USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 366 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 44 GLN : amide:sc= -0.0397 K(o=0.19,f=-3.8!) USER MOD Set 1.2: A 48 TYR OH : rot 87:sc= 0.23 USER MOD Single : A 1 PHE N :NH3+ -166:sc= 0.916 (180deg=0.0957) USER MOD Single : A 3 ASN : amide:sc= -0.0232 X(o=-0.023,f=-0.02) USER MOD Single : A 4 GLN : amide:sc=-0.00292 K(o=-0.0029,f=-1.5!) USER MOD Single : A 5 HIS : no HD1:sc= -0.237 X(o=-0.24,f=-0.14) 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 60:sc= -5.3! USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0663 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -1.23 K(o=-1.2,f=-2.5!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 95:sc= 0.669 USER MOD Single : A 41 SER OG : rot 180:sc= 0.058! USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.527 K(o=-0.53,f=-1.2) USER MOD Single : A 50 ASN : amide:sc= -0.242 K(o=-0.24,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 10.662 2.110 -2.643 1.00 0.00 N ATOM 2 CA PHE A 1 10.697 1.738 -4.085 1.00 0.00 C ATOM 3 C PHE A 1 10.035 2.841 -4.916 1.00 0.00 C ATOM 4 O PHE A 1 9.967 2.764 -6.127 1.00 0.00 O ATOM 5 CB PHE A 1 9.943 0.421 -4.283 1.00 0.00 C ATOM 6 CG PHE A 1 8.613 0.494 -3.571 1.00 0.00 C ATOM 7 CD1 PHE A 1 8.533 0.204 -2.202 1.00 0.00 C ATOM 8 CD2 PHE A 1 7.459 0.853 -4.280 1.00 0.00 C ATOM 9 CE1 PHE A 1 7.298 0.272 -1.542 1.00 0.00 C ATOM 10 CE2 PHE A 1 6.226 0.923 -3.619 1.00 0.00 C ATOM 11 CZ PHE A 1 6.146 0.632 -2.252 1.00 0.00 C ATOM 0 H1 PHE A 1 11.308 1.494 -2.110 1.00 0.00 H new ATOM 0 H2 PHE A 1 10.959 3.101 -2.533 1.00 0.00 H new ATOM 0 H3 PHE A 1 9.695 1.996 -2.278 1.00 0.00 H new ATOM 0 HA PHE A 1 11.731 1.619 -4.408 1.00 0.00 H new ATOM 0 HB2 PHE A 1 9.790 0.233 -5.346 1.00 0.00 H new ATOM 0 HB3 PHE A 1 10.531 -0.410 -3.894 1.00 0.00 H new ATOM 0 HD1 PHE A 1 9.423 -0.072 -1.656 1.00 0.00 H new ATOM 0 HD2 PHE A 1 7.520 1.076 -5.335 1.00 0.00 H new ATOM 0 HE1 PHE A 1 7.235 0.047 -0.488 1.00 0.00 H new ATOM 0 HE2 PHE A 1 5.336 1.202 -4.164 1.00 0.00 H new ATOM 0 HZ PHE A 1 5.194 0.685 -1.744 1.00 0.00 H new ATOM 23 N VAL A 2 9.545 3.869 -4.276 1.00 0.00 N ATOM 24 CA VAL A 2 8.889 4.977 -5.029 1.00 0.00 C ATOM 25 C VAL A 2 9.186 6.303 -4.337 1.00 0.00 C ATOM 26 O VAL A 2 9.525 7.286 -4.965 1.00 0.00 O ATOM 27 CB VAL A 2 7.378 4.746 -5.068 1.00 0.00 C ATOM 28 CG1 VAL A 2 7.058 3.631 -6.064 1.00 0.00 C ATOM 29 CG2 VAL A 2 6.885 4.342 -3.676 1.00 0.00 C ATOM 0 H VAL A 2 9.571 3.989 -3.263 1.00 0.00 H new ATOM 0 HA VAL A 2 9.275 5.004 -6.048 1.00 0.00 H new ATOM 0 HB VAL A 2 6.880 5.665 -5.377 1.00 0.00 H new ATOM 0 HG11 VAL A 2 5.981 3.466 -6.092 1.00 0.00 H new ATOM 0 HG12 VAL A 2 7.407 3.918 -7.056 1.00 0.00 H new ATOM 0 HG13 VAL A 2 7.558 2.713 -5.755 1.00 0.00 H new ATOM 0 HG21 VAL A 2 5.808 4.178 -3.705 1.00 0.00 H new ATOM 0 HG22 VAL A 2 7.384 3.424 -3.366 1.00 0.00 H new ATOM 0 HG23 VAL A 2 7.112 5.136 -2.965 1.00 0.00 H new ATOM 39 N ASN A 3 9.061 6.333 -3.046 1.00 0.00 N ATOM 40 CA ASN A 3 9.336 7.587 -2.293 1.00 0.00 C ATOM 41 C ASN A 3 8.408 8.703 -2.784 1.00 0.00 C ATOM 42 O ASN A 3 8.733 9.870 -2.696 1.00 0.00 O ATOM 43 CB ASN A 3 10.790 8.010 -2.516 1.00 0.00 C ATOM 44 CG ASN A 3 11.717 6.816 -2.280 1.00 0.00 C ATOM 45 OD1 ASN A 3 12.559 6.514 -3.102 1.00 0.00 O ATOM 46 ND2 ASN A 3 11.596 6.115 -1.185 1.00 0.00 N ATOM 0 H ASN A 3 8.778 5.538 -2.472 1.00 0.00 H new ATOM 0 HA ASN A 3 9.162 7.410 -1.232 1.00 0.00 H new ATOM 0 HB2 ASN A 3 10.918 8.387 -3.531 1.00 0.00 H new ATOM 0 HB3 ASN A 3 11.050 8.824 -1.839 1.00 0.00 H new ATOM 0 HD21 ASN A 3 12.208 5.316 -1.021 1.00 0.00 H new ATOM 0 HD22 ASN A 3 10.890 6.367 -0.494 1.00 0.00 H new ATOM 53 N GLN A 4 7.257 8.364 -3.301 1.00 0.00 N ATOM 54 CA GLN A 4 6.329 9.425 -3.789 1.00 0.00 C ATOM 55 C GLN A 4 4.879 8.942 -3.700 1.00 0.00 C ATOM 56 O GLN A 4 4.586 7.925 -3.101 1.00 0.00 O ATOM 57 CB GLN A 4 6.663 9.776 -5.240 1.00 0.00 C ATOM 58 CG GLN A 4 6.332 8.591 -6.149 1.00 0.00 C ATOM 59 CD GLN A 4 6.758 8.918 -7.582 1.00 0.00 C ATOM 60 OE1 GLN A 4 7.579 9.788 -7.799 1.00 0.00 O ATOM 61 NE2 GLN A 4 6.233 8.256 -8.575 1.00 0.00 N ATOM 0 H GLN A 4 6.921 7.407 -3.406 1.00 0.00 H new ATOM 0 HA GLN A 4 6.447 10.310 -3.164 1.00 0.00 H new ATOM 0 HB2 GLN A 4 6.097 10.654 -5.551 1.00 0.00 H new ATOM 0 HB3 GLN A 4 7.719 10.030 -5.328 1.00 0.00 H new ATOM 0 HG2 GLN A 4 6.846 7.696 -5.800 1.00 0.00 H new ATOM 0 HG3 GLN A 4 5.263 8.379 -6.115 1.00 0.00 H new ATOM 0 HE21 GLN A 4 5.544 7.526 -8.394 1.00 0.00 H new ATOM 0 HE22 GLN A 4 6.511 8.468 -9.533 1.00 0.00 H new ATOM 70 N HIS A 5 3.969 9.673 -4.286 1.00 0.00 N ATOM 71 CA HIS A 5 2.535 9.274 -4.232 1.00 0.00 C ATOM 72 C HIS A 5 2.367 7.846 -4.752 1.00 0.00 C ATOM 73 O HIS A 5 3.273 7.265 -5.316 1.00 0.00 O ATOM 74 CB HIS A 5 1.708 10.225 -5.099 1.00 0.00 C ATOM 75 CG HIS A 5 2.011 11.648 -4.719 1.00 0.00 C ATOM 76 ND1 HIS A 5 1.980 12.663 -5.650 1.00 0.00 N ATOM 77 CD2 HIS A 5 2.347 12.206 -3.516 1.00 0.00 C ATOM 78 CE1 HIS A 5 2.292 13.793 -4.999 1.00 0.00 C ATOM 79 NE2 HIS A 5 2.525 13.563 -3.690 1.00 0.00 N ATOM 0 H HIS A 5 4.159 10.532 -4.801 1.00 0.00 H new ATOM 0 HA HIS A 5 2.193 9.323 -3.198 1.00 0.00 H new ATOM 0 HB2 HIS A 5 1.936 10.063 -6.153 1.00 0.00 H new ATOM 0 HB3 HIS A 5 0.645 10.021 -4.968 1.00 0.00 H new ATOM 0 HD2 HIS A 5 2.455 11.672 -2.583 1.00 0.00 H new ATOM 0 HE1 HIS A 5 2.350 14.766 -5.464 1.00 0.00 H new ATOM 0 HE2 HIS A 5 2.779 14.248 -2.979 1.00 0.00 H new ATOM 87 N LEU A 6 1.205 7.285 -4.568 1.00 0.00 N ATOM 88 CA LEU A 6 0.947 5.898 -5.045 1.00 0.00 C ATOM 89 C LEU A 6 -0.474 5.829 -5.594 1.00 0.00 C ATOM 90 O LEU A 6 -0.720 5.346 -6.683 1.00 0.00 O ATOM 91 CB LEU A 6 1.072 4.923 -3.871 1.00 0.00 C ATOM 92 CG LEU A 6 2.175 3.897 -4.140 1.00 0.00 C ATOM 93 CD1 LEU A 6 2.069 3.383 -5.575 1.00 0.00 C ATOM 94 CD2 LEU A 6 3.541 4.551 -3.932 1.00 0.00 C ATOM 0 H LEU A 6 0.415 7.733 -4.103 1.00 0.00 H new ATOM 0 HA LEU A 6 1.667 5.633 -5.819 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.294 5.473 -2.956 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.122 4.412 -3.713 1.00 0.00 H new ATOM 0 HG LEU A 6 2.061 3.060 -3.451 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.857 2.653 -5.759 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.097 2.912 -5.722 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.177 4.217 -6.269 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.327 3.821 -4.123 1.00 0.00 H new ATOM 0 HD22 LEU A 6 3.651 5.391 -4.618 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.621 4.909 -2.906 1.00 0.00 H new ATOM 106 N CYS A 7 -1.407 6.314 -4.834 1.00 0.00 N ATOM 107 CA CYS A 7 -2.829 6.300 -5.273 1.00 0.00 C ATOM 108 C CYS A 7 -3.302 4.858 -5.469 1.00 0.00 C ATOM 109 O CYS A 7 -2.603 4.042 -6.034 1.00 0.00 O ATOM 110 CB CYS A 7 -2.965 7.071 -6.586 1.00 0.00 C ATOM 111 SG CYS A 7 -4.361 8.218 -6.464 1.00 0.00 S ATOM 0 H CYS A 7 -1.246 6.726 -3.915 1.00 0.00 H new ATOM 0 HA CYS A 7 -3.445 6.774 -4.508 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.046 7.619 -6.796 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.120 6.379 -7.413 1.00 0.00 H new ATOM 116 N GLY A 8 -4.485 4.557 -4.988 1.00 0.00 N ATOM 117 CA GLY A 8 -5.061 3.180 -5.110 1.00 0.00 C ATOM 118 C GLY A 8 -4.481 2.444 -6.321 1.00 0.00 C ATOM 119 O GLY A 8 -3.987 1.340 -6.208 1.00 0.00 O ATOM 0 H GLY A 8 -5.088 5.223 -4.505 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -4.852 2.614 -4.202 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.145 3.243 -5.204 1.00 0.00 H new ATOM 123 N SER A 9 -4.539 3.039 -7.479 1.00 0.00 N ATOM 124 CA SER A 9 -3.994 2.359 -8.688 1.00 0.00 C ATOM 125 C SER A 9 -2.630 1.747 -8.365 1.00 0.00 C ATOM 126 O SER A 9 -2.486 0.544 -8.272 1.00 0.00 O ATOM 127 CB SER A 9 -3.842 3.370 -9.826 1.00 0.00 C ATOM 128 OG SER A 9 -2.916 2.867 -10.781 1.00 0.00 O ATOM 0 H SER A 9 -4.938 3.963 -7.641 1.00 0.00 H new ATOM 0 HA SER A 9 -4.682 1.571 -8.994 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.807 3.551 -10.299 1.00 0.00 H new ATOM 0 HB3 SER A 9 -3.495 4.326 -9.434 1.00 0.00 H new ATOM 0 HG SER A 9 -2.818 3.512 -11.512 1.00 0.00 H new ATOM 134 N ASP A 10 -1.625 2.560 -8.193 1.00 0.00 N ATOM 135 CA ASP A 10 -0.277 2.012 -7.881 1.00 0.00 C ATOM 136 C ASP A 10 -0.196 1.670 -6.392 1.00 0.00 C ATOM 137 O ASP A 10 0.682 0.952 -5.957 1.00 0.00 O ATOM 138 CB ASP A 10 0.788 3.052 -8.233 1.00 0.00 C ATOM 139 CG ASP A 10 0.943 3.122 -9.752 1.00 0.00 C ATOM 140 OD1 ASP A 10 0.750 2.102 -10.394 1.00 0.00 O ATOM 141 OD2 ASP A 10 1.250 4.193 -10.249 1.00 0.00 O ATOM 0 H ASP A 10 -1.679 3.577 -8.255 1.00 0.00 H new ATOM 0 HA ASP A 10 -0.105 1.108 -8.466 1.00 0.00 H new ATOM 0 HB2 ASP A 10 0.504 4.028 -7.840 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.739 2.787 -7.771 1.00 0.00 H new ATOM 146 N LEU A 11 -1.106 2.175 -5.607 1.00 0.00 N ATOM 147 CA LEU A 11 -1.079 1.876 -4.149 1.00 0.00 C ATOM 148 C LEU A 11 -1.305 0.375 -3.934 1.00 0.00 C ATOM 149 O LEU A 11 -0.653 -0.246 -3.116 1.00 0.00 O ATOM 150 CB LEU A 11 -2.189 2.676 -3.455 1.00 0.00 C ATOM 151 CG LEU A 11 -2.006 2.642 -1.937 1.00 0.00 C ATOM 152 CD1 LEU A 11 -2.255 1.228 -1.423 1.00 0.00 C ATOM 153 CD2 LEU A 11 -0.585 3.076 -1.570 1.00 0.00 C ATOM 0 H LEU A 11 -1.867 2.782 -5.912 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.113 2.155 -3.729 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.175 3.708 -3.806 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.162 2.263 -3.719 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.718 3.328 -1.478 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.124 1.206 -0.341 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.272 0.924 -1.672 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.547 0.542 -1.888 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.464 3.049 -0.487 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.133 2.399 -2.032 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.410 4.090 -1.929 1.00 0.00 H new ATOM 165 N VAL A 12 -2.217 -0.219 -4.663 1.00 0.00 N ATOM 166 CA VAL A 12 -2.464 -1.678 -4.486 1.00 0.00 C ATOM 167 C VAL A 12 -1.619 -2.470 -5.490 1.00 0.00 C ATOM 168 O VAL A 12 -1.107 -3.528 -5.182 1.00 0.00 O ATOM 169 CB VAL A 12 -3.956 -1.982 -4.678 1.00 0.00 C ATOM 170 CG1 VAL A 12 -4.784 -0.855 -4.069 1.00 0.00 C ATOM 171 CG2 VAL A 12 -4.290 -2.103 -6.165 1.00 0.00 C ATOM 0 H VAL A 12 -2.795 0.241 -5.366 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.178 -1.975 -3.477 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.188 -2.926 -4.185 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.844 -1.069 -4.204 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.563 -0.775 -3.005 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.538 0.085 -4.562 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.352 -2.319 -6.283 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.052 -1.166 -6.669 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.705 -2.911 -6.605 1.00 0.00 H new ATOM 181 N GLU A 13 -1.457 -1.966 -6.685 1.00 0.00 N ATOM 182 CA GLU A 13 -0.628 -2.696 -7.688 1.00 0.00 C ATOM 183 C GLU A 13 0.753 -2.947 -7.082 1.00 0.00 C ATOM 184 O GLU A 13 1.385 -3.954 -7.332 1.00 0.00 O ATOM 185 CB GLU A 13 -0.490 -1.853 -8.958 1.00 0.00 C ATOM 186 CG GLU A 13 -0.426 -2.777 -10.176 1.00 0.00 C ATOM 187 CD GLU A 13 -0.869 -2.013 -11.424 1.00 0.00 C ATOM 188 OE1 GLU A 13 -0.886 -0.794 -11.372 1.00 0.00 O ATOM 189 OE2 GLU A 13 -1.184 -2.658 -12.411 1.00 0.00 O ATOM 0 H GLU A 13 -1.860 -1.086 -7.008 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.101 -3.643 -7.946 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.336 -1.171 -9.049 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.410 -1.240 -8.905 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.589 -3.151 -10.308 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -1.068 -3.644 -10.021 1.00 0.00 H new ATOM 196 N ALA A 14 1.208 -2.042 -6.260 1.00 0.00 N ATOM 197 CA ALA A 14 2.524 -2.215 -5.598 1.00 0.00 C ATOM 198 C ALA A 14 2.317 -3.158 -4.423 1.00 0.00 C ATOM 199 O ALA A 14 2.997 -4.147 -4.298 1.00 0.00 O ATOM 200 CB ALA A 14 3.042 -0.862 -5.105 1.00 0.00 C ATOM 0 H ALA A 14 0.716 -1.182 -6.019 1.00 0.00 H new ATOM 0 HA ALA A 14 3.258 -2.623 -6.293 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.009 -0.997 -4.620 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.152 -0.184 -5.952 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.334 -0.439 -4.392 1.00 0.00 H new ATOM 206 N LEU A 15 1.349 -2.880 -3.578 1.00 0.00 N ATOM 207 CA LEU A 15 1.066 -3.798 -2.441 1.00 0.00 C ATOM 208 C LEU A 15 1.122 -5.220 -2.989 1.00 0.00 C ATOM 209 O LEU A 15 1.497 -6.158 -2.315 1.00 0.00 O ATOM 210 CB LEU A 15 -0.332 -3.511 -1.890 1.00 0.00 C ATOM 211 CG LEU A 15 -0.217 -2.912 -0.489 1.00 0.00 C ATOM 212 CD1 LEU A 15 -1.453 -2.061 -0.195 1.00 0.00 C ATOM 213 CD2 LEU A 15 -0.120 -4.043 0.536 1.00 0.00 C ATOM 0 H LEU A 15 0.748 -2.058 -3.632 1.00 0.00 H new ATOM 0 HA LEU A 15 1.790 -3.663 -1.637 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.859 -2.821 -2.549 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.917 -4.430 -1.857 1.00 0.00 H new ATOM 0 HG LEU A 15 0.674 -2.287 -0.430 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.371 -1.634 0.804 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.525 -1.258 -0.928 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.346 -2.684 -0.251 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.038 -3.620 1.537 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.013 -4.665 0.477 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.760 -4.651 0.325 1.00 0.00 H new ATOM 225 N TYR A 16 0.786 -5.362 -4.245 1.00 0.00 N ATOM 226 CA TYR A 16 0.857 -6.689 -4.898 1.00 0.00 C ATOM 227 C TYR A 16 2.340 -7.045 -5.008 1.00 0.00 C ATOM 228 O TYR A 16 2.781 -8.082 -4.551 1.00 0.00 O ATOM 229 CB TYR A 16 0.208 -6.594 -6.294 1.00 0.00 C ATOM 230 CG TYR A 16 0.949 -7.459 -7.288 1.00 0.00 C ATOM 231 CD1 TYR A 16 0.829 -8.851 -7.228 1.00 0.00 C ATOM 232 CD2 TYR A 16 1.757 -6.865 -8.267 1.00 0.00 C ATOM 233 CE1 TYR A 16 1.518 -9.656 -8.147 1.00 0.00 C ATOM 234 CE2 TYR A 16 2.448 -7.667 -9.186 1.00 0.00 C ATOM 235 CZ TYR A 16 2.326 -9.063 -9.126 1.00 0.00 C ATOM 236 OH TYR A 16 3.006 -9.854 -10.031 1.00 0.00 O ATOM 0 H TYR A 16 0.463 -4.604 -4.846 1.00 0.00 H new ATOM 0 HA TYR A 16 0.327 -7.455 -4.332 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -0.834 -6.907 -6.238 1.00 0.00 H new ATOM 0 HB3 TYR A 16 0.212 -5.558 -6.632 1.00 0.00 H new ATOM 0 HD1 TYR A 16 0.205 -9.307 -6.473 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.847 -5.790 -8.313 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.426 -10.731 -8.100 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.073 -7.211 -9.939 1.00 0.00 H new ATOM 0 HH TYR A 16 3.519 -9.285 -10.642 1.00 0.00 H new ATOM 246 N LEU A 17 3.118 -6.165 -5.581 1.00 0.00 N ATOM 247 CA LEU A 17 4.581 -6.431 -5.689 1.00 0.00 C ATOM 248 C LEU A 17 5.190 -6.356 -4.284 1.00 0.00 C ATOM 249 O LEU A 17 6.276 -6.835 -4.028 1.00 0.00 O ATOM 250 CB LEU A 17 5.225 -5.369 -6.585 1.00 0.00 C ATOM 251 CG LEU A 17 6.029 -6.049 -7.696 1.00 0.00 C ATOM 252 CD1 LEU A 17 6.985 -7.074 -7.086 1.00 0.00 C ATOM 253 CD2 LEU A 17 5.075 -6.756 -8.659 1.00 0.00 C ATOM 0 H LEU A 17 2.805 -5.278 -5.977 1.00 0.00 H new ATOM 0 HA LEU A 17 4.756 -7.416 -6.121 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.456 -4.730 -7.019 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.876 -4.726 -5.993 1.00 0.00 H new ATOM 0 HG LEU A 17 6.602 -5.296 -8.237 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.556 -7.556 -7.879 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.668 -6.572 -6.401 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.413 -7.826 -6.542 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.649 -7.240 -9.450 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.500 -7.507 -8.116 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.395 -6.026 -9.099 1.00 0.00 H new ATOM 265 N VAL A 18 4.478 -5.748 -3.377 1.00 0.00 N ATOM 266 CA VAL A 18 4.964 -5.608 -1.978 1.00 0.00 C ATOM 267 C VAL A 18 4.981 -6.969 -1.301 1.00 0.00 C ATOM 268 O VAL A 18 5.914 -7.331 -0.614 1.00 0.00 O ATOM 269 CB VAL A 18 3.995 -4.695 -1.230 1.00 0.00 C ATOM 270 CG1 VAL A 18 4.250 -4.763 0.269 1.00 0.00 C ATOM 271 CG2 VAL A 18 4.182 -3.261 -1.702 1.00 0.00 C ATOM 0 H VAL A 18 3.562 -5.335 -3.551 1.00 0.00 H new ATOM 0 HA VAL A 18 5.972 -5.193 -1.972 1.00 0.00 H new ATOM 0 HB VAL A 18 2.976 -5.025 -1.433 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.551 -4.107 0.787 1.00 0.00 H new ATOM 0 HG12 VAL A 18 4.111 -5.787 0.616 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.271 -4.444 0.479 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.490 -2.609 -1.168 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.206 -2.943 -1.504 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.984 -3.201 -2.772 1.00 0.00 H new ATOM 281 N CYS A 19 3.938 -7.713 -1.480 1.00 0.00 N ATOM 282 CA CYS A 19 3.854 -9.056 -0.840 1.00 0.00 C ATOM 283 C CYS A 19 4.629 -10.075 -1.667 1.00 0.00 C ATOM 284 O CYS A 19 5.624 -10.616 -1.228 1.00 0.00 O ATOM 285 CB CYS A 19 2.390 -9.486 -0.747 1.00 0.00 C ATOM 286 SG CYS A 19 2.005 -9.923 0.964 1.00 0.00 S ATOM 0 H CYS A 19 3.130 -7.453 -2.045 1.00 0.00 H new ATOM 0 HA CYS A 19 4.285 -9.003 0.160 1.00 0.00 H new ATOM 0 HB2 CYS A 19 1.740 -8.679 -1.084 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.207 -10.337 -1.402 1.00 0.00 H new ATOM 291 N GLY A 20 4.184 -10.345 -2.860 1.00 0.00 N ATOM 292 CA GLY A 20 4.904 -11.335 -3.706 1.00 0.00 C ATOM 293 C GLY A 20 3.928 -12.022 -4.662 1.00 0.00 C ATOM 294 O GLY A 20 4.044 -11.906 -5.866 1.00 0.00 O ATOM 0 H GLY A 20 3.357 -9.926 -3.285 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.690 -10.836 -4.273 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.390 -12.079 -3.074 1.00 0.00 H new ATOM 298 N GLU A 21 2.974 -12.752 -4.147 1.00 0.00 N ATOM 299 CA GLU A 21 2.018 -13.448 -5.054 1.00 0.00 C ATOM 300 C GLU A 21 0.736 -13.828 -4.304 1.00 0.00 C ATOM 301 O GLU A 21 -0.015 -14.677 -4.746 1.00 0.00 O ATOM 302 CB GLU A 21 2.680 -14.715 -5.599 1.00 0.00 C ATOM 303 CG GLU A 21 2.069 -15.069 -6.955 1.00 0.00 C ATOM 304 CD GLU A 21 2.671 -14.171 -8.038 1.00 0.00 C ATOM 305 OE1 GLU A 21 3.881 -14.021 -8.048 1.00 0.00 O ATOM 306 OE2 GLU A 21 1.911 -13.649 -8.836 1.00 0.00 O ATOM 0 H GLU A 21 2.817 -12.895 -3.149 1.00 0.00 H new ATOM 0 HA GLU A 21 1.756 -12.777 -5.872 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.754 -14.561 -5.702 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.542 -15.540 -4.900 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.260 -16.116 -7.189 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.987 -14.942 -6.922 1.00 0.00 H new ATOM 313 N ARG A 22 0.461 -13.212 -3.184 1.00 0.00 N ATOM 314 CA ARG A 22 -0.786 -13.557 -2.448 1.00 0.00 C ATOM 315 C ARG A 22 -1.697 -12.333 -2.432 1.00 0.00 C ATOM 316 O ARG A 22 -2.464 -12.128 -1.513 1.00 0.00 O ATOM 317 CB ARG A 22 -0.446 -13.972 -1.013 1.00 0.00 C ATOM 318 CG ARG A 22 0.155 -15.382 -1.019 1.00 0.00 C ATOM 319 CD ARG A 22 -0.379 -16.174 0.176 1.00 0.00 C ATOM 320 NE ARG A 22 -1.341 -17.209 -0.299 1.00 0.00 N ATOM 321 CZ ARG A 22 -1.039 -17.964 -1.319 1.00 0.00 C ATOM 322 NH1 ARG A 22 0.209 -18.119 -1.669 1.00 0.00 N ATOM 323 NH2 ARG A 22 -1.985 -18.566 -1.986 1.00 0.00 N ATOM 0 H ARG A 22 1.041 -12.492 -2.752 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.290 -14.388 -2.941 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.260 -13.266 -0.576 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.343 -13.950 -0.394 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.098 -15.892 -1.948 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.243 -15.325 -0.973 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.446 -16.647 0.709 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.870 -15.502 0.880 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.237 -17.327 0.174 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.948 -17.650 -1.145 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.445 -18.709 -2.467 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.960 -18.446 -1.710 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.750 -19.157 -2.784 1.00 0.00 H new ATOM 337 N GLY A 23 -1.612 -11.515 -3.448 1.00 0.00 N ATOM 338 CA GLY A 23 -2.467 -10.297 -3.499 1.00 0.00 C ATOM 339 C GLY A 23 -2.493 -9.649 -2.117 1.00 0.00 C ATOM 340 O GLY A 23 -1.592 -9.829 -1.323 1.00 0.00 O ATOM 0 H GLY A 23 -0.987 -11.639 -4.244 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.078 -9.595 -4.237 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.478 -10.560 -3.811 1.00 0.00 H new ATOM 344 N PHE A 24 -3.517 -8.904 -1.813 1.00 0.00 N ATOM 345 CA PHE A 24 -3.580 -8.265 -0.473 1.00 0.00 C ATOM 346 C PHE A 24 -5.034 -8.139 -0.021 1.00 0.00 C ATOM 347 O PHE A 24 -5.945 -8.603 -0.679 1.00 0.00 O ATOM 348 CB PHE A 24 -2.935 -6.877 -0.526 1.00 0.00 C ATOM 349 CG PHE A 24 -3.137 -6.260 -1.889 1.00 0.00 C ATOM 350 CD1 PHE A 24 -4.380 -5.712 -2.233 1.00 0.00 C ATOM 351 CD2 PHE A 24 -2.077 -6.222 -2.804 1.00 0.00 C ATOM 352 CE1 PHE A 24 -4.561 -5.124 -3.493 1.00 0.00 C ATOM 353 CE2 PHE A 24 -2.260 -5.638 -4.065 1.00 0.00 C ATOM 354 CZ PHE A 24 -3.502 -5.087 -4.408 1.00 0.00 C ATOM 0 H PHE A 24 -4.307 -8.711 -2.429 1.00 0.00 H new ATOM 0 HA PHE A 24 -3.037 -8.886 0.239 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.371 -6.236 0.240 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.870 -6.954 -0.308 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.198 -5.743 -1.528 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.119 -6.643 -2.538 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.518 -4.699 -3.758 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -1.444 -5.613 -4.772 1.00 0.00 H new ATOM 0 HZ PHE A 24 -3.642 -4.634 -5.378 1.00 0.00 H new ATOM 364 N PHE A 25 -5.255 -7.520 1.105 1.00 0.00 N ATOM 365 CA PHE A 25 -6.648 -7.365 1.617 1.00 0.00 C ATOM 366 C PHE A 25 -7.130 -5.930 1.361 1.00 0.00 C ATOM 367 O PHE A 25 -6.385 -4.980 1.484 1.00 0.00 O ATOM 368 CB PHE A 25 -6.663 -7.713 3.123 1.00 0.00 C ATOM 369 CG PHE A 25 -7.291 -6.610 3.952 1.00 0.00 C ATOM 370 CD1 PHE A 25 -6.496 -5.569 4.452 1.00 0.00 C ATOM 371 CD2 PHE A 25 -8.665 -6.634 4.224 1.00 0.00 C ATOM 372 CE1 PHE A 25 -7.075 -4.554 5.224 1.00 0.00 C ATOM 373 CE2 PHE A 25 -9.245 -5.618 4.996 1.00 0.00 C ATOM 374 CZ PHE A 25 -8.449 -4.577 5.495 1.00 0.00 C ATOM 0 H PHE A 25 -4.530 -7.113 1.695 1.00 0.00 H new ATOM 0 HA PHE A 25 -7.328 -8.041 1.099 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.215 -8.641 3.276 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -5.643 -7.888 3.465 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -5.437 -5.550 4.242 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -9.278 -7.436 3.839 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -6.462 -3.753 5.610 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -10.304 -5.637 5.206 1.00 0.00 H new ATOM 0 HZ PHE A 25 -8.895 -3.793 6.088 1.00 0.00 H new ATOM 384 N TYR A 26 -8.376 -5.776 1.006 1.00 0.00 N ATOM 385 CA TYR A 26 -8.921 -4.415 0.740 1.00 0.00 C ATOM 386 C TYR A 26 -10.441 -4.439 0.939 1.00 0.00 C ATOM 387 O TYR A 26 -11.170 -3.717 0.289 1.00 0.00 O ATOM 388 CB TYR A 26 -8.616 -4.020 -0.709 1.00 0.00 C ATOM 389 CG TYR A 26 -7.420 -3.100 -0.752 1.00 0.00 C ATOM 390 CD1 TYR A 26 -7.399 -1.936 0.026 1.00 0.00 C ATOM 391 CD2 TYR A 26 -6.327 -3.411 -1.574 1.00 0.00 C ATOM 392 CE1 TYR A 26 -6.288 -1.083 -0.017 1.00 0.00 C ATOM 393 CE2 TYR A 26 -5.217 -2.559 -1.618 1.00 0.00 C ATOM 394 CZ TYR A 26 -5.197 -1.395 -0.838 1.00 0.00 C ATOM 395 OH TYR A 26 -4.105 -0.554 -0.880 1.00 0.00 O ATOM 0 H TYR A 26 -9.043 -6.538 0.888 1.00 0.00 H new ATOM 0 HA TYR A 26 -8.465 -3.697 1.421 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -8.421 -4.912 -1.304 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -9.482 -3.526 -1.150 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -8.240 -1.695 0.660 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -6.342 -4.309 -2.174 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -6.273 -0.185 0.583 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -4.377 -2.799 -2.253 1.00 0.00 H new ATOM 0 HH TYR A 26 -3.715 -0.479 0.016 1.00 0.00 H new ATOM 405 N THR A 27 -10.928 -5.275 1.820 1.00 0.00 N ATOM 406 CA THR A 27 -12.402 -5.351 2.038 1.00 0.00 C ATOM 407 C THR A 27 -12.801 -4.543 3.275 1.00 0.00 C ATOM 408 O THR A 27 -13.882 -4.699 3.806 1.00 0.00 O ATOM 409 CB THR A 27 -12.814 -6.812 2.232 1.00 0.00 C ATOM 410 OG1 THR A 27 -11.702 -7.556 2.712 1.00 0.00 O ATOM 411 CG2 THR A 27 -13.280 -7.394 0.896 1.00 0.00 C ATOM 0 H THR A 27 -10.370 -5.906 2.396 1.00 0.00 H new ATOM 0 HA THR A 27 -12.908 -4.936 1.166 1.00 0.00 H new ATOM 0 HB THR A 27 -13.629 -6.867 2.954 1.00 0.00 H new ATOM 0 HG1 THR A 27 -11.964 -8.492 2.839 1.00 0.00 H new ATOM 0 HG21 THR A 27 -13.573 -8.435 1.035 1.00 0.00 H new ATOM 0 HG22 THR A 27 -14.132 -6.823 0.528 1.00 0.00 H new ATOM 0 HG23 THR A 27 -12.467 -7.340 0.172 1.00 0.00 H new ATOM 419 N ASP A 28 -11.945 -3.675 3.736 1.00 0.00 N ATOM 420 CA ASP A 28 -12.290 -2.859 4.934 1.00 0.00 C ATOM 421 C ASP A 28 -12.370 -1.388 4.535 1.00 0.00 C ATOM 422 O ASP A 28 -13.437 -0.820 4.401 1.00 0.00 O ATOM 423 CB ASP A 28 -11.214 -3.045 6.008 1.00 0.00 C ATOM 424 CG ASP A 28 -11.628 -2.308 7.284 1.00 0.00 C ATOM 425 OD1 ASP A 28 -12.658 -2.658 7.839 1.00 0.00 O ATOM 426 OD2 ASP A 28 -10.910 -1.408 7.686 1.00 0.00 O ATOM 0 H ASP A 28 -11.024 -3.495 3.337 1.00 0.00 H new ATOM 0 HA ASP A 28 -13.253 -3.181 5.332 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -11.075 -4.106 6.218 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.258 -2.663 5.649 1.00 0.00 H new ATOM 431 N LYS A 29 -11.245 -0.774 4.338 1.00 0.00 N ATOM 432 CA LYS A 29 -11.225 0.660 3.938 1.00 0.00 C ATOM 433 C LYS A 29 -10.301 0.817 2.733 1.00 0.00 C ATOM 434 O LYS A 29 -9.225 0.255 2.692 1.00 0.00 O ATOM 435 CB LYS A 29 -10.700 1.507 5.100 1.00 0.00 C ATOM 436 CG LYS A 29 -11.396 2.868 5.102 1.00 0.00 C ATOM 437 CD LYS A 29 -11.399 3.441 6.523 1.00 0.00 C ATOM 438 CE LYS A 29 -10.883 4.880 6.498 1.00 0.00 C ATOM 439 NZ LYS A 29 -11.307 5.580 7.743 1.00 0.00 N ATOM 0 H LYS A 29 -10.326 -1.206 4.437 1.00 0.00 H new ATOM 0 HA LYS A 29 -12.231 0.991 3.681 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.879 0.995 6.046 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.622 1.639 5.008 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.883 3.551 4.425 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.418 2.766 4.738 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -12.408 3.413 6.935 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.772 2.831 7.173 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.796 4.887 6.416 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.272 5.402 5.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.957 6.559 7.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.345 5.585 7.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.915 5.085 8.570 1.00 0.00 H new ATOM 453 N GLY A 30 -10.703 1.573 1.752 1.00 0.00 N ATOM 454 CA GLY A 30 -9.832 1.754 0.560 1.00 0.00 C ATOM 455 C GLY A 30 -8.424 2.086 1.038 1.00 0.00 C ATOM 456 O GLY A 30 -7.441 1.636 0.484 1.00 0.00 O ATOM 0 H GLY A 30 -11.593 2.071 1.724 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.823 0.847 -0.044 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -10.216 2.554 -0.072 1.00 0.00 H new ATOM 460 N ILE A 31 -8.329 2.869 2.076 1.00 0.00 N ATOM 461 CA ILE A 31 -6.995 3.247 2.621 1.00 0.00 C ATOM 462 C ILE A 31 -6.022 3.527 1.465 1.00 0.00 C ATOM 463 O ILE A 31 -4.823 3.387 1.600 1.00 0.00 O ATOM 464 CB ILE A 31 -6.480 2.110 3.524 1.00 0.00 C ATOM 465 CG1 ILE A 31 -5.780 2.716 4.744 1.00 0.00 C ATOM 466 CG2 ILE A 31 -5.499 1.204 2.770 1.00 0.00 C ATOM 467 CD1 ILE A 31 -4.617 3.596 4.287 1.00 0.00 C ATOM 0 H ILE A 31 -9.125 3.267 2.574 1.00 0.00 H new ATOM 0 HA ILE A 31 -7.076 4.155 3.218 1.00 0.00 H new ATOM 0 HB ILE A 31 -7.330 1.505 3.838 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.488 3.306 5.326 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.414 1.923 5.396 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.153 0.411 3.433 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.000 0.763 1.908 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.646 1.793 2.432 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.122 4.025 5.158 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.904 2.993 3.724 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.995 4.398 3.653 1.00 0.00 H new ATOM 479 N VAL A 32 -6.534 3.931 0.334 1.00 0.00 N ATOM 480 CA VAL A 32 -5.649 4.231 -0.825 1.00 0.00 C ATOM 481 C VAL A 32 -5.630 5.740 -1.042 1.00 0.00 C ATOM 482 O VAL A 32 -4.618 6.319 -1.382 1.00 0.00 O ATOM 483 CB VAL A 32 -6.183 3.536 -2.078 1.00 0.00 C ATOM 484 CG1 VAL A 32 -6.074 2.022 -1.903 1.00 0.00 C ATOM 485 CG2 VAL A 32 -7.650 3.921 -2.292 1.00 0.00 C ATOM 0 H VAL A 32 -7.531 4.066 0.164 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.640 3.869 -0.626 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.598 3.847 -2.943 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.454 1.524 -2.795 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.030 1.747 -1.751 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.660 1.713 -1.037 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.030 3.425 -3.185 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.237 3.611 -1.428 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.728 5.001 -2.416 1.00 0.00 H new ATOM 495 N GLU A 33 -6.744 6.386 -0.827 1.00 0.00 N ATOM 496 CA GLU A 33 -6.790 7.861 -0.998 1.00 0.00 C ATOM 497 C GLU A 33 -5.827 8.497 0.004 1.00 0.00 C ATOM 498 O GLU A 33 -5.488 9.659 -0.093 1.00 0.00 O ATOM 499 CB GLU A 33 -8.214 8.365 -0.735 1.00 0.00 C ATOM 500 CG GLU A 33 -8.628 8.007 0.693 1.00 0.00 C ATOM 501 CD GLU A 33 -10.048 8.512 0.956 1.00 0.00 C ATOM 502 OE1 GLU A 33 -10.744 8.795 -0.006 1.00 0.00 O ATOM 503 OE2 GLU A 33 -10.416 8.606 2.116 1.00 0.00 O ATOM 0 H GLU A 33 -7.622 5.954 -0.541 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.501 8.129 -2.014 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -8.261 9.444 -0.878 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.907 7.918 -1.448 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.583 6.927 0.836 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.935 8.452 1.406 1.00 0.00 H new ATOM 510 N GLN A 34 -5.381 7.737 0.971 1.00 0.00 N ATOM 511 CA GLN A 34 -4.438 8.291 1.979 1.00 0.00 C ATOM 512 C GLN A 34 -3.012 8.234 1.433 1.00 0.00 C ATOM 513 O GLN A 34 -2.180 9.057 1.756 1.00 0.00 O ATOM 514 CB GLN A 34 -4.523 7.470 3.267 1.00 0.00 C ATOM 515 CG GLN A 34 -3.630 8.103 4.339 1.00 0.00 C ATOM 516 CD GLN A 34 -3.011 7.006 5.208 1.00 0.00 C ATOM 517 OE1 GLN A 34 -3.700 6.116 5.665 1.00 0.00 O ATOM 518 NE2 GLN A 34 -1.731 7.036 5.462 1.00 0.00 N ATOM 0 H GLN A 34 -5.631 6.757 1.103 1.00 0.00 H new ATOM 0 HA GLN A 34 -4.705 9.327 2.190 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.555 7.429 3.617 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.209 6.443 3.077 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.844 8.695 3.869 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -4.215 8.784 4.958 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.152 7.783 5.078 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -1.309 6.312 6.044 1.00 0.00 H new ATOM 527 N CYS A 35 -2.720 7.269 0.608 1.00 0.00 N ATOM 528 CA CYS A 35 -1.342 7.167 0.048 1.00 0.00 C ATOM 529 C CYS A 35 -1.263 7.941 -1.269 1.00 0.00 C ATOM 530 O CYS A 35 -0.200 8.121 -1.830 1.00 0.00 O ATOM 531 CB CYS A 35 -0.992 5.696 -0.194 1.00 0.00 C ATOM 532 SG CYS A 35 -0.356 4.963 1.338 1.00 0.00 S ATOM 0 H CYS A 35 -3.372 6.549 0.297 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.632 7.593 0.757 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -1.875 5.152 -0.530 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.247 5.614 -0.985 1.00 0.00 H new ATOM 537 N CYS A 36 -2.376 8.407 -1.767 1.00 0.00 N ATOM 538 CA CYS A 36 -2.352 9.176 -3.045 1.00 0.00 C ATOM 539 C CYS A 36 -1.899 10.609 -2.760 1.00 0.00 C ATOM 540 O CYS A 36 -1.512 11.339 -3.652 1.00 0.00 O ATOM 541 CB CYS A 36 -3.753 9.200 -3.662 1.00 0.00 C ATOM 542 SG CYS A 36 -3.642 9.764 -5.379 1.00 0.00 S ATOM 0 H CYS A 36 -3.298 8.289 -1.346 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.661 8.701 -3.741 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -4.197 8.206 -3.622 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -4.403 9.863 -3.091 1.00 0.00 H new ATOM 547 N THR A 37 -1.946 11.015 -1.521 1.00 0.00 N ATOM 548 CA THR A 37 -1.518 12.398 -1.168 1.00 0.00 C ATOM 549 C THR A 37 -0.351 12.327 -0.182 1.00 0.00 C ATOM 550 O THR A 37 0.586 13.096 -0.256 1.00 0.00 O ATOM 551 CB THR A 37 -2.690 13.148 -0.526 1.00 0.00 C ATOM 552 OG1 THR A 37 -2.188 14.133 0.366 1.00 0.00 O ATOM 553 CG2 THR A 37 -3.574 12.164 0.244 1.00 0.00 C ATOM 0 H THR A 37 -2.263 10.447 -0.736 1.00 0.00 H new ATOM 0 HA THR A 37 -1.203 12.926 -2.068 1.00 0.00 H new ATOM 0 HB THR A 37 -3.282 13.628 -1.305 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.936 14.615 0.776 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.406 12.701 0.699 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.961 11.409 -0.441 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.986 11.679 1.023 1.00 0.00 H new ATOM 561 N SER A 38 -0.399 11.403 0.739 1.00 0.00 N ATOM 562 CA SER A 38 0.709 11.275 1.727 1.00 0.00 C ATOM 563 C SER A 38 1.857 10.486 1.094 1.00 0.00 C ATOM 564 O SER A 38 1.770 10.052 -0.038 1.00 0.00 O ATOM 565 CB SER A 38 0.201 10.540 2.968 1.00 0.00 C ATOM 566 OG SER A 38 -1.206 10.714 3.071 1.00 0.00 O ATOM 0 H SER A 38 -1.158 10.731 0.850 1.00 0.00 H new ATOM 0 HA SER A 38 1.063 12.265 2.015 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.444 9.480 2.902 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.693 10.925 3.861 1.00 0.00 H new ATOM 0 HG SER A 38 -1.661 9.948 2.664 1.00 0.00 H new ATOM 572 N ILE A 39 2.931 10.293 1.809 1.00 0.00 N ATOM 573 CA ILE A 39 4.076 9.533 1.233 1.00 0.00 C ATOM 574 C ILE A 39 4.279 8.231 2.012 1.00 0.00 C ATOM 575 O ILE A 39 5.012 8.181 2.980 1.00 0.00 O ATOM 576 CB ILE A 39 5.346 10.382 1.312 1.00 0.00 C ATOM 577 CG1 ILE A 39 5.023 11.823 0.912 1.00 0.00 C ATOM 578 CG2 ILE A 39 6.398 9.817 0.357 1.00 0.00 C ATOM 579 CD1 ILE A 39 4.694 11.875 -0.581 1.00 0.00 C ATOM 0 H ILE A 39 3.065 10.627 2.763 1.00 0.00 H new ATOM 0 HA ILE A 39 3.862 9.297 0.191 1.00 0.00 H new ATOM 0 HB ILE A 39 5.730 10.363 2.332 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.179 12.193 1.495 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.871 12.472 1.131 1.00 0.00 H new ATOM 0 HG21 ILE A 39 7.303 10.422 0.413 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.630 8.790 0.638 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.012 9.836 -0.662 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.464 12.901 -0.867 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.551 11.522 -1.155 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.833 11.239 -0.786 1.00 0.00 H new ATOM 591 N CYS A 40 3.642 7.173 1.588 1.00 0.00 N ATOM 592 CA CYS A 40 3.803 5.865 2.292 1.00 0.00 C ATOM 593 C CYS A 40 4.695 4.964 1.437 1.00 0.00 C ATOM 594 O CYS A 40 4.829 5.167 0.248 1.00 0.00 O ATOM 595 CB CYS A 40 2.439 5.175 2.498 1.00 0.00 C ATOM 596 SG CYS A 40 1.075 6.247 1.961 1.00 0.00 S ATOM 0 H CYS A 40 3.016 7.157 0.783 1.00 0.00 H new ATOM 0 HA CYS A 40 4.249 6.041 3.271 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.413 4.240 1.938 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.312 4.920 3.550 1.00 0.00 H new ATOM 601 N SER A 41 5.315 3.974 2.020 1.00 0.00 N ATOM 602 CA SER A 41 6.190 3.092 1.212 1.00 0.00 C ATOM 603 C SER A 41 5.985 1.628 1.630 1.00 0.00 C ATOM 604 O SER A 41 4.928 1.056 1.428 1.00 0.00 O ATOM 605 CB SER A 41 7.647 3.512 1.422 1.00 0.00 C ATOM 606 OG SER A 41 8.049 3.172 2.743 1.00 0.00 O ATOM 0 H SER A 41 5.252 3.743 3.011 1.00 0.00 H new ATOM 0 HA SER A 41 5.938 3.184 0.156 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.289 3.015 0.695 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.755 4.585 1.262 1.00 0.00 H new ATOM 0 HG SER A 41 8.982 3.438 2.880 1.00 0.00 H new ATOM 612 N LEU A 42 6.983 1.013 2.204 1.00 0.00 N ATOM 613 CA LEU A 42 6.842 -0.411 2.611 1.00 0.00 C ATOM 614 C LEU A 42 6.116 -0.507 3.950 1.00 0.00 C ATOM 615 O LEU A 42 4.994 -0.949 4.012 1.00 0.00 O ATOM 616 CB LEU A 42 8.228 -1.048 2.743 1.00 0.00 C ATOM 617 CG LEU A 42 9.140 -0.541 1.624 1.00 0.00 C ATOM 618 CD1 LEU A 42 10.339 0.183 2.237 1.00 0.00 C ATOM 619 CD2 LEU A 42 9.634 -1.728 0.793 1.00 0.00 C ATOM 0 H LEU A 42 7.889 1.436 2.408 1.00 0.00 H new ATOM 0 HA LEU A 42 6.265 -0.938 1.851 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.659 -0.805 3.714 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.146 -2.134 2.694 1.00 0.00 H new ATOM 0 HG LEU A 42 8.586 0.146 0.984 1.00 0.00 H new ATOM 0 HD11 LEU A 42 10.991 0.545 1.442 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.989 1.026 2.832 1.00 0.00 H new ATOM 0 HD13 LEU A 42 10.893 -0.506 2.874 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.284 -1.368 -0.005 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.190 -2.414 1.433 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.780 -2.248 0.359 1.00 0.00 H new ATOM 631 N TYR A 43 6.764 -0.104 5.012 1.00 0.00 N ATOM 632 CA TYR A 43 6.148 -0.174 6.376 1.00 0.00 C ATOM 633 C TYR A 43 4.615 -0.160 6.301 1.00 0.00 C ATOM 634 O TYR A 43 3.959 -1.095 6.714 1.00 0.00 O ATOM 635 CB TYR A 43 6.619 1.031 7.193 1.00 0.00 C ATOM 636 CG TYR A 43 8.105 1.227 6.997 1.00 0.00 C ATOM 637 CD1 TYR A 43 9.013 0.488 7.765 1.00 0.00 C ATOM 638 CD2 TYR A 43 8.574 2.146 6.048 1.00 0.00 C ATOM 639 CE1 TYR A 43 10.392 0.667 7.586 1.00 0.00 C ATOM 640 CE2 TYR A 43 9.953 2.325 5.868 1.00 0.00 C ATOM 641 CZ TYR A 43 10.862 1.585 6.636 1.00 0.00 C ATOM 642 OH TYR A 43 12.220 1.760 6.462 1.00 0.00 O ATOM 0 H TYR A 43 7.710 0.277 4.994 1.00 0.00 H new ATOM 0 HA TYR A 43 6.458 -1.107 6.847 1.00 0.00 H new ATOM 0 HB2 TYR A 43 6.080 1.926 6.883 1.00 0.00 H new ATOM 0 HB3 TYR A 43 6.399 0.876 8.249 1.00 0.00 H new ATOM 0 HD1 TYR A 43 8.651 -0.220 8.496 1.00 0.00 H new ATOM 0 HD2 TYR A 43 7.873 2.716 5.456 1.00 0.00 H new ATOM 0 HE1 TYR A 43 11.092 0.098 8.180 1.00 0.00 H new ATOM 0 HE2 TYR A 43 10.315 3.033 5.137 1.00 0.00 H new ATOM 0 HH TYR A 43 12.377 2.431 5.765 1.00 0.00 H new ATOM 652 N GLN A 44 4.039 0.889 5.783 1.00 0.00 N ATOM 653 CA GLN A 44 2.552 0.961 5.702 1.00 0.00 C ATOM 654 C GLN A 44 2.010 -0.098 4.740 1.00 0.00 C ATOM 655 O GLN A 44 1.087 -0.822 5.059 1.00 0.00 O ATOM 656 CB GLN A 44 2.140 2.348 5.209 1.00 0.00 C ATOM 657 CG GLN A 44 2.488 3.390 6.272 1.00 0.00 C ATOM 658 CD GLN A 44 1.284 3.605 7.190 1.00 0.00 C ATOM 659 OE1 GLN A 44 0.159 3.351 6.806 1.00 0.00 O ATOM 660 NE2 GLN A 44 1.472 4.063 8.398 1.00 0.00 N ATOM 0 H GLN A 44 4.533 1.700 5.412 1.00 0.00 H new ATOM 0 HA GLN A 44 2.139 0.776 6.694 1.00 0.00 H new ATOM 0 HB2 GLN A 44 2.652 2.581 4.275 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.070 2.369 5.000 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.348 3.058 6.854 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.769 4.330 5.797 1.00 0.00 H new ATOM 0 HE21 GLN A 44 2.416 4.276 8.721 1.00 0.00 H new ATOM 0 HE22 GLN A 44 0.675 4.207 9.018 1.00 0.00 H new ATOM 669 N LEU A 45 2.556 -0.188 3.559 1.00 0.00 N ATOM 670 CA LEU A 45 2.042 -1.197 2.582 1.00 0.00 C ATOM 671 C LEU A 45 2.457 -2.609 3.009 1.00 0.00 C ATOM 672 O LEU A 45 1.884 -3.593 2.583 1.00 0.00 O ATOM 673 CB LEU A 45 2.611 -0.898 1.198 1.00 0.00 C ATOM 674 CG LEU A 45 2.405 0.581 0.868 1.00 0.00 C ATOM 675 CD1 LEU A 45 3.146 0.919 -0.424 1.00 0.00 C ATOM 676 CD2 LEU A 45 0.914 0.862 0.683 1.00 0.00 C ATOM 0 H LEU A 45 3.330 0.387 3.227 1.00 0.00 H new ATOM 0 HA LEU A 45 0.954 -1.141 2.555 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.673 -1.143 1.169 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.120 -1.520 0.450 1.00 0.00 H new ATOM 0 HG LEU A 45 2.791 1.192 1.684 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.001 1.973 -0.662 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.210 0.719 -0.296 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.757 0.307 -1.237 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.769 1.916 0.448 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.527 0.252 -0.133 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.381 0.619 1.602 1.00 0.00 H new ATOM 688 N GLU A 46 3.448 -2.716 3.844 1.00 0.00 N ATOM 689 CA GLU A 46 3.912 -4.058 4.293 1.00 0.00 C ATOM 690 C GLU A 46 2.905 -4.662 5.275 1.00 0.00 C ATOM 691 O GLU A 46 3.139 -5.715 5.838 1.00 0.00 O ATOM 692 CB GLU A 46 5.272 -3.914 4.981 1.00 0.00 C ATOM 693 CG GLU A 46 6.320 -3.463 3.959 1.00 0.00 C ATOM 694 CD GLU A 46 6.795 -4.669 3.146 1.00 0.00 C ATOM 695 OE1 GLU A 46 7.302 -5.602 3.746 1.00 0.00 O ATOM 696 OE2 GLU A 46 6.645 -4.637 1.935 1.00 0.00 O ATOM 0 H GLU A 46 3.961 -1.928 4.238 1.00 0.00 H new ATOM 0 HA GLU A 46 4.001 -4.716 3.428 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.205 -3.189 5.792 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.568 -4.864 5.426 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.896 -2.709 3.296 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.165 -3.000 4.469 1.00 0.00 H new ATOM 703 N ASN A 47 1.795 -4.012 5.503 1.00 0.00 N ATOM 704 CA ASN A 47 0.806 -4.573 6.463 1.00 0.00 C ATOM 705 C ASN A 47 -0.599 -4.611 5.844 1.00 0.00 C ATOM 706 O ASN A 47 -1.582 -4.708 6.549 1.00 0.00 O ATOM 707 CB ASN A 47 0.782 -3.704 7.722 1.00 0.00 C ATOM 708 CG ASN A 47 2.202 -3.579 8.279 1.00 0.00 C ATOM 709 OD1 ASN A 47 2.948 -4.538 8.294 1.00 0.00 O ATOM 710 ND2 ASN A 47 2.611 -2.429 8.739 1.00 0.00 N ATOM 0 H ASN A 47 1.534 -3.126 5.070 1.00 0.00 H new ATOM 0 HA ASN A 47 1.101 -5.592 6.713 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.383 -2.717 7.489 1.00 0.00 H new ATOM 0 HB3 ASN A 47 0.123 -4.146 8.470 1.00 0.00 H new ATOM 0 HD21 ASN A 47 3.556 -2.335 9.111 1.00 0.00 H new ATOM 0 HD22 ASN A 47 1.986 -1.623 8.727 1.00 0.00 H new ATOM 717 N TYR A 48 -0.717 -4.550 4.540 1.00 0.00 N ATOM 718 CA TYR A 48 -2.084 -4.601 3.930 1.00 0.00 C ATOM 719 C TYR A 48 -2.244 -5.877 3.097 1.00 0.00 C ATOM 720 O TYR A 48 -3.328 -6.207 2.661 1.00 0.00 O ATOM 721 CB TYR A 48 -2.312 -3.392 3.015 1.00 0.00 C ATOM 722 CG TYR A 48 -2.088 -2.108 3.773 1.00 0.00 C ATOM 723 CD1 TYR A 48 -2.180 -2.087 5.170 1.00 0.00 C ATOM 724 CD2 TYR A 48 -1.783 -0.933 3.073 1.00 0.00 C ATOM 725 CE1 TYR A 48 -1.965 -0.892 5.869 1.00 0.00 C ATOM 726 CE2 TYR A 48 -1.570 0.262 3.770 1.00 0.00 C ATOM 727 CZ TYR A 48 -1.660 0.285 5.168 1.00 0.00 C ATOM 728 OH TYR A 48 -1.447 1.463 5.854 1.00 0.00 O ATOM 0 H TYR A 48 0.058 -4.469 3.881 1.00 0.00 H new ATOM 0 HA TYR A 48 -2.813 -4.590 4.740 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -1.635 -3.441 2.162 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -3.327 -3.415 2.618 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -2.417 -2.992 5.709 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -1.712 -0.949 1.995 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.034 -0.877 6.947 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -1.336 1.167 3.230 1.00 0.00 H new ATOM 0 HH TYR A 48 -0.505 1.523 6.117 1.00 0.00 H new ATOM 738 N CYS A 49 -1.177 -6.587 2.854 1.00 0.00 N ATOM 739 CA CYS A 49 -1.284 -7.824 2.028 1.00 0.00 C ATOM 740 C CYS A 49 -1.170 -9.069 2.907 1.00 0.00 C ATOM 741 O CYS A 49 -1.283 -9.006 4.114 1.00 0.00 O ATOM 742 CB CYS A 49 -0.167 -7.831 0.984 1.00 0.00 C ATOM 743 SG CYS A 49 1.418 -8.175 1.787 1.00 0.00 S ATOM 0 H CYS A 49 -0.239 -6.366 3.190 1.00 0.00 H new ATOM 0 HA CYS A 49 -2.255 -7.835 1.534 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.372 -8.585 0.224 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -0.126 -6.868 0.475 1.00 0.00 H new ATOM 748 N ASN A 50 -0.950 -10.207 2.301 1.00 0.00 N ATOM 749 CA ASN A 50 -0.833 -11.462 3.094 1.00 0.00 C ATOM 750 C ASN A 50 0.325 -12.304 2.555 1.00 0.00 C ATOM 751 O ASN A 50 0.364 -12.522 1.355 1.00 0.00 O ATOM 752 CB ASN A 50 -2.134 -12.256 2.982 1.00 0.00 C ATOM 753 CG ASN A 50 -2.459 -12.890 4.335 1.00 0.00 C ATOM 754 OD1 ASN A 50 -1.716 -12.738 5.283 1.00 0.00 O ATOM 755 ND2 ASN A 50 -3.547 -13.598 4.465 1.00 0.00 N ATOM 756 OXT ASN A 50 1.150 -12.720 3.352 1.00 0.00 O ATOM 0 H ASN A 50 -0.847 -10.319 1.292 1.00 0.00 H new ATOM 0 HA ASN A 50 -0.644 -11.214 4.139 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -2.947 -11.601 2.670 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -2.037 -13.029 2.220 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -3.774 -14.024 5.364 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -4.171 -13.725 3.668 1.00 0.00 H new TER 763 ASN A 50