USER MOD reduce.3.24.130724 H: found=0, std=0, add=374, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 373 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 1 PHE N :NH3+ -160:sc= -6.89! (180deg=-0.286) USER MOD Set 1.2: A 4 GLN : amide:sc= -6.16! C(o=-13!,f=-2.6!) USER MOD Single : A 3 ASN : amide:sc= -0.945 K(o=-0.94,f=-3.8!) USER MOD Single : A 5 HIS : no HD1:sc= -2.19! C(o=-2.2!,f=-8.8!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.241 USER MOD Single : A 41 GLN : amide:sc= -0.197 K(o=-0.2,f=-1.2) USER MOD Single : A 44 HIS : no HD1:sc= -0.0417 X(o=-0.042,f=0.0038) USER MOD Single : A 45 SER OG : rot 66:sc= 0.801 USER MOD Single : A 48 SER OG : rot 180:sc= 0.00628 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.844 K(o=-0.84,f=-1.6) USER MOD Single : A 54 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 55 TYR OH : rot 103:sc= 0.416 USER MOD Single : A 57 ASN : amide:sc= -2.11! C(o=-2.1!,f=-5.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 -5.315 -12.440 3.060 1.00 0.00 N ATOM 2 CA PHE A 1 -5.119 -11.601 1.846 1.00 0.00 C ATOM 3 C PHE A 1 -6.000 -12.152 0.720 1.00 0.00 C ATOM 4 O PHE A 1 -5.648 -12.097 -0.442 1.00 0.00 O ATOM 5 CB PHE A 1 -3.644 -11.673 1.434 1.00 0.00 C ATOM 6 CG PHE A 1 -3.233 -10.583 0.467 1.00 0.00 C ATOM 7 CD1 PHE A 1 -4.158 -9.728 -0.149 1.00 0.00 C ATOM 8 CD2 PHE A 1 -1.873 -10.441 0.188 1.00 0.00 C ATOM 9 CE1 PHE A 1 -3.711 -8.752 -1.030 1.00 0.00 C ATOM 10 CE2 PHE A 1 -1.431 -9.460 -0.691 1.00 0.00 C ATOM 11 CZ PHE A 1 -2.346 -8.615 -1.302 1.00 0.00 C ATOM 0 H1 PHE A 1 -5.011 -11.910 3.901 1.00 0.00 H new ATOM 0 H2 PHE A 1 -6.321 -12.688 3.152 1.00 0.00 H new ATOM 0 H3 PHE A 1 -4.750 -13.309 2.976 1.00 0.00 H new ATOM 0 HA PHE A 1 -5.392 -10.565 2.047 1.00 0.00 H new ATOM 0 HB2 PHE A 1 -3.022 -11.609 2.327 1.00 0.00 H new ATOM 0 HB3 PHE A 1 -3.449 -12.644 0.979 1.00 0.00 H new ATOM 0 HD1 PHE A 1 -5.213 -9.828 0.061 1.00 0.00 H new ATOM 0 HD2 PHE A 1 -1.158 -11.099 0.659 1.00 0.00 H new ATOM 0 HE1 PHE A 1 -4.422 -8.095 -1.508 1.00 0.00 H new ATOM 0 HE2 PHE A 1 -0.376 -9.355 -0.898 1.00 0.00 H new ATOM 0 HZ PHE A 1 -2.005 -7.853 -1.987 1.00 0.00 H new ATOM 23 N VAL A 2 -7.135 -12.701 1.063 1.00 0.00 N ATOM 24 CA VAL A 2 -8.044 -13.285 0.028 1.00 0.00 C ATOM 25 C VAL A 2 -9.184 -12.308 -0.297 1.00 0.00 C ATOM 26 O VAL A 2 -9.069 -11.472 -1.171 1.00 0.00 O ATOM 27 CB VAL A 2 -8.628 -14.595 0.591 1.00 0.00 C ATOM 28 CG1 VAL A 2 -7.665 -15.756 0.318 1.00 0.00 C ATOM 29 CG2 VAL A 2 -8.833 -14.455 2.109 1.00 0.00 C ATOM 0 H VAL A 2 -7.475 -12.771 2.022 1.00 0.00 H new ATOM 0 HA VAL A 2 -7.487 -13.476 -0.889 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.583 -14.796 0.106 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.085 -16.679 0.719 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.518 -15.861 -0.757 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -6.707 -15.555 0.798 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -9.246 -15.382 2.507 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -7.876 -14.249 2.588 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -9.523 -13.635 2.309 1.00 0.00 H new ATOM 39 N ASN A 3 -10.288 -12.424 0.397 1.00 0.00 N ATOM 40 CA ASN A 3 -11.463 -11.529 0.144 1.00 0.00 C ATOM 41 C ASN A 3 -11.562 -10.481 1.249 1.00 0.00 C ATOM 42 O ASN A 3 -12.630 -9.997 1.567 1.00 0.00 O ATOM 43 CB ASN A 3 -12.749 -12.360 0.114 1.00 0.00 C ATOM 44 CG ASN A 3 -12.562 -13.561 -0.812 1.00 0.00 C ATOM 45 OD1 ASN A 3 -11.800 -14.459 -0.519 1.00 0.00 O ATOM 46 ND2 ASN A 3 -13.235 -13.616 -1.925 1.00 0.00 N ATOM 0 H ASN A 3 -10.429 -13.110 1.139 1.00 0.00 H new ATOM 0 HA ASN A 3 -11.330 -11.031 -0.816 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -12.999 -12.699 1.120 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -13.582 -11.748 -0.232 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -13.122 -14.414 -2.551 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -13.876 -12.861 -2.171 1.00 0.00 H new ATOM 53 N GLN A 4 -10.460 -10.137 1.848 1.00 0.00 N ATOM 54 CA GLN A 4 -10.482 -9.131 2.947 1.00 0.00 C ATOM 55 C GLN A 4 -10.183 -7.741 2.375 1.00 0.00 C ATOM 56 O GLN A 4 -9.649 -7.599 1.293 1.00 0.00 O ATOM 57 CB GLN A 4 -9.431 -9.510 4.006 1.00 0.00 C ATOM 58 CG GLN A 4 -8.286 -10.299 3.359 1.00 0.00 C ATOM 59 CD GLN A 4 -7.227 -10.622 4.412 1.00 0.00 C ATOM 60 OE1 GLN A 4 -6.589 -9.735 4.944 1.00 0.00 O ATOM 61 NE2 GLN A 4 -7.015 -11.868 4.737 1.00 0.00 N ATOM 0 H GLN A 4 -9.538 -10.511 1.624 1.00 0.00 H new ATOM 0 HA GLN A 4 -11.467 -9.115 3.414 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -9.040 -8.609 4.479 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -9.895 -10.107 4.792 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -8.669 -11.220 2.919 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -7.843 -9.719 2.549 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -7.552 -12.610 4.289 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -6.312 -12.099 5.439 1.00 0.00 H new ATOM 70 N HIS A 5 -10.555 -6.718 3.095 1.00 0.00 N ATOM 71 CA HIS A 5 -10.337 -5.324 2.613 1.00 0.00 C ATOM 72 C HIS A 5 -8.979 -4.793 3.077 1.00 0.00 C ATOM 73 O HIS A 5 -8.622 -4.883 4.235 1.00 0.00 O ATOM 74 CB HIS A 5 -11.439 -4.432 3.183 1.00 0.00 C ATOM 75 CG HIS A 5 -11.515 -4.620 4.673 1.00 0.00 C ATOM 76 ND1 HIS A 5 -10.781 -5.597 5.335 1.00 0.00 N ATOM 77 CD2 HIS A 5 -12.231 -3.965 5.645 1.00 0.00 C ATOM 78 CE1 HIS A 5 -11.070 -5.503 6.646 1.00 0.00 C ATOM 79 NE2 HIS A 5 -11.945 -4.526 6.884 1.00 0.00 N ATOM 0 H HIS A 5 -11.006 -6.790 4.007 1.00 0.00 H new ATOM 0 HA HIS A 5 -10.359 -5.319 1.523 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -11.235 -3.388 2.947 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -12.396 -4.681 2.725 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -12.910 -3.143 5.473 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -10.646 -6.139 7.409 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -12.326 -4.248 7.788 1.00 0.00 H new ATOM 87 N LEU A 6 -8.230 -4.219 2.173 1.00 0.00 N ATOM 88 CA LEU A 6 -6.898 -3.648 2.530 1.00 0.00 C ATOM 89 C LEU A 6 -7.063 -2.143 2.755 1.00 0.00 C ATOM 90 O LEU A 6 -7.661 -1.451 1.957 1.00 0.00 O ATOM 91 CB LEU A 6 -5.917 -3.875 1.362 1.00 0.00 C ATOM 92 CG LEU A 6 -5.118 -5.194 1.508 1.00 0.00 C ATOM 93 CD1 LEU A 6 -5.938 -6.305 2.180 1.00 0.00 C ATOM 94 CD2 LEU A 6 -4.693 -5.670 0.117 1.00 0.00 C ATOM 0 H LEU A 6 -8.488 -4.120 1.191 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.513 -4.128 3.429 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -6.471 -3.892 0.424 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.222 -3.037 1.307 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.254 -4.989 2.141 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.332 -7.208 2.258 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.239 -5.983 3.177 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -6.825 -6.514 1.583 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.129 -6.599 0.207 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -5.578 -5.841 -0.495 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.068 -4.910 -0.352 1.00 0.00 H new ATOM 106 N CYS A 7 -6.527 -1.628 3.825 1.00 0.00 N ATOM 107 CA CYS A 7 -6.643 -0.166 4.086 1.00 0.00 C ATOM 108 C CYS A 7 -5.403 0.310 4.851 1.00 0.00 C ATOM 109 O CYS A 7 -5.070 -0.205 5.899 1.00 0.00 O ATOM 110 CB CYS A 7 -7.918 0.098 4.906 1.00 0.00 C ATOM 111 SG CYS A 7 -8.662 1.668 4.387 1.00 0.00 S ATOM 0 H CYS A 7 -6.013 -2.156 4.531 1.00 0.00 H new ATOM 0 HA CYS A 7 -6.707 0.382 3.146 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -8.628 -0.717 4.765 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.678 0.131 5.969 1.00 0.00 H new ATOM 116 N GLY A 8 -4.724 1.293 4.334 1.00 0.00 N ATOM 117 CA GLY A 8 -3.507 1.805 5.029 1.00 0.00 C ATOM 118 C GLY A 8 -2.369 0.783 4.919 1.00 0.00 C ATOM 119 O GLY A 8 -2.249 0.073 3.940 1.00 0.00 O ATOM 0 H GLY A 8 -4.957 1.766 3.461 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -3.199 2.753 4.588 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -3.732 1.999 6.078 1.00 0.00 H new ATOM 123 N SER A 9 -1.530 0.711 5.919 1.00 0.00 N ATOM 124 CA SER A 9 -0.391 -0.254 5.887 1.00 0.00 C ATOM 125 C SER A 9 -0.871 -1.622 5.398 1.00 0.00 C ATOM 126 O SER A 9 -0.146 -2.342 4.741 1.00 0.00 O ATOM 127 CB SER A 9 0.190 -0.399 7.294 1.00 0.00 C ATOM 128 OG SER A 9 0.639 0.871 7.749 1.00 0.00 O ATOM 0 H SER A 9 -1.585 1.283 6.762 1.00 0.00 H new ATOM 0 HA SER A 9 0.372 0.121 5.205 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.565 -0.795 7.973 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.017 -1.109 7.287 1.00 0.00 H new ATOM 0 HG SER A 9 1.011 0.783 8.651 1.00 0.00 H new ATOM 134 N ASP A 10 -2.086 -1.991 5.706 1.00 0.00 N ATOM 135 CA ASP A 10 -2.597 -3.313 5.249 1.00 0.00 C ATOM 136 C ASP A 10 -2.314 -3.461 3.751 1.00 0.00 C ATOM 137 O ASP A 10 -1.776 -4.455 3.304 1.00 0.00 O ATOM 138 CB ASP A 10 -4.109 -3.386 5.511 1.00 0.00 C ATOM 139 CG ASP A 10 -4.368 -3.833 6.953 1.00 0.00 C ATOM 140 OD1 ASP A 10 -4.199 -3.018 7.845 1.00 0.00 O ATOM 141 OD2 ASP A 10 -4.731 -4.983 7.140 1.00 0.00 O ATOM 0 H ASP A 10 -2.744 -1.435 6.253 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.103 -4.119 5.791 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -4.565 -2.411 5.336 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -4.574 -4.085 4.816 1.00 0.00 H new ATOM 146 N LEU A 11 -2.670 -2.476 2.975 1.00 0.00 N ATOM 147 CA LEU A 11 -2.420 -2.554 1.511 1.00 0.00 C ATOM 148 C LEU A 11 -0.921 -2.748 1.260 1.00 0.00 C ATOM 149 O LEU A 11 -0.507 -3.693 0.619 1.00 0.00 O ATOM 150 CB LEU A 11 -2.888 -1.253 0.833 1.00 0.00 C ATOM 151 CG LEU A 11 -2.457 -1.235 -0.642 1.00 0.00 C ATOM 152 CD1 LEU A 11 -2.874 -2.525 -1.332 1.00 0.00 C ATOM 153 CD2 LEU A 11 -3.125 -0.065 -1.368 1.00 0.00 C ATOM 0 H LEU A 11 -3.124 -1.620 3.293 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.973 -3.396 1.095 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.972 -1.168 0.903 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.467 -0.392 1.353 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.373 -1.131 -0.677 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.562 -2.497 -2.376 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.402 -3.373 -0.835 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.958 -2.631 -1.280 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.814 -0.060 -2.413 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.208 -0.173 -1.312 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.829 0.872 -0.897 1.00 0.00 H new ATOM 165 N VAL A 12 -0.107 -1.852 1.753 1.00 0.00 N ATOM 166 CA VAL A 12 1.366 -1.970 1.538 1.00 0.00 C ATOM 167 C VAL A 12 1.817 -3.410 1.789 1.00 0.00 C ATOM 168 O VAL A 12 2.256 -4.099 0.890 1.00 0.00 O ATOM 169 CB VAL A 12 2.101 -1.041 2.509 1.00 0.00 C ATOM 170 CG1 VAL A 12 3.591 -0.995 2.155 1.00 0.00 C ATOM 171 CG2 VAL A 12 1.518 0.370 2.408 1.00 0.00 C ATOM 0 H VAL A 12 -0.400 -1.041 2.297 1.00 0.00 H new ATOM 0 HA VAL A 12 1.597 -1.691 0.510 1.00 0.00 H new ATOM 0 HB VAL A 12 1.979 -1.418 3.524 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.109 -0.333 2.848 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.013 -1.997 2.226 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.712 -0.622 1.138 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.042 1.030 3.099 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.638 0.741 1.390 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.458 0.345 2.662 1.00 0.00 H new ATOM 181 N GLU A 13 1.717 -3.869 3.006 1.00 0.00 N ATOM 182 CA GLU A 13 2.146 -5.262 3.315 1.00 0.00 C ATOM 183 C GLU A 13 1.559 -6.214 2.277 1.00 0.00 C ATOM 184 O GLU A 13 2.139 -7.229 1.956 1.00 0.00 O ATOM 185 CB GLU A 13 1.645 -5.654 4.704 1.00 0.00 C ATOM 186 CG GLU A 13 2.162 -4.651 5.737 1.00 0.00 C ATOM 187 CD GLU A 13 1.600 -5.002 7.116 1.00 0.00 C ATOM 188 OE1 GLU A 13 0.389 -4.990 7.260 1.00 0.00 O ATOM 189 OE2 GLU A 13 2.390 -5.278 8.003 1.00 0.00 O ATOM 0 H GLU A 13 1.357 -3.340 3.800 1.00 0.00 H new ATOM 0 HA GLU A 13 3.234 -5.321 3.292 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.555 -5.675 4.716 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.986 -6.658 4.955 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.252 -4.668 5.762 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.865 -3.640 5.458 1.00 0.00 H new ATOM 196 N ALA A 14 0.413 -5.892 1.745 1.00 0.00 N ATOM 197 CA ALA A 14 -0.207 -6.779 0.724 1.00 0.00 C ATOM 198 C ALA A 14 0.497 -6.568 -0.623 1.00 0.00 C ATOM 199 O ALA A 14 0.983 -7.505 -1.222 1.00 0.00 O ATOM 200 CB ALA A 14 -1.715 -6.469 0.626 1.00 0.00 C ATOM 0 H ALA A 14 -0.120 -5.053 1.974 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.093 -7.825 1.009 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.172 -7.118 -0.121 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.186 -6.643 1.594 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.854 -5.427 0.336 1.00 0.00 H new ATOM 206 N LEU A 15 0.574 -5.356 -1.110 1.00 0.00 N ATOM 207 CA LEU A 15 1.266 -5.151 -2.414 1.00 0.00 C ATOM 208 C LEU A 15 2.642 -5.826 -2.351 1.00 0.00 C ATOM 209 O LEU A 15 3.124 -6.372 -3.322 1.00 0.00 O ATOM 210 CB LEU A 15 1.470 -3.656 -2.705 1.00 0.00 C ATOM 211 CG LEU A 15 0.158 -3.001 -3.194 1.00 0.00 C ATOM 212 CD1 LEU A 15 0.196 -1.488 -2.929 1.00 0.00 C ATOM 213 CD2 LEU A 15 -0.007 -3.212 -4.704 1.00 0.00 C ATOM 0 H LEU A 15 0.196 -4.517 -0.671 1.00 0.00 H new ATOM 0 HA LEU A 15 0.651 -5.581 -3.204 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.819 -3.151 -1.804 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.246 -3.532 -3.460 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.672 -3.460 -2.657 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.732 -1.034 -3.277 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.309 -1.309 -1.860 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.038 -1.046 -3.462 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.935 -2.746 -5.037 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.835 -2.760 -5.229 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.039 -4.280 -4.921 1.00 0.00 H new ATOM 225 N TYR A 16 3.280 -5.776 -1.211 1.00 0.00 N ATOM 226 CA TYR A 16 4.627 -6.396 -1.081 1.00 0.00 C ATOM 227 C TYR A 16 4.615 -7.824 -1.643 1.00 0.00 C ATOM 228 O TYR A 16 5.456 -8.178 -2.444 1.00 0.00 O ATOM 229 CB TYR A 16 5.042 -6.399 0.391 1.00 0.00 C ATOM 230 CG TYR A 16 6.374 -7.098 0.539 1.00 0.00 C ATOM 231 CD1 TYR A 16 7.517 -6.568 -0.074 1.00 0.00 C ATOM 232 CD2 TYR A 16 6.468 -8.273 1.290 1.00 0.00 C ATOM 233 CE1 TYR A 16 8.750 -7.215 0.065 1.00 0.00 C ATOM 234 CE2 TYR A 16 7.701 -8.922 1.430 1.00 0.00 C ATOM 235 CZ TYR A 16 8.843 -8.392 0.817 1.00 0.00 C ATOM 236 OH TYR A 16 10.059 -9.030 0.955 1.00 0.00 O ATOM 0 H TYR A 16 2.924 -5.332 -0.365 1.00 0.00 H new ATOM 0 HA TYR A 16 5.349 -5.815 -1.654 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.113 -5.376 0.762 1.00 0.00 H new ATOM 0 HB3 TYR A 16 4.286 -6.904 0.992 1.00 0.00 H new ATOM 0 HD1 TYR A 16 7.446 -5.660 -0.654 1.00 0.00 H new ATOM 0 HD2 TYR A 16 5.587 -8.681 1.764 1.00 0.00 H new ATOM 0 HE1 TYR A 16 9.630 -6.806 -0.408 1.00 0.00 H new ATOM 0 HE2 TYR A 16 7.771 -9.830 2.010 1.00 0.00 H new ATOM 0 HH TYR A 16 9.947 -9.831 1.509 1.00 0.00 H new ATOM 246 N LEU A 17 3.676 -8.650 -1.256 1.00 0.00 N ATOM 247 CA LEU A 17 3.654 -10.036 -1.814 1.00 0.00 C ATOM 248 C LEU A 17 3.299 -9.958 -3.294 1.00 0.00 C ATOM 249 O LEU A 17 3.958 -10.525 -4.142 1.00 0.00 O ATOM 250 CB LEU A 17 2.585 -10.895 -1.132 1.00 0.00 C ATOM 251 CG LEU A 17 2.818 -10.983 0.383 1.00 0.00 C ATOM 252 CD1 LEU A 17 2.499 -9.635 1.053 1.00 0.00 C ATOM 253 CD2 LEU A 17 1.913 -12.087 0.961 1.00 0.00 C ATOM 0 H LEU A 17 2.936 -8.430 -0.590 1.00 0.00 H new ATOM 0 HA LEU A 17 4.635 -10.483 -1.651 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.599 -10.473 -1.326 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.593 -11.897 -1.561 1.00 0.00 H new ATOM 0 HG LEU A 17 3.864 -11.222 0.577 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.669 -9.713 2.127 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.145 -8.861 0.639 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.457 -9.375 0.869 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.069 -12.159 2.037 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.869 -11.844 0.762 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.159 -13.041 0.494 1.00 0.00 H new ATOM 265 N VAL A 18 2.241 -9.262 -3.599 1.00 0.00 N ATOM 266 CA VAL A 18 1.798 -9.137 -5.012 1.00 0.00 C ATOM 267 C VAL A 18 2.968 -8.701 -5.892 1.00 0.00 C ATOM 268 O VAL A 18 3.336 -9.372 -6.836 1.00 0.00 O ATOM 269 CB VAL A 18 0.698 -8.079 -5.096 1.00 0.00 C ATOM 270 CG1 VAL A 18 0.198 -7.970 -6.520 1.00 0.00 C ATOM 271 CG2 VAL A 18 -0.473 -8.457 -4.201 1.00 0.00 C ATOM 0 H VAL A 18 1.659 -8.770 -2.921 1.00 0.00 H new ATOM 0 HA VAL A 18 1.426 -10.102 -5.357 1.00 0.00 H new ATOM 0 HB VAL A 18 1.115 -7.126 -4.769 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.586 -7.214 -6.574 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.022 -7.685 -7.174 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.203 -8.932 -6.839 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.247 -7.693 -4.273 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.880 -9.417 -4.520 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.132 -8.532 -3.168 1.00 0.00 H new ATOM 281 N CYS A 19 3.537 -7.569 -5.600 1.00 0.00 N ATOM 282 CA CYS A 19 4.665 -7.063 -6.427 1.00 0.00 C ATOM 283 C CYS A 19 5.943 -7.831 -6.086 1.00 0.00 C ATOM 284 O CYS A 19 6.860 -7.914 -6.877 1.00 0.00 O ATOM 285 CB CYS A 19 4.866 -5.579 -6.130 1.00 0.00 C ATOM 286 SG CYS A 19 3.256 -4.751 -6.013 1.00 0.00 S ATOM 0 H CYS A 19 3.269 -6.969 -4.820 1.00 0.00 H new ATOM 0 HA CYS A 19 4.438 -7.204 -7.484 1.00 0.00 H new ATOM 0 HB2 CYS A 19 5.416 -5.457 -5.197 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.465 -5.119 -6.916 1.00 0.00 H new ATOM 291 N GLY A 20 6.005 -8.395 -4.918 1.00 0.00 N ATOM 292 CA GLY A 20 7.218 -9.165 -4.525 1.00 0.00 C ATOM 293 C GLY A 20 8.476 -8.327 -4.763 1.00 0.00 C ATOM 294 O GLY A 20 8.577 -7.198 -4.326 1.00 0.00 O ATOM 0 H GLY A 20 5.268 -8.358 -4.214 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.154 -9.447 -3.474 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.273 -10.089 -5.101 1.00 0.00 H new ATOM 298 N GLU A 21 9.443 -8.880 -5.446 1.00 0.00 N ATOM 299 CA GLU A 21 10.705 -8.129 -5.705 1.00 0.00 C ATOM 300 C GLU A 21 10.486 -7.095 -6.807 1.00 0.00 C ATOM 301 O GLU A 21 11.288 -6.202 -6.997 1.00 0.00 O ATOM 302 CB GLU A 21 11.793 -9.104 -6.151 1.00 0.00 C ATOM 303 CG GLU A 21 12.181 -10.007 -4.980 1.00 0.00 C ATOM 304 CD GLU A 21 13.433 -10.807 -5.345 1.00 0.00 C ATOM 305 OE1 GLU A 21 13.421 -11.445 -6.385 1.00 0.00 O ATOM 306 OE2 GLU A 21 14.381 -10.769 -4.578 1.00 0.00 O ATOM 0 H GLU A 21 9.413 -9.822 -5.836 1.00 0.00 H new ATOM 0 HA GLU A 21 11.008 -7.622 -4.789 1.00 0.00 H new ATOM 0 HB2 GLU A 21 11.436 -9.707 -6.986 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.665 -8.555 -6.505 1.00 0.00 H new ATOM 0 HG2 GLU A 21 12.367 -9.406 -4.090 1.00 0.00 H new ATOM 0 HG3 GLU A 21 11.361 -10.684 -4.742 1.00 0.00 H new ATOM 313 N ARG A 22 9.417 -7.204 -7.541 1.00 0.00 N ATOM 314 CA ARG A 22 9.174 -6.218 -8.628 1.00 0.00 C ATOM 315 C ARG A 22 9.214 -4.809 -8.042 1.00 0.00 C ATOM 316 O ARG A 22 9.526 -3.852 -8.722 1.00 0.00 O ATOM 317 CB ARG A 22 7.798 -6.457 -9.255 1.00 0.00 C ATOM 318 CG ARG A 22 7.678 -7.915 -9.713 1.00 0.00 C ATOM 319 CD ARG A 22 6.259 -8.185 -10.245 1.00 0.00 C ATOM 320 NE ARG A 22 6.203 -7.856 -11.697 1.00 0.00 N ATOM 321 CZ ARG A 22 5.206 -8.283 -12.424 1.00 0.00 C ATOM 322 NH1 ARG A 22 4.259 -8.995 -11.877 1.00 0.00 N ATOM 323 NH2 ARG A 22 5.157 -7.998 -13.696 1.00 0.00 N ATOM 0 H ARG A 22 8.705 -7.927 -7.437 1.00 0.00 H new ATOM 0 HA ARG A 22 9.943 -6.331 -9.392 1.00 0.00 H new ATOM 0 HB2 ARG A 22 7.015 -6.228 -8.532 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.654 -5.788 -10.103 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.412 -8.122 -10.491 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.897 -8.585 -8.882 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.993 -9.230 -10.087 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.533 -7.585 -9.697 1.00 0.00 H new ATOM 0 HE ARG A 22 6.943 -7.298 -12.123 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.298 -9.217 -10.882 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.480 -9.329 -12.444 1.00 0.00 H new ATOM 0 HH21 ARG A 22 5.898 -7.442 -14.123 1.00 0.00 H new ATOM 0 HH22 ARG A 22 4.378 -8.332 -14.264 1.00 0.00 H new ATOM 337 N GLY A 23 8.889 -4.670 -6.786 1.00 0.00 N ATOM 338 CA GLY A 23 8.897 -3.320 -6.165 1.00 0.00 C ATOM 339 C GLY A 23 7.662 -2.561 -6.639 1.00 0.00 C ATOM 340 O GLY A 23 7.115 -2.848 -7.686 1.00 0.00 O ATOM 0 H GLY A 23 8.619 -5.433 -6.165 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.896 -3.403 -5.078 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.803 -2.781 -6.443 1.00 0.00 H new ATOM 344 N PHE A 24 7.203 -1.601 -5.885 1.00 0.00 N ATOM 345 CA PHE A 24 5.996 -0.850 -6.311 1.00 0.00 C ATOM 346 C PHE A 24 5.973 0.524 -5.656 1.00 0.00 C ATOM 347 O PHE A 24 6.773 0.836 -4.796 1.00 0.00 O ATOM 348 CB PHE A 24 4.749 -1.629 -5.902 1.00 0.00 C ATOM 349 CG PHE A 24 4.618 -1.646 -4.394 1.00 0.00 C ATOM 350 CD1 PHE A 24 5.225 -2.666 -3.652 1.00 0.00 C ATOM 351 CD2 PHE A 24 3.881 -0.649 -3.741 1.00 0.00 C ATOM 352 CE1 PHE A 24 5.093 -2.692 -2.259 1.00 0.00 C ATOM 353 CE2 PHE A 24 3.753 -0.676 -2.346 1.00 0.00 C ATOM 354 CZ PHE A 24 4.356 -1.697 -1.607 1.00 0.00 C ATOM 0 H PHE A 24 7.611 -1.307 -4.997 1.00 0.00 H new ATOM 0 HA PHE A 24 6.017 -0.725 -7.394 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.864 -1.174 -6.347 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.807 -2.649 -6.281 1.00 0.00 H new ATOM 0 HD1 PHE A 24 5.795 -3.433 -4.155 1.00 0.00 H new ATOM 0 HD2 PHE A 24 3.412 0.139 -4.312 1.00 0.00 H new ATOM 0 HE1 PHE A 24 5.560 -3.480 -1.687 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.188 0.093 -1.841 1.00 0.00 H new ATOM 0 HZ PHE A 24 4.253 -1.718 -0.532 1.00 0.00 H new ATOM 364 N PHE A 25 5.046 1.340 -6.068 1.00 0.00 N ATOM 365 CA PHE A 25 4.914 2.713 -5.502 1.00 0.00 C ATOM 366 C PHE A 25 3.559 2.843 -4.815 1.00 0.00 C ATOM 367 O PHE A 25 2.542 2.447 -5.348 1.00 0.00 O ATOM 368 CB PHE A 25 4.994 3.733 -6.643 1.00 0.00 C ATOM 369 CG PHE A 25 3.978 3.378 -7.708 1.00 0.00 C ATOM 370 CD1 PHE A 25 2.642 3.784 -7.573 1.00 0.00 C ATOM 371 CD2 PHE A 25 4.371 2.636 -8.829 1.00 0.00 C ATOM 372 CE1 PHE A 25 1.701 3.447 -8.557 1.00 0.00 C ATOM 373 CE2 PHE A 25 3.432 2.301 -9.813 1.00 0.00 C ATOM 374 CZ PHE A 25 2.098 2.707 -9.677 1.00 0.00 C ATOM 0 H PHE A 25 4.360 1.110 -6.787 1.00 0.00 H new ATOM 0 HA PHE A 25 5.713 2.895 -4.783 1.00 0.00 H new ATOM 0 HB2 PHE A 25 4.803 4.736 -6.262 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.997 3.740 -7.070 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.337 4.357 -6.710 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.399 2.322 -8.935 1.00 0.00 H new ATOM 0 HE1 PHE A 25 0.672 3.758 -8.451 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.737 1.729 -10.677 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.375 2.449 -10.437 1.00 0.00 H new ATOM 384 N TYR A 26 3.524 3.409 -3.644 1.00 0.00 N ATOM 385 CA TYR A 26 2.219 3.575 -2.959 1.00 0.00 C ATOM 386 C TYR A 26 1.463 4.688 -3.681 1.00 0.00 C ATOM 387 O TYR A 26 2.005 5.347 -4.546 1.00 0.00 O ATOM 388 CB TYR A 26 2.427 3.938 -1.481 1.00 0.00 C ATOM 389 CG TYR A 26 1.181 3.576 -0.697 1.00 0.00 C ATOM 390 CD1 TYR A 26 0.809 2.232 -0.564 1.00 0.00 C ATOM 391 CD2 TYR A 26 0.394 4.579 -0.115 1.00 0.00 C ATOM 392 CE1 TYR A 26 -0.347 1.896 0.152 1.00 0.00 C ATOM 393 CE2 TYR A 26 -0.760 4.238 0.601 1.00 0.00 C ATOM 394 CZ TYR A 26 -1.129 2.897 0.734 1.00 0.00 C ATOM 395 OH TYR A 26 -2.268 2.562 1.439 1.00 0.00 O ATOM 0 H TYR A 26 4.336 3.761 -3.136 1.00 0.00 H new ATOM 0 HA TYR A 26 1.652 2.645 -2.989 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.290 3.405 -1.082 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.636 5.003 -1.382 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.412 1.457 -1.013 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.678 5.616 -0.219 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.635 0.860 0.255 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.365 5.012 1.050 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.694 3.377 1.779 1.00 0.00 H new ATOM 405 N THR A 27 0.223 4.902 -3.362 1.00 0.00 N ATOM 406 CA THR A 27 -0.528 5.967 -4.074 1.00 0.00 C ATOM 407 C THR A 27 0.111 7.330 -3.789 1.00 0.00 C ATOM 408 O THR A 27 1.050 7.437 -3.026 1.00 0.00 O ATOM 409 CB THR A 27 -1.984 5.966 -3.622 1.00 0.00 C ATOM 410 OG1 THR A 27 -2.663 7.013 -4.282 1.00 0.00 O ATOM 411 CG2 THR A 27 -2.067 6.166 -2.108 1.00 0.00 C ATOM 0 H THR A 27 -0.299 4.394 -2.648 1.00 0.00 H new ATOM 0 HA THR A 27 -0.492 5.775 -5.146 1.00 0.00 H new ATOM 0 HB THR A 27 -2.444 5.009 -3.870 1.00 0.00 H new ATOM 0 HG1 THR A 27 -3.602 7.022 -4.001 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.112 6.163 -1.797 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.537 5.358 -1.605 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.612 7.120 -1.841 1.00 0.00 H new ATOM 419 N ASP A 28 -0.372 8.363 -4.431 1.00 0.00 N ATOM 420 CA ASP A 28 0.222 9.723 -4.242 1.00 0.00 C ATOM 421 C ASP A 28 0.531 9.970 -2.737 1.00 0.00 C ATOM 422 O ASP A 28 -0.197 9.493 -1.890 1.00 0.00 O ATOM 423 CB ASP A 28 -0.779 10.781 -4.771 1.00 0.00 C ATOM 424 CG ASP A 28 -0.142 11.622 -5.888 1.00 0.00 C ATOM 425 OD1 ASP A 28 0.063 11.084 -6.964 1.00 0.00 O ATOM 426 OD2 ASP A 28 0.126 12.787 -5.646 1.00 0.00 O ATOM 0 H ASP A 28 -1.157 8.323 -5.082 1.00 0.00 H new ATOM 0 HA ASP A 28 1.158 9.798 -4.796 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.674 10.286 -5.148 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.094 11.431 -3.955 1.00 0.00 H new ATOM 431 N PRO A 29 1.595 10.711 -2.437 1.00 0.00 N ATOM 432 CA PRO A 29 1.975 11.013 -1.035 1.00 0.00 C ATOM 433 C PRO A 29 1.066 12.109 -0.448 1.00 0.00 C ATOM 434 O PRO A 29 1.161 12.444 0.716 1.00 0.00 O ATOM 435 CB PRO A 29 3.415 11.549 -1.149 1.00 0.00 C ATOM 436 CG PRO A 29 3.583 12.034 -2.609 1.00 0.00 C ATOM 437 CD PRO A 29 2.514 11.302 -3.442 1.00 0.00 C ATOM 0 HA PRO A 29 1.885 10.142 -0.386 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.583 12.365 -0.446 1.00 0.00 H new ATOM 0 HB3 PRO A 29 4.140 10.770 -0.912 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.453 13.114 -2.676 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.583 11.809 -2.979 1.00 0.00 H new ATOM 0 HD2 PRO A 29 1.988 11.990 -4.104 1.00 0.00 H new ATOM 0 HD3 PRO A 29 2.961 10.532 -4.072 1.00 0.00 H new ATOM 518 N ARG A 36 -7.155 7.469 -5.257 1.00 0.00 N ATOM 519 CA ARG A 36 -8.230 6.662 -4.620 1.00 0.00 C ATOM 520 C ARG A 36 -8.443 5.393 -5.441 1.00 0.00 C ATOM 521 O ARG A 36 -9.238 4.542 -5.100 1.00 0.00 O ATOM 522 CB ARG A 36 -9.524 7.471 -4.574 1.00 0.00 C ATOM 523 CG ARG A 36 -9.923 7.914 -5.997 1.00 0.00 C ATOM 524 CD ARG A 36 -11.004 6.984 -6.580 1.00 0.00 C ATOM 525 NE ARG A 36 -10.919 7.001 -8.067 1.00 0.00 N ATOM 526 CZ ARG A 36 -11.520 6.076 -8.765 1.00 0.00 C ATOM 527 NH1 ARG A 36 -12.203 5.142 -8.160 1.00 0.00 N ATOM 528 NH2 ARG A 36 -11.440 6.086 -10.067 1.00 0.00 N ATOM 0 HA ARG A 36 -7.942 6.400 -3.602 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.321 6.872 -4.134 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.393 8.345 -3.936 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.294 8.939 -5.973 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.045 7.908 -6.643 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.866 5.969 -6.208 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.993 7.310 -6.257 1.00 0.00 H new ATOM 0 HE ARG A 36 -10.391 7.735 -8.540 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.267 5.135 -7.142 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -12.673 4.419 -8.705 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -10.908 6.817 -10.540 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -11.910 5.363 -10.612 1.00 0.00 H new ATOM 542 N GLY A 37 -7.737 5.265 -6.530 1.00 0.00 N ATOM 543 CA GLY A 37 -7.895 4.061 -7.385 1.00 0.00 C ATOM 544 C GLY A 37 -7.307 2.833 -6.688 1.00 0.00 C ATOM 545 O GLY A 37 -7.683 1.720 -6.984 1.00 0.00 O ATOM 0 H GLY A 37 -7.055 5.947 -6.864 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -8.951 3.895 -7.599 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -7.396 4.218 -8.341 1.00 0.00 H new ATOM 549 N ILE A 38 -6.374 3.015 -5.776 1.00 0.00 N ATOM 550 CA ILE A 38 -5.765 1.833 -5.074 1.00 0.00 C ATOM 551 C ILE A 38 -6.365 1.679 -3.662 1.00 0.00 C ATOM 552 O ILE A 38 -6.834 0.621 -3.292 1.00 0.00 O ATOM 553 CB ILE A 38 -4.209 2.004 -5.022 1.00 0.00 C ATOM 554 CG1 ILE A 38 -3.480 0.664 -5.309 1.00 0.00 C ATOM 555 CG2 ILE A 38 -3.718 2.557 -3.671 1.00 0.00 C ATOM 556 CD1 ILE A 38 -4.163 -0.533 -4.619 1.00 0.00 C ATOM 0 H ILE A 38 -6.011 3.924 -5.489 1.00 0.00 H new ATOM 0 HA ILE A 38 -5.993 0.922 -5.626 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.967 2.728 -5.800 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.451 0.492 -6.385 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.447 0.735 -4.969 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.633 2.655 -3.691 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -4.168 3.534 -3.493 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -4.006 1.874 -2.872 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.616 -1.447 -4.850 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.169 -0.376 -3.540 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.188 -0.623 -4.978 1.00 0.00 H new ATOM 568 N VAL A 39 -6.303 2.706 -2.857 1.00 0.00 N ATOM 569 CA VAL A 39 -6.810 2.589 -1.459 1.00 0.00 C ATOM 570 C VAL A 39 -8.313 2.304 -1.428 1.00 0.00 C ATOM 571 O VAL A 39 -8.734 1.270 -0.962 1.00 0.00 O ATOM 572 CB VAL A 39 -6.522 3.888 -0.696 1.00 0.00 C ATOM 573 CG1 VAL A 39 -6.678 3.631 0.805 1.00 0.00 C ATOM 574 CG2 VAL A 39 -5.089 4.367 -0.992 1.00 0.00 C ATOM 0 H VAL A 39 -5.924 3.619 -3.107 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.296 1.753 -0.985 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.224 4.659 -1.014 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.475 4.550 1.355 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.696 3.301 1.014 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.975 2.859 1.117 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.894 5.290 -0.446 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.378 3.603 -0.679 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.979 4.548 -2.061 1.00 0.00 H new ATOM 584 N GLU A 40 -9.126 3.208 -1.896 1.00 0.00 N ATOM 585 CA GLU A 40 -10.599 2.968 -1.853 1.00 0.00 C ATOM 586 C GLU A 40 -10.951 1.667 -2.578 1.00 0.00 C ATOM 587 O GLU A 40 -11.739 0.876 -2.100 1.00 0.00 O ATOM 588 CB GLU A 40 -11.330 4.132 -2.521 1.00 0.00 C ATOM 589 CG GLU A 40 -11.129 5.403 -1.694 1.00 0.00 C ATOM 590 CD GLU A 40 -12.050 6.505 -2.221 1.00 0.00 C ATOM 591 OE1 GLU A 40 -12.976 6.179 -2.945 1.00 0.00 O ATOM 592 OE2 GLU A 40 -11.814 7.656 -1.892 1.00 0.00 O ATOM 0 H GLU A 40 -8.839 4.098 -2.304 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.908 2.888 -0.811 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.952 4.280 -3.533 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.393 3.906 -2.608 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.345 5.205 -0.644 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.089 5.725 -1.750 1.00 0.00 H new ATOM 599 N GLN A 41 -10.387 1.441 -3.731 1.00 0.00 N ATOM 600 CA GLN A 41 -10.707 0.194 -4.481 1.00 0.00 C ATOM 601 C GLN A 41 -10.593 -1.017 -3.557 1.00 0.00 C ATOM 602 O GLN A 41 -11.521 -1.784 -3.405 1.00 0.00 O ATOM 603 CB GLN A 41 -9.733 0.031 -5.651 1.00 0.00 C ATOM 604 CG GLN A 41 -10.231 -1.077 -6.579 1.00 0.00 C ATOM 605 CD GLN A 41 -11.446 -0.587 -7.353 1.00 0.00 C ATOM 606 OE1 GLN A 41 -11.505 0.554 -7.766 1.00 0.00 O ATOM 607 NE2 GLN A 41 -12.429 -1.411 -7.566 1.00 0.00 N ATOM 0 H GLN A 41 -9.720 2.064 -4.186 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.727 0.263 -4.860 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.648 0.969 -6.200 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.738 -0.212 -5.278 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.440 -1.369 -7.270 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.490 -1.962 -5.998 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -12.376 -2.368 -7.218 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -13.253 -1.100 -8.081 1.00 0.00 H new ATOM 616 N CYS A 42 -9.455 -1.211 -2.956 1.00 0.00 N ATOM 617 CA CYS A 42 -9.276 -2.389 -2.063 1.00 0.00 C ATOM 618 C CYS A 42 -9.786 -2.090 -0.645 1.00 0.00 C ATOM 619 O CYS A 42 -10.189 -2.986 0.071 1.00 0.00 O ATOM 620 CB CYS A 42 -7.794 -2.754 -2.020 1.00 0.00 C ATOM 621 SG CYS A 42 -7.188 -2.983 -3.708 1.00 0.00 S ATOM 0 H CYS A 42 -8.639 -0.605 -3.044 1.00 0.00 H new ATOM 0 HA CYS A 42 -9.856 -3.224 -2.456 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -7.228 -1.967 -1.521 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -7.649 -3.667 -1.442 1.00 0.00 H new ATOM 626 N CYS A 43 -9.779 -0.851 -0.224 1.00 0.00 N ATOM 627 CA CYS A 43 -10.275 -0.534 1.154 1.00 0.00 C ATOM 628 C CYS A 43 -11.797 -0.402 1.129 1.00 0.00 C ATOM 629 O CYS A 43 -12.497 -1.028 1.901 1.00 0.00 O ATOM 630 CB CYS A 43 -9.662 0.779 1.661 1.00 0.00 C ATOM 631 SG CYS A 43 -10.292 1.120 3.326 1.00 0.00 S ATOM 0 H CYS A 43 -9.455 -0.051 -0.767 1.00 0.00 H new ATOM 0 HA CYS A 43 -9.981 -1.342 1.824 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -8.575 0.705 1.678 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -9.916 1.598 0.988 1.00 0.00 H new ATOM 636 N HIS A 44 -12.315 0.408 0.249 1.00 0.00 N ATOM 637 CA HIS A 44 -13.792 0.580 0.178 1.00 0.00 C ATOM 638 C HIS A 44 -14.414 -0.707 -0.373 1.00 0.00 C ATOM 639 O HIS A 44 -15.539 -1.045 -0.066 1.00 0.00 O ATOM 640 CB HIS A 44 -14.120 1.771 -0.744 1.00 0.00 C ATOM 641 CG HIS A 44 -15.411 2.428 -0.318 1.00 0.00 C ATOM 642 ND1 HIS A 44 -15.603 3.802 -0.404 1.00 0.00 N ATOM 643 CD2 HIS A 44 -16.578 1.920 0.201 1.00 0.00 C ATOM 644 CE1 HIS A 44 -16.841 4.069 0.052 1.00 0.00 C ATOM 645 NE2 HIS A 44 -17.472 2.958 0.430 1.00 0.00 N ATOM 0 H HIS A 44 -11.780 0.958 -0.423 1.00 0.00 H new ATOM 0 HA HIS A 44 -14.199 0.779 1.169 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -13.308 2.497 -0.713 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -14.202 1.428 -1.776 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -16.770 0.876 0.400 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -17.269 5.059 0.105 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -18.416 2.885 0.809 1.00 0.00 H new ATOM 653 N SER A 45 -13.683 -1.430 -1.186 1.00 0.00 N ATOM 654 CA SER A 45 -14.223 -2.703 -1.762 1.00 0.00 C ATOM 655 C SER A 45 -13.145 -3.790 -1.703 1.00 0.00 C ATOM 656 O SER A 45 -11.974 -3.516 -1.540 1.00 0.00 O ATOM 657 CB SER A 45 -14.656 -2.463 -3.217 1.00 0.00 C ATOM 658 OG SER A 45 -13.811 -1.484 -3.805 1.00 0.00 O ATOM 0 H SER A 45 -12.734 -1.194 -1.476 1.00 0.00 H new ATOM 0 HA SER A 45 -15.087 -3.030 -1.184 1.00 0.00 H new ATOM 0 HB2 SER A 45 -14.602 -3.393 -3.782 1.00 0.00 H new ATOM 0 HB3 SER A 45 -15.694 -2.131 -3.249 1.00 0.00 H new ATOM 0 HG SER A 45 -12.898 -1.836 -3.869 1.00 0.00 H new ATOM 664 N ILE A 46 -13.547 -5.024 -1.829 1.00 0.00 N ATOM 665 CA ILE A 46 -12.575 -6.150 -1.777 1.00 0.00 C ATOM 666 C ILE A 46 -11.950 -6.356 -3.161 1.00 0.00 C ATOM 667 O ILE A 46 -12.538 -6.969 -4.030 1.00 0.00 O ATOM 668 CB ILE A 46 -13.329 -7.417 -1.362 1.00 0.00 C ATOM 669 CG1 ILE A 46 -14.283 -7.098 -0.204 1.00 0.00 C ATOM 670 CG2 ILE A 46 -12.348 -8.496 -0.920 1.00 0.00 C ATOM 671 CD1 ILE A 46 -13.510 -6.465 0.958 1.00 0.00 C ATOM 0 H ILE A 46 -14.518 -5.303 -1.967 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.783 -5.930 -1.061 1.00 0.00 H new ATOM 0 HB ILE A 46 -13.898 -7.779 -2.218 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -15.065 -6.418 -0.544 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -14.777 -8.010 0.132 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -12.898 -9.390 -0.628 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -11.676 -8.736 -1.744 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -11.767 -8.134 -0.072 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -14.197 -6.243 1.774 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -12.745 -7.159 1.307 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -13.037 -5.543 0.621 1.00 0.00 H new ATOM 683 N CYS A 47 -10.760 -5.854 -3.374 1.00 0.00 N ATOM 684 CA CYS A 47 -10.098 -6.027 -4.704 1.00 0.00 C ATOM 685 C CYS A 47 -9.227 -7.286 -4.677 1.00 0.00 C ATOM 686 O CYS A 47 -8.654 -7.633 -3.663 1.00 0.00 O ATOM 687 CB CYS A 47 -9.230 -4.797 -5.013 1.00 0.00 C ATOM 688 SG CYS A 47 -7.652 -4.902 -4.127 1.00 0.00 S ATOM 0 H CYS A 47 -10.218 -5.332 -2.685 1.00 0.00 H new ATOM 0 HA CYS A 47 -10.857 -6.130 -5.479 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.049 -4.732 -6.086 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -9.758 -3.889 -4.723 1.00 0.00 H new ATOM 693 N SER A 48 -9.119 -7.970 -5.783 1.00 0.00 N ATOM 694 CA SER A 48 -8.280 -9.203 -5.820 1.00 0.00 C ATOM 695 C SER A 48 -6.811 -8.808 -6.006 1.00 0.00 C ATOM 696 O SER A 48 -6.495 -7.680 -6.326 1.00 0.00 O ATOM 697 CB SER A 48 -8.734 -10.105 -6.980 1.00 0.00 C ATOM 698 OG SER A 48 -10.111 -9.871 -7.242 1.00 0.00 O ATOM 0 H SER A 48 -9.575 -7.729 -6.663 1.00 0.00 H new ATOM 0 HA SER A 48 -8.391 -9.751 -4.884 1.00 0.00 H new ATOM 0 HB2 SER A 48 -8.142 -9.898 -7.871 1.00 0.00 H new ATOM 0 HB3 SER A 48 -8.573 -11.153 -6.727 1.00 0.00 H new ATOM 0 HG SER A 48 -10.405 -10.442 -7.982 1.00 0.00 H new ATOM 704 N LEU A 49 -5.916 -9.733 -5.814 1.00 0.00 N ATOM 705 CA LEU A 49 -4.471 -9.421 -5.987 1.00 0.00 C ATOM 706 C LEU A 49 -4.258 -8.892 -7.400 1.00 0.00 C ATOM 707 O LEU A 49 -3.435 -8.033 -7.646 1.00 0.00 O ATOM 708 CB LEU A 49 -3.639 -10.693 -5.790 1.00 0.00 C ATOM 709 CG LEU A 49 -4.021 -11.391 -4.473 1.00 0.00 C ATOM 710 CD1 LEU A 49 -2.955 -12.429 -4.112 1.00 0.00 C ATOM 711 CD2 LEU A 49 -4.097 -10.377 -3.334 1.00 0.00 C ATOM 0 H LEU A 49 -6.123 -10.695 -5.544 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.161 -8.677 -5.253 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.799 -11.372 -6.628 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.578 -10.442 -5.781 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.992 -11.868 -4.610 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.228 -12.922 -3.179 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.886 -13.171 -4.907 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.991 -11.934 -3.992 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.368 -10.887 -2.410 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.127 -9.895 -3.211 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.850 -9.624 -3.567 1.00 0.00 H new ATOM 723 N TYR A 50 -5.013 -9.406 -8.325 1.00 0.00 N ATOM 724 CA TYR A 50 -4.911 -8.971 -9.731 1.00 0.00 C ATOM 725 C TYR A 50 -4.806 -7.454 -9.804 1.00 0.00 C ATOM 726 O TYR A 50 -3.873 -6.901 -10.352 1.00 0.00 O ATOM 727 CB TYR A 50 -6.189 -9.429 -10.434 1.00 0.00 C ATOM 728 CG TYR A 50 -5.931 -9.578 -11.893 1.00 0.00 C ATOM 729 CD1 TYR A 50 -5.360 -10.751 -12.353 1.00 0.00 C ATOM 730 CD2 TYR A 50 -6.263 -8.551 -12.771 1.00 0.00 C ATOM 731 CE1 TYR A 50 -5.109 -10.917 -13.718 1.00 0.00 C ATOM 732 CE2 TYR A 50 -6.019 -8.704 -14.139 1.00 0.00 C ATOM 733 CZ TYR A 50 -5.441 -9.891 -14.616 1.00 0.00 C ATOM 734 OH TYR A 50 -5.198 -10.048 -15.966 1.00 0.00 O ATOM 0 H TYR A 50 -5.713 -10.128 -8.155 1.00 0.00 H new ATOM 0 HA TYR A 50 -4.025 -9.397 -10.203 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -6.526 -10.377 -10.015 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -6.987 -8.705 -10.268 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -5.108 -11.538 -11.658 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -6.707 -7.640 -12.398 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -4.662 -11.831 -14.080 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.274 -7.911 -14.827 1.00 0.00 H new ATOM 0 HH TYR A 50 -5.488 -9.244 -16.446 1.00 0.00 H new ATOM 744 N GLN A 51 -5.769 -6.786 -9.256 1.00 0.00 N ATOM 745 CA GLN A 51 -5.752 -5.300 -9.286 1.00 0.00 C ATOM 746 C GLN A 51 -4.505 -4.807 -8.571 1.00 0.00 C ATOM 747 O GLN A 51 -3.837 -3.897 -9.020 1.00 0.00 O ATOM 748 CB GLN A 51 -6.998 -4.758 -8.591 1.00 0.00 C ATOM 749 CG GLN A 51 -8.222 -5.554 -9.056 1.00 0.00 C ATOM 750 CD GLN A 51 -9.497 -4.800 -8.687 1.00 0.00 C ATOM 751 OE1 GLN A 51 -10.330 -5.303 -7.959 1.00 0.00 O ATOM 752 NE2 GLN A 51 -9.685 -3.607 -9.169 1.00 0.00 N ATOM 0 H GLN A 51 -6.573 -7.202 -8.785 1.00 0.00 H new ATOM 0 HA GLN A 51 -5.744 -4.951 -10.318 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -6.888 -4.836 -7.509 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -7.127 -3.701 -8.823 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -8.179 -5.709 -10.134 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -8.224 -6.540 -8.592 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -8.984 -3.187 -9.780 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -10.533 -3.091 -8.936 1.00 0.00 H new ATOM 761 N LEU A 52 -4.173 -5.409 -7.468 1.00 0.00 N ATOM 762 CA LEU A 52 -2.957 -4.978 -6.744 1.00 0.00 C ATOM 763 C LEU A 52 -1.758 -5.225 -7.649 1.00 0.00 C ATOM 764 O LEU A 52 -0.754 -4.544 -7.584 1.00 0.00 O ATOM 765 CB LEU A 52 -2.816 -5.781 -5.457 1.00 0.00 C ATOM 766 CG LEU A 52 -3.987 -5.464 -4.515 1.00 0.00 C ATOM 767 CD1 LEU A 52 -3.793 -6.245 -3.229 1.00 0.00 C ATOM 768 CD2 LEU A 52 -4.035 -3.961 -4.189 1.00 0.00 C ATOM 0 H LEU A 52 -4.690 -6.177 -7.040 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.020 -3.921 -6.486 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.797 -6.847 -5.683 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.871 -5.542 -4.970 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.922 -5.742 -5.001 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.616 -6.032 -2.547 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.772 -7.312 -3.451 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.851 -5.952 -2.764 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.872 -3.760 -3.521 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.105 -3.664 -3.705 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.162 -3.393 -5.110 1.00 0.00 H new ATOM 780 N GLU A 53 -1.876 -6.194 -8.506 1.00 0.00 N ATOM 781 CA GLU A 53 -0.775 -6.511 -9.450 1.00 0.00 C ATOM 782 C GLU A 53 -0.753 -5.426 -10.531 1.00 0.00 C ATOM 783 O GLU A 53 0.142 -5.355 -11.349 1.00 0.00 O ATOM 784 CB GLU A 53 -1.042 -7.913 -10.058 1.00 0.00 C ATOM 785 CG GLU A 53 0.221 -8.787 -10.027 1.00 0.00 C ATOM 786 CD GLU A 53 1.220 -8.288 -11.073 1.00 0.00 C ATOM 787 OE1 GLU A 53 0.830 -8.162 -12.222 1.00 0.00 O ATOM 788 OE2 GLU A 53 2.357 -8.042 -10.708 1.00 0.00 O ATOM 0 H GLU A 53 -2.700 -6.788 -8.594 1.00 0.00 H new ATOM 0 HA GLU A 53 0.195 -6.531 -8.952 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.841 -8.406 -9.504 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.387 -7.806 -11.086 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.672 -8.756 -9.035 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.040 -9.827 -10.226 1.00 0.00 H new ATOM 795 N ASN A 54 -1.751 -4.589 -10.529 1.00 0.00 N ATOM 796 CA ASN A 54 -1.836 -3.500 -11.538 1.00 0.00 C ATOM 797 C ASN A 54 -0.907 -2.348 -11.143 1.00 0.00 C ATOM 798 O ASN A 54 -0.449 -1.596 -11.981 1.00 0.00 O ATOM 799 CB ASN A 54 -3.291 -3.002 -11.593 1.00 0.00 C ATOM 800 CG ASN A 54 -3.583 -2.359 -12.950 1.00 0.00 C ATOM 801 OD1 ASN A 54 -2.678 -1.979 -13.666 1.00 0.00 O ATOM 802 ND2 ASN A 54 -4.823 -2.223 -13.332 1.00 0.00 N ATOM 0 H ASN A 54 -2.522 -4.614 -9.861 1.00 0.00 H new ATOM 0 HA ASN A 54 -1.530 -3.873 -12.516 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -3.974 -3.835 -11.423 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -3.465 -2.279 -10.796 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -5.035 -1.797 -14.234 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -5.581 -2.543 -12.729 1.00 0.00 H new ATOM 809 N TYR A 55 -0.639 -2.192 -9.872 1.00 0.00 N ATOM 810 CA TYR A 55 0.247 -1.077 -9.414 1.00 0.00 C ATOM 811 C TYR A 55 1.661 -1.597 -9.142 1.00 0.00 C ATOM 812 O TYR A 55 2.513 -0.871 -8.669 1.00 0.00 O ATOM 813 CB TYR A 55 -0.338 -0.478 -8.135 1.00 0.00 C ATOM 814 CG TYR A 55 -1.817 -0.280 -8.325 1.00 0.00 C ATOM 815 CD1 TYR A 55 -2.690 -1.328 -8.051 1.00 0.00 C ATOM 816 CD2 TYR A 55 -2.307 0.942 -8.784 1.00 0.00 C ATOM 817 CE1 TYR A 55 -4.072 -1.161 -8.232 1.00 0.00 C ATOM 818 CE2 TYR A 55 -3.684 1.116 -8.969 1.00 0.00 C ATOM 819 CZ TYR A 55 -4.567 0.064 -8.692 1.00 0.00 C ATOM 820 OH TYR A 55 -5.924 0.235 -8.875 1.00 0.00 O ATOM 0 H TYR A 55 -0.997 -2.791 -9.128 1.00 0.00 H new ATOM 0 HA TYR A 55 0.303 -0.316 -10.192 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.151 -1.139 -7.289 1.00 0.00 H new ATOM 0 HB3 TYR A 55 0.144 0.473 -7.909 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.303 -2.273 -7.698 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.626 1.753 -8.996 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -4.750 -1.974 -8.017 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -4.066 2.061 -9.325 1.00 0.00 H new ATOM 0 HH TYR A 55 -6.292 0.753 -8.129 1.00 0.00 H new ATOM 830 N CYS A 56 1.930 -2.842 -9.438 1.00 0.00 N ATOM 831 CA CYS A 56 3.301 -3.379 -9.193 1.00 0.00 C ATOM 832 C CYS A 56 4.213 -3.001 -10.362 1.00 0.00 C ATOM 833 O CYS A 56 4.061 -3.491 -11.463 1.00 0.00 O ATOM 834 CB CYS A 56 3.247 -4.899 -9.062 1.00 0.00 C ATOM 835 SG CYS A 56 2.221 -5.349 -7.643 1.00 0.00 S ATOM 0 H CYS A 56 1.265 -3.506 -9.836 1.00 0.00 H new ATOM 0 HA CYS A 56 3.693 -2.953 -8.270 1.00 0.00 H new ATOM 0 HB2 CYS A 56 2.839 -5.338 -9.972 1.00 0.00 H new ATOM 0 HB3 CYS A 56 4.253 -5.299 -8.938 1.00 0.00 H new ATOM 840 N ASN A 57 5.160 -2.134 -10.128 1.00 0.00 N ATOM 841 CA ASN A 57 6.088 -1.717 -11.218 1.00 0.00 C ATOM 842 C ASN A 57 5.292 -1.419 -12.492 1.00 0.00 C ATOM 843 O ASN A 57 5.817 -1.663 -13.566 1.00 0.00 O ATOM 844 CB ASN A 57 7.087 -2.842 -11.491 1.00 0.00 C ATOM 845 CG ASN A 57 8.161 -2.348 -12.462 1.00 0.00 C ATOM 846 OD1 ASN A 57 8.074 -1.250 -12.975 1.00 0.00 O ATOM 847 ND2 ASN A 57 9.180 -3.116 -12.738 1.00 0.00 N ATOM 848 OXT ASN A 57 4.171 -0.953 -12.370 1.00 0.00 O ATOM 0 H ASN A 57 5.332 -1.694 -9.224 1.00 0.00 H new ATOM 0 HA ASN A 57 6.623 -0.818 -10.912 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.547 -3.168 -10.558 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.572 -3.706 -11.911 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.901 -2.794 -13.383 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.255 -4.038 -12.308 1.00 0.00 H new