 1059 N HIS A 64 4.484 10.223 10.768 1.00 0.00 N ATOM 1060 CA HIS A 64 3.745 11.446 11.094 1.00 0.00 C ATOM 1061 C HIS A 64 2.934 11.925 9.889 1.00 0.00 C ATOM 1062 O HIS A 64 1.727 12.143 9.991 1.00 0.00 O ATOM 1063 CB HIS A 64 4.677 12.551 11.606 1.00 0.00 C ATOM 1064 CG HIS A 64 5.331 12.211 12.911 1.00 0.00 C ATOM 1065 ND1 HIS A 64 4.795 12.556 14.128 1.00 0.00 N ATOM 1066 CD2 HIS A 64 6.471 11.534 13.184 1.00 0.00 C ATOM 1067 CE1 HIS A 64 5.573 12.108 15.094 1.00 0.00 C ATOM 1068 NE2 HIS A 64 6.599 11.482 14.548 1.00 0.00 N ATOM 0 H HIS A 64 4.135 9.396 11.252 1.00 0.00 H new ATOM 0 HA HIS A 64 3.051 11.208 11.901 1.00 0.00 H new ATOM 0 HB2 HIS A 64 5.448 12.743 10.859 1.00 0.00 H new ATOM 0 HB3 HIS A 64 4.108 13.474 11.721 1.00 0.00 H new ATOM 0 HD2 HIS A 64 7.154 11.113 12.461 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.400 12.232 16.153 1.00 0.00 H new ATOM 0 HE2 HIS A 64 7.361 11.034 15.057 1.00 0.00 H new ATOM 1077 N HIS A 65 3.596 12.077 8.751 1.00 0.00 N ATOM 1078 CA HIS A 65 2.925 12.416 7.504 1.00 0.00 C ATOM 1079 C HIS A 65 3.890 12.239 6.342 1.00 0.00 C ATOM 1080 O HIS A 65 5.105 12.188 6.542 1.00 0.00 O ATOM 1081 CB HIS A 65 2.380 13.855 7.529 1.00 0.00 C ATOM 1082 CG HIS A 65 3.424 14.918 7.687 1.00 0.00 C ATOM 1083 ND1 HIS A 65 3.730 15.502 8.896 1.00 0.00 N ATOM 1084 CD2 HIS A 65 4.228 15.506 6.774 1.00 0.00 C ATOM 1085 CE1 HIS A 65 4.678 16.402 8.715 1.00 0.00 C ATOM 1086 NE2 HIS A 65 4.998 16.423 7.436 1.00 0.00 N ATOM 0 H HIS A 65 4.607 11.970 8.666 1.00 0.00 H new ATOM 0 HA HIS A 65 2.075 11.745 7.380 1.00 0.00 H new ATOM 0 HB2 HIS A 65 1.832 14.038 6.604 1.00 0.00 H new ATOM 0 HB3 HIS A 65 1.664 13.944 8.346 1.00 0.00 H new ATOM 0 HD2 HIS A 65 4.257 15.292 5.716 1.00 0.00 H new ATOM 0 HE1 HIS A 65 5.118 17.018 9.485 1.00 0.00 H new ATOM 0 HE2 HIS A 65 5.704 17.024 7.010 1.00 0.00 H new ATOM 1095 N HIS A 66 3.357 12.136 5.137 1.00 0.00 N ATOM 1096 CA HIS A 66 4.195 12.058 3.951 1.00 0.00 C ATOM 1097 C HIS A 66 4.625 13.458 3.536 1.00 0.00 C ATOM 1098 O HIS A 66 3.935 14.120 2.761 1.00 0.00 O ATOM 1099 CB HIS A 66 3.456 11.378 2.793 1.00 0.00 C ATOM 1100 CG HIS A 66 4.011 10.037 2.407 1.00 0.00 C ATOM 1101 ND1 HIS A 66 4.885 9.852 1.354 1.00 0.00 N ATOM 1102 CD2 HIS A 66 3.792 8.807 2.928 1.00 0.00 C ATOM 1103 CE1 HIS A 66 5.175 8.567 1.247 1.00 0.00 C ATOM 1104 NE2 HIS A 66 4.525 7.912 2.191 1.00 0.00 N ATOM 0 H HIS A 66 2.354 12.104 4.953 1.00 0.00 H new ATOM 0 HA HIS A 66 5.073 11.459 4.192 1.00 0.00 H new ATOM 0 HB2 HIS A 66 2.408 11.259 3.067 1.00 0.00 H new ATOM 0 HB3 HIS A 66 3.486 12.034 1.923 1.00 0.00 H new ATOM 0 HD2 HIS A 66 3.157 8.573 3.770 1.00 0.00 H new ATOM 0 HE1 HIS A 66 5.833 8.127 0.512 1.00 0.00 H new ATOM 0 HE2 HIS A 66 4.562 6.905 2.347 1.00 0.00 H new ATOM 1113 N HIS A 67 5.746 13.924 4.087 1.00 0.00 N ATOM 1114 CA HIS A 67 6.272 15.244 3.742 1.00 0.00 C ATOM 1115 C HIS A 67 6.595 15.289 2.251 1.00 0.00 C ATOM 1116 O HIS A 67 6.430 16.318 1.594 1.00 0.00 O ATOM 1117 CB HIS A 67 7.514 15.586 4.592 1.00 0.00 C ATOM 1118 CG HIS A 67 8.743 14.784 4.274 1.00 0.00 C ATOM 1119 ND1 HIS A 67 9.766 15.268 3.493 1.00 0.00 N ATOM 1120 CD2 HIS A 67 9.114 13.533 4.639 1.00 0.00 C ATOM 1121 CE1 HIS A 67 10.709 14.356 3.387 1.00 0.00 C ATOM 1122 NE2 HIS A 67 10.339 13.292 4.071 1.00 0.00 N ATOM 0 H HIS A 67 6.304 13.411 4.770 1.00 0.00 H new ATOM 0 HA HIS A 67 5.514 15.996 3.962 1.00 0.00 H new ATOM 0 HB2 HIS A 67 7.745 16.643 4.461 1.00 0.00 H new ATOM 0 HB3 HIS A 67 7.267 15.441 5.644 1.00 0.00 H new ATOM 0 HD2 HIS A 67 8.551 12.853 5.261 1.00 0.00 H new ATOM 0 HE1 HIS A 67 11.630 14.462 2.833 1.00 0.00 H new ATOM 0 HE2 HIS A 67 10.876 12.430 4.163 1.00 0.00 H new ATOM 1131 N HIS A 68 7.035 14.145 1.742 1.00 0.00 N ATOM 1132 CA HIS A 68 7.270 13.935 0.325 1.00 0.00 C ATOM 1133 C HIS A 68 7.779 12.516 0.137 1.00 0.00 C ATOM 1134 O HIS A 68 6.961 11.578 0.250 1.00 0.00 O ATOM 1135 CB HIS A 68 8.284 14.933 -0.243 1.00 0.00 C ATOM 1136 CG HIS A 68 8.365 14.905 -1.740 1.00 0.00 C ATOM 1137 ND1 HIS A 68 8.878 13.838 -2.445 1.00 0.00 N ATOM 1138 CD2 HIS A 68 7.976 15.811 -2.666 1.00 0.00 C ATOM 1139 CE1 HIS A 68 8.800 14.088 -3.736 1.00 0.00 C ATOM 1140 NE2 HIS A 68 8.256 15.277 -3.898 1.00 0.00 N ATOM 1141 OXT HIS A 68 9.000 12.342 -0.065 1.00 0.00 O ATOM 0 H HIS A 68 7.241 13.326 2.314 1.00 0.00 H new ATOM 0 HA HIS A 68 6.335 14.089 -0.214 1.00 0.00 H new ATOM 0 HB2 HIS A 68 8.015 15.938 0.081 1.00 0.00 H new ATOM 0 HB3 HIS A 68 9.268 14.717 0.172 1.00 0.00 H new ATOM 0 HD1 HIS A 68 9.259 12.987 -2.032 1.00 0.00 H new ATOM 0 HD2 HIS A 68 7.529 16.775 -2.472 1.00 0.00 H new ATOM 0 HE1 HIS A 68 9.127 13.430 -4.528 1.00 0.00 H new TER 1150 HIS A 68