USER MOD reduce.3.24.130724 H: found=0, std=0, add=492, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 490 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 14 TYR OH : rot 180:sc= 0.0095 USER MOD Set 1.2: A 42 ASN : amide:sc= 0.0493 K(o=0.059,f=-1.2!) USER MOD Single : A 1 MET CE :methyl -172:sc= 0 (180deg=-0.105) USER MOD Single : A 1 MET N :NH3+ -170:sc= -0.0204 (180deg=-0.182) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -176:sc=-0.00174 (180deg=-0.0395) USER MOD Single : A 8 HIS : no HE2:sc= -0.314 K(o=-0.31,f=-1.3) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.0351 K(o=-0.035,f=-0.58) USER MOD Single : A 16 GLN : amide:sc= 0.329 K(o=0.33,f=-4.8!) USER MOD Single : A 18 THR OG1 : rot -77:sc= 0.732 USER MOD Single : A 23 ASN : amide:sc= -4.14! C(o=-4.1!,f=-7.1!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0.522 K(o=0.52,f=-5.8!) USER MOD Single : A 33 SER OG : rot -150:sc= -0.35 USER MOD Single : A 34 CYS SG : rot -102:sc= -3.79! USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.311 USER MOD Single : A 40 MET CE :methyl 166:sc= -0.0434 (180deg=-0.347) USER MOD Single : A 43 ASN : amide:sc= -0.252 K(o=-0.25,f=-3.4!) USER MOD Single : A 48 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0412) USER MOD Single : A 53 TYR OH : rot 180:sc= -0.0416 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= -0.687 (180deg=-0.687) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0667) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.127 1.121 -0.316 1.00 0.00 N ATOM 2 CA MET A 1 1.629 0.800 -1.680 1.00 0.00 C ATOM 3 C MET A 1 1.640 2.053 -2.569 1.00 0.00 C ATOM 4 O MET A 1 2.439 2.138 -3.506 1.00 0.00 O ATOM 5 CB MET A 1 0.789 -0.333 -2.334 1.00 0.00 C ATOM 6 CG MET A 1 0.877 -1.679 -1.598 1.00 0.00 C ATOM 7 SD MET A 1 2.581 -2.248 -1.381 1.00 0.00 S ATOM 8 CE MET A 1 3.125 -2.487 -3.077 1.00 0.00 C ATOM 0 H1 MET A 1 1.286 0.308 0.313 1.00 0.00 H new ATOM 0 H2 MET A 1 1.635 1.950 0.055 1.00 0.00 H new ATOM 0 H3 MET A 1 0.109 1.330 -0.361 1.00 0.00 H new ATOM 0 HA MET A 1 2.654 0.444 -1.582 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.254 -0.020 -2.375 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.122 -0.470 -3.363 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.403 -1.586 -0.621 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.316 -2.430 -2.154 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.103 -2.969 -3.081 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.408 -3.117 -3.604 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.195 -1.521 -3.576 1.00 0.00 H new ATOM 18 N LYS A 2 0.734 3.013 -2.271 1.00 0.00 N ATOM 19 CA LYS A 2 0.662 4.304 -2.971 1.00 0.00 C ATOM 20 C LYS A 2 1.970 5.097 -2.744 1.00 0.00 C ATOM 21 O LYS A 2 2.274 5.523 -1.617 1.00 0.00 O ATOM 22 CB LYS A 2 -0.569 5.116 -2.478 1.00 0.00 C ATOM 23 CG LYS A 2 -0.714 6.529 -3.103 1.00 0.00 C ATOM 24 CD LYS A 2 -1.848 7.358 -2.451 1.00 0.00 C ATOM 25 CE LYS A 2 -3.243 6.754 -2.672 1.00 0.00 C ATOM 26 NZ LYS A 2 -4.284 7.463 -1.886 1.00 0.00 N ATOM 0 H LYS A 2 0.034 2.908 -1.536 1.00 0.00 H new ATOM 0 HA LYS A 2 0.545 4.125 -4.040 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -1.472 4.545 -2.694 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -0.508 5.219 -1.395 1.00 0.00 H new ATOM 0 HG2 LYS A 2 0.229 7.066 -2.999 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -0.909 6.431 -4.171 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.660 7.440 -1.380 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -1.829 8.370 -2.856 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -3.494 6.799 -3.732 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -3.231 5.701 -2.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -5.211 7.025 -2.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -4.058 7.398 -0.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -4.313 8.463 -2.171 1.00 0.00 H new ATOM 40 N ARG A 3 2.759 5.225 -3.815 1.00 0.00 N ATOM 41 CA ARG A 3 4.025 5.962 -3.806 1.00 0.00 C ATOM 42 C ARG A 3 3.732 7.448 -4.076 1.00 0.00 C ATOM 43 O ARG A 3 3.533 7.835 -5.229 1.00 0.00 O ATOM 44 CB ARG A 3 4.991 5.381 -4.883 1.00 0.00 C ATOM 45 CG ARG A 3 5.224 3.853 -4.798 1.00 0.00 C ATOM 46 CD ARG A 3 5.835 3.403 -3.456 1.00 0.00 C ATOM 47 NE ARG A 3 5.931 1.932 -3.370 1.00 0.00 N ATOM 48 CZ ARG A 3 5.977 1.220 -2.229 1.00 0.00 C ATOM 49 NH1 ARG A 3 5.922 1.819 -1.047 1.00 0.00 N ATOM 50 NH2 ARG A 3 6.051 -0.096 -2.285 1.00 0.00 N ATOM 0 H ARG A 3 2.534 4.815 -4.722 1.00 0.00 H new ATOM 0 HA ARG A 3 4.509 5.862 -2.835 1.00 0.00 H new ATOM 0 HB2 ARG A 3 4.595 5.618 -5.870 1.00 0.00 H new ATOM 0 HB3 ARG A 3 5.953 5.885 -4.796 1.00 0.00 H new ATOM 0 HG2 ARG A 3 4.275 3.339 -4.948 1.00 0.00 H new ATOM 0 HG3 ARG A 3 5.883 3.547 -5.610 1.00 0.00 H new ATOM 0 HD2 ARG A 3 6.827 3.840 -3.342 1.00 0.00 H new ATOM 0 HD3 ARG A 3 5.225 3.777 -2.634 1.00 0.00 H new ATOM 0 HE ARG A 3 5.965 1.413 -4.247 1.00 0.00 H new ATOM 0 HH11 ARG A 3 5.844 2.835 -0.993 1.00 0.00 H new ATOM 0 HH12 ARG A 3 5.958 1.264 -0.192 1.00 0.00 H new ATOM 0 HH21 ARG A 3 6.073 -0.568 -3.189 1.00 0.00 H new ATOM 0 HH22 ARG A 3 6.086 -0.642 -1.424 1.00 0.00 H new ATOM 64 N ALA A 4 3.656 8.260 -3.002 1.00 0.00 N ATOM 65 CA ALA A 4 3.328 9.698 -3.092 1.00 0.00 C ATOM 66 C ALA A 4 4.397 10.471 -3.885 1.00 0.00 C ATOM 67 O ALA A 4 4.064 11.306 -4.725 1.00 0.00 O ATOM 68 CB ALA A 4 3.153 10.294 -1.686 1.00 0.00 C ATOM 0 H ALA A 4 3.820 7.938 -2.048 1.00 0.00 H new ATOM 0 HA ALA A 4 2.386 9.796 -3.632 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.912 11.354 -1.768 1.00 0.00 H new ATOM 0 HB2 ALA A 4 2.345 9.776 -1.169 1.00 0.00 H new ATOM 0 HB3 ALA A 4 4.078 10.175 -1.123 1.00 0.00 H new ATOM 74 N ALA A 5 5.680 10.148 -3.618 1.00 0.00 N ATOM 75 CA ALA A 5 6.837 10.785 -4.286 1.00 0.00 C ATOM 76 C ALA A 5 6.819 10.516 -5.803 1.00 0.00 C ATOM 77 O ALA A 5 7.055 11.427 -6.604 1.00 0.00 O ATOM 78 CB ALA A 5 8.151 10.292 -3.661 1.00 0.00 C ATOM 0 H ALA A 5 5.944 9.439 -2.934 1.00 0.00 H new ATOM 0 HA ALA A 5 6.765 11.863 -4.139 1.00 0.00 H new ATOM 0 HB1 ALA A 5 8.994 10.769 -4.162 1.00 0.00 H new ATOM 0 HB2 ALA A 5 8.168 10.546 -2.601 1.00 0.00 H new ATOM 0 HB3 ALA A 5 8.225 9.211 -3.776 1.00 0.00 H new ATOM 84 N ALA A 6 6.515 9.252 -6.169 1.00 0.00 N ATOM 85 CA ALA A 6 6.401 8.812 -7.574 1.00 0.00 C ATOM 86 C ALA A 6 5.206 9.469 -8.272 1.00 0.00 C ATOM 87 O ALA A 6 5.321 9.904 -9.413 1.00 0.00 O ATOM 88 CB ALA A 6 6.280 7.284 -7.652 1.00 0.00 C ATOM 0 H ALA A 6 6.341 8.506 -5.495 1.00 0.00 H new ATOM 0 HA ALA A 6 7.309 9.124 -8.091 1.00 0.00 H new ATOM 0 HB1 ALA A 6 6.197 6.978 -8.695 1.00 0.00 H new ATOM 0 HB2 ALA A 6 7.164 6.826 -7.209 1.00 0.00 H new ATOM 0 HB3 ALA A 6 5.393 6.961 -7.108 1.00 0.00 H new ATOM 94 N LYS A 7 4.069 9.547 -7.553 1.00 0.00 N ATOM 95 CA LYS A 7 2.804 10.091 -8.084 1.00 0.00 C ATOM 96 C LYS A 7 2.939 11.591 -8.397 1.00 0.00 C ATOM 97 O LYS A 7 2.450 12.063 -9.426 1.00 0.00 O ATOM 98 CB LYS A 7 1.661 9.847 -7.068 1.00 0.00 C ATOM 99 CG LYS A 7 0.263 10.310 -7.551 1.00 0.00 C ATOM 100 CD LYS A 7 -0.876 9.925 -6.576 1.00 0.00 C ATOM 101 CE LYS A 7 -0.987 8.405 -6.353 1.00 0.00 C ATOM 102 NZ LYS A 7 -1.201 7.657 -7.623 1.00 0.00 N ATOM 0 H LYS A 7 4.002 9.233 -6.585 1.00 0.00 H new ATOM 0 HA LYS A 7 2.567 9.576 -9.015 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.618 8.783 -6.837 1.00 0.00 H new ATOM 0 HB3 LYS A 7 1.901 10.365 -6.139 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.271 11.392 -7.682 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.060 9.872 -8.528 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.708 10.416 -5.618 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.823 10.300 -6.965 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.078 8.044 -5.871 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.812 8.200 -5.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.337 6.648 -7.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.045 8.027 -8.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.371 7.774 -8.239 1.00 0.00 H new ATOM 116 N HIS A 8 3.630 12.315 -7.493 1.00 0.00 N ATOM 117 CA HIS A 8 3.919 13.750 -7.659 1.00 0.00 C ATOM 118 C HIS A 8 4.954 13.970 -8.766 1.00 0.00 C ATOM 119 O HIS A 8 4.864 14.953 -9.474 1.00 0.00 O ATOM 120 CB HIS A 8 4.381 14.408 -6.332 1.00 0.00 C ATOM 121 CG HIS A 8 3.288 14.498 -5.294 1.00 0.00 C ATOM 122 ND1 HIS A 8 3.365 13.894 -4.064 1.00 0.00 N ATOM 123 CD2 HIS A 8 2.095 15.136 -5.314 1.00 0.00 C ATOM 124 CE1 HIS A 8 2.279 14.151 -3.377 1.00 0.00 C ATOM 125 NE2 HIS A 8 1.486 14.902 -4.111 1.00 0.00 N ATOM 0 H HIS A 8 4.002 11.920 -6.629 1.00 0.00 H new ATOM 0 HA HIS A 8 2.989 14.236 -7.952 1.00 0.00 H new ATOM 0 HB2 HIS A 8 5.214 13.837 -5.923 1.00 0.00 H new ATOM 0 HB3 HIS A 8 4.755 15.410 -6.543 1.00 0.00 H new ATOM 0 HD1 HIS A 8 4.149 13.330 -3.735 1.00 0.00 H new ATOM 0 HD2 HIS A 8 1.697 15.722 -6.129 1.00 0.00 H new ATOM 0 HE1 HIS A 8 2.070 13.804 -2.376 1.00 0.00 H new ATOM 134 N LEU A 9 5.910 13.028 -8.925 1.00 0.00 N ATOM 135 CA LEU A 9 6.931 13.080 -10.004 1.00 0.00 C ATOM 136 C LEU A 9 6.233 13.010 -11.380 1.00 0.00 C ATOM 137 O LEU A 9 6.521 13.812 -12.280 1.00 0.00 O ATOM 138 CB LEU A 9 7.983 11.919 -9.831 1.00 0.00 C ATOM 139 CG LEU A 9 9.495 12.318 -9.935 1.00 0.00 C ATOM 140 CD1 LEU A 9 9.859 12.852 -11.335 1.00 0.00 C ATOM 141 CD2 LEU A 9 9.866 13.334 -8.835 1.00 0.00 C ATOM 0 H LEU A 9 5.999 12.215 -8.316 1.00 0.00 H new ATOM 0 HA LEU A 9 7.475 14.022 -9.940 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.820 11.454 -8.859 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.779 11.160 -10.586 1.00 0.00 H new ATOM 0 HG LEU A 9 10.083 11.414 -9.780 1.00 0.00 H new ATOM 0 HD11 LEU A 9 10.916 13.116 -11.360 1.00 0.00 H new ATOM 0 HD12 LEU A 9 9.659 12.083 -12.081 1.00 0.00 H new ATOM 0 HD13 LEU A 9 9.259 13.735 -11.555 1.00 0.00 H new ATOM 0 HD21 LEU A 9 10.920 13.598 -8.924 1.00 0.00 H new ATOM 0 HD22 LEU A 9 9.256 14.230 -8.947 1.00 0.00 H new ATOM 0 HD23 LEU A 9 9.685 12.892 -7.855 1.00 0.00 H new ATOM 153 N ILE A 10 5.289 12.059 -11.491 1.00 0.00 N ATOM 154 CA ILE A 10 4.403 11.897 -12.662 1.00 0.00 C ATOM 155 C ILE A 10 3.555 13.165 -12.874 1.00 0.00 C ATOM 156 O ILE A 10 3.311 13.566 -14.008 1.00 0.00 O ATOM 157 CB ILE A 10 3.449 10.647 -12.476 1.00 0.00 C ATOM 158 CG1 ILE A 10 4.278 9.328 -12.355 1.00 0.00 C ATOM 159 CG2 ILE A 10 2.402 10.538 -13.622 1.00 0.00 C ATOM 160 CD1 ILE A 10 3.484 8.099 -11.935 1.00 0.00 C ATOM 0 H ILE A 10 5.116 11.370 -10.759 1.00 0.00 H new ATOM 0 HA ILE A 10 5.031 11.734 -13.538 1.00 0.00 H new ATOM 0 HB ILE A 10 2.899 10.796 -11.547 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.750 9.125 -13.316 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.080 9.487 -11.634 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.769 9.667 -13.455 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.786 11.437 -13.639 1.00 0.00 H new ATOM 0 HG23 ILE A 10 2.917 10.434 -14.577 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.149 7.237 -11.880 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.034 8.273 -10.957 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.699 7.906 -12.666 1.00 0.00 H new ATOM 172 N GLU A 11 3.122 13.782 -11.753 1.00 0.00 N ATOM 173 CA GLU A 11 2.296 15.009 -11.753 1.00 0.00 C ATOM 174 C GLU A 11 3.105 16.236 -12.215 1.00 0.00 C ATOM 175 O GLU A 11 2.529 17.200 -12.705 1.00 0.00 O ATOM 176 CB GLU A 11 1.690 15.234 -10.341 1.00 0.00 C ATOM 177 CG GLU A 11 0.703 16.420 -10.220 1.00 0.00 C ATOM 178 CD GLU A 11 0.143 16.577 -8.801 1.00 0.00 C ATOM 179 OE1 GLU A 11 0.865 17.110 -7.925 1.00 0.00 O ATOM 180 OE2 GLU A 11 -1.000 16.130 -8.542 1.00 0.00 O ATOM 0 H GLU A 11 3.337 13.440 -10.816 1.00 0.00 H new ATOM 0 HA GLU A 11 1.483 14.878 -12.467 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.175 14.323 -10.037 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.506 15.390 -9.635 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.209 17.340 -10.511 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.121 16.275 -10.918 1.00 0.00 H new ATOM 187 N ARG A 12 4.442 16.193 -12.051 1.00 0.00 N ATOM 188 CA ARG A 12 5.343 17.267 -12.530 1.00 0.00 C ATOM 189 C ARG A 12 5.555 17.148 -14.043 1.00 0.00 C ATOM 190 O ARG A 12 5.699 18.164 -14.730 1.00 0.00 O ATOM 191 CB ARG A 12 6.694 17.232 -11.768 1.00 0.00 C ATOM 192 CG ARG A 12 6.523 17.437 -10.252 1.00 0.00 C ATOM 193 CD ARG A 12 7.837 17.427 -9.462 1.00 0.00 C ATOM 194 NE ARG A 12 7.578 17.502 -8.009 1.00 0.00 N ATOM 195 CZ ARG A 12 8.353 16.964 -7.048 1.00 0.00 C ATOM 196 NH1 ARG A 12 9.459 16.301 -7.351 1.00 0.00 N ATOM 197 NH2 ARG A 12 8.016 17.103 -5.782 1.00 0.00 N ATOM 0 H ARG A 12 4.926 15.423 -11.589 1.00 0.00 H new ATOM 0 HA ARG A 12 4.875 18.230 -12.328 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.184 16.275 -11.949 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.351 18.007 -12.164 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.017 18.387 -10.080 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.872 16.654 -9.862 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.396 16.519 -9.690 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.457 18.269 -9.769 1.00 0.00 H new ATOM 0 HE ARG A 12 6.742 18.003 -7.709 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.737 16.191 -8.326 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.033 15.901 -6.609 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.171 17.617 -5.533 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.600 16.697 -5.051 1.00 0.00 H new ATOM 211 N TYR A 13 5.580 15.897 -14.542 1.00 0.00 N ATOM 212 CA TYR A 13 5.551 15.612 -15.987 1.00 0.00 C ATOM 213 C TYR A 13 4.176 15.997 -16.580 1.00 0.00 C ATOM 214 O TYR A 13 4.104 16.606 -17.636 1.00 0.00 O ATOM 215 CB TYR A 13 5.862 14.114 -16.269 1.00 0.00 C ATOM 216 CG TYR A 13 7.334 13.706 -16.085 1.00 0.00 C ATOM 217 CD1 TYR A 13 8.309 14.092 -17.013 1.00 0.00 C ATOM 218 CD2 TYR A 13 7.751 12.921 -15.007 1.00 0.00 C ATOM 219 CE1 TYR A 13 9.629 13.708 -16.869 1.00 0.00 C ATOM 220 CE2 TYR A 13 9.069 12.536 -14.865 1.00 0.00 C ATOM 221 CZ TYR A 13 10.003 12.933 -15.794 1.00 0.00 C ATOM 222 OH TYR A 13 11.313 12.540 -15.654 1.00 0.00 O ATOM 0 H TYR A 13 5.621 15.062 -13.958 1.00 0.00 H new ATOM 0 HA TYR A 13 6.324 16.212 -16.467 1.00 0.00 H new ATOM 0 HB2 TYR A 13 5.246 13.501 -15.610 1.00 0.00 H new ATOM 0 HB3 TYR A 13 5.562 13.883 -17.291 1.00 0.00 H new ATOM 0 HD1 TYR A 13 8.024 14.702 -17.858 1.00 0.00 H new ATOM 0 HD2 TYR A 13 7.027 12.609 -14.269 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.365 14.015 -17.597 1.00 0.00 H new ATOM 0 HE2 TYR A 13 9.366 11.924 -14.026 1.00 0.00 H new ATOM 0 HH TYR A 13 11.407 11.999 -14.842 1.00 0.00 H new ATOM 232 N TYR A 14 3.103 15.676 -15.845 1.00 0.00 N ATOM 233 CA TYR A 14 1.711 15.959 -16.252 1.00 0.00 C ATOM 234 C TYR A 14 1.478 17.477 -16.316 1.00 0.00 C ATOM 235 O TYR A 14 0.855 17.973 -17.259 1.00 0.00 O ATOM 236 CB TYR A 14 0.724 15.272 -15.263 1.00 0.00 C ATOM 237 CG TYR A 14 -0.749 15.648 -15.464 1.00 0.00 C ATOM 238 CD1 TYR A 14 -1.466 15.208 -16.581 1.00 0.00 C ATOM 239 CD2 TYR A 14 -1.420 16.468 -14.548 1.00 0.00 C ATOM 240 CE1 TYR A 14 -2.785 15.564 -16.767 1.00 0.00 C ATOM 241 CE2 TYR A 14 -2.735 16.825 -14.739 1.00 0.00 C ATOM 242 CZ TYR A 14 -3.410 16.375 -15.849 1.00 0.00 C ATOM 243 OH TYR A 14 -4.721 16.737 -16.044 1.00 0.00 O ATOM 0 H TYR A 14 3.172 15.208 -14.941 1.00 0.00 H new ATOM 0 HA TYR A 14 1.532 15.553 -17.247 1.00 0.00 H new ATOM 0 HB2 TYR A 14 0.826 14.191 -15.361 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.015 15.528 -14.244 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.978 14.579 -17.311 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.895 16.827 -13.675 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.326 15.207 -17.631 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.235 17.456 -14.020 1.00 0.00 H new ATOM 0 HH TYR A 14 -5.015 17.311 -15.306 1.00 0.00 H new ATOM 253 N HIS A 15 2.017 18.194 -15.310 1.00 0.00 N ATOM 254 CA HIS A 15 1.979 19.665 -15.237 1.00 0.00 C ATOM 255 C HIS A 15 2.804 20.255 -16.376 1.00 0.00 C ATOM 256 O HIS A 15 2.442 21.287 -16.931 1.00 0.00 O ATOM 257 CB HIS A 15 2.527 20.174 -13.874 1.00 0.00 C ATOM 258 CG HIS A 15 2.507 21.679 -13.720 1.00 0.00 C ATOM 259 ND1 HIS A 15 3.569 22.494 -14.059 1.00 0.00 N ATOM 260 CD2 HIS A 15 1.544 22.509 -13.263 1.00 0.00 C ATOM 261 CE1 HIS A 15 3.253 23.750 -13.821 1.00 0.00 C ATOM 262 NE2 HIS A 15 2.033 23.786 -13.332 1.00 0.00 N ATOM 0 H HIS A 15 2.495 17.763 -14.519 1.00 0.00 H new ATOM 0 HA HIS A 15 0.941 19.986 -15.328 1.00 0.00 H new ATOM 0 HB2 HIS A 15 1.939 19.730 -13.070 1.00 0.00 H new ATOM 0 HB3 HIS A 15 3.551 19.821 -13.752 1.00 0.00 H new ATOM 0 HD2 HIS A 15 0.566 22.218 -12.908 1.00 0.00 H new ATOM 0 HE1 HIS A 15 3.888 24.605 -13.998 1.00 0.00 H new ATOM 0 HE2 HIS A 15 1.532 24.629 -13.050 1.00 0.00 H new ATOM 271 N GLN A 16 3.925 19.577 -16.696 1.00 0.00 N ATOM 272 CA GLN A 16 4.828 19.967 -17.790 1.00 0.00 C ATOM 273 C GLN A 16 4.101 19.945 -19.148 1.00 0.00 C ATOM 274 O GLN A 16 4.320 20.830 -19.967 1.00 0.00 O ATOM 275 CB GLN A 16 6.084 19.049 -17.797 1.00 0.00 C ATOM 276 CG GLN A 16 7.079 19.300 -18.941 1.00 0.00 C ATOM 277 CD GLN A 16 8.326 18.411 -18.872 1.00 0.00 C ATOM 278 OE1 GLN A 16 9.322 18.786 -18.270 1.00 0.00 O ATOM 279 NE2 GLN A 16 8.268 17.233 -19.480 1.00 0.00 N ATOM 0 H GLN A 16 4.228 18.740 -16.198 1.00 0.00 H new ATOM 0 HA GLN A 16 5.156 20.993 -17.622 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.608 19.172 -16.849 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.754 18.011 -17.846 1.00 0.00 H new ATOM 0 HG2 GLN A 16 6.576 19.133 -19.893 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.386 20.346 -18.922 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.419 16.955 -19.973 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.072 16.606 -19.455 1.00 0.00 H new ATOM 288 N LEU A 17 3.217 18.950 -19.366 1.00 0.00 N ATOM 289 CA LEU A 17 2.431 18.851 -20.619 1.00 0.00 C ATOM 290 C LEU A 17 1.199 19.797 -20.618 1.00 0.00 C ATOM 291 O LEU A 17 0.910 20.415 -21.641 1.00 0.00 O ATOM 292 CB LEU A 17 1.982 17.378 -20.907 1.00 0.00 C ATOM 293 CG LEU A 17 3.044 16.408 -21.553 1.00 0.00 C ATOM 294 CD1 LEU A 17 3.777 17.079 -22.732 1.00 0.00 C ATOM 295 CD2 LEU A 17 4.040 15.836 -20.526 1.00 0.00 C ATOM 0 H LEU A 17 3.028 18.205 -18.695 1.00 0.00 H new ATOM 0 HA LEU A 17 3.096 19.171 -21.421 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.651 16.937 -19.967 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.114 17.413 -21.565 1.00 0.00 H new ATOM 0 HG LEU A 17 2.483 15.558 -21.943 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.502 16.382 -23.154 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.054 17.359 -23.498 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.294 17.971 -22.379 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.745 15.176 -21.031 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.584 16.653 -20.052 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.497 15.273 -19.767 1.00 0.00 H new ATOM 307 N THR A 18 0.479 19.903 -19.486 1.00 0.00 N ATOM 308 CA THR A 18 -0.789 20.671 -19.425 1.00 0.00 C ATOM 309 C THR A 18 -0.535 22.190 -19.336 1.00 0.00 C ATOM 310 O THR A 18 -0.976 22.960 -20.198 1.00 0.00 O ATOM 311 CB THR A 18 -1.689 20.206 -18.220 1.00 0.00 C ATOM 312 OG1 THR A 18 -0.926 20.226 -16.996 1.00 0.00 O ATOM 313 CG2 THR A 18 -2.270 18.797 -18.455 1.00 0.00 C ATOM 0 H THR A 18 0.748 19.470 -18.602 1.00 0.00 H new ATOM 0 HA THR A 18 -1.321 20.467 -20.354 1.00 0.00 H new ATOM 0 HB THR A 18 -2.523 20.903 -18.140 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.332 19.447 -16.968 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.885 18.510 -17.602 1.00 0.00 H new ATOM 0 HG22 THR A 18 -2.880 18.801 -19.358 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.455 18.082 -18.571 1.00 0.00 H new ATOM 321 N GLU A 19 0.171 22.612 -18.280 1.00 0.00 N ATOM 322 CA GLU A 19 0.395 24.045 -17.974 1.00 0.00 C ATOM 323 C GLU A 19 1.799 24.506 -18.392 1.00 0.00 C ATOM 324 O GLU A 19 2.026 25.707 -18.590 1.00 0.00 O ATOM 325 CB GLU A 19 0.179 24.279 -16.460 1.00 0.00 C ATOM 326 CG GLU A 19 -1.247 23.925 -15.978 1.00 0.00 C ATOM 327 CD GLU A 19 -1.455 24.131 -14.471 1.00 0.00 C ATOM 328 OE1 GLU A 19 -1.357 25.286 -14.010 1.00 0.00 O ATOM 329 OE2 GLU A 19 -1.734 23.152 -13.743 1.00 0.00 O ATOM 0 H GLU A 19 0.606 21.977 -17.610 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.320 24.636 -18.547 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.901 23.683 -15.902 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.383 25.325 -16.229 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.968 24.535 -16.523 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.458 22.885 -16.227 1.00 0.00 H new ATOM 336 N GLY A 20 2.730 23.556 -18.518 1.00 0.00 N ATOM 337 CA GLY A 20 4.130 23.851 -18.800 1.00 0.00 C ATOM 338 C GLY A 20 4.981 23.918 -17.548 1.00 0.00 C ATOM 339 O GLY A 20 4.777 23.152 -16.600 1.00 0.00 O ATOM 0 H GLY A 20 2.530 22.560 -18.426 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.531 23.086 -19.465 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.197 24.801 -19.330 1.00 0.00 H new ATOM 343 N CYS A 21 5.959 24.822 -17.569 1.00 0.00 N ATOM 344 CA CYS A 21 6.856 25.078 -16.422 1.00 0.00 C ATOM 345 C CYS A 21 6.985 26.587 -16.124 1.00 0.00 C ATOM 346 O CYS A 21 7.831 26.988 -15.309 1.00 0.00 O ATOM 347 CB CYS A 21 8.232 24.462 -16.710 1.00 0.00 C ATOM 348 SG CYS A 21 8.962 25.031 -18.269 1.00 0.00 S ATOM 0 H CYS A 21 6.160 25.405 -18.382 1.00 0.00 H new ATOM 0 HA CYS A 21 6.426 24.614 -15.535 1.00 0.00 H new ATOM 0 HB2 CYS A 21 8.909 24.704 -15.891 1.00 0.00 H new ATOM 0 HB3 CYS A 21 8.138 23.376 -16.736 1.00 0.00 H new ATOM 353 N GLY A 22 6.146 27.414 -16.785 1.00 0.00 N ATOM 354 CA GLY A 22 6.046 28.847 -16.481 1.00 0.00 C ATOM 355 C GLY A 22 6.990 29.735 -17.288 1.00 0.00 C ATOM 356 O GLY A 22 6.591 30.822 -17.724 1.00 0.00 O ATOM 0 H GLY A 22 5.528 27.106 -17.535 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.021 29.172 -16.659 1.00 0.00 H new ATOM 0 HA3 GLY A 22 6.247 28.995 -15.420 1.00 0.00 H new ATOM 360 N ASN A 23 8.248 29.289 -17.458 1.00 0.00 N ATOM 361 CA ASN A 23 9.307 30.100 -18.104 1.00 0.00 C ATOM 362 C ASN A 23 9.083 30.228 -19.630 1.00 0.00 C ATOM 363 O ASN A 23 8.668 29.264 -20.296 1.00 0.00 O ATOM 364 CB ASN A 23 10.736 29.545 -17.793 1.00 0.00 C ATOM 365 CG ASN A 23 11.045 28.166 -18.398 1.00 0.00 C ATOM 366 OD1 ASN A 23 10.155 27.365 -18.616 1.00 0.00 O ATOM 367 ND2 ASN A 23 12.313 27.877 -18.651 1.00 0.00 N ATOM 0 H ASN A 23 8.561 28.366 -17.156 1.00 0.00 H new ATOM 0 HA ASN A 23 9.241 31.100 -17.675 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.474 30.259 -18.159 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.859 29.486 -16.712 1.00 0.00 H new ATOM 0 HD21 ASN A 23 12.561 26.966 -19.037 1.00 0.00 H new ATOM 0 HD22 ASN A 23 13.041 28.565 -18.460 1.00 0.00 H new ATOM 374 N GLU A 24 9.322 31.445 -20.159 1.00 0.00 N ATOM 375 CA GLU A 24 9.234 31.729 -21.601 1.00 0.00 C ATOM 376 C GLU A 24 10.382 31.025 -22.352 1.00 0.00 C ATOM 377 O GLU A 24 10.171 30.406 -23.410 1.00 0.00 O ATOM 378 CB GLU A 24 9.274 33.264 -21.850 1.00 0.00 C ATOM 379 CG GLU A 24 9.137 33.669 -23.339 1.00 0.00 C ATOM 380 CD GLU A 24 9.201 35.194 -23.561 1.00 0.00 C ATOM 381 OE1 GLU A 24 8.176 35.875 -23.364 1.00 0.00 O ATOM 382 OE2 GLU A 24 10.274 35.719 -23.927 1.00 0.00 O ATOM 0 H GLU A 24 9.581 32.256 -19.597 1.00 0.00 H new ATOM 0 HA GLU A 24 8.287 31.344 -21.980 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.471 33.734 -21.282 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.213 33.659 -21.462 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.930 33.191 -23.914 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.191 33.291 -23.726 1.00 0.00 H new ATOM 389 N ALA A 25 11.592 31.107 -21.777 1.00 0.00 N ATOM 390 CA ALA A 25 12.803 30.523 -22.368 1.00 0.00 C ATOM 391 C ALA A 25 12.934 29.036 -21.973 1.00 0.00 C ATOM 392 O ALA A 25 13.690 28.670 -21.069 1.00 0.00 O ATOM 393 CB ALA A 25 14.040 31.341 -21.960 1.00 0.00 C ATOM 0 H ALA A 25 11.757 31.581 -20.889 1.00 0.00 H new ATOM 0 HA ALA A 25 12.727 30.562 -23.455 1.00 0.00 H new ATOM 0 HB1 ALA A 25 14.932 30.898 -22.404 1.00 0.00 H new ATOM 0 HB2 ALA A 25 13.930 32.367 -22.312 1.00 0.00 H new ATOM 0 HB3 ALA A 25 14.136 31.338 -20.874 1.00 0.00 H new ATOM 399 N CYS A 26 12.113 28.200 -22.628 1.00 0.00 N ATOM 400 CA CYS A 26 12.186 26.732 -22.526 1.00 0.00 C ATOM 401 C CYS A 26 12.082 26.142 -23.939 1.00 0.00 C ATOM 402 O CYS A 26 11.116 26.422 -24.657 1.00 0.00 O ATOM 403 CB CYS A 26 11.056 26.165 -21.619 1.00 0.00 C ATOM 404 SG CYS A 26 11.111 24.345 -21.413 1.00 0.00 S ATOM 0 H CYS A 26 11.373 28.526 -23.249 1.00 0.00 H new ATOM 0 HA CYS A 26 13.135 26.453 -22.068 1.00 0.00 H new ATOM 0 HB2 CYS A 26 11.122 26.634 -20.637 1.00 0.00 H new ATOM 0 HB3 CYS A 26 10.091 26.444 -22.041 1.00 0.00 H new ATOM 409 N THR A 27 13.102 25.358 -24.343 1.00 0.00 N ATOM 410 CA THR A 27 13.132 24.666 -25.645 1.00 0.00 C ATOM 411 C THR A 27 13.141 23.142 -25.401 1.00 0.00 C ATOM 412 O THR A 27 14.138 22.430 -25.595 1.00 0.00 O ATOM 413 CB THR A 27 14.328 25.150 -26.552 1.00 0.00 C ATOM 414 OG1 THR A 27 14.347 24.412 -27.787 1.00 0.00 O ATOM 415 CG2 THR A 27 15.707 25.052 -25.853 1.00 0.00 C ATOM 0 H THR A 27 13.930 25.187 -23.773 1.00 0.00 H new ATOM 0 HA THR A 27 12.234 24.921 -26.207 1.00 0.00 H new ATOM 0 HB THR A 27 14.154 26.207 -26.753 1.00 0.00 H new ATOM 0 HG1 THR A 27 15.093 24.722 -28.342 1.00 0.00 H new ATOM 0 HG21 THR A 27 16.485 25.400 -26.532 1.00 0.00 H new ATOM 0 HG22 THR A 27 15.705 25.671 -24.956 1.00 0.00 H new ATOM 0 HG23 THR A 27 15.903 24.016 -25.578 1.00 0.00 H new ATOM 423 N ASN A 28 11.993 22.656 -24.921 1.00 0.00 N ATOM 424 CA ASN A 28 11.779 21.239 -24.604 1.00 0.00 C ATOM 425 C ASN A 28 10.497 20.798 -25.325 1.00 0.00 C ATOM 426 O ASN A 28 9.406 21.286 -25.004 1.00 0.00 O ATOM 427 CB ASN A 28 11.664 21.060 -23.059 1.00 0.00 C ATOM 428 CG ASN A 28 11.604 19.601 -22.562 1.00 0.00 C ATOM 429 OD1 ASN A 28 11.163 18.691 -23.254 1.00 0.00 O ATOM 430 ND2 ASN A 28 12.011 19.385 -21.324 1.00 0.00 N ATOM 0 H ASN A 28 11.177 23.240 -24.739 1.00 0.00 H new ATOM 0 HA ASN A 28 12.614 20.622 -24.938 1.00 0.00 H new ATOM 0 HB2 ASN A 28 12.517 21.551 -22.590 1.00 0.00 H new ATOM 0 HB3 ASN A 28 10.769 21.579 -22.716 1.00 0.00 H new ATOM 0 HD21 ASN A 28 11.961 18.447 -20.927 1.00 0.00 H new ATOM 0 HD22 ASN A 28 12.375 20.157 -20.765 1.00 0.00 H new ATOM 437 N GLU A 29 10.648 19.896 -26.307 1.00 0.00 N ATOM 438 CA GLU A 29 9.529 19.403 -27.136 1.00 0.00 C ATOM 439 C GLU A 29 8.496 18.618 -26.301 1.00 0.00 C ATOM 440 O GLU A 29 7.309 18.589 -26.635 1.00 0.00 O ATOM 441 CB GLU A 29 10.074 18.535 -28.290 1.00 0.00 C ATOM 442 CG GLU A 29 10.934 17.338 -27.847 1.00 0.00 C ATOM 443 CD GLU A 29 11.478 16.523 -29.022 1.00 0.00 C ATOM 444 OE1 GLU A 29 12.384 17.016 -29.726 1.00 0.00 O ATOM 445 OE2 GLU A 29 10.984 15.400 -29.269 1.00 0.00 O ATOM 0 H GLU A 29 11.549 19.485 -26.552 1.00 0.00 H new ATOM 0 HA GLU A 29 9.012 20.268 -27.552 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.233 18.163 -28.875 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.668 19.166 -28.951 1.00 0.00 H new ATOM 0 HG2 GLU A 29 11.768 17.700 -27.246 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.339 16.688 -27.206 1.00 0.00 H new ATOM 452 N PHE A 30 8.964 18.030 -25.190 1.00 0.00 N ATOM 453 CA PHE A 30 8.130 17.250 -24.254 1.00 0.00 C ATOM 454 C PHE A 30 7.484 18.161 -23.187 1.00 0.00 C ATOM 455 O PHE A 30 7.080 17.682 -22.113 1.00 0.00 O ATOM 456 CB PHE A 30 9.005 16.159 -23.584 1.00 0.00 C ATOM 457 CG PHE A 30 9.698 15.215 -24.573 1.00 0.00 C ATOM 458 CD1 PHE A 30 8.956 14.335 -25.360 1.00 0.00 C ATOM 459 CD2 PHE A 30 11.088 15.213 -24.716 1.00 0.00 C ATOM 460 CE1 PHE A 30 9.577 13.483 -26.253 1.00 0.00 C ATOM 461 CE2 PHE A 30 11.706 14.360 -25.607 1.00 0.00 C ATOM 462 CZ PHE A 30 10.949 13.495 -26.378 1.00 0.00 C ATOM 0 H PHE A 30 9.943 18.081 -24.910 1.00 0.00 H new ATOM 0 HA PHE A 30 7.321 16.778 -24.811 1.00 0.00 H new ATOM 0 HB2 PHE A 30 9.763 16.644 -22.970 1.00 0.00 H new ATOM 0 HB3 PHE A 30 8.380 15.569 -22.913 1.00 0.00 H new ATOM 0 HD1 PHE A 30 7.880 14.319 -25.270 1.00 0.00 H new ATOM 0 HD2 PHE A 30 11.686 15.888 -24.122 1.00 0.00 H new ATOM 0 HE1 PHE A 30 8.986 12.807 -26.854 1.00 0.00 H new ATOM 0 HE2 PHE A 30 12.782 14.367 -25.703 1.00 0.00 H new ATOM 0 HZ PHE A 30 11.434 12.830 -27.077 1.00 0.00 H new ATOM 472 N CYS A 31 7.338 19.463 -23.505 1.00 0.00 N ATOM 473 CA CYS A 31 6.938 20.482 -22.529 1.00 0.00 C ATOM 474 C CYS A 31 6.093 21.584 -23.171 1.00 0.00 C ATOM 475 O CYS A 31 6.410 22.060 -24.260 1.00 0.00 O ATOM 476 CB CYS A 31 8.199 21.116 -21.926 1.00 0.00 C ATOM 477 SG CYS A 31 7.878 22.372 -20.669 1.00 0.00 S ATOM 0 H CYS A 31 7.495 19.831 -24.443 1.00 0.00 H new ATOM 0 HA CYS A 31 6.337 19.995 -21.761 1.00 0.00 H new ATOM 0 HB2 CYS A 31 8.812 20.329 -21.487 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.784 21.565 -22.729 1.00 0.00 H new ATOM 482 N ALA A 32 5.042 21.992 -22.446 1.00 0.00 N ATOM 483 CA ALA A 32 4.244 23.189 -22.728 1.00 0.00 C ATOM 484 C ALA A 32 5.004 24.429 -22.234 1.00 0.00 C ATOM 485 O ALA A 32 5.999 24.294 -21.503 1.00 0.00 O ATOM 486 CB ALA A 32 2.854 23.053 -22.076 1.00 0.00 C ATOM 0 H ALA A 32 4.716 21.483 -21.625 1.00 0.00 H new ATOM 0 HA ALA A 32 4.087 23.301 -23.801 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.264 23.945 -22.288 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.346 22.177 -22.481 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.967 22.941 -20.998 1.00 0.00 H new ATOM 492 N SER A 33 4.558 25.620 -22.686 1.00 0.00 N ATOM 493 CA SER A 33 5.280 26.910 -22.529 1.00 0.00 C ATOM 494 C SER A 33 6.524 26.969 -23.458 1.00 0.00 C ATOM 495 O SER A 33 7.284 27.944 -23.433 1.00 0.00 O ATOM 496 CB SER A 33 5.680 27.203 -21.043 1.00 0.00 C ATOM 497 OG SER A 33 4.592 26.994 -20.153 1.00 0.00 O ATOM 0 H SER A 33 3.671 25.719 -23.180 1.00 0.00 H new ATOM 0 HA SER A 33 4.584 27.694 -22.828 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.512 26.560 -20.757 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.028 28.232 -20.956 1.00 0.00 H new ATOM 0 HG SER A 33 4.680 27.594 -19.383 1.00 0.00 H new ATOM 503 N CYS A 34 6.707 25.917 -24.291 1.00 0.00 N ATOM 504 CA CYS A 34 7.762 25.827 -25.303 1.00 0.00 C ATOM 505 C CYS A 34 7.123 25.945 -26.702 1.00 0.00 C ATOM 506 O CYS A 34 6.021 25.423 -26.894 1.00 0.00 O ATOM 507 CB CYS A 34 8.481 24.467 -25.148 1.00 0.00 C ATOM 508 SG CYS A 34 8.964 24.107 -23.445 1.00 0.00 S ATOM 0 H CYS A 34 6.106 25.093 -24.270 1.00 0.00 H new ATOM 0 HA CYS A 34 8.488 26.631 -25.178 1.00 0.00 H new ATOM 0 HB2 CYS A 34 7.826 23.674 -25.508 1.00 0.00 H new ATOM 0 HB3 CYS A 34 9.369 24.459 -25.780 1.00 0.00 H new ATOM 0 HG CYS A 34 10.236 24.332 -23.298 1.00 0.00 H new ATOM 514 N PRO A 35 7.798 26.613 -27.702 1.00 0.00 N ATOM 515 CA PRO A 35 7.260 26.779 -29.087 1.00 0.00 C ATOM 516 C PRO A 35 6.935 25.435 -29.773 1.00 0.00 C ATOM 517 O PRO A 35 5.984 25.321 -30.538 1.00 0.00 O ATOM 518 CB PRO A 35 8.414 27.510 -29.839 1.00 0.00 C ATOM 519 CG PRO A 35 9.202 28.183 -28.757 1.00 0.00 C ATOM 520 CD PRO A 35 9.134 27.250 -27.567 1.00 0.00 C ATOM 0 HA PRO A 35 6.316 27.324 -29.087 1.00 0.00 H new ATOM 0 HB2 PRO A 35 9.030 26.807 -30.399 1.00 0.00 H new ATOM 0 HB3 PRO A 35 8.025 28.234 -30.555 1.00 0.00 H new ATOM 0 HG2 PRO A 35 10.234 28.348 -29.068 1.00 0.00 H new ATOM 0 HG3 PRO A 35 8.782 29.159 -28.515 1.00 0.00 H new ATOM 0 HD2 PRO A 35 9.935 26.511 -27.590 1.00 0.00 H new ATOM 0 HD3 PRO A 35 9.227 27.792 -26.626 1.00 0.00 H new ATOM 528 N THR A 36 7.727 24.417 -29.425 1.00 0.00 N ATOM 529 CA THR A 36 7.726 23.100 -30.074 1.00 0.00 C ATOM 530 C THR A 36 6.603 22.160 -29.561 1.00 0.00 C ATOM 531 O THR A 36 6.495 21.018 -30.030 1.00 0.00 O ATOM 532 CB THR A 36 9.130 22.457 -29.854 1.00 0.00 C ATOM 533 OG1 THR A 36 9.440 22.430 -28.447 1.00 0.00 O ATOM 534 CG2 THR A 36 10.231 23.243 -30.594 1.00 0.00 C ATOM 0 H THR A 36 8.404 24.486 -28.665 1.00 0.00 H new ATOM 0 HA THR A 36 7.520 23.241 -31.135 1.00 0.00 H new ATOM 0 HB THR A 36 9.097 21.443 -30.253 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.322 22.024 -28.314 1.00 0.00 H new ATOM 0 HG21 THR A 36 11.197 22.768 -30.420 1.00 0.00 H new ATOM 0 HG22 THR A 36 10.018 23.250 -31.663 1.00 0.00 H new ATOM 0 HG23 THR A 36 10.258 24.268 -30.223 1.00 0.00 H new ATOM 542 N PHE A 37 5.763 22.650 -28.620 1.00 0.00 N ATOM 543 CA PHE A 37 4.660 21.863 -28.028 1.00 0.00 C ATOM 544 C PHE A 37 3.392 21.906 -28.911 1.00 0.00 C ATOM 545 O PHE A 37 2.984 22.982 -29.366 1.00 0.00 O ATOM 546 CB PHE A 37 4.316 22.394 -26.609 1.00 0.00 C ATOM 547 CG PHE A 37 3.160 21.656 -25.922 1.00 0.00 C ATOM 548 CD1 PHE A 37 3.303 20.329 -25.523 1.00 0.00 C ATOM 549 CD2 PHE A 37 1.936 22.287 -25.685 1.00 0.00 C ATOM 550 CE1 PHE A 37 2.262 19.656 -24.911 1.00 0.00 C ATOM 551 CE2 PHE A 37 0.901 21.613 -25.074 1.00 0.00 C ATOM 552 CZ PHE A 37 1.063 20.298 -24.687 1.00 0.00 C ATOM 0 H PHE A 37 5.832 23.599 -28.252 1.00 0.00 H new ATOM 0 HA PHE A 37 4.999 20.829 -27.961 1.00 0.00 H new ATOM 0 HB2 PHE A 37 5.204 22.319 -25.981 1.00 0.00 H new ATOM 0 HB3 PHE A 37 4.064 23.452 -26.681 1.00 0.00 H new ATOM 0 HD1 PHE A 37 4.240 19.819 -25.694 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.799 23.316 -25.984 1.00 0.00 H new ATOM 0 HE1 PHE A 37 2.388 18.627 -24.608 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.039 22.115 -24.898 1.00 0.00 H new ATOM 0 HZ PHE A 37 0.250 19.772 -24.209 1.00 0.00 H new ATOM 562 N LEU A 38 2.785 20.724 -29.127 1.00 0.00 N ATOM 563 CA LEU A 38 1.456 20.571 -29.758 1.00 0.00 C ATOM 564 C LEU A 38 0.440 20.266 -28.641 1.00 0.00 C ATOM 565 O LEU A 38 0.658 19.346 -27.841 1.00 0.00 O ATOM 566 CB LEU A 38 1.516 19.440 -30.841 1.00 0.00 C ATOM 567 CG LEU A 38 0.246 19.208 -31.759 1.00 0.00 C ATOM 568 CD1 LEU A 38 0.637 18.503 -33.084 1.00 0.00 C ATOM 569 CD2 LEU A 38 -0.879 18.400 -31.053 1.00 0.00 C ATOM 0 H LEU A 38 3.209 19.834 -28.865 1.00 0.00 H new ATOM 0 HA LEU A 38 1.147 21.481 -30.272 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.363 19.650 -31.494 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.732 18.502 -30.330 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.150 20.201 -31.974 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.254 18.356 -33.695 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.352 19.121 -33.628 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.088 17.536 -32.862 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.720 18.276 -31.735 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.497 17.420 -30.765 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.209 18.937 -30.164 1.00 0.00 H new ATOM 581 N ARG A 39 -0.649 21.054 -28.602 1.00 0.00 N ATOM 582 CA ARG A 39 -1.714 20.951 -27.583 1.00 0.00 C ATOM 583 C ARG A 39 -2.368 19.548 -27.572 1.00 0.00 C ATOM 584 O ARG A 39 -3.090 19.179 -28.512 1.00 0.00 O ATOM 585 CB ARG A 39 -2.794 22.046 -27.824 1.00 0.00 C ATOM 586 CG ARG A 39 -2.312 23.496 -27.576 1.00 0.00 C ATOM 587 CD ARG A 39 -2.082 23.784 -26.083 1.00 0.00 C ATOM 588 NE ARG A 39 -1.547 25.142 -25.850 1.00 0.00 N ATOM 589 CZ ARG A 39 -2.199 26.154 -25.250 1.00 0.00 C ATOM 590 NH1 ARG A 39 -3.464 26.024 -24.882 1.00 0.00 N ATOM 591 NH2 ARG A 39 -1.574 27.302 -25.032 1.00 0.00 N ATOM 0 H ARG A 39 -0.818 21.791 -29.286 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.253 21.106 -26.607 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.149 21.967 -28.851 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.647 21.845 -27.175 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.386 23.668 -28.124 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.050 24.195 -27.970 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -3.022 23.669 -25.544 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.389 23.048 -25.676 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.598 25.329 -26.173 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.957 25.148 -25.052 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.945 26.800 -24.428 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.602 27.416 -25.319 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.065 28.072 -24.577 1.00 0.00 H new ATOM 605 N MET A 40 -2.073 18.777 -26.512 1.00 0.00 N ATOM 606 CA MET A 40 -2.648 17.435 -26.279 1.00 0.00 C ATOM 607 C MET A 40 -3.766 17.506 -25.221 1.00 0.00 C ATOM 608 O MET A 40 -3.946 18.535 -24.547 1.00 0.00 O ATOM 609 CB MET A 40 -1.530 16.442 -25.835 1.00 0.00 C ATOM 610 CG MET A 40 -0.798 16.812 -24.528 1.00 0.00 C ATOM 611 SD MET A 40 0.455 15.596 -24.045 1.00 0.00 S ATOM 612 CE MET A 40 1.603 15.656 -25.421 1.00 0.00 C ATOM 0 H MET A 40 -1.422 19.068 -25.783 1.00 0.00 H new ATOM 0 HA MET A 40 -3.083 17.072 -27.210 1.00 0.00 H new ATOM 0 HB2 MET A 40 -1.972 15.453 -25.716 1.00 0.00 H new ATOM 0 HB3 MET A 40 -0.794 16.368 -26.636 1.00 0.00 H new ATOM 0 HG2 MET A 40 -0.323 17.786 -24.648 1.00 0.00 H new ATOM 0 HG3 MET A 40 -1.529 16.910 -23.725 1.00 0.00 H new ATOM 0 HE1 MET A 40 2.530 15.154 -25.144 1.00 0.00 H new ATOM 0 HE2 MET A 40 1.163 15.155 -26.284 1.00 0.00 H new ATOM 0 HE3 MET A 40 1.815 16.695 -25.673 1.00 0.00 H new ATOM 622 N ASP A 41 -4.517 16.400 -25.094 1.00 0.00 N ATOM 623 CA ASP A 41 -5.553 16.241 -24.050 1.00 0.00 C ATOM 624 C ASP A 41 -4.894 15.956 -22.698 1.00 0.00 C ATOM 625 O ASP A 41 -3.714 15.609 -22.651 1.00 0.00 O ATOM 626 CB ASP A 41 -6.520 15.081 -24.413 1.00 0.00 C ATOM 627 CG ASP A 41 -7.312 15.358 -25.705 1.00 0.00 C ATOM 628 OD1 ASP A 41 -6.772 15.123 -26.803 1.00 0.00 O ATOM 629 OD2 ASP A 41 -8.476 15.812 -25.626 1.00 0.00 O ATOM 0 H ASP A 41 -4.427 15.591 -25.708 1.00 0.00 H new ATOM 0 HA ASP A 41 -6.123 17.168 -23.987 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -5.950 14.160 -24.530 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -7.217 14.922 -23.590 1.00 0.00 H new ATOM 634 N ASN A 42 -5.671 16.091 -21.601 1.00 0.00 N ATOM 635 CA ASN A 42 -5.185 15.792 -20.228 1.00 0.00 C ATOM 636 C ASN A 42 -5.008 14.280 -20.007 1.00 0.00 C ATOM 637 O ASN A 42 -4.192 13.864 -19.174 1.00 0.00 O ATOM 638 CB ASN A 42 -6.119 16.403 -19.143 1.00 0.00 C ATOM 639 CG ASN A 42 -6.083 17.940 -19.099 1.00 0.00 C ATOM 640 OD1 ASN A 42 -5.913 18.607 -20.121 1.00 0.00 O ATOM 641 ND2 ASN A 42 -6.216 18.513 -17.909 1.00 0.00 N ATOM 0 H ASN A 42 -6.641 16.406 -21.636 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.206 16.261 -20.128 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -7.142 16.076 -19.330 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -5.833 16.012 -18.166 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -6.178 19.529 -17.825 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.356 17.937 -17.079 1.00 0.00 H new ATOM 648 N ASN A 43 -5.771 13.468 -20.766 1.00 0.00 N ATOM 649 CA ASN A 43 -5.609 11.997 -20.775 1.00 0.00 C ATOM 650 C ASN A 43 -4.269 11.637 -21.449 1.00 0.00 C ATOM 651 O ASN A 43 -3.510 10.807 -20.938 1.00 0.00 O ATOM 652 CB ASN A 43 -6.791 11.298 -21.520 1.00 0.00 C ATOM 653 CG ASN A 43 -8.189 11.643 -20.968 1.00 0.00 C ATOM 654 OD1 ASN A 43 -8.452 12.777 -20.574 1.00 0.00 O ATOM 655 ND2 ASN A 43 -9.092 10.669 -20.915 1.00 0.00 N ATOM 0 H ASN A 43 -6.509 13.806 -21.384 1.00 0.00 H new ATOM 0 HA ASN A 43 -5.612 11.642 -19.745 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -6.753 11.573 -22.574 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -6.650 10.219 -21.467 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -10.023 10.856 -20.542 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.854 9.734 -21.247 1.00 0.00 H new ATOM 662 N ALA A 44 -3.993 12.314 -22.586 1.00 0.00 N ATOM 663 CA ALA A 44 -2.750 12.146 -23.368 1.00 0.00 C ATOM 664 C ALA A 44 -1.531 12.697 -22.609 1.00 0.00 C ATOM 665 O ALA A 44 -0.425 12.168 -22.733 1.00 0.00 O ATOM 666 CB ALA A 44 -2.894 12.834 -24.735 1.00 0.00 C ATOM 0 H ALA A 44 -4.633 12.998 -22.989 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.585 11.080 -23.522 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.974 12.706 -25.305 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.725 12.388 -25.281 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.085 13.897 -24.589 1.00 0.00 H new ATOM 672 N ALA A 45 -1.772 13.756 -21.814 1.00 0.00 N ATOM 673 CA ALA A 45 -0.750 14.415 -20.982 1.00 0.00 C ATOM 674 C ALA A 45 -0.328 13.504 -19.830 1.00 0.00 C ATOM 675 O ALA A 45 0.833 13.505 -19.432 1.00 0.00 O ATOM 676 CB ALA A 45 -1.285 15.753 -20.446 1.00 0.00 C ATOM 0 H ALA A 45 -2.695 14.183 -21.731 1.00 0.00 H new ATOM 0 HA ALA A 45 0.127 14.613 -21.598 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.521 16.231 -19.833 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.539 16.405 -21.282 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.175 15.574 -19.843 1.00 0.00 H new ATOM 682 N ALA A 46 -1.304 12.735 -19.307 1.00 0.00 N ATOM 683 CA ALA A 46 -1.085 11.751 -18.236 1.00 0.00 C ATOM 684 C ALA A 46 -0.397 10.483 -18.781 1.00 0.00 C ATOM 685 O ALA A 46 0.438 9.895 -18.102 1.00 0.00 O ATOM 686 CB ALA A 46 -2.417 11.419 -17.552 1.00 0.00 C ATOM 0 H ALA A 46 -2.273 12.782 -19.621 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.416 12.184 -17.492 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.247 10.690 -16.760 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.843 12.327 -17.124 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.109 11.004 -18.285 1.00 0.00 H new ATOM 692 N ILE A 47 -0.747 10.091 -20.023 1.00 0.00 N ATOM 693 CA ILE A 47 -0.102 8.964 -20.735 1.00 0.00 C ATOM 694 C ILE A 47 1.386 9.279 -20.969 1.00 0.00 C ATOM 695 O ILE A 47 2.265 8.473 -20.638 1.00 0.00 O ATOM 696 CB ILE A 47 -0.837 8.652 -22.108 1.00 0.00 C ATOM 697 CG1 ILE A 47 -2.218 7.954 -21.862 1.00 0.00 C ATOM 698 CG2 ILE A 47 0.042 7.819 -23.087 1.00 0.00 C ATOM 699 CD1 ILE A 47 -2.134 6.574 -21.209 1.00 0.00 C ATOM 0 H ILE A 47 -1.484 10.545 -20.562 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.182 8.072 -20.114 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.016 9.613 -22.590 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.829 8.601 -21.233 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.735 7.857 -22.817 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.512 7.636 -24.008 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.954 8.370 -23.316 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.300 6.867 -22.624 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.138 6.171 -21.079 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.554 5.905 -21.845 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.649 6.661 -20.236 1.00 0.00 H new ATOM 711 N LYS A 48 1.651 10.485 -21.497 1.00 0.00 N ATOM 712 CA LYS A 48 3.010 10.924 -21.824 1.00 0.00 C ATOM 713 C LYS A 48 3.787 11.276 -20.538 1.00 0.00 C ATOM 714 O LYS A 48 5.011 11.238 -20.529 1.00 0.00 O ATOM 715 CB LYS A 48 2.975 12.117 -22.815 1.00 0.00 C ATOM 716 CG LYS A 48 4.332 12.427 -23.488 1.00 0.00 C ATOM 717 CD LYS A 48 4.918 11.211 -24.257 1.00 0.00 C ATOM 718 CE LYS A 48 6.225 11.533 -24.999 1.00 0.00 C ATOM 719 NZ LYS A 48 6.018 12.508 -26.095 1.00 0.00 N ATOM 0 H LYS A 48 0.931 11.177 -21.707 1.00 0.00 H new ATOM 0 HA LYS A 48 3.535 10.104 -22.315 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.238 11.908 -23.590 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.635 13.006 -22.283 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.207 13.261 -24.179 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.044 12.747 -22.727 1.00 0.00 H new ATOM 0 HD2 LYS A 48 5.098 10.398 -23.554 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.180 10.854 -24.975 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.954 11.931 -24.293 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.646 10.614 -25.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.897 12.607 -26.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.257 12.172 -26.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.755 13.431 -25.694 1.00 0.00 H new ATOM 733 N ALA A 49 3.050 11.604 -19.451 1.00 0.00 N ATOM 734 CA ALA A 49 3.632 11.774 -18.105 1.00 0.00 C ATOM 735 C ALA A 49 4.300 10.471 -17.646 1.00 0.00 C ATOM 736 O ALA A 49 5.424 10.500 -17.152 1.00 0.00 O ATOM 737 CB ALA A 49 2.569 12.228 -17.088 1.00 0.00 C ATOM 0 H ALA A 49 2.042 11.757 -19.485 1.00 0.00 H new ATOM 0 HA ALA A 49 4.390 12.555 -18.161 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.030 12.344 -16.107 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.146 13.181 -17.405 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.778 11.481 -17.031 1.00 0.00 H new ATOM 743 N LEU A 50 3.598 9.336 -17.862 1.00 0.00 N ATOM 744 CA LEU A 50 4.111 7.982 -17.545 1.00 0.00 C ATOM 745 C LEU A 50 5.279 7.571 -18.467 1.00 0.00 C ATOM 746 O LEU A 50 6.205 6.892 -18.013 1.00 0.00 O ATOM 747 CB LEU A 50 2.972 6.904 -17.607 1.00 0.00 C ATOM 748 CG LEU A 50 2.167 6.653 -16.287 1.00 0.00 C ATOM 749 CD1 LEU A 50 3.109 6.237 -15.132 1.00 0.00 C ATOM 750 CD2 LEU A 50 1.305 7.871 -15.898 1.00 0.00 C ATOM 0 H LEU A 50 2.659 9.332 -18.261 1.00 0.00 H new ATOM 0 HA LEU A 50 4.489 8.030 -16.524 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.267 7.198 -18.384 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.415 5.959 -17.920 1.00 0.00 H new ATOM 0 HG LEU A 50 1.483 5.826 -16.476 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.524 6.069 -14.228 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.632 5.319 -15.401 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.836 7.029 -14.952 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.764 7.654 -14.977 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.948 8.738 -15.746 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.593 8.083 -16.696 1.00 0.00 H new ATOM 762 N GLU A 51 5.216 7.963 -19.759 1.00 0.00 N ATOM 763 CA GLU A 51 6.285 7.664 -20.737 1.00 0.00 C ATOM 764 C GLU A 51 7.596 8.329 -20.326 1.00 0.00 C ATOM 765 O GLU A 51 8.611 7.652 -20.144 1.00 0.00 O ATOM 766 CB GLU A 51 5.878 8.125 -22.163 1.00 0.00 C ATOM 767 CG GLU A 51 4.673 7.381 -22.762 1.00 0.00 C ATOM 768 CD GLU A 51 4.924 5.868 -22.908 1.00 0.00 C ATOM 769 OE1 GLU A 51 5.588 5.456 -23.880 1.00 0.00 O ATOM 770 OE2 GLU A 51 4.494 5.089 -22.028 1.00 0.00 O ATOM 0 H GLU A 51 4.434 8.489 -20.149 1.00 0.00 H new ATOM 0 HA GLU A 51 6.430 6.584 -20.751 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.651 9.191 -22.134 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.732 7.999 -22.828 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.800 7.541 -22.129 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.439 7.803 -23.740 1.00 0.00 H new ATOM 777 N LEU A 52 7.528 9.652 -20.136 1.00 0.00 N ATOM 778 CA LEU A 52 8.673 10.486 -19.739 1.00 0.00 C ATOM 779 C LEU A 52 9.165 10.132 -18.327 1.00 0.00 C ATOM 780 O LEU A 52 10.333 10.335 -18.008 1.00 0.00 O ATOM 781 CB LEU A 52 8.285 11.984 -19.804 1.00 0.00 C ATOM 782 CG LEU A 52 7.810 12.522 -21.188 1.00 0.00 C ATOM 783 CD1 LEU A 52 7.382 14.005 -21.085 1.00 0.00 C ATOM 784 CD2 LEU A 52 8.889 12.315 -22.277 1.00 0.00 C ATOM 0 H LEU A 52 6.665 10.182 -20.255 1.00 0.00 H new ATOM 0 HA LEU A 52 9.487 10.291 -20.437 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.491 12.162 -19.078 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.145 12.573 -19.486 1.00 0.00 H new ATOM 0 HG LEU A 52 6.936 11.944 -21.489 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.055 14.358 -22.063 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.562 14.099 -20.372 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.227 14.605 -20.747 1.00 0.00 H new ATOM 0 HD21 LEU A 52 8.524 12.701 -23.229 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.798 12.846 -21.994 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.106 11.251 -22.377 1.00 0.00 H new ATOM 796 N TYR A 53 8.249 9.615 -17.491 1.00 0.00 N ATOM 797 CA TYR A 53 8.567 9.184 -16.123 1.00 0.00 C ATOM 798 C TYR A 53 9.461 7.937 -16.135 1.00 0.00 C ATOM 799 O TYR A 53 10.534 7.945 -15.523 1.00 0.00 O ATOM 800 CB TYR A 53 7.270 8.924 -15.307 1.00 0.00 C ATOM 801 CG TYR A 53 7.519 8.430 -13.875 1.00 0.00 C ATOM 802 CD1 TYR A 53 8.143 9.254 -12.933 1.00 0.00 C ATOM 803 CD2 TYR A 53 7.166 7.135 -13.476 1.00 0.00 C ATOM 804 CE1 TYR A 53 8.396 8.810 -11.658 1.00 0.00 C ATOM 805 CE2 TYR A 53 7.428 6.693 -12.199 1.00 0.00 C ATOM 806 CZ TYR A 53 8.042 7.535 -11.300 1.00 0.00 C ATOM 807 OH TYR A 53 8.314 7.096 -10.037 1.00 0.00 O ATOM 0 H TYR A 53 7.270 9.485 -17.746 1.00 0.00 H new ATOM 0 HA TYR A 53 9.117 9.990 -15.637 1.00 0.00 H new ATOM 0 HB2 TYR A 53 6.688 9.845 -15.266 1.00 0.00 H new ATOM 0 HB3 TYR A 53 6.664 8.187 -15.834 1.00 0.00 H new ATOM 0 HD1 TYR A 53 8.431 10.257 -13.213 1.00 0.00 H new ATOM 0 HD2 TYR A 53 6.682 6.474 -14.180 1.00 0.00 H new ATOM 0 HE1 TYR A 53 8.872 9.462 -10.941 1.00 0.00 H new ATOM 0 HE2 TYR A 53 7.153 5.691 -11.904 1.00 0.00 H new ATOM 0 HH TYR A 53 8.001 6.173 -9.937 1.00 0.00 H new ATOM 817 N LYS A 54 9.019 6.886 -16.850 1.00 0.00 N ATOM 818 CA LYS A 54 9.670 5.564 -16.804 1.00 0.00 C ATOM 819 C LYS A 54 11.049 5.605 -17.490 1.00 0.00 C ATOM 820 O LYS A 54 11.980 4.933 -17.050 1.00 0.00 O ATOM 821 CB LYS A 54 8.768 4.459 -17.431 1.00 0.00 C ATOM 822 CG LYS A 54 8.617 4.511 -18.968 1.00 0.00 C ATOM 823 CD LYS A 54 7.792 3.324 -19.531 1.00 0.00 C ATOM 824 CE LYS A 54 7.875 3.224 -21.064 1.00 0.00 C ATOM 825 NZ LYS A 54 7.388 4.448 -21.728 1.00 0.00 N ATOM 0 H LYS A 54 8.210 6.928 -17.469 1.00 0.00 H new ATOM 0 HA LYS A 54 9.820 5.308 -15.755 1.00 0.00 H new ATOM 0 HB2 LYS A 54 9.174 3.485 -17.157 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.776 4.528 -16.984 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.136 5.448 -19.250 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.606 4.510 -19.426 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.151 2.394 -19.089 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.750 3.437 -19.233 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.908 3.039 -21.359 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.288 2.370 -21.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.462 4.336 -22.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.394 4.612 -21.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.964 5.260 -21.425 1.00 0.00 H new ATOM 839 N ILE A 55 11.165 6.411 -18.567 1.00 0.00 N ATOM 840 CA ILE A 55 12.438 6.595 -19.297 1.00 0.00 C ATOM 841 C ILE A 55 13.314 7.653 -18.600 1.00 0.00 C ATOM 842 O ILE A 55 14.526 7.713 -18.845 1.00 0.00 O ATOM 843 CB ILE A 55 12.196 6.989 -20.810 1.00 0.00 C ATOM 844 CG1 ILE A 55 11.596 8.435 -20.952 1.00 0.00 C ATOM 845 CG2 ILE A 55 11.279 5.940 -21.511 1.00 0.00 C ATOM 846 CD1 ILE A 55 11.328 8.885 -22.383 1.00 0.00 C ATOM 0 H ILE A 55 10.388 6.948 -18.952 1.00 0.00 H new ATOM 0 HA ILE A 55 12.962 5.639 -19.285 1.00 0.00 H new ATOM 0 HB ILE A 55 13.167 6.991 -21.305 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.662 8.481 -20.392 1.00 0.00 H new ATOM 0 HG13 ILE A 55 12.281 9.143 -20.487 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.124 6.229 -22.551 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.753 4.959 -21.473 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.317 5.898 -20.999 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.916 9.894 -22.376 1.00 0.00 H new ATOM 0 HD12 ILE A 55 12.261 8.878 -22.947 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.616 8.205 -22.851 1.00 0.00 H new ATOM 858 N ASN A 56 12.676 8.472 -17.718 1.00 0.00 N ATOM 859 CA ASN A 56 13.314 9.588 -16.990 1.00 0.00 C ATOM 860 C ASN A 56 13.936 10.588 -17.982 1.00 0.00 C ATOM 861 O ASN A 56 15.164 10.724 -18.083 1.00 0.00 O ATOM 862 CB ASN A 56 14.339 9.073 -15.937 1.00 0.00 C ATOM 863 CG ASN A 56 13.697 8.227 -14.829 1.00 0.00 C ATOM 864 OD1 ASN A 56 13.282 8.747 -13.789 1.00 0.00 O ATOM 865 ND2 ASN A 56 13.585 6.923 -15.045 1.00 0.00 N ATOM 0 H ASN A 56 11.686 8.367 -17.494 1.00 0.00 H new ATOM 0 HA ASN A 56 12.546 10.120 -16.429 1.00 0.00 H new ATOM 0 HB2 ASN A 56 15.101 8.480 -16.442 1.00 0.00 H new ATOM 0 HB3 ASN A 56 14.846 9.926 -15.486 1.00 0.00 H new ATOM 0 HD21 ASN A 56 13.148 6.326 -14.343 1.00 0.00 H new ATOM 0 HD22 ASN A 56 13.936 6.518 -15.913 1.00 0.00 H new ATOM 872 N ALA A 57 13.051 11.238 -18.759 1.00 0.00 N ATOM 873 CA ALA A 57 13.420 12.218 -19.797 1.00 0.00 C ATOM 874 C ALA A 57 13.687 13.610 -19.188 1.00 0.00 C ATOM 875 O ALA A 57 13.860 13.744 -17.966 1.00 0.00 O ATOM 876 CB ALA A 57 12.302 12.273 -20.851 1.00 0.00 C ATOM 0 H ALA A 57 12.044 11.095 -18.682 1.00 0.00 H new ATOM 0 HA ALA A 57 14.348 11.903 -20.274 1.00 0.00 H new ATOM 0 HB1 ALA A 57 12.565 12.995 -21.624 1.00 0.00 H new ATOM 0 HB2 ALA A 57 12.178 11.288 -21.302 1.00 0.00 H new ATOM 0 HB3 ALA A 57 11.368 12.574 -20.376 1.00 0.00 H new ATOM 882 N LYS A 58 13.742 14.635 -20.062 1.00 0.00 N ATOM 883 CA LYS A 58 13.970 16.025 -19.659 1.00 0.00 C ATOM 884 C LYS A 58 12.738 16.574 -18.907 1.00 0.00 C ATOM 885 O LYS A 58 11.736 16.969 -19.528 1.00 0.00 O ATOM 886 CB LYS A 58 14.296 16.895 -20.905 1.00 0.00 C ATOM 887 CG LYS A 58 15.464 16.359 -21.765 1.00 0.00 C ATOM 888 CD LYS A 58 15.771 17.258 -22.987 1.00 0.00 C ATOM 889 CE LYS A 58 16.302 18.648 -22.596 1.00 0.00 C ATOM 890 NZ LYS A 58 17.613 18.565 -21.900 1.00 0.00 N ATOM 0 H LYS A 58 13.628 14.515 -21.069 1.00 0.00 H new ATOM 0 HA LYS A 58 14.823 16.063 -18.982 1.00 0.00 H new ATOM 0 HB2 LYS A 58 13.404 16.966 -21.528 1.00 0.00 H new ATOM 0 HB3 LYS A 58 14.536 17.906 -20.575 1.00 0.00 H new ATOM 0 HG2 LYS A 58 16.357 16.278 -21.146 1.00 0.00 H new ATOM 0 HG3 LYS A 58 15.223 15.354 -22.111 1.00 0.00 H new ATOM 0 HD2 LYS A 58 16.505 16.761 -23.621 1.00 0.00 H new ATOM 0 HD3 LYS A 58 14.864 17.376 -23.581 1.00 0.00 H new ATOM 0 HE2 LYS A 58 16.404 19.262 -23.491 1.00 0.00 H new ATOM 0 HE3 LYS A 58 15.578 19.144 -21.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 18.000 19.522 -21.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 17.484 18.118 -20.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 18.273 17.996 -22.469 1.00 0.00 H new ATOM 904 N LEU A 59 12.801 16.525 -17.567 1.00 0.00 N ATOM 905 CA LEU A 59 11.809 17.163 -16.697 1.00 0.00 C ATOM 906 C LEU A 59 12.274 18.582 -16.368 1.00 0.00 C ATOM 907 O LEU A 59 13.464 18.821 -16.146 1.00 0.00 O ATOM 908 CB LEU A 59 11.612 16.350 -15.389 1.00 0.00 C ATOM 909 CG LEU A 59 10.589 16.934 -14.347 1.00 0.00 C ATOM 910 CD1 LEU A 59 9.176 17.111 -14.959 1.00 0.00 C ATOM 911 CD2 LEU A 59 10.529 16.066 -13.068 1.00 0.00 C ATOM 0 H LEU A 59 13.542 16.041 -17.060 1.00 0.00 H new ATOM 0 HA LEU A 59 10.852 17.198 -17.217 1.00 0.00 H new ATOM 0 HB2 LEU A 59 11.289 15.344 -15.658 1.00 0.00 H new ATOM 0 HB3 LEU A 59 12.581 16.253 -14.899 1.00 0.00 H new ATOM 0 HG LEU A 59 10.952 17.923 -14.068 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.501 17.517 -14.205 1.00 0.00 H new ATOM 0 HD12 LEU A 59 9.229 17.796 -15.805 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.803 16.145 -15.298 1.00 0.00 H new ATOM 0 HD21 LEU A 59 9.813 16.497 -12.369 1.00 0.00 H new ATOM 0 HD22 LEU A 59 10.217 15.055 -13.329 1.00 0.00 H new ATOM 0 HD23 LEU A 59 11.515 16.033 -12.604 1.00 0.00 H new ATOM 923 N CYS A 60 11.324 19.510 -16.346 1.00 0.00 N ATOM 924 CA CYS A 60 11.552 20.881 -15.914 1.00 0.00 C ATOM 925 C CYS A 60 11.185 20.980 -14.427 1.00 0.00 C ATOM 926 O CYS A 60 9.990 20.994 -14.076 1.00 0.00 O ATOM 927 CB CYS A 60 10.690 21.846 -16.733 1.00 0.00 C ATOM 928 SG CYS A 60 10.935 21.767 -18.527 1.00 0.00 S ATOM 0 H CYS A 60 10.362 19.327 -16.632 1.00 0.00 H new ATOM 0 HA CYS A 60 12.597 21.151 -16.064 1.00 0.00 H new ATOM 0 HB2 CYS A 60 9.641 21.644 -16.516 1.00 0.00 H new ATOM 0 HB3 CYS A 60 10.894 22.863 -16.399 1.00 0.00 H new ATOM 933 N ASP A 61 12.209 20.982 -13.564 1.00 0.00 N ATOM 934 CA ASP A 61 12.029 21.136 -12.110 1.00 0.00 C ATOM 935 C ASP A 61 11.668 22.602 -11.781 1.00 0.00 C ATOM 936 O ASP A 61 12.206 23.527 -12.417 1.00 0.00 O ATOM 937 CB ASP A 61 13.311 20.703 -11.345 1.00 0.00 C ATOM 938 CG ASP A 61 14.560 21.536 -11.705 1.00 0.00 C ATOM 939 OD1 ASP A 61 15.119 21.335 -12.804 1.00 0.00 O ATOM 940 OD2 ASP A 61 15.003 22.374 -10.893 1.00 0.00 O ATOM 0 H ASP A 61 13.183 20.878 -13.850 1.00 0.00 H new ATOM 0 HA ASP A 61 11.213 20.489 -11.788 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.128 20.783 -10.273 1.00 0.00 H new ATOM 0 HB3 ASP A 61 13.512 19.653 -11.556 1.00 0.00 H new ATOM 945 N PRO A 62 10.722 22.848 -10.814 1.00 0.00 N ATOM 946 CA PRO A 62 10.433 24.218 -10.354 1.00 0.00 C ATOM 947 C PRO A 62 11.538 24.699 -9.380 1.00 0.00 C ATOM 948 O PRO A 62 11.626 24.231 -8.237 1.00 0.00 O ATOM 949 CB PRO A 62 9.045 24.074 -9.667 1.00 0.00 C ATOM 950 CG PRO A 62 9.000 22.652 -9.176 1.00 0.00 C ATOM 951 CD PRO A 62 9.837 21.839 -10.155 1.00 0.00 C ATOM 0 HA PRO A 62 10.415 24.964 -11.149 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.937 24.780 -8.843 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.235 24.276 -10.368 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.400 22.576 -8.165 1.00 0.00 H new ATOM 0 HG3 PRO A 62 7.975 22.284 -9.141 1.00 0.00 H new ATOM 0 HD2 PRO A 62 10.420 21.075 -9.641 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.209 21.325 -10.883 1.00 0.00 H new ATOM 959 N HIS A 63 12.393 25.615 -9.859 1.00 0.00 N ATOM 960 CA HIS A 63 13.500 26.189 -9.069 1.00 0.00 C ATOM 961 C HIS A 63 13.350 27.725 -9.064 1.00 0.00 C ATOM 962 O HIS A 63 13.757 28.374 -10.036 1.00 0.00 O ATOM 963 CB HIS A 63 14.882 25.744 -9.647 1.00 0.00 C ATOM 964 CG HIS A 63 16.069 26.133 -8.788 1.00 0.00 C ATOM 965 ND1 HIS A 63 16.582 25.319 -7.800 1.00 0.00 N ATOM 966 CD2 HIS A 63 16.848 27.246 -8.786 1.00 0.00 C ATOM 967 CE1 HIS A 63 17.613 25.908 -7.233 1.00 0.00 C ATOM 968 NE2 HIS A 63 17.794 27.077 -7.811 1.00 0.00 N ATOM 0 H HIS A 63 12.338 25.982 -10.809 1.00 0.00 H new ATOM 0 HA HIS A 63 13.458 25.823 -8.043 1.00 0.00 H new ATOM 0 HB2 HIS A 63 14.879 24.661 -9.774 1.00 0.00 H new ATOM 0 HB3 HIS A 63 15.006 26.180 -10.638 1.00 0.00 H new ATOM 0 HD2 HIS A 63 16.741 28.104 -9.433 1.00 0.00 H new ATOM 0 HE1 HIS A 63 18.210 25.501 -6.430 1.00 0.00 H new ATOM 0 HE2 HIS A 63 18.523 27.749 -7.571 1.00 0.00 H new ATOM 977 N PRO A 64 12.696 28.318 -8.012 1.00 0.00 N ATOM 978 CA PRO A 64 12.560 29.790 -7.878 1.00 0.00 C ATOM 979 C PRO A 64 13.936 30.483 -7.656 1.00 0.00 C ATOM 980 O PRO A 64 14.450 31.123 -8.598 1.00 0.00 O ATOM 981 CB PRO A 64 11.595 29.962 -6.660 1.00 0.00 C ATOM 982 CG PRO A 64 10.943 28.618 -6.494 1.00 0.00 C ATOM 983 CD PRO A 64 11.994 27.614 -6.909 1.00 0.00 C ATOM 984 OXT PRO A 64 14.528 30.336 -6.563 1.00 0.00 O ATOM 0 HA PRO A 64 12.171 30.263 -8.780 1.00 0.00 H new ATOM 0 HB2 PRO A 64 12.140 30.251 -5.761 1.00 0.00 H new ATOM 0 HB3 PRO A 64 10.855 30.740 -6.848 1.00 0.00 H new ATOM 0 HG2 PRO A 64 10.630 28.457 -5.462 1.00 0.00 H new ATOM 0 HG3 PRO A 64 10.051 28.534 -7.115 1.00 0.00 H new ATOM 0 HD2 PRO A 64 12.669 27.371 -6.088 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.550 26.677 -7.244 1.00 0.00 H new TER 992 PRO A 64 HETATM 993 ZN ZN A 65 9.748 23.391 -19.724 1.00 0.00 ZN