USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 780 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: C 13 ASN : amide:sc= -0.318 K(o=-0.32,f=-2.7!) USER MOD Set 1.2: C 19 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: C 11 SER OG : rot 180:sc= 0 USER MOD Set 2.2: C 21 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 29 GLN : amide:sc= -0.147 K(o=-0.15,f=-3.7!) USER MOD Set 3.2: C 7 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.117) USER MOD Set 4.1: A 13 ASN : amide:sc= -0.592 K(o=-0.59,f=-3.5!) USER MOD Set 4.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -155:sc= -0.647 (180deg=-2.68!) USER MOD Single : A 1 MET N :NH3+ -115:sc= 0.0437 (180deg=-0.192) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc=-0.000124 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.974 X(o=-0.97,f=-0.97) USER MOD Single : A 35 ASN : amide:sc= -0.155 K(o=-0.15,f=-2.7!) USER MOD Single : A 38 LYS NZ :NH3+ -152:sc= -0.155 (180deg=-0.692) USER MOD Single : A 43 HIS : no HE2:sc= -1.16 K(o=-1.2,f=-1.8) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : C 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 1 MET N :NH3+ 132:sc= 0.0408 (180deg=0) USER MOD Single : C 5 THR OG1 : rot 180:sc= 0.00843 USER MOD Single : C 26 SER OG : rot 180:sc= 0 USER MOD Single : C 28 GLN : amide:sc= -0.358 K(o=-0.36,f=-3.8) USER MOD Single : C 29 GLN : amide:sc= -1.31 X(o=-1.3,f=-1.2) USER MOD Single : C 35 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : C 38 LYS NZ :NH3+ 165:sc= -0.201 (180deg=-0.534) USER MOD Single : C 43 HIS : no HE2:sc= -1.04 K(o=-1,f=-1.9) USER MOD Single : C 48 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.413 10.535 -3.462 1.00 0.00 N ATOM 2 CA MET A 1 -7.419 9.446 -3.546 1.00 0.00 C ATOM 3 C MET A 1 -6.136 9.910 -4.223 1.00 0.00 C ATOM 4 O MET A 1 -6.101 10.960 -4.860 1.00 0.00 O ATOM 5 CB MET A 1 -7.926 8.276 -4.391 1.00 0.00 C ATOM 6 CG MET A 1 -9.119 7.534 -3.809 1.00 0.00 C ATOM 7 SD MET A 1 -8.671 6.098 -2.819 1.00 0.00 S ATOM 8 CE MET A 1 -8.059 5.103 -4.204 1.00 0.00 C ATOM 0 H1 MET A 1 -8.582 10.775 -2.464 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.054 11.372 -3.963 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.304 10.226 -3.899 1.00 0.00 H new ATOM 0 HA MET A 1 -7.241 9.142 -2.515 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.196 8.650 -5.378 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.109 7.568 -4.531 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.697 8.222 -3.193 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.768 7.213 -4.624 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.133 4.045 -3.953 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.657 5.308 -5.092 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.018 5.357 -4.402 1.00 0.00 H new ATOM 20 N LEU A 2 -5.085 9.107 -4.070 1.00 0.00 N ATOM 21 CA LEU A 2 -3.849 9.220 -4.820 1.00 0.00 C ATOM 22 C LEU A 2 -3.481 7.799 -5.237 1.00 0.00 C ATOM 23 O LEU A 2 -3.187 6.956 -4.390 1.00 0.00 O ATOM 24 CB LEU A 2 -2.801 9.916 -3.938 1.00 0.00 C ATOM 25 CG LEU A 2 -1.451 10.185 -4.610 1.00 0.00 C ATOM 26 CD1 LEU A 2 -0.526 8.979 -4.495 1.00 0.00 C ATOM 27 CD2 LEU A 2 -1.585 10.561 -6.083 1.00 0.00 C ATOM 0 H LEU A 2 -5.076 8.339 -3.399 1.00 0.00 H new ATOM 0 HA LEU A 2 -3.927 9.831 -5.719 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -3.212 10.865 -3.595 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -2.631 9.303 -3.053 1.00 0.00 H new ATOM 0 HG LEU A 2 -1.024 11.035 -4.078 1.00 0.00 H new ATOM 0 HD11 LEU A 2 0.424 9.201 -4.981 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -0.351 8.754 -3.443 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -0.988 8.118 -4.978 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -0.596 10.740 -6.504 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -2.068 9.747 -6.624 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -2.187 11.465 -6.174 1.00 0.00 H new ATOM 39 N ILE A 3 -3.504 7.531 -6.546 1.00 0.00 N ATOM 40 CA ILE A 3 -3.322 6.196 -7.095 1.00 0.00 C ATOM 41 C ILE A 3 -2.013 6.126 -7.873 1.00 0.00 C ATOM 42 O ILE A 3 -1.638 7.078 -8.559 1.00 0.00 O ATOM 43 CB ILE A 3 -4.492 5.848 -8.026 1.00 0.00 C ATOM 44 CG1 ILE A 3 -5.824 5.777 -7.273 1.00 0.00 C ATOM 45 CG2 ILE A 3 -4.258 4.493 -8.691 1.00 0.00 C ATOM 46 CD1 ILE A 3 -6.531 7.124 -7.265 1.00 0.00 C ATOM 0 H ILE A 3 -3.652 8.247 -7.257 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.290 5.480 -6.274 1.00 0.00 H new ATOM 0 HB ILE A 3 -4.543 6.642 -8.771 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.467 5.030 -7.738 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.647 5.451 -6.248 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -5.096 4.260 -9.348 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.338 4.528 -9.275 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.172 3.722 -7.925 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.472 7.038 -6.723 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -5.898 7.865 -6.777 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -6.730 7.436 -8.290 1.00 0.00 H new ATOM 58 N LEU A 4 -1.322 4.994 -7.763 1.00 0.00 N ATOM 59 CA LEU A 4 -0.093 4.741 -8.499 1.00 0.00 C ATOM 60 C LEU A 4 0.232 3.247 -8.516 1.00 0.00 C ATOM 61 O LEU A 4 -0.495 2.440 -7.943 1.00 0.00 O ATOM 62 CB LEU A 4 1.048 5.595 -7.925 1.00 0.00 C ATOM 63 CG LEU A 4 1.095 5.694 -6.400 1.00 0.00 C ATOM 64 CD1 LEU A 4 1.494 4.373 -5.743 1.00 0.00 C ATOM 65 CD2 LEU A 4 2.140 6.757 -6.073 1.00 0.00 C ATOM 0 H LEU A 4 -1.603 4.224 -7.156 1.00 0.00 H new ATOM 0 HA LEU A 4 -0.225 5.037 -9.540 1.00 0.00 H new ATOM 0 HB2 LEU A 4 1.996 5.185 -8.274 1.00 0.00 H new ATOM 0 HB3 LEU A 4 0.966 6.602 -8.334 1.00 0.00 H new ATOM 0 HG LEU A 4 0.106 5.945 -6.018 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.513 4.496 -4.660 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.771 3.602 -6.008 1.00 0.00 H new ATOM 0 HD13 LEU A 4 2.484 4.078 -6.092 1.00 0.00 H new ATOM 0 HD21 LEU A 4 2.217 6.871 -4.992 1.00 0.00 H new ATOM 0 HD22 LEU A 4 3.106 6.453 -6.475 1.00 0.00 H new ATOM 0 HD23 LEU A 4 1.844 7.707 -6.518 1.00 0.00 H new ATOM 77 N THR A 5 1.331 2.881 -9.185 1.00 0.00 N ATOM 78 CA THR A 5 1.784 1.500 -9.272 1.00 0.00 C ATOM 79 C THR A 5 3.122 1.335 -8.573 1.00 0.00 C ATOM 80 O THR A 5 3.872 2.293 -8.395 1.00 0.00 O ATOM 81 CB THR A 5 1.948 1.035 -10.724 1.00 0.00 C ATOM 82 OG1 THR A 5 2.522 2.059 -11.500 1.00 0.00 O ATOM 83 CG2 THR A 5 0.627 0.599 -11.351 1.00 0.00 C ATOM 0 H THR A 5 1.929 3.542 -9.681 1.00 0.00 H new ATOM 0 HA THR A 5 1.018 0.893 -8.789 1.00 0.00 H new ATOM 0 HB THR A 5 2.606 0.166 -10.706 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.624 1.751 -12.425 1.00 0.00 H new ATOM 0 HG21 THR A 5 0.800 0.280 -12.379 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.209 -0.229 -10.779 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.073 1.435 -11.344 1.00 0.00 H new ATOM 91 N ARG A 6 3.404 0.092 -8.182 1.00 0.00 N ATOM 92 CA ARG A 6 4.639 -0.300 -7.528 1.00 0.00 C ATOM 93 C ARG A 6 4.945 -1.740 -7.941 1.00 0.00 C ATOM 94 O ARG A 6 4.063 -2.422 -8.456 1.00 0.00 O ATOM 95 CB ARG A 6 4.424 -0.179 -6.014 1.00 0.00 C ATOM 96 CG ARG A 6 5.703 -0.203 -5.176 1.00 0.00 C ATOM 97 CD ARG A 6 6.477 1.119 -5.184 1.00 0.00 C ATOM 98 NE ARG A 6 7.303 1.299 -6.383 1.00 0.00 N ATOM 99 CZ ARG A 6 8.405 2.051 -6.427 1.00 0.00 C ATOM 100 NH1 ARG A 6 8.832 2.702 -5.348 1.00 0.00 N ATOM 101 NH2 ARG A 6 9.088 2.154 -7.563 1.00 0.00 N ATOM 0 H ARG A 6 2.758 -0.686 -8.318 1.00 0.00 H new ATOM 0 HA ARG A 6 5.481 0.331 -7.812 1.00 0.00 H new ATOM 0 HB2 ARG A 6 3.892 0.750 -5.811 1.00 0.00 H new ATOM 0 HB3 ARG A 6 3.778 -0.994 -5.688 1.00 0.00 H new ATOM 0 HG2 ARG A 6 5.447 -0.456 -4.147 1.00 0.00 H new ATOM 0 HG3 ARG A 6 6.353 -0.995 -5.547 1.00 0.00 H new ATOM 0 HD2 ARG A 6 5.771 1.946 -5.110 1.00 0.00 H new ATOM 0 HD3 ARG A 6 7.115 1.164 -4.301 1.00 0.00 H new ATOM 0 HE ARG A 6 7.017 0.819 -7.237 1.00 0.00 H new ATOM 0 HH11 ARG A 6 8.315 2.630 -4.471 1.00 0.00 H new ATOM 0 HH12 ARG A 6 9.676 3.273 -5.397 1.00 0.00 H new ATOM 0 HH21 ARG A 6 8.769 1.660 -8.396 1.00 0.00 H new ATOM 0 HH22 ARG A 6 9.931 2.728 -7.601 1.00 0.00 H new ATOM 115 N LYS A 7 6.176 -2.212 -7.724 1.00 0.00 N ATOM 116 CA LYS A 7 6.538 -3.596 -8.011 1.00 0.00 C ATOM 117 C LYS A 7 7.106 -4.244 -6.760 1.00 0.00 C ATOM 118 O LYS A 7 7.551 -3.542 -5.854 1.00 0.00 O ATOM 119 CB LYS A 7 7.547 -3.668 -9.158 1.00 0.00 C ATOM 120 CG LYS A 7 6.837 -3.857 -10.496 1.00 0.00 C ATOM 121 CD LYS A 7 7.859 -4.107 -11.604 1.00 0.00 C ATOM 122 CE LYS A 7 7.127 -4.692 -12.810 1.00 0.00 C ATOM 123 NZ LYS A 7 8.063 -4.976 -13.913 1.00 0.00 N ATOM 0 H LYS A 7 6.940 -1.650 -7.348 1.00 0.00 H new ATOM 0 HA LYS A 7 5.643 -4.137 -8.319 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.141 -2.755 -9.183 1.00 0.00 H new ATOM 0 HB3 LYS A 7 8.238 -4.494 -8.989 1.00 0.00 H new ATOM 0 HG2 LYS A 7 6.145 -4.697 -10.433 1.00 0.00 H new ATOM 0 HG3 LYS A 7 6.245 -2.972 -10.730 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.358 -3.177 -11.877 1.00 0.00 H new ATOM 0 HD3 LYS A 7 8.632 -4.794 -11.259 1.00 0.00 H new ATOM 0 HE2 LYS A 7 6.615 -5.609 -12.519 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.362 -3.993 -13.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 7.539 -5.372 -14.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.533 -4.095 -14.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 8.778 -5.661 -13.594 1.00 0.00 H new ATOM 137 N VAL A 8 7.100 -5.581 -6.699 1.00 0.00 N ATOM 138 CA VAL A 8 7.552 -6.255 -5.486 1.00 0.00 C ATOM 139 C VAL A 8 8.983 -5.859 -5.124 1.00 0.00 C ATOM 140 O VAL A 8 9.837 -5.697 -6.000 1.00 0.00 O ATOM 141 CB VAL A 8 7.423 -7.773 -5.608 1.00 0.00 C ATOM 142 CG1 VAL A 8 5.970 -8.136 -5.900 1.00 0.00 C ATOM 143 CG2 VAL A 8 8.319 -8.359 -6.697 1.00 0.00 C ATOM 0 H VAL A 8 6.796 -6.198 -7.452 1.00 0.00 H new ATOM 0 HA VAL A 8 6.900 -5.928 -4.676 1.00 0.00 H new ATOM 0 HB VAL A 8 7.747 -8.201 -4.659 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.876 -9.218 -5.987 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.336 -7.781 -5.088 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.659 -7.668 -6.834 1.00 0.00 H new ATOM 0 HG21 VAL A 8 8.184 -9.440 -6.737 1.00 0.00 H new ATOM 0 HG22 VAL A 8 8.052 -7.925 -7.660 1.00 0.00 H new ATOM 0 HG23 VAL A 8 9.361 -8.131 -6.472 1.00 0.00 H new ATOM 153 N GLY A 9 9.239 -5.695 -3.823 1.00 0.00 N ATOM 154 CA GLY A 9 10.560 -5.374 -3.301 1.00 0.00 C ATOM 155 C GLY A 9 10.803 -3.870 -3.180 1.00 0.00 C ATOM 156 O GLY A 9 11.807 -3.459 -2.599 1.00 0.00 O ATOM 0 H GLY A 9 8.525 -5.783 -3.100 1.00 0.00 H new ATOM 0 HA2 GLY A 9 10.680 -5.836 -2.321 1.00 0.00 H new ATOM 0 HA3 GLY A 9 11.318 -5.808 -3.953 1.00 0.00 H new ATOM 160 N GLU A 10 9.904 -3.044 -3.719 1.00 0.00 N ATOM 161 CA GLU A 10 10.039 -1.596 -3.664 1.00 0.00 C ATOM 162 C GLU A 10 9.368 -1.030 -2.413 1.00 0.00 C ATOM 163 O GLU A 10 8.867 -1.783 -1.574 1.00 0.00 O ATOM 164 CB GLU A 10 9.425 -0.985 -4.927 1.00 0.00 C ATOM 165 CG GLU A 10 10.150 -1.444 -6.192 1.00 0.00 C ATOM 166 CD GLU A 10 11.615 -1.016 -6.178 1.00 0.00 C ATOM 167 OE1 GLU A 10 11.863 0.210 -6.107 1.00 0.00 O ATOM 168 OE2 GLU A 10 12.479 -1.916 -6.233 1.00 0.00 O ATOM 0 H GLU A 10 9.066 -3.364 -4.204 1.00 0.00 H new ATOM 0 HA GLU A 10 11.097 -1.340 -3.614 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.373 -1.263 -4.990 1.00 0.00 H new ATOM 0 HB3 GLU A 10 9.464 0.102 -4.860 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.087 -2.529 -6.277 1.00 0.00 H new ATOM 0 HG3 GLU A 10 9.655 -1.026 -7.069 1.00 0.00 H new ATOM 175 N SER A 11 9.352 0.301 -2.284 1.00 0.00 N ATOM 176 CA SER A 11 8.847 0.973 -1.094 1.00 0.00 C ATOM 177 C SER A 11 8.058 2.236 -1.439 1.00 0.00 C ATOM 178 O SER A 11 8.034 2.683 -2.588 1.00 0.00 O ATOM 179 CB SER A 11 10.020 1.314 -0.176 1.00 0.00 C ATOM 180 OG SER A 11 10.725 0.148 0.193 1.00 0.00 O ATOM 0 H SER A 11 9.690 0.938 -3.005 1.00 0.00 H new ATOM 0 HA SER A 11 8.159 0.297 -0.586 1.00 0.00 H new ATOM 0 HB2 SER A 11 10.693 2.007 -0.681 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.653 1.820 0.717 1.00 0.00 H new ATOM 0 HG SER A 11 11.472 0.389 0.779 1.00 0.00 H new ATOM 186 N ILE A 12 7.417 2.798 -0.414 1.00 0.00 N ATOM 187 CA ILE A 12 6.461 3.904 -0.474 1.00 0.00 C ATOM 188 C ILE A 12 6.497 4.609 0.889 1.00 0.00 C ATOM 189 O ILE A 12 7.007 4.043 1.855 1.00 0.00 O ATOM 190 CB ILE A 12 5.058 3.342 -0.784 1.00 0.00 C ATOM 191 CG1 ILE A 12 5.040 2.735 -2.195 1.00 0.00 C ATOM 192 CG2 ILE A 12 3.960 4.410 -0.666 1.00 0.00 C ATOM 193 CD1 ILE A 12 3.647 2.270 -2.628 1.00 0.00 C ATOM 0 H ILE A 12 7.561 2.472 0.542 1.00 0.00 H new ATOM 0 HA ILE A 12 6.712 4.617 -1.259 1.00 0.00 H new ATOM 0 HB ILE A 12 4.846 2.572 -0.042 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.408 3.474 -2.907 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.727 1.889 -2.230 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.992 3.964 -0.894 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.946 4.807 0.349 1.00 0.00 H new ATOM 0 HG23 ILE A 12 4.161 5.218 -1.369 1.00 0.00 H new ATOM 0 HD11 ILE A 12 3.699 1.851 -3.633 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.286 1.509 -1.936 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.963 3.118 -2.624 1.00 0.00 H new ATOM 205 N ASN A 13 5.965 5.828 0.994 1.00 0.00 N ATOM 206 CA ASN A 13 5.993 6.582 2.242 1.00 0.00 C ATOM 207 C ASN A 13 4.721 7.397 2.452 1.00 0.00 C ATOM 208 O ASN A 13 4.015 7.730 1.499 1.00 0.00 O ATOM 209 CB ASN A 13 7.204 7.510 2.251 1.00 0.00 C ATOM 210 CG ASN A 13 8.509 6.740 2.324 1.00 0.00 C ATOM 211 OD1 ASN A 13 9.074 6.374 1.299 1.00 0.00 O ATOM 212 ND2 ASN A 13 8.996 6.489 3.536 1.00 0.00 N ATOM 0 H ASN A 13 5.507 6.314 0.223 1.00 0.00 H new ATOM 0 HA ASN A 13 6.061 5.864 3.059 1.00 0.00 H new ATOM 0 HB2 ASN A 13 7.196 8.125 1.351 1.00 0.00 H new ATOM 0 HB3 ASN A 13 7.135 8.188 3.102 1.00 0.00 H new ATOM 0 HD21 ASN A 13 9.871 5.974 3.638 1.00 0.00 H new ATOM 0 HD22 ASN A 13 8.495 6.811 4.364 1.00 0.00 H new ATOM 219 N ILE A 14 4.446 7.707 3.725 1.00 0.00 N ATOM 220 CA ILE A 14 3.278 8.470 4.147 1.00 0.00 C ATOM 221 C ILE A 14 3.694 9.415 5.272 1.00 0.00 C ATOM 222 O ILE A 14 4.584 9.095 6.065 1.00 0.00 O ATOM 223 CB ILE A 14 2.166 7.511 4.616 1.00 0.00 C ATOM 224 CG1 ILE A 14 1.776 6.542 3.494 1.00 0.00 C ATOM 225 CG2 ILE A 14 0.943 8.310 5.075 1.00 0.00 C ATOM 226 CD1 ILE A 14 0.695 5.552 3.932 1.00 0.00 C ATOM 0 H ILE A 14 5.045 7.426 4.502 1.00 0.00 H new ATOM 0 HA ILE A 14 2.887 9.054 3.314 1.00 0.00 H new ATOM 0 HB ILE A 14 2.544 6.928 5.455 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.419 7.109 2.634 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.659 5.992 3.169 1.00 0.00 H new ATOM 0 HG21 ILE A 14 0.163 7.624 5.404 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.224 8.963 5.901 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.570 8.913 4.247 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.453 4.887 3.103 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.060 4.964 4.774 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.199 6.099 4.232 1.00 0.00 H new ATOM 238 N GLY A 15 3.046 10.583 5.348 1.00 0.00 N ATOM 239 CA GLY A 15 3.344 11.578 6.362 1.00 0.00 C ATOM 240 C GLY A 15 4.830 11.906 6.363 1.00 0.00 C ATOM 241 O GLY A 15 5.448 12.017 5.305 1.00 0.00 O ATOM 0 H GLY A 15 2.303 10.857 4.705 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.766 12.483 6.174 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.046 11.207 7.343 1.00 0.00 H new ATOM 245 N ASP A 16 5.400 12.058 7.556 1.00 0.00 N ATOM 246 CA ASP A 16 6.820 12.334 7.734 1.00 0.00 C ATOM 247 C ASP A 16 7.414 11.373 8.770 1.00 0.00 C ATOM 248 O ASP A 16 8.537 11.565 9.228 1.00 0.00 O ATOM 249 CB ASP A 16 7.004 13.791 8.164 1.00 0.00 C ATOM 250 CG ASP A 16 6.438 14.761 7.133 1.00 0.00 C ATOM 251 OD1 ASP A 16 7.169 15.069 6.165 1.00 0.00 O ATOM 252 OD2 ASP A 16 5.278 15.197 7.318 1.00 0.00 O ATOM 0 H ASP A 16 4.883 11.992 8.433 1.00 0.00 H new ATOM 0 HA ASP A 16 7.346 12.181 6.792 1.00 0.00 H new ATOM 0 HB2 ASP A 16 6.512 13.952 9.123 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.064 13.995 8.312 1.00 0.00 H new ATOM 257 N ASP A 17 6.652 10.332 9.136 1.00 0.00 N ATOM 258 CA ASP A 17 7.051 9.358 10.142 1.00 0.00 C ATOM 259 C ASP A 17 6.560 7.952 9.778 1.00 0.00 C ATOM 260 O ASP A 17 6.621 7.057 10.620 1.00 0.00 O ATOM 261 CB ASP A 17 6.494 9.762 11.510 1.00 0.00 C ATOM 262 CG ASP A 17 6.995 11.136 11.956 1.00 0.00 C ATOM 263 OD1 ASP A 17 8.135 11.193 12.474 1.00 0.00 O ATOM 264 OD2 ASP A 17 6.234 12.114 11.778 1.00 0.00 O ATOM 0 H ASP A 17 5.733 10.148 8.733 1.00 0.00 H new ATOM 0 HA ASP A 17 8.140 9.340 10.182 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.405 9.770 11.469 1.00 0.00 H new ATOM 0 HB3 ASP A 17 6.779 9.015 12.251 1.00 0.00 H new ATOM 269 N ILE A 18 6.077 7.737 8.546 1.00 0.00 N ATOM 270 CA ILE A 18 5.579 6.428 8.144 1.00 0.00 C ATOM 271 C ILE A 18 6.227 5.992 6.837 1.00 0.00 C ATOM 272 O ILE A 18 6.537 6.809 5.972 1.00 0.00 O ATOM 273 CB ILE A 18 4.044 6.438 8.019 1.00 0.00 C ATOM 274 CG1 ILE A 18 3.352 6.855 9.322 1.00 0.00 C ATOM 275 CG2 ILE A 18 3.538 5.047 7.630 1.00 0.00 C ATOM 276 CD1 ILE A 18 3.093 8.361 9.348 1.00 0.00 C ATOM 0 H ILE A 18 6.024 8.452 7.820 1.00 0.00 H new ATOM 0 HA ILE A 18 5.846 5.708 8.917 1.00 0.00 H new ATOM 0 HB ILE A 18 3.800 7.170 7.249 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.409 6.319 9.425 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.972 6.575 10.173 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.452 5.066 7.544 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.972 4.756 6.673 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.829 4.327 8.395 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.601 8.630 10.283 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.040 8.895 9.270 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.452 8.635 8.510 1.00 0.00 H new ATOM 288 N THR A 19 6.425 4.679 6.703 1.00 0.00 N ATOM 289 CA THR A 19 6.981 4.051 5.520 1.00 0.00 C ATOM 290 C THR A 19 6.176 2.790 5.229 1.00 0.00 C ATOM 291 O THR A 19 5.588 2.203 6.138 1.00 0.00 O ATOM 292 CB THR A 19 8.461 3.724 5.757 1.00 0.00 C ATOM 293 OG1 THR A 19 9.158 4.905 6.086 1.00 0.00 O ATOM 294 CG2 THR A 19 9.114 3.109 4.520 1.00 0.00 C ATOM 0 H THR A 19 6.194 4.012 7.439 1.00 0.00 H new ATOM 0 HA THR A 19 6.922 4.720 4.662 1.00 0.00 H new ATOM 0 HB THR A 19 8.509 3.001 6.572 1.00 0.00 H new ATOM 0 HG1 THR A 19 10.103 4.695 6.239 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.161 2.893 4.731 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.598 2.185 4.258 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.049 3.810 3.688 1.00 0.00 H new ATOM 302 N ILE A 20 6.145 2.381 3.962 1.00 0.00 N ATOM 303 CA ILE A 20 5.377 1.234 3.504 1.00 0.00 C ATOM 304 C ILE A 20 6.255 0.444 2.540 1.00 0.00 C ATOM 305 O ILE A 20 7.077 1.028 1.833 1.00 0.00 O ATOM 306 CB ILE A 20 4.109 1.729 2.790 1.00 0.00 C ATOM 307 CG1 ILE A 20 3.209 2.587 3.688 1.00 0.00 C ATOM 308 CG2 ILE A 20 3.312 0.553 2.218 1.00 0.00 C ATOM 309 CD1 ILE A 20 2.575 1.794 4.829 1.00 0.00 C ATOM 0 H ILE A 20 6.662 2.847 3.216 1.00 0.00 H new ATOM 0 HA ILE A 20 5.079 0.601 4.340 1.00 0.00 H new ATOM 0 HB ILE A 20 4.449 2.368 1.975 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.795 3.406 4.104 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.421 3.034 3.082 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.419 0.928 1.717 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.928 0.010 1.502 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.020 -0.117 3.027 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.950 2.456 5.429 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.963 0.991 4.418 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.359 1.369 5.456 1.00 0.00 H new ATOM 321 N THR A 21 6.083 -0.880 2.503 1.00 0.00 N ATOM 322 CA THR A 21 6.868 -1.727 1.618 1.00 0.00 C ATOM 323 C THR A 21 5.975 -2.793 0.999 1.00 0.00 C ATOM 324 O THR A 21 5.009 -3.238 1.617 1.00 0.00 O ATOM 325 CB THR A 21 8.012 -2.368 2.412 1.00 0.00 C ATOM 326 OG1 THR A 21 8.640 -1.409 3.233 1.00 0.00 O ATOM 327 CG2 THR A 21 9.069 -2.958 1.478 1.00 0.00 C ATOM 0 H THR A 21 5.406 -1.383 3.077 1.00 0.00 H new ATOM 0 HA THR A 21 7.293 -1.127 0.813 1.00 0.00 H new ATOM 0 HB THR A 21 7.577 -3.161 3.020 1.00 0.00 H new ATOM 0 HG1 THR A 21 9.367 -1.834 3.735 1.00 0.00 H new ATOM 0 HG21 THR A 21 9.868 -3.406 2.069 1.00 0.00 H new ATOM 0 HG22 THR A 21 8.612 -3.721 0.848 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.481 -2.168 0.850 1.00 0.00 H new ATOM 335 N ILE A 22 6.301 -3.197 -0.228 1.00 0.00 N ATOM 336 CA ILE A 22 5.549 -4.200 -0.971 1.00 0.00 C ATOM 337 C ILE A 22 6.392 -5.470 -1.010 1.00 0.00 C ATOM 338 O ILE A 22 7.154 -5.714 -1.944 1.00 0.00 O ATOM 339 CB ILE A 22 5.151 -3.643 -2.345 1.00 0.00 C ATOM 340 CG1 ILE A 22 4.570 -4.705 -3.281 1.00 0.00 C ATOM 341 CG2 ILE A 22 6.320 -2.960 -3.053 1.00 0.00 C ATOM 342 CD1 ILE A 22 3.400 -5.447 -2.643 1.00 0.00 C ATOM 0 H ILE A 22 7.105 -2.831 -0.738 1.00 0.00 H new ATOM 0 HA ILE A 22 4.604 -4.455 -0.491 1.00 0.00 H new ATOM 0 HB ILE A 22 4.375 -2.909 -2.128 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.239 -4.232 -4.206 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.349 -5.418 -3.549 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.989 -2.582 -4.020 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.680 -2.131 -2.444 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.126 -3.679 -3.201 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.017 -6.192 -3.341 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.736 -5.942 -1.732 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.609 -4.738 -2.399 1.00 0.00 H new ATOM 354 N LEU A 23 6.245 -6.290 0.035 1.00 0.00 N ATOM 355 CA LEU A 23 7.129 -7.418 0.276 1.00 0.00 C ATOM 356 C LEU A 23 7.007 -8.499 -0.795 1.00 0.00 C ATOM 357 O LEU A 23 7.953 -9.260 -0.988 1.00 0.00 O ATOM 358 CB LEU A 23 6.846 -7.998 1.669 1.00 0.00 C ATOM 359 CG LEU A 23 6.760 -6.917 2.751 1.00 0.00 C ATOM 360 CD1 LEU A 23 6.633 -7.569 4.120 1.00 0.00 C ATOM 361 CD2 LEU A 23 7.999 -6.034 2.807 1.00 0.00 C ATOM 0 H LEU A 23 5.509 -6.185 0.733 1.00 0.00 H new ATOM 0 HA LEU A 23 8.155 -7.054 0.229 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.910 -8.556 1.643 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.632 -8.706 1.930 1.00 0.00 H new ATOM 0 HG LEU A 23 5.893 -6.306 2.497 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.572 -6.797 4.887 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.732 -8.181 4.149 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.504 -8.197 4.306 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.879 -5.288 3.592 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.874 -6.648 3.021 1.00 0.00 H new ATOM 0 HD23 LEU A 23 8.133 -5.533 1.848 1.00 0.00 H new ATOM 373 N GLY A 24 5.869 -8.581 -1.486 1.00 0.00 N ATOM 374 CA GLY A 24 5.717 -9.515 -2.592 1.00 0.00 C ATOM 375 C GLY A 24 4.259 -9.764 -2.956 1.00 0.00 C ATOM 376 O GLY A 24 3.359 -9.142 -2.395 1.00 0.00 O ATOM 0 H GLY A 24 5.044 -8.012 -1.297 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.244 -9.128 -3.464 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.188 -10.462 -2.330 1.00 0.00 H new ATOM 380 N VAL A 25 4.028 -10.675 -3.904 1.00 0.00 N ATOM 381 CA VAL A 25 2.682 -11.079 -4.292 1.00 0.00 C ATOM 382 C VAL A 25 2.558 -12.599 -4.345 1.00 0.00 C ATOM 383 O VAL A 25 3.556 -13.322 -4.341 1.00 0.00 O ATOM 384 CB VAL A 25 2.285 -10.500 -5.657 1.00 0.00 C ATOM 385 CG1 VAL A 25 2.401 -8.977 -5.679 1.00 0.00 C ATOM 386 CG2 VAL A 25 3.142 -11.107 -6.767 1.00 0.00 C ATOM 0 H VAL A 25 4.768 -11.150 -4.421 1.00 0.00 H new ATOM 0 HA VAL A 25 2.008 -10.684 -3.532 1.00 0.00 H new ATOM 0 HB VAL A 25 1.241 -10.760 -5.830 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.112 -8.604 -6.662 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.743 -8.551 -4.921 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.431 -8.687 -5.470 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.846 -10.685 -7.727 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.192 -10.883 -6.580 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.000 -12.188 -6.787 1.00 0.00 H new ATOM 396 N SER A 26 1.308 -13.060 -4.402 1.00 0.00 N ATOM 397 CA SER A 26 0.946 -14.462 -4.502 1.00 0.00 C ATOM 398 C SER A 26 -0.384 -14.548 -5.240 1.00 0.00 C ATOM 399 O SER A 26 -1.396 -14.972 -4.685 1.00 0.00 O ATOM 400 CB SER A 26 0.847 -15.100 -3.114 1.00 0.00 C ATOM 401 OG SER A 26 2.091 -15.041 -2.447 1.00 0.00 O ATOM 0 H SER A 26 0.497 -12.442 -4.379 1.00 0.00 H new ATOM 0 HA SER A 26 1.713 -15.011 -5.049 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.088 -14.585 -2.525 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.528 -16.138 -3.207 1.00 0.00 H new ATOM 0 HG SER A 26 2.007 -15.452 -1.561 1.00 0.00 H new ATOM 407 N GLY A 27 -0.390 -14.136 -6.509 1.00 0.00 N ATOM 408 CA GLY A 27 -1.608 -14.122 -7.296 1.00 0.00 C ATOM 409 C GLY A 27 -2.445 -12.913 -6.903 1.00 0.00 C ATOM 410 O GLY A 27 -2.036 -11.780 -7.152 1.00 0.00 O ATOM 0 H GLY A 27 0.438 -13.809 -7.007 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.368 -14.083 -8.359 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.173 -15.039 -7.130 1.00 0.00 H new ATOM 414 N GLN A 28 -3.610 -13.149 -6.297 1.00 0.00 N ATOM 415 CA GLN A 28 -4.485 -12.071 -5.861 1.00 0.00 C ATOM 416 C GLN A 28 -3.985 -11.547 -4.523 1.00 0.00 C ATOM 417 O GLN A 28 -4.333 -10.438 -4.134 1.00 0.00 O ATOM 418 CB GLN A 28 -5.923 -12.575 -5.717 1.00 0.00 C ATOM 419 CG GLN A 28 -6.627 -12.647 -7.079 1.00 0.00 C ATOM 420 CD GLN A 28 -5.739 -13.216 -8.180 1.00 0.00 C ATOM 421 OE1 GLN A 28 -5.574 -14.427 -8.296 1.00 0.00 O ATOM 422 NE2 GLN A 28 -5.161 -12.337 -8.993 1.00 0.00 N ATOM 0 H GLN A 28 -3.966 -14.084 -6.098 1.00 0.00 H new ATOM 0 HA GLN A 28 -4.474 -11.272 -6.603 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.920 -13.562 -5.254 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.478 -11.913 -5.053 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.522 -13.263 -6.987 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.956 -11.648 -7.365 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.324 -11.338 -8.863 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -4.555 -12.661 -9.747 1.00 0.00 H new ATOM 431 N GLN A 29 -3.174 -12.354 -3.833 1.00 0.00 N ATOM 432 CA GLN A 29 -2.601 -11.984 -2.561 1.00 0.00 C ATOM 433 C GLN A 29 -1.395 -11.080 -2.770 1.00 0.00 C ATOM 434 O GLN A 29 -0.718 -11.140 -3.798 1.00 0.00 O ATOM 435 CB GLN A 29 -2.182 -13.267 -1.851 1.00 0.00 C ATOM 436 CG GLN A 29 -3.360 -13.912 -1.132 1.00 0.00 C ATOM 437 CD GLN A 29 -3.620 -13.291 0.233 1.00 0.00 C ATOM 438 OE1 GLN A 29 -3.737 -12.079 0.372 1.00 0.00 O ATOM 439 NE2 GLN A 29 -3.713 -14.127 1.261 1.00 0.00 N ATOM 0 H GLN A 29 -2.903 -13.284 -4.153 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.328 -11.438 -1.961 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -1.768 -13.968 -2.576 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.392 -13.047 -1.133 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -4.254 -13.816 -1.748 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -3.169 -14.978 -1.012 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.611 -15.131 1.113 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.886 -13.765 2.199 1.00 0.00 H new ATOM 448 N VAL A 30 -1.137 -10.244 -1.769 1.00 0.00 N ATOM 449 CA VAL A 30 -0.048 -9.290 -1.758 1.00 0.00 C ATOM 450 C VAL A 30 0.441 -9.178 -0.323 1.00 0.00 C ATOM 451 O VAL A 30 -0.329 -8.795 0.555 1.00 0.00 O ATOM 452 CB VAL A 30 -0.563 -7.929 -2.253 1.00 0.00 C ATOM 453 CG1 VAL A 30 0.593 -6.947 -2.381 1.00 0.00 C ATOM 454 CG2 VAL A 30 -1.232 -8.032 -3.625 1.00 0.00 C ATOM 0 H VAL A 30 -1.701 -10.216 -0.920 1.00 0.00 H new ATOM 0 HA VAL A 30 0.765 -9.609 -2.410 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.294 -7.587 -1.520 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.217 -5.986 -2.732 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.069 -6.817 -1.409 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.322 -7.334 -3.093 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.580 -7.047 -3.935 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.513 -8.408 -4.353 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.080 -8.715 -3.566 1.00 0.00 H new ATOM 464 N ARG A 31 1.711 -9.506 -0.068 1.00 0.00 N ATOM 465 CA ARG A 31 2.258 -9.363 1.274 1.00 0.00 C ATOM 466 C ARG A 31 2.828 -7.955 1.387 1.00 0.00 C ATOM 467 O ARG A 31 3.621 -7.527 0.547 1.00 0.00 O ATOM 468 CB ARG A 31 3.306 -10.440 1.579 1.00 0.00 C ATOM 469 CG ARG A 31 3.581 -10.452 3.089 1.00 0.00 C ATOM 470 CD ARG A 31 4.496 -11.599 3.512 1.00 0.00 C ATOM 471 NE ARG A 31 3.924 -12.905 3.150 1.00 0.00 N ATOM 472 CZ ARG A 31 4.362 -14.078 3.616 1.00 0.00 C ATOM 473 NH1 ARG A 31 5.386 -14.143 4.461 1.00 0.00 N ATOM 474 NH2 ARG A 31 3.769 -15.207 3.235 1.00 0.00 N ATOM 0 H ARG A 31 2.365 -9.866 -0.763 1.00 0.00 H new ATOM 0 HA ARG A 31 1.475 -9.505 2.019 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.949 -11.417 1.253 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.226 -10.238 1.030 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.035 -9.504 3.379 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.636 -10.530 3.626 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.470 -11.483 3.037 1.00 0.00 H new ATOM 0 HD3 ARG A 31 4.659 -11.558 4.589 1.00 0.00 H new ATOM 0 HE ARG A 31 3.139 -12.916 2.499 1.00 0.00 H new ATOM 0 HH11 ARG A 31 5.852 -13.288 4.765 1.00 0.00 H new ATOM 0 HH12 ARG A 31 5.706 -15.048 4.806 1.00 0.00 H new ATOM 0 HH21 ARG A 31 2.981 -15.176 2.588 1.00 0.00 H new ATOM 0 HH22 ARG A 31 4.102 -16.103 3.590 1.00 0.00 H new ATOM 488 N ILE A 32 2.418 -7.242 2.432 1.00 0.00 N ATOM 489 CA ILE A 32 2.725 -5.828 2.580 1.00 0.00 C ATOM 490 C ILE A 32 3.334 -5.585 3.953 1.00 0.00 C ATOM 491 O ILE A 32 3.096 -6.354 4.882 1.00 0.00 O ATOM 492 CB ILE A 32 1.437 -5.002 2.392 1.00 0.00 C ATOM 493 CG1 ILE A 32 0.602 -5.545 1.225 1.00 0.00 C ATOM 494 CG2 ILE A 32 1.785 -3.523 2.161 1.00 0.00 C ATOM 495 CD1 ILE A 32 -0.591 -4.652 0.875 1.00 0.00 C ATOM 0 H ILE A 32 1.865 -7.629 3.197 1.00 0.00 H new ATOM 0 HA ILE A 32 3.446 -5.519 1.823 1.00 0.00 H new ATOM 0 HB ILE A 32 0.841 -5.086 3.301 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.240 -5.650 0.347 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.241 -6.542 1.477 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.867 -2.950 2.030 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.333 -3.139 3.022 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.402 -3.430 1.267 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.141 -5.090 0.042 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.248 -4.567 1.740 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.234 -3.662 0.593 1.00 0.00 H new ATOM 507 N GLY A 33 4.122 -4.519 4.074 1.00 0.00 N ATOM 508 CA GLY A 33 4.756 -4.144 5.324 1.00 0.00 C ATOM 509 C GLY A 33 4.504 -2.673 5.612 1.00 0.00 C ATOM 510 O GLY A 33 4.287 -1.875 4.701 1.00 0.00 O ATOM 0 H GLY A 33 4.336 -3.891 3.299 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.365 -4.755 6.138 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.828 -4.334 5.269 1.00 0.00 H new ATOM 514 N ILE A 34 4.543 -2.323 6.898 1.00 0.00 N ATOM 515 CA ILE A 34 4.276 -0.975 7.375 1.00 0.00 C ATOM 516 C ILE A 34 5.273 -0.652 8.477 1.00 0.00 C ATOM 517 O ILE A 34 5.650 -1.529 9.250 1.00 0.00 O ATOM 518 CB ILE A 34 2.836 -0.892 7.905 1.00 0.00 C ATOM 519 CG1 ILE A 34 1.839 -1.359 6.836 1.00 0.00 C ATOM 520 CG2 ILE A 34 2.517 0.543 8.337 1.00 0.00 C ATOM 521 CD1 ILE A 34 0.407 -1.407 7.373 1.00 0.00 C ATOM 0 H ILE A 34 4.765 -2.981 7.645 1.00 0.00 H new ATOM 0 HA ILE A 34 4.383 -0.254 6.565 1.00 0.00 H new ATOM 0 HB ILE A 34 2.746 -1.550 8.769 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.883 -0.686 5.980 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.126 -2.348 6.479 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.494 0.592 8.711 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.206 0.848 9.125 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.623 1.212 7.483 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.266 -1.742 6.584 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.356 -2.100 8.213 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.110 -0.412 7.705 1.00 0.00 H new ATOM 533 N ASN A 35 5.708 0.602 8.545 1.00 0.00 N ATOM 534 CA ASN A 35 6.699 1.018 9.516 1.00 0.00 C ATOM 535 C ASN A 35 6.367 2.420 10.008 1.00 0.00 C ATOM 536 O ASN A 35 6.526 3.404 9.286 1.00 0.00 O ATOM 537 CB ASN A 35 8.078 0.945 8.853 1.00 0.00 C ATOM 538 CG ASN A 35 9.214 1.028 9.862 1.00 0.00 C ATOM 539 OD1 ASN A 35 9.069 1.623 10.928 1.00 0.00 O ATOM 540 ND2 ASN A 35 10.353 0.433 9.529 1.00 0.00 N ATOM 0 H ASN A 35 5.383 1.349 7.931 1.00 0.00 H new ATOM 0 HA ASN A 35 6.701 0.363 10.387 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.160 0.013 8.294 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.175 1.758 8.133 1.00 0.00 H new ATOM 0 HD21 ASN A 35 11.148 0.460 10.168 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.433 -0.051 8.635 1.00 0.00 H new ATOM 547 N ALA A 36 5.903 2.494 11.257 1.00 0.00 N ATOM 548 CA ALA A 36 5.490 3.729 11.897 1.00 0.00 C ATOM 549 C ALA A 36 5.693 3.596 13.406 1.00 0.00 C ATOM 550 O ALA A 36 5.801 2.478 13.914 1.00 0.00 O ATOM 551 CB ALA A 36 4.012 3.949 11.582 1.00 0.00 C ATOM 0 H ALA A 36 5.805 1.676 11.858 1.00 0.00 H new ATOM 0 HA ALA A 36 6.076 4.574 11.535 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.673 4.873 12.052 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.877 4.020 10.503 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.429 3.112 11.967 1.00 0.00 H new ATOM 557 N PRO A 37 5.748 4.714 14.138 1.00 0.00 N ATOM 558 CA PRO A 37 5.824 4.699 15.588 1.00 0.00 C ATOM 559 C PRO A 37 4.550 4.101 16.172 1.00 0.00 C ATOM 560 O PRO A 37 3.495 4.154 15.545 1.00 0.00 O ATOM 561 CB PRO A 37 5.987 6.167 15.992 1.00 0.00 C ATOM 562 CG PRO A 37 5.423 6.957 14.809 1.00 0.00 C ATOM 563 CD PRO A 37 5.736 6.067 13.615 1.00 0.00 C ATOM 0 HA PRO A 37 6.649 4.091 15.959 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.444 6.388 16.911 1.00 0.00 H new ATOM 0 HB3 PRO A 37 7.033 6.415 16.172 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.352 7.128 14.913 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.895 7.935 14.717 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.985 6.180 12.833 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.698 6.326 13.173 1.00 0.00 H new ATOM 571 N LYS A 38 4.629 3.523 17.374 1.00 0.00 N ATOM 572 CA LYS A 38 3.448 2.984 18.048 1.00 0.00 C ATOM 573 C LYS A 38 2.550 4.118 18.542 1.00 0.00 C ATOM 574 O LYS A 38 1.495 3.867 19.118 1.00 0.00 O ATOM 575 CB LYS A 38 3.877 2.056 19.189 1.00 0.00 C ATOM 576 CG LYS A 38 4.656 0.856 18.635 1.00 0.00 C ATOM 577 CD LYS A 38 3.755 -0.115 17.866 1.00 0.00 C ATOM 578 CE LYS A 38 3.195 -1.206 18.779 1.00 0.00 C ATOM 579 NZ LYS A 38 4.272 -2.051 19.328 1.00 0.00 N ATOM 0 H LYS A 38 5.498 3.417 17.898 1.00 0.00 H new ATOM 0 HA LYS A 38 2.865 2.395 17.340 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.496 2.604 19.899 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.999 1.708 19.734 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.448 1.212 17.977 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.138 0.327 19.457 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.933 0.435 17.409 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.321 -0.573 17.055 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.637 -0.748 19.596 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.493 -1.825 18.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.901 -3.002 19.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.047 -2.118 18.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.629 -1.629 20.209 1.00 0.00 H new ATOM 593 N ASP A 39 2.973 5.366 18.309 1.00 0.00 N ATOM 594 CA ASP A 39 2.165 6.558 18.542 1.00 0.00 C ATOM 595 C ASP A 39 1.009 6.619 17.546 1.00 0.00 C ATOM 596 O ASP A 39 0.135 7.481 17.661 1.00 0.00 O ATOM 597 CB ASP A 39 3.044 7.797 18.396 1.00 0.00 C ATOM 598 CG ASP A 39 4.051 7.896 19.538 1.00 0.00 C ATOM 599 OD1 ASP A 39 3.652 8.373 20.621 1.00 0.00 O ATOM 600 OD2 ASP A 39 5.215 7.494 19.316 1.00 0.00 O ATOM 0 H ASP A 39 3.904 5.574 17.947 1.00 0.00 H new ATOM 0 HA ASP A 39 1.751 6.520 19.550 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.573 7.761 17.443 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.419 8.690 18.380 1.00 0.00 H new ATOM 605 N VAL A 40 1.002 5.699 16.575 1.00 0.00 N ATOM 606 CA VAL A 40 -0.062 5.564 15.593 1.00 0.00 C ATOM 607 C VAL A 40 -0.391 4.081 15.440 1.00 0.00 C ATOM 608 O VAL A 40 0.360 3.228 15.916 1.00 0.00 O ATOM 609 CB VAL A 40 0.345 6.187 14.249 1.00 0.00 C ATOM 610 CG1 VAL A 40 0.731 7.659 14.421 1.00 0.00 C ATOM 611 CG2 VAL A 40 1.539 5.486 13.613 1.00 0.00 C ATOM 0 H VAL A 40 1.752 5.019 16.454 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.948 6.100 15.933 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.527 6.079 13.604 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.015 8.076 13.455 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.118 8.214 14.820 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.571 7.737 15.111 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.782 5.968 12.666 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.397 5.548 14.283 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.294 4.439 13.434 1.00 0.00 H new ATOM 621 N ALA A 41 -1.505 3.762 14.782 1.00 0.00 N ATOM 622 CA ALA A 41 -1.959 2.384 14.684 1.00 0.00 C ATOM 623 C ALA A 41 -2.151 1.976 13.230 1.00 0.00 C ATOM 624 O ALA A 41 -2.314 2.830 12.357 1.00 0.00 O ATOM 625 CB ALA A 41 -3.254 2.227 15.476 1.00 0.00 C ATOM 0 H ALA A 41 -2.105 4.440 14.312 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.201 1.724 15.106 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.600 1.196 15.407 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.074 2.480 16.521 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.014 2.893 15.067 1.00 0.00 H new ATOM 631 N VAL A 42 -2.134 0.667 12.974 1.00 0.00 N ATOM 632 CA VAL A 42 -2.251 0.124 11.624 1.00 0.00 C ATOM 633 C VAL A 42 -3.036 -1.187 11.659 1.00 0.00 C ATOM 634 O VAL A 42 -2.723 -2.071 12.455 1.00 0.00 O ATOM 635 CB VAL A 42 -0.845 -0.105 11.024 1.00 0.00 C ATOM 636 CG1 VAL A 42 0.069 1.108 11.222 1.00 0.00 C ATOM 637 CG2 VAL A 42 -0.116 -1.292 11.653 1.00 0.00 C ATOM 0 H VAL A 42 -2.039 -0.045 13.698 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.786 0.836 10.996 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.032 -0.291 9.966 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.046 0.902 10.785 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.371 1.978 10.735 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.183 1.308 12.287 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.865 -1.403 11.191 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.004 -1.120 12.723 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.696 -2.201 11.494 1.00 0.00 H new ATOM 647 N HIS A 43 -4.054 -1.333 10.808 1.00 0.00 N ATOM 648 CA HIS A 43 -4.796 -2.588 10.692 1.00 0.00 C ATOM 649 C HIS A 43 -5.487 -2.665 9.336 1.00 0.00 C ATOM 650 O HIS A 43 -5.674 -1.641 8.683 1.00 0.00 O ATOM 651 CB HIS A 43 -5.877 -2.708 11.779 1.00 0.00 C ATOM 652 CG HIS A 43 -5.515 -2.185 13.140 1.00 0.00 C ATOM 653 ND1 HIS A 43 -4.894 -2.921 14.153 1.00 0.00 N ATOM 654 CD2 HIS A 43 -5.746 -0.914 13.583 1.00 0.00 C ATOM 655 CE1 HIS A 43 -4.761 -2.070 15.182 1.00 0.00 C ATOM 656 NE2 HIS A 43 -5.261 -0.860 14.868 1.00 0.00 N ATOM 0 H HIS A 43 -4.383 -0.594 10.187 1.00 0.00 H new ATOM 0 HA HIS A 43 -4.075 -3.398 10.807 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -6.767 -2.181 11.436 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -6.148 -3.759 11.878 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -4.603 -3.898 14.118 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -6.216 -0.112 13.034 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -4.314 -2.321 16.132 1.00 0.00 H new ATOM 664 N ARG A 44 -5.875 -3.871 8.906 1.00 0.00 N ATOM 665 CA ARG A 44 -6.666 -4.021 7.692 1.00 0.00 C ATOM 666 C ARG A 44 -8.012 -3.331 7.902 1.00 0.00 C ATOM 667 O ARG A 44 -8.441 -3.155 9.040 1.00 0.00 O ATOM 668 CB ARG A 44 -6.860 -5.500 7.351 1.00 0.00 C ATOM 669 CG ARG A 44 -5.509 -6.158 7.053 1.00 0.00 C ATOM 670 CD ARG A 44 -5.697 -7.626 6.677 1.00 0.00 C ATOM 671 NE ARG A 44 -6.241 -8.402 7.802 1.00 0.00 N ATOM 672 CZ ARG A 44 -7.006 -9.489 7.671 1.00 0.00 C ATOM 673 NH1 ARG A 44 -7.318 -9.963 6.467 1.00 0.00 N ATOM 674 NH2 ARG A 44 -7.460 -10.113 8.752 1.00 0.00 N ATOM 0 H ARG A 44 -5.654 -4.747 9.380 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.145 -3.559 6.853 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -7.346 -6.011 8.182 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -7.518 -5.598 6.488 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -5.013 -5.629 6.239 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.860 -6.081 7.926 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -6.369 -7.701 5.822 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.741 -8.050 6.369 1.00 0.00 H new ATOM 0 HE ARG A 44 -6.019 -8.089 8.747 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -6.972 -9.495 5.629 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -7.903 -10.794 6.382 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -7.224 -9.762 9.680 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -8.044 -10.943 8.654 1.00 0.00 H new ATOM 688 N GLU A 45 -8.681 -2.937 6.816 1.00 0.00 N ATOM 689 CA GLU A 45 -9.920 -2.182 6.932 1.00 0.00 C ATOM 690 C GLU A 45 -11.007 -2.972 7.668 1.00 0.00 C ATOM 691 O GLU A 45 -11.921 -2.373 8.234 1.00 0.00 O ATOM 692 CB GLU A 45 -10.382 -1.748 5.537 1.00 0.00 C ATOM 693 CG GLU A 45 -11.480 -0.690 5.626 1.00 0.00 C ATOM 694 CD GLU A 45 -12.033 -0.320 4.252 1.00 0.00 C ATOM 695 OE1 GLU A 45 -12.769 -1.154 3.682 1.00 0.00 O ATOM 696 OE2 GLU A 45 -11.719 0.797 3.783 1.00 0.00 O ATOM 0 H GLU A 45 -8.386 -3.128 5.859 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.731 -1.294 7.535 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.535 -1.351 4.977 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.751 -2.614 4.987 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -12.290 -1.060 6.255 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.084 0.203 6.110 1.00 0.00 H new ATOM 703 N GLU A 46 -10.931 -4.306 7.673 1.00 0.00 N ATOM 704 CA GLU A 46 -11.871 -5.106 8.445 1.00 0.00 C ATOM 705 C GLU A 46 -11.570 -4.967 9.933 1.00 0.00 C ATOM 706 O GLU A 46 -12.463 -4.659 10.721 1.00 0.00 O ATOM 707 CB GLU A 46 -11.748 -6.582 8.057 1.00 0.00 C ATOM 708 CG GLU A 46 -12.295 -6.840 6.654 1.00 0.00 C ATOM 709 CD GLU A 46 -13.779 -6.479 6.558 1.00 0.00 C ATOM 710 OE1 GLU A 46 -14.510 -6.753 7.539 1.00 0.00 O ATOM 711 OE2 GLU A 46 -14.173 -5.928 5.506 1.00 0.00 O ATOM 0 H GLU A 46 -10.236 -4.844 7.156 1.00 0.00 H new ATOM 0 HA GLU A 46 -12.880 -4.753 8.235 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.702 -6.885 8.102 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -12.289 -7.195 8.778 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -11.729 -6.256 5.928 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -12.157 -7.890 6.395 1.00 0.00 H new ATOM 718 N ILE A 47 -10.310 -5.190 10.311 1.00 0.00 N ATOM 719 CA ILE A 47 -9.886 -5.162 11.704 1.00 0.00 C ATOM 720 C ILE A 47 -10.096 -3.767 12.284 1.00 0.00 C ATOM 721 O ILE A 47 -10.321 -3.610 13.481 1.00 0.00 O ATOM 722 CB ILE A 47 -8.406 -5.557 11.788 1.00 0.00 C ATOM 723 CG1 ILE A 47 -8.112 -6.863 11.040 1.00 0.00 C ATOM 724 CG2 ILE A 47 -7.966 -5.676 13.248 1.00 0.00 C ATOM 725 CD1 ILE A 47 -9.040 -8.001 11.461 1.00 0.00 C ATOM 0 H ILE A 47 -9.556 -5.395 9.655 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.480 -5.869 12.282 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.835 -4.766 11.303 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.213 -6.694 9.968 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.078 -7.156 11.221 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.914 -5.957 13.289 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.106 -4.718 13.749 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -8.565 -6.438 13.747 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -8.789 -8.902 10.901 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -8.921 -8.192 12.528 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -10.074 -7.723 11.255 1.00 0.00 H new ATOM 737 N TYR A 48 -10.019 -2.750 11.421 1.00 0.00 N ATOM 738 CA TYR A 48 -10.190 -1.366 11.818 1.00 0.00 C ATOM 739 C TYR A 48 -11.605 -1.114 12.336 1.00 0.00 C ATOM 740 O TYR A 48 -11.785 -0.379 13.302 1.00 0.00 O ATOM 741 CB TYR A 48 -9.910 -0.508 10.590 1.00 0.00 C ATOM 742 CG TYR A 48 -9.944 0.979 10.832 1.00 0.00 C ATOM 743 CD1 TYR A 48 -8.949 1.584 11.608 1.00 0.00 C ATOM 744 CD2 TYR A 48 -10.971 1.751 10.273 1.00 0.00 C ATOM 745 CE1 TYR A 48 -8.957 2.974 11.803 1.00 0.00 C ATOM 746 CE2 TYR A 48 -10.977 3.140 10.450 1.00 0.00 C ATOM 747 CZ TYR A 48 -9.965 3.760 11.209 1.00 0.00 C ATOM 748 OH TYR A 48 -9.970 5.112 11.375 1.00 0.00 O ATOM 0 H TYR A 48 -9.835 -2.873 10.425 1.00 0.00 H new ATOM 0 HA TYR A 48 -9.506 -1.118 12.629 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -8.930 -0.774 10.195 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -10.641 -0.753 9.820 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -8.174 0.981 12.057 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -11.757 1.275 9.706 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -8.193 3.440 12.407 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -11.759 3.737 10.004 1.00 0.00 H new ATOM 0 HH TYR A 48 -10.734 5.497 10.897 1.00 0.00 H new ATOM 1601 N MET C 1 8.674 -3.237 11.834 1.00 0.00 N ATOM 1602 CA MET C 1 7.701 -3.340 10.727 1.00 0.00 C ATOM 1603 C MET C 1 6.552 -4.268 11.106 1.00 0.00 C ATOM 1604 O MET C 1 6.736 -5.216 11.864 1.00 0.00 O ATOM 1605 CB MET C 1 8.394 -3.840 9.457 1.00 0.00 C ATOM 1606 CG MET C 1 7.439 -4.009 8.275 1.00 0.00 C ATOM 1607 SD MET C 1 7.925 -3.148 6.768 1.00 0.00 S ATOM 1608 CE MET C 1 9.157 -4.360 6.267 1.00 0.00 C ATOM 0 H1 MET C 1 9.637 -3.370 11.464 1.00 0.00 H new ATOM 0 H2 MET C 1 8.600 -2.298 12.275 1.00 0.00 H new ATOM 0 H3 MET C 1 8.471 -3.970 12.544 1.00 0.00 H new ATOM 0 HA MET C 1 7.291 -2.349 10.534 1.00 0.00 H new ATOM 0 HB2 MET C 1 9.182 -3.139 9.181 1.00 0.00 H new ATOM 0 HB3 MET C 1 8.875 -4.795 9.666 1.00 0.00 H new ATOM 0 HG2 MET C 1 7.345 -5.072 8.053 1.00 0.00 H new ATOM 0 HG3 MET C 1 6.451 -3.657 8.573 1.00 0.00 H new ATOM 0 HE1 MET C 1 9.617 -4.045 5.330 1.00 0.00 H new ATOM 0 HE2 MET C 1 9.923 -4.440 7.038 1.00 0.00 H new ATOM 0 HE3 MET C 1 8.678 -5.329 6.129 1.00 0.00 H new ATOM 1620 N LEU C 2 5.367 -3.984 10.568 1.00 0.00 N ATOM 1621 CA LEU C 2 4.177 -4.796 10.742 1.00 0.00 C ATOM 1622 C LEU C 2 3.793 -5.332 9.363 1.00 0.00 C ATOM 1623 O LEU C 2 3.525 -4.557 8.449 1.00 0.00 O ATOM 1624 CB LEU C 2 3.100 -3.910 11.383 1.00 0.00 C ATOM 1625 CG LEU C 2 1.783 -4.615 11.733 1.00 0.00 C ATOM 1626 CD1 LEU C 2 0.869 -4.729 10.519 1.00 0.00 C ATOM 1627 CD2 LEU C 2 2.010 -6.001 12.325 1.00 0.00 C ATOM 0 H LEU C 2 5.210 -3.161 9.986 1.00 0.00 H new ATOM 0 HA LEU C 2 4.322 -5.652 11.401 1.00 0.00 H new ATOM 0 HB2 LEU C 2 3.510 -3.472 12.293 1.00 0.00 H new ATOM 0 HB3 LEU C 2 2.881 -3.086 10.704 1.00 0.00 H new ATOM 0 HG LEU C 2 1.300 -3.993 12.487 1.00 0.00 H new ATOM 0 HD11 LEU C 2 -0.054 -5.234 10.805 1.00 0.00 H new ATOM 0 HD12 LEU C 2 0.637 -3.732 10.144 1.00 0.00 H new ATOM 0 HD13 LEU C 2 1.370 -5.303 9.739 1.00 0.00 H new ATOM 0 HD21 LEU C 2 1.049 -6.460 12.556 1.00 0.00 H new ATOM 0 HD22 LEU C 2 2.544 -6.621 11.605 1.00 0.00 H new ATOM 0 HD23 LEU C 2 2.600 -5.915 13.238 1.00 0.00 H new ATOM 1639 N ILE C 3 3.772 -6.660 9.221 1.00 0.00 N ATOM 1640 CA ILE C 3 3.555 -7.340 7.954 1.00 0.00 C ATOM 1641 C ILE C 3 2.254 -8.125 8.007 1.00 0.00 C ATOM 1642 O ILE C 3 1.911 -8.706 9.034 1.00 0.00 O ATOM 1643 CB ILE C 3 4.716 -8.311 7.682 1.00 0.00 C ATOM 1644 CG1 ILE C 3 6.028 -7.565 7.462 1.00 0.00 C ATOM 1645 CG2 ILE C 3 4.463 -9.163 6.443 1.00 0.00 C ATOM 1646 CD1 ILE C 3 6.723 -7.346 8.798 1.00 0.00 C ATOM 0 H ILE C 3 3.909 -7.300 10.003 1.00 0.00 H new ATOM 0 HA ILE C 3 3.502 -6.597 7.158 1.00 0.00 H new ATOM 0 HB ILE C 3 4.785 -8.947 8.565 1.00 0.00 H new ATOM 0 HG12 ILE C 3 6.674 -8.135 6.794 1.00 0.00 H new ATOM 0 HG13 ILE C 3 5.836 -6.607 6.979 1.00 0.00 H new ATOM 0 HG21 ILE C 3 5.306 -9.835 6.285 1.00 0.00 H new ATOM 0 HG22 ILE C 3 3.554 -9.748 6.583 1.00 0.00 H new ATOM 0 HG23 ILE C 3 4.348 -8.516 5.574 1.00 0.00 H new ATOM 0 HD11 ILE C 3 7.660 -6.813 8.638 1.00 0.00 H new ATOM 0 HD12 ILE C 3 6.078 -6.758 9.451 1.00 0.00 H new ATOM 0 HD13 ILE C 3 6.929 -8.310 9.263 1.00 0.00 H new ATOM 1658 N LEU C 4 1.534 -8.134 6.887 1.00 0.00 N ATOM 1659 CA LEU C 4 0.327 -8.930 6.740 1.00 0.00 C ATOM 1660 C LEU C 4 -0.008 -9.110 5.264 1.00 0.00 C ATOM 1661 O LEU C 4 0.590 -8.463 4.404 1.00 0.00 O ATOM 1662 CB LEU C 4 -0.819 -8.290 7.538 1.00 0.00 C ATOM 1663 CG LEU C 4 -0.953 -6.769 7.402 1.00 0.00 C ATOM 1664 CD1 LEU C 4 -1.492 -6.344 6.039 1.00 0.00 C ATOM 1665 CD2 LEU C 4 -1.931 -6.310 8.476 1.00 0.00 C ATOM 0 H LEU C 4 1.774 -7.589 6.059 1.00 0.00 H new ATOM 0 HA LEU C 4 0.486 -9.927 7.150 1.00 0.00 H new ATOM 0 HB2 LEU C 4 -1.757 -8.749 7.224 1.00 0.00 H new ATOM 0 HB3 LEU C 4 -0.683 -8.532 8.592 1.00 0.00 H new ATOM 0 HG LEU C 4 0.034 -6.320 7.510 1.00 0.00 H new ATOM 0 HD11 LEU C 4 -1.566 -5.257 6.000 1.00 0.00 H new ATOM 0 HD12 LEU C 4 -0.817 -6.690 5.257 1.00 0.00 H new ATOM 0 HD13 LEU C 4 -2.479 -6.780 5.886 1.00 0.00 H new ATOM 0 HD21 LEU C 4 -2.057 -5.229 8.416 1.00 0.00 H new ATOM 0 HD22 LEU C 4 -2.894 -6.796 8.323 1.00 0.00 H new ATOM 0 HD23 LEU C 4 -1.543 -6.576 9.459 1.00 0.00 H new ATOM 1677 N THR C 5 -0.963 -9.991 4.966 1.00 0.00 N ATOM 1678 CA THR C 5 -1.407 -10.203 3.596 1.00 0.00 C ATOM 1679 C THR C 5 -2.678 -9.415 3.334 1.00 0.00 C ATOM 1680 O THR C 5 -3.453 -9.128 4.245 1.00 0.00 O ATOM 1681 CB THR C 5 -1.685 -11.677 3.299 1.00 0.00 C ATOM 1682 OG1 THR C 5 -2.344 -12.292 4.380 1.00 0.00 O ATOM 1683 CG2 THR C 5 -0.406 -12.441 2.981 1.00 0.00 C ATOM 0 H THR C 5 -1.442 -10.568 5.658 1.00 0.00 H new ATOM 0 HA THR C 5 -0.600 -9.865 2.947 1.00 0.00 H new ATOM 0 HB THR C 5 -2.330 -11.707 2.421 1.00 0.00 H new ATOM 0 HG1 THR C 5 -2.513 -13.234 4.167 1.00 0.00 H new ATOM 0 HG21 THR C 5 -0.647 -13.484 2.776 1.00 0.00 H new ATOM 0 HG22 THR C 5 0.073 -12.000 2.107 1.00 0.00 H new ATOM 0 HG23 THR C 5 0.272 -12.386 3.833 1.00 0.00 H new ATOM 1691 N ARG C 6 -2.864 -9.076 2.059 1.00 0.00 N ATOM 1692 CA ARG C 6 -4.014 -8.352 1.542 1.00 0.00 C ATOM 1693 C ARG C 6 -4.274 -8.853 0.126 1.00 0.00 C ATOM 1694 O ARG C 6 -3.350 -9.347 -0.517 1.00 0.00 O ATOM 1695 CB ARG C 6 -3.656 -6.862 1.509 1.00 0.00 C ATOM 1696 CG ARG C 6 -3.982 -6.137 2.822 1.00 0.00 C ATOM 1697 CD ARG C 6 -5.494 -6.047 3.036 1.00 0.00 C ATOM 1698 NE ARG C 6 -6.157 -5.859 1.746 1.00 0.00 N ATOM 1699 CZ ARG C 6 -5.956 -4.815 0.937 1.00 0.00 C ATOM 1700 NH1 ARG C 6 -5.311 -3.735 1.358 1.00 0.00 N ATOM 1701 NH2 ARG C 6 -6.398 -4.844 -0.312 1.00 0.00 N ATOM 0 H ARG C 6 -2.188 -9.310 1.332 1.00 0.00 H new ATOM 0 HA ARG C 6 -4.900 -8.503 2.159 1.00 0.00 H new ATOM 0 HB2 ARG C 6 -2.593 -6.754 1.295 1.00 0.00 H new ATOM 0 HB3 ARG C 6 -4.195 -6.383 0.692 1.00 0.00 H new ATOM 0 HG2 ARG C 6 -3.523 -6.666 3.657 1.00 0.00 H new ATOM 0 HG3 ARG C 6 -3.553 -5.135 2.805 1.00 0.00 H new ATOM 0 HD2 ARG C 6 -5.859 -6.955 3.516 1.00 0.00 H new ATOM 0 HD3 ARG C 6 -5.729 -5.217 3.703 1.00 0.00 H new ATOM 0 HE ARG C 6 -6.818 -6.574 1.443 1.00 0.00 H new ATOM 0 HH11 ARG C 6 -4.959 -3.692 2.314 1.00 0.00 H new ATOM 0 HH12 ARG C 6 -5.167 -2.948 0.725 1.00 0.00 H new ATOM 0 HH21 ARG C 6 -6.894 -5.665 -0.659 1.00 0.00 H new ATOM 0 HH22 ARG C 6 -6.243 -4.045 -0.927 1.00 0.00 H new ATOM 1715 N LYS C 7 -5.505 -8.727 -0.372 1.00 0.00 N ATOM 1716 CA LYS C 7 -5.794 -9.103 -1.751 1.00 0.00 C ATOM 1717 C LYS C 7 -6.384 -7.941 -2.530 1.00 0.00 C ATOM 1718 O LYS C 7 -6.866 -6.964 -1.957 1.00 0.00 O ATOM 1719 CB LYS C 7 -6.776 -10.271 -1.869 1.00 0.00 C ATOM 1720 CG LYS C 7 -6.310 -11.596 -1.289 1.00 0.00 C ATOM 1721 CD LYS C 7 -7.321 -12.629 -1.792 1.00 0.00 C ATOM 1722 CE LYS C 7 -7.017 -14.029 -1.282 1.00 0.00 C ATOM 1723 NZ LYS C 7 -7.126 -14.102 0.188 1.00 0.00 N ATOM 0 H LYS C 7 -6.305 -8.373 0.152 1.00 0.00 H new ATOM 0 HA LYS C 7 -4.831 -9.404 -2.163 1.00 0.00 H new ATOM 0 HB2 LYS C 7 -7.706 -9.989 -1.376 1.00 0.00 H new ATOM 0 HB3 LYS C 7 -7.007 -10.420 -2.924 1.00 0.00 H new ATOM 0 HG2 LYS C 7 -5.300 -11.838 -1.621 1.00 0.00 H new ATOM 0 HG3 LYS C 7 -6.288 -11.564 -0.200 1.00 0.00 H new ATOM 0 HD2 LYS C 7 -8.323 -12.339 -1.475 1.00 0.00 H new ATOM 0 HD3 LYS C 7 -7.321 -12.634 -2.882 1.00 0.00 H new ATOM 0 HE2 LYS C 7 -7.707 -14.741 -1.735 1.00 0.00 H new ATOM 0 HE3 LYS C 7 -6.012 -14.319 -1.589 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 -7.081 -15.096 0.491 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 -6.343 -13.573 0.621 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 -8.031 -13.689 0.490 1.00 0.00 H new ATOM 1737 N VAL C 8 -6.337 -8.080 -3.855 1.00 0.00 N ATOM 1738 CA VAL C 8 -6.838 -7.097 -4.799 1.00 0.00 C ATOM 1739 C VAL C 8 -8.272 -6.675 -4.481 1.00 0.00 C ATOM 1740 O VAL C 8 -9.199 -7.482 -4.570 1.00 0.00 O ATOM 1741 CB VAL C 8 -6.688 -7.632 -6.218 1.00 0.00 C ATOM 1742 CG1 VAL C 8 -5.196 -7.643 -6.538 1.00 0.00 C ATOM 1743 CG2 VAL C 8 -7.218 -9.052 -6.417 1.00 0.00 C ATOM 0 H VAL C 8 -5.938 -8.903 -4.307 1.00 0.00 H new ATOM 0 HA VAL C 8 -6.241 -6.189 -4.711 1.00 0.00 H new ATOM 0 HB VAL C 8 -7.276 -6.986 -6.871 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -5.043 -8.021 -7.549 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -4.801 -6.630 -6.466 1.00 0.00 H new ATOM 0 HG13 VAL C 8 -4.676 -8.286 -5.828 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -7.071 -9.353 -7.454 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -6.680 -9.736 -5.761 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -8.281 -9.080 -6.178 1.00 0.00 H new ATOM 1753 N GLY C 9 -8.454 -5.403 -4.113 1.00 0.00 N ATOM 1754 CA GLY C 9 -9.770 -4.806 -3.915 1.00 0.00 C ATOM 1755 C GLY C 9 -10.070 -4.469 -2.453 1.00 0.00 C ATOM 1756 O GLY C 9 -10.893 -3.598 -2.181 1.00 0.00 O ATOM 0 H GLY C 9 -7.683 -4.757 -3.944 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -9.842 -3.897 -4.512 1.00 0.00 H new ATOM 0 HA3 GLY C 9 -10.532 -5.492 -4.286 1.00 0.00 H new ATOM 1760 N GLU C 10 -9.410 -5.153 -1.513 1.00 0.00 N ATOM 1761 CA GLU C 10 -9.561 -4.901 -0.081 1.00 0.00 C ATOM 1762 C GLU C 10 -8.861 -3.592 0.320 1.00 0.00 C ATOM 1763 O GLU C 10 -8.340 -2.870 -0.532 1.00 0.00 O ATOM 1764 CB GLU C 10 -8.991 -6.095 0.686 1.00 0.00 C ATOM 1765 CG GLU C 10 -9.858 -7.348 0.594 1.00 0.00 C ATOM 1766 CD GLU C 10 -9.155 -8.541 1.249 1.00 0.00 C ATOM 1767 OE1 GLU C 10 -7.905 -8.503 1.344 1.00 0.00 O ATOM 1768 OE2 GLU C 10 -9.869 -9.486 1.653 1.00 0.00 O ATOM 0 H GLU C 10 -8.752 -5.902 -1.729 1.00 0.00 H new ATOM 0 HA GLU C 10 -10.617 -4.786 0.165 1.00 0.00 H new ATOM 0 HB2 GLU C 10 -7.996 -6.322 0.302 1.00 0.00 H new ATOM 0 HB3 GLU C 10 -8.873 -5.821 1.734 1.00 0.00 H new ATOM 0 HG2 GLU C 10 -10.816 -7.170 1.083 1.00 0.00 H new ATOM 0 HG3 GLU C 10 -10.071 -7.573 -0.451 1.00 0.00 H new ATOM 1775 N SER C 11 -8.846 -3.283 1.623 1.00 0.00 N ATOM 1776 CA SER C 11 -8.328 -2.018 2.133 1.00 0.00 C ATOM 1777 C SER C 11 -7.609 -2.166 3.478 1.00 0.00 C ATOM 1778 O SER C 11 -7.566 -3.254 4.058 1.00 0.00 O ATOM 1779 CB SER C 11 -9.494 -1.035 2.268 1.00 0.00 C ATOM 1780 OG SER C 11 -10.097 -0.809 1.015 1.00 0.00 O ATOM 0 H SER C 11 -9.194 -3.908 2.350 1.00 0.00 H new ATOM 0 HA SER C 11 -7.585 -1.649 1.426 1.00 0.00 H new ATOM 0 HB2 SER C 11 -10.231 -1.430 2.967 1.00 0.00 H new ATOM 0 HB3 SER C 11 -9.136 -0.092 2.681 1.00 0.00 H new ATOM 0 HG SER C 11 -10.841 -0.180 1.119 1.00 0.00 H new ATOM 1786 N ILE C 12 -7.036 -1.059 3.969 1.00 0.00 N ATOM 1787 CA ILE C 12 -6.232 -0.971 5.191 1.00 0.00 C ATOM 1788 C ILE C 12 -6.421 0.432 5.779 1.00 0.00 C ATOM 1789 O ILE C 12 -6.996 1.304 5.131 1.00 0.00 O ATOM 1790 CB ILE C 12 -4.729 -1.195 4.900 1.00 0.00 C ATOM 1791 CG1 ILE C 12 -4.496 -2.276 3.841 1.00 0.00 C ATOM 1792 CG2 ILE C 12 -3.951 -1.582 6.161 1.00 0.00 C ATOM 1793 CD1 ILE C 12 -3.011 -2.480 3.554 1.00 0.00 C ATOM 0 H ILE C 12 -7.126 -0.158 3.500 1.00 0.00 H new ATOM 0 HA ILE C 12 -6.558 -1.745 5.886 1.00 0.00 H new ATOM 0 HB ILE C 12 -4.364 -0.239 4.524 1.00 0.00 H new ATOM 0 HG12 ILE C 12 -4.933 -3.216 4.179 1.00 0.00 H new ATOM 0 HG13 ILE C 12 -5.009 -1.999 2.920 1.00 0.00 H new ATOM 0 HG21 ILE C 12 -2.901 -1.729 5.910 1.00 0.00 H new ATOM 0 HG22 ILE C 12 -4.039 -0.787 6.901 1.00 0.00 H new ATOM 0 HG23 ILE C 12 -4.359 -2.506 6.571 1.00 0.00 H new ATOM 0 HD11 ILE C 12 -2.890 -3.255 2.797 1.00 0.00 H new ATOM 0 HD12 ILE C 12 -2.579 -1.548 3.191 1.00 0.00 H new ATOM 0 HD13 ILE C 12 -2.502 -2.783 4.469 1.00 0.00 H new ATOM 1805 N ASN C 13 -5.942 0.662 7.006 1.00 0.00 N ATOM 1806 CA ASN C 13 -6.023 1.962 7.663 1.00 0.00 C ATOM 1807 C ASN C 13 -4.764 2.229 8.481 1.00 0.00 C ATOM 1808 O ASN C 13 -4.122 1.298 8.964 1.00 0.00 O ATOM 1809 CB ASN C 13 -7.252 2.000 8.576 1.00 0.00 C ATOM 1810 CG ASN C 13 -8.539 2.060 7.772 1.00 0.00 C ATOM 1811 OD1 ASN C 13 -9.202 1.049 7.578 1.00 0.00 O ATOM 1812 ND2 ASN C 13 -8.897 3.247 7.299 1.00 0.00 N ATOM 0 H ASN C 13 -5.486 -0.055 7.570 1.00 0.00 H new ATOM 0 HA ASN C 13 -6.111 2.735 6.900 1.00 0.00 H new ATOM 0 HB2 ASN C 13 -7.261 1.116 9.214 1.00 0.00 H new ATOM 0 HB3 ASN C 13 -7.192 2.867 9.234 1.00 0.00 H new ATOM 0 HD21 ASN C 13 -9.752 3.341 6.752 1.00 0.00 H new ATOM 0 HD22 ASN C 13 -8.317 4.065 7.483 1.00 0.00 H new ATOM 1819 N ILE C 14 -4.423 3.512 8.632 1.00 0.00 N ATOM 1820 CA ILE C 14 -3.236 3.941 9.359 1.00 0.00 C ATOM 1821 C ILE C 14 -3.496 5.287 10.034 1.00 0.00 C ATOM 1822 O ILE C 14 -4.223 6.122 9.502 1.00 0.00 O ATOM 1823 CB ILE C 14 -2.050 4.087 8.389 1.00 0.00 C ATOM 1824 CG1 ILE C 14 -1.721 2.743 7.717 1.00 0.00 C ATOM 1825 CG2 ILE C 14 -0.817 4.624 9.131 1.00 0.00 C ATOM 1826 CD1 ILE C 14 -0.534 2.835 6.760 1.00 0.00 C ATOM 0 H ILE C 14 -4.970 4.283 8.249 1.00 0.00 H new ATOM 0 HA ILE C 14 -3.000 3.192 10.115 1.00 0.00 H new ATOM 0 HB ILE C 14 -2.332 4.798 7.612 1.00 0.00 H new ATOM 0 HG12 ILE C 14 -1.506 2.001 8.486 1.00 0.00 H new ATOM 0 HG13 ILE C 14 -2.596 2.391 7.171 1.00 0.00 H new ATOM 0 HG21 ILE C 14 0.014 4.722 8.432 1.00 0.00 H new ATOM 0 HG22 ILE C 14 -1.047 5.599 9.561 1.00 0.00 H new ATOM 0 HG23 ILE C 14 -0.542 3.932 9.927 1.00 0.00 H new ATOM 0 HD11 ILE C 14 -0.348 1.857 6.316 1.00 0.00 H new ATOM 0 HD12 ILE C 14 -0.756 3.555 5.973 1.00 0.00 H new ATOM 0 HD13 ILE C 14 0.351 3.158 7.308 1.00 0.00 H new ATOM 1838 N GLY C 15 -2.896 5.491 11.213 1.00 0.00 N ATOM 1839 CA GLY C 15 -2.880 6.775 11.910 1.00 0.00 C ATOM 1840 C GLY C 15 -4.260 7.377 12.181 1.00 0.00 C ATOM 1841 O GLY C 15 -4.347 8.557 12.512 1.00 0.00 O ATOM 0 H GLY C 15 -2.401 4.754 11.715 1.00 0.00 H new ATOM 0 HA2 GLY C 15 -2.361 6.650 12.860 1.00 0.00 H new ATOM 0 HA3 GLY C 15 -2.299 7.485 11.321 1.00 0.00 H new ATOM 1845 N ASP C 16 -5.329 6.582 12.051 1.00 0.00 N ATOM 1846 CA ASP C 16 -6.708 7.012 12.269 1.00 0.00 C ATOM 1847 C ASP C 16 -7.142 8.205 11.402 1.00 0.00 C ATOM 1848 O ASP C 16 -8.204 8.777 11.650 1.00 0.00 O ATOM 1849 CB ASP C 16 -6.941 7.261 13.762 1.00 0.00 C ATOM 1850 CG ASP C 16 -6.559 6.041 14.598 1.00 0.00 C ATOM 1851 OD1 ASP C 16 -7.235 4.997 14.443 1.00 0.00 O ATOM 1852 OD2 ASP C 16 -5.595 6.161 15.386 1.00 0.00 O ATOM 0 H ASP C 16 -5.253 5.600 11.785 1.00 0.00 H new ATOM 0 HA ASP C 16 -7.352 6.197 11.938 1.00 0.00 H new ATOM 0 HB2 ASP C 16 -6.356 8.122 14.084 1.00 0.00 H new ATOM 0 HB3 ASP C 16 -7.989 7.506 13.932 1.00 0.00 H new ATOM 1857 N ASP C 17 -6.344 8.592 10.401 1.00 0.00 N ATOM 1858 CA ASP C 17 -6.703 9.649 9.460 1.00 0.00 C ATOM 1859 C ASP C 17 -6.284 9.266 8.040 1.00 0.00 C ATOM 1860 O ASP C 17 -6.381 10.087 7.129 1.00 0.00 O ATOM 1861 CB ASP C 17 -6.055 10.987 9.826 1.00 0.00 C ATOM 1862 CG ASP C 17 -6.424 11.462 11.229 1.00 0.00 C ATOM 1863 OD1 ASP C 17 -7.609 11.819 11.425 1.00 0.00 O ATOM 1864 OD2 ASP C 17 -5.525 11.468 12.097 1.00 0.00 O ATOM 0 H ASP C 17 -5.429 8.177 10.223 1.00 0.00 H new ATOM 0 HA ASP C 17 -7.786 9.764 9.512 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -4.972 10.892 9.753 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -6.358 11.742 9.101 1.00 0.00 H new ATOM 1869 N ILE C 18 -5.818 8.028 7.845 1.00 0.00 N ATOM 1870 CA ILE C 18 -5.378 7.548 6.547 1.00 0.00 C ATOM 1871 C ILE C 18 -6.042 6.210 6.262 1.00 0.00 C ATOM 1872 O ILE C 18 -6.297 5.412 7.166 1.00 0.00 O ATOM 1873 CB ILE C 18 -3.846 7.423 6.494 1.00 0.00 C ATOM 1874 CG1 ILE C 18 -3.130 8.755 6.759 1.00 0.00 C ATOM 1875 CG2 ILE C 18 -3.415 6.916 5.117 1.00 0.00 C ATOM 1876 CD1 ILE C 18 -2.842 8.944 8.249 1.00 0.00 C ATOM 0 H ILE C 18 -5.738 7.335 8.589 1.00 0.00 H new ATOM 0 HA ILE C 18 -5.670 8.267 5.781 1.00 0.00 H new ATOM 0 HB ILE C 18 -3.565 6.723 7.280 1.00 0.00 H new ATOM 0 HG12 ILE C 18 -2.195 8.786 6.199 1.00 0.00 H new ATOM 0 HG13 ILE C 18 -3.745 9.579 6.398 1.00 0.00 H new ATOM 0 HG21 ILE C 18 -2.329 6.829 5.085 1.00 0.00 H new ATOM 0 HG22 ILE C 18 -3.863 5.939 4.932 1.00 0.00 H new ATOM 0 HG23 ILE C 18 -3.746 7.617 4.351 1.00 0.00 H new ATOM 0 HD11 ILE C 18 -2.335 9.896 8.404 1.00 0.00 H new ATOM 0 HD12 ILE C 18 -3.780 8.938 8.804 1.00 0.00 H new ATOM 0 HD13 ILE C 18 -2.206 8.132 8.602 1.00 0.00 H new ATOM 1888 N THR C 19 -6.320 5.980 4.982 1.00 0.00 N ATOM 1889 CA THR C 19 -6.902 4.750 4.489 1.00 0.00 C ATOM 1890 C THR C 19 -6.126 4.352 3.246 1.00 0.00 C ATOM 1891 O THR C 19 -5.662 5.215 2.500 1.00 0.00 O ATOM 1892 CB THR C 19 -8.382 4.970 4.170 1.00 0.00 C ATOM 1893 OG1 THR C 19 -9.058 5.454 5.311 1.00 0.00 O ATOM 1894 CG2 THR C 19 -9.059 3.675 3.722 1.00 0.00 C ATOM 0 H THR C 19 -6.140 6.664 4.247 1.00 0.00 H new ATOM 0 HA THR C 19 -6.843 3.956 5.234 1.00 0.00 H new ATOM 0 HB THR C 19 -8.433 5.697 3.359 1.00 0.00 H new ATOM 0 HG1 THR C 19 -10.004 5.593 5.096 1.00 0.00 H new ATOM 0 HG21 THR C 19 -10.109 3.870 3.504 1.00 0.00 H new ATOM 0 HG22 THR C 19 -8.566 3.298 2.826 1.00 0.00 H new ATOM 0 HG23 THR C 19 -8.985 2.932 4.516 1.00 0.00 H new ATOM 1902 N ILE C 20 -5.986 3.047 3.021 1.00 0.00 N ATOM 1903 CA ILE C 20 -5.229 2.517 1.898 1.00 0.00 C ATOM 1904 C ILE C 20 -6.086 1.465 1.210 1.00 0.00 C ATOM 1905 O ILE C 20 -6.886 0.792 1.858 1.00 0.00 O ATOM 1906 CB ILE C 20 -3.919 1.895 2.405 1.00 0.00 C ATOM 1907 CG1 ILE C 20 -3.102 2.865 3.273 1.00 0.00 C ATOM 1908 CG2 ILE C 20 -3.068 1.399 1.238 1.00 0.00 C ATOM 1909 CD1 ILE C 20 -2.550 4.049 2.480 1.00 0.00 C ATOM 0 H ILE C 20 -6.397 2.328 3.617 1.00 0.00 H new ATOM 0 HA ILE C 20 -4.979 3.310 1.194 1.00 0.00 H new ATOM 0 HB ILE C 20 -4.200 1.050 3.034 1.00 0.00 H new ATOM 0 HG12 ILE C 20 -3.730 3.237 4.083 1.00 0.00 H new ATOM 0 HG13 ILE C 20 -2.275 2.325 3.733 1.00 0.00 H new ATOM 0 HG21 ILE C 20 -2.145 0.962 1.620 1.00 0.00 H new ATOM 0 HG22 ILE C 20 -3.622 0.645 0.679 1.00 0.00 H new ATOM 0 HG23 ILE C 20 -2.829 2.235 0.581 1.00 0.00 H new ATOM 0 HD11 ILE C 20 -1.982 4.699 3.145 1.00 0.00 H new ATOM 0 HD12 ILE C 20 -1.898 3.683 1.687 1.00 0.00 H new ATOM 0 HD13 ILE C 20 -3.375 4.610 2.042 1.00 0.00 H new ATOM 1921 N THR C 21 -5.913 1.328 -0.101 1.00 0.00 N ATOM 1922 CA THR C 21 -6.664 0.378 -0.901 1.00 0.00 C ATOM 1923 C THR C 21 -5.717 -0.225 -1.923 1.00 0.00 C ATOM 1924 O THR C 21 -4.774 0.421 -2.367 1.00 0.00 O ATOM 1925 CB THR C 21 -7.828 1.096 -1.598 1.00 0.00 C ATOM 1926 OG1 THR C 21 -8.553 1.868 -0.668 1.00 0.00 O ATOM 1927 CG2 THR C 21 -8.790 0.099 -2.241 1.00 0.00 C ATOM 0 H THR C 21 -5.243 1.878 -0.638 1.00 0.00 H new ATOM 0 HA THR C 21 -7.080 -0.411 -0.274 1.00 0.00 H new ATOM 0 HB THR C 21 -7.398 1.734 -2.370 1.00 0.00 H new ATOM 0 HG1 THR C 21 -9.292 2.322 -1.125 1.00 0.00 H new ATOM 0 HG21 THR C 21 -9.603 0.639 -2.726 1.00 0.00 H new ATOM 0 HG22 THR C 21 -8.256 -0.496 -2.982 1.00 0.00 H new ATOM 0 HG23 THR C 21 -9.198 -0.559 -1.474 1.00 0.00 H new ATOM 1935 N ILE C 22 -5.976 -1.472 -2.294 1.00 0.00 N ATOM 1936 CA ILE C 22 -5.161 -2.174 -3.264 1.00 0.00 C ATOM 1937 C ILE C 22 -6.066 -2.349 -4.481 1.00 0.00 C ATOM 1938 O ILE C 22 -7.110 -2.993 -4.387 1.00 0.00 O ATOM 1939 CB ILE C 22 -4.646 -3.452 -2.585 1.00 0.00 C ATOM 1940 CG1 ILE C 22 -3.127 -3.516 -2.533 1.00 0.00 C ATOM 1941 CG2 ILE C 22 -5.200 -4.724 -3.197 1.00 0.00 C ATOM 1942 CD1 ILE C 22 -2.478 -3.563 -3.909 1.00 0.00 C ATOM 0 H ILE C 22 -6.755 -2.020 -1.930 1.00 0.00 H new ATOM 0 HA ILE C 22 -4.260 -1.667 -3.609 1.00 0.00 H new ATOM 0 HB ILE C 22 -5.021 -3.390 -1.563 1.00 0.00 H new ATOM 0 HG12 ILE C 22 -2.752 -2.647 -1.992 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -2.827 -4.398 -1.967 1.00 0.00 H new ATOM 0 HG21 ILE C 22 -4.795 -5.588 -2.670 1.00 0.00 H new ATOM 0 HG22 ILE C 22 -6.287 -4.725 -3.114 1.00 0.00 H new ATOM 0 HG23 ILE C 22 -4.917 -4.775 -4.248 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -1.394 -3.608 -3.799 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -2.825 -4.446 -4.445 1.00 0.00 H new ATOM 0 HD13 ILE C 22 -2.749 -2.669 -4.470 1.00 0.00 H new ATOM 1954 N LEU C 23 -5.687 -1.782 -5.629 1.00 0.00 N ATOM 1955 CA LEU C 23 -6.613 -1.696 -6.748 1.00 0.00 C ATOM 1956 C LEU C 23 -6.494 -2.889 -7.688 1.00 0.00 C ATOM 1957 O LEU C 23 -7.435 -3.186 -8.422 1.00 0.00 O ATOM 1958 CB LEU C 23 -6.408 -0.380 -7.506 1.00 0.00 C ATOM 1959 CG LEU C 23 -6.349 0.844 -6.586 1.00 0.00 C ATOM 1960 CD1 LEU C 23 -6.434 2.107 -7.429 1.00 0.00 C ATOM 1961 CD2 LEU C 23 -7.495 0.896 -5.578 1.00 0.00 C ATOM 0 H LEU C 23 -4.764 -1.385 -5.802 1.00 0.00 H new ATOM 0 HA LEU C 23 -7.624 -1.716 -6.340 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -5.484 -0.439 -8.081 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -7.220 -0.250 -8.221 1.00 0.00 H new ATOM 0 HG LEU C 23 -5.410 0.771 -6.037 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -6.393 2.981 -6.780 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -5.598 2.135 -8.128 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -7.372 2.112 -7.984 1.00 0.00 H new ATOM 0 HD21 LEU C 23 -7.394 1.787 -4.958 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -8.446 0.930 -6.110 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -7.464 0.008 -4.946 1.00 0.00 H new ATOM 1973 N GLY C 24 -5.349 -3.580 -7.675 1.00 0.00 N ATOM 1974 CA GLY C 24 -5.222 -4.820 -8.427 1.00 0.00 C ATOM 1975 C GLY C 24 -3.773 -5.245 -8.617 1.00 0.00 C ATOM 1976 O GLY C 24 -2.853 -4.617 -8.087 1.00 0.00 O ATOM 0 H GLY C 24 -4.513 -3.303 -7.160 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -5.764 -5.611 -7.909 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -5.692 -4.698 -9.403 1.00 0.00 H new ATOM 1980 N VAL C 25 -3.577 -6.323 -9.381 1.00 0.00 N ATOM 1981 CA VAL C 25 -2.265 -6.925 -9.581 1.00 0.00 C ATOM 1982 C VAL C 25 -2.092 -7.386 -11.025 1.00 0.00 C ATOM 1983 O VAL C 25 -3.017 -7.925 -11.635 1.00 0.00 O ATOM 1984 CB VAL C 25 -2.129 -8.089 -8.588 1.00 0.00 C ATOM 1985 CG1 VAL C 25 -3.182 -9.174 -8.830 1.00 0.00 C ATOM 1986 CG2 VAL C 25 -0.740 -8.716 -8.645 1.00 0.00 C ATOM 0 H VAL C 25 -4.329 -6.801 -9.878 1.00 0.00 H new ATOM 0 HA VAL C 25 -1.477 -6.195 -9.397 1.00 0.00 H new ATOM 0 HB VAL C 25 -2.287 -7.663 -7.597 1.00 0.00 H new ATOM 0 HG11 VAL C 25 -3.049 -9.978 -8.106 1.00 0.00 H new ATOM 0 HG12 VAL C 25 -4.178 -8.746 -8.718 1.00 0.00 H new ATOM 0 HG13 VAL C 25 -3.069 -9.572 -9.838 1.00 0.00 H new ATOM 0 HG21 VAL C 25 -0.681 -9.536 -7.929 1.00 0.00 H new ATOM 0 HG22 VAL C 25 -0.554 -9.097 -9.649 1.00 0.00 H new ATOM 0 HG23 VAL C 25 0.009 -7.964 -8.398 1.00 0.00 H new ATOM 1996 N SER C 26 -0.891 -7.170 -11.571 1.00 0.00 N ATOM 1997 CA SER C 26 -0.524 -7.555 -12.928 1.00 0.00 C ATOM 1998 C SER C 26 0.978 -7.817 -12.941 1.00 0.00 C ATOM 1999 O SER C 26 1.764 -6.889 -12.747 1.00 0.00 O ATOM 2000 CB SER C 26 -0.842 -6.426 -13.913 1.00 0.00 C ATOM 2001 OG SER C 26 -2.212 -6.093 -13.859 1.00 0.00 O ATOM 0 H SER C 26 -0.133 -6.712 -11.066 1.00 0.00 H new ATOM 0 HA SER C 26 -1.085 -8.441 -13.226 1.00 0.00 H new ATOM 0 HB2 SER C 26 -0.239 -5.549 -13.677 1.00 0.00 H new ATOM 0 HB3 SER C 26 -0.576 -6.733 -14.925 1.00 0.00 H new ATOM 0 HG SER C 26 -2.398 -5.369 -14.493 1.00 0.00 H new ATOM 2007 N GLY C 27 1.394 -9.066 -13.168 1.00 0.00 N ATOM 2008 CA GLY C 27 2.797 -9.429 -13.036 1.00 0.00 C ATOM 2009 C GLY C 27 3.282 -9.037 -11.644 1.00 0.00 C ATOM 2010 O GLY C 27 2.537 -9.161 -10.671 1.00 0.00 O ATOM 0 H GLY C 27 0.780 -9.833 -13.442 1.00 0.00 H new ATOM 0 HA2 GLY C 27 2.925 -10.500 -13.192 1.00 0.00 H new ATOM 0 HA3 GLY C 27 3.390 -8.923 -13.798 1.00 0.00 H new ATOM 2014 N GLN C 28 4.524 -8.563 -11.528 1.00 0.00 N ATOM 2015 CA GLN C 28 5.026 -8.072 -10.252 1.00 0.00 C ATOM 2016 C GLN C 28 4.519 -6.666 -9.949 1.00 0.00 C ATOM 2017 O GLN C 28 4.768 -6.160 -8.854 1.00 0.00 O ATOM 2018 CB GLN C 28 6.550 -8.062 -10.237 1.00 0.00 C ATOM 2019 CG GLN C 28 7.131 -9.471 -10.353 1.00 0.00 C ATOM 2020 CD GLN C 28 6.435 -10.474 -9.436 1.00 0.00 C ATOM 2021 OE1 GLN C 28 6.265 -10.233 -8.245 1.00 0.00 O ATOM 2022 NE2 GLN C 28 6.023 -11.613 -9.986 1.00 0.00 N ATOM 0 H GLN C 28 5.192 -8.511 -12.297 1.00 0.00 H new ATOM 0 HA GLN C 28 4.655 -8.752 -9.485 1.00 0.00 H new ATOM 0 HB2 GLN C 28 6.917 -7.449 -11.060 1.00 0.00 H new ATOM 0 HB3 GLN C 28 6.901 -7.600 -9.314 1.00 0.00 H new ATOM 0 HG2 GLN C 28 7.047 -9.810 -11.385 1.00 0.00 H new ATOM 0 HG3 GLN C 28 8.194 -9.442 -10.113 1.00 0.00 H new ATOM 0 HE21 GLN C 28 6.178 -11.785 -10.979 1.00 0.00 H new ATOM 0 HE22 GLN C 28 5.552 -12.314 -9.414 1.00 0.00 H new ATOM 2031 N GLN C 29 3.824 -6.034 -10.902 1.00 0.00 N ATOM 2032 CA GLN C 29 3.284 -4.700 -10.716 1.00 0.00 C ATOM 2033 C GLN C 29 2.014 -4.793 -9.883 1.00 0.00 C ATOM 2034 O GLN C 29 1.311 -5.807 -9.903 1.00 0.00 O ATOM 2035 CB GLN C 29 2.970 -4.081 -12.082 1.00 0.00 C ATOM 2036 CG GLN C 29 2.978 -2.551 -12.009 1.00 0.00 C ATOM 2037 CD GLN C 29 4.310 -1.962 -12.467 1.00 0.00 C ATOM 2038 OE1 GLN C 29 4.949 -1.221 -11.731 1.00 0.00 O ATOM 2039 NE2 GLN C 29 4.735 -2.296 -13.681 1.00 0.00 N ATOM 0 H GLN C 29 3.626 -6.439 -11.817 1.00 0.00 H new ATOM 0 HA GLN C 29 4.011 -4.072 -10.201 1.00 0.00 H new ATOM 0 HB2 GLN C 29 3.704 -4.417 -12.814 1.00 0.00 H new ATOM 0 HB3 GLN C 29 1.995 -4.427 -12.426 1.00 0.00 H new ATOM 0 HG2 GLN C 29 2.174 -2.155 -12.629 1.00 0.00 H new ATOM 0 HG3 GLN C 29 2.776 -2.236 -10.985 1.00 0.00 H new ATOM 0 HE21 GLN C 29 4.174 -2.916 -14.265 1.00 0.00 H new ATOM 0 HE22 GLN C 29 5.622 -1.932 -14.029 1.00 0.00 H new ATOM 2048 N VAL C 30 1.713 -3.722 -9.143 1.00 0.00 N ATOM 2049 CA VAL C 30 0.575 -3.674 -8.244 1.00 0.00 C ATOM 2050 C VAL C 30 0.047 -2.244 -8.230 1.00 0.00 C ATOM 2051 O VAL C 30 0.784 -1.330 -7.864 1.00 0.00 O ATOM 2052 CB VAL C 30 1.066 -4.081 -6.847 1.00 0.00 C ATOM 2053 CG1 VAL C 30 -0.091 -4.124 -5.864 1.00 0.00 C ATOM 2054 CG2 VAL C 30 1.717 -5.468 -6.842 1.00 0.00 C ATOM 0 H VAL C 30 2.261 -2.862 -9.157 1.00 0.00 H new ATOM 0 HA VAL C 30 -0.222 -4.347 -8.559 1.00 0.00 H new ATOM 0 HB VAL C 30 1.802 -3.332 -6.556 1.00 0.00 H new ATOM 0 HG11 VAL C 30 0.278 -4.414 -4.880 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -0.553 -3.139 -5.802 1.00 0.00 H new ATOM 0 HG13 VAL C 30 -0.830 -4.850 -6.203 1.00 0.00 H new ATOM 0 HG21 VAL C 30 2.048 -5.711 -5.832 1.00 0.00 H new ATOM 0 HG22 VAL C 30 0.993 -6.211 -7.175 1.00 0.00 H new ATOM 0 HG23 VAL C 30 2.574 -5.470 -7.515 1.00 0.00 H new ATOM 2064 N ARG C 31 -1.213 -2.029 -8.626 1.00 0.00 N ATOM 2065 CA ARG C 31 -1.797 -0.692 -8.576 1.00 0.00 C ATOM 2066 C ARG C 31 -2.430 -0.508 -7.206 1.00 0.00 C ATOM 2067 O ARG C 31 -3.109 -1.411 -6.711 1.00 0.00 O ATOM 2068 CB ARG C 31 -2.817 -0.492 -9.700 1.00 0.00 C ATOM 2069 CG ARG C 31 -3.068 1.012 -9.899 1.00 0.00 C ATOM 2070 CD ARG C 31 -4.181 1.310 -10.907 1.00 0.00 C ATOM 2071 NE ARG C 31 -3.975 0.614 -12.183 1.00 0.00 N ATOM 2072 CZ ARG C 31 -3.763 1.215 -13.359 1.00 0.00 C ATOM 2073 NH1 ARG C 31 -3.664 2.538 -13.450 1.00 0.00 N ATOM 2074 NH2 ARG C 31 -3.646 0.479 -14.462 1.00 0.00 N ATOM 0 H ARG C 31 -1.837 -2.755 -8.979 1.00 0.00 H new ATOM 0 HA ARG C 31 -1.023 0.061 -8.726 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -2.448 -0.936 -10.625 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -3.750 -0.998 -9.454 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -3.326 1.461 -8.940 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -2.146 1.486 -10.235 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -5.141 1.013 -10.484 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -4.230 2.384 -11.085 1.00 0.00 H new ATOM 0 HE ARG C 31 -3.995 -0.406 -12.172 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -3.750 3.115 -12.613 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -3.502 2.976 -14.357 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -3.718 -0.537 -14.407 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -3.484 0.931 -15.362 1.00 0.00 H new ATOM 2088 N ILE C 32 -2.209 0.660 -6.598 1.00 0.00 N ATOM 2089 CA ILE C 32 -2.575 0.918 -5.215 1.00 0.00 C ATOM 2090 C ILE C 32 -3.235 2.291 -5.101 1.00 0.00 C ATOM 2091 O ILE C 32 -2.963 3.183 -5.902 1.00 0.00 O ATOM 2092 CB ILE C 32 -1.313 0.852 -4.335 1.00 0.00 C ATOM 2093 CG1 ILE C 32 -0.385 -0.291 -4.784 1.00 0.00 C ATOM 2094 CG2 ILE C 32 -1.704 0.682 -2.865 1.00 0.00 C ATOM 2095 CD1 ILE C 32 0.777 -0.533 -3.821 1.00 0.00 C ATOM 0 H ILE C 32 -1.768 1.455 -7.060 1.00 0.00 H new ATOM 0 HA ILE C 32 -3.285 0.164 -4.876 1.00 0.00 H new ATOM 0 HB ILE C 32 -0.767 1.789 -4.447 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -0.967 -1.208 -4.879 1.00 0.00 H new ATOM 0 HG13 ILE C 32 0.012 -0.062 -5.773 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -0.804 0.637 -2.252 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -2.315 1.528 -2.551 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -2.272 -0.240 -2.744 1.00 0.00 H new ATOM 0 HD11 ILE C 32 1.394 -1.351 -4.194 1.00 0.00 H new ATOM 0 HD12 ILE C 32 1.381 0.371 -3.745 1.00 0.00 H new ATOM 0 HD13 ILE C 32 0.386 -0.793 -2.837 1.00 0.00 H new ATOM 2107 N GLY C 33 -4.102 2.451 -4.100 1.00 0.00 N ATOM 2108 CA GLY C 33 -4.836 3.674 -3.819 1.00 0.00 C ATOM 2109 C GLY C 33 -4.501 4.142 -2.409 1.00 0.00 C ATOM 2110 O GLY C 33 -4.223 3.330 -1.529 1.00 0.00 O ATOM 0 H GLY C 33 -4.316 1.702 -3.442 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -4.574 4.445 -4.544 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -5.908 3.500 -3.913 1.00 0.00 H new ATOM 2114 N ILE C 34 -4.527 5.459 -2.202 1.00 0.00 N ATOM 2115 CA ILE C 34 -4.212 6.061 -0.917 1.00 0.00 C ATOM 2116 C ILE C 34 -5.202 7.185 -0.668 1.00 0.00 C ATOM 2117 O ILE C 34 -5.609 7.873 -1.604 1.00 0.00 O ATOM 2118 CB ILE C 34 -2.773 6.592 -0.922 1.00 0.00 C ATOM 2119 CG1 ILE C 34 -1.790 5.452 -1.227 1.00 0.00 C ATOM 2120 CG2 ILE C 34 -2.444 7.229 0.432 1.00 0.00 C ATOM 2121 CD1 ILE C 34 -0.342 5.934 -1.327 1.00 0.00 C ATOM 0 H ILE C 34 -4.768 6.136 -2.926 1.00 0.00 H new ATOM 0 HA ILE C 34 -4.288 5.321 -0.121 1.00 0.00 H new ATOM 0 HB ILE C 34 -2.679 7.351 -1.699 1.00 0.00 H new ATOM 0 HG12 ILE C 34 -1.864 4.695 -0.446 1.00 0.00 H new ATOM 0 HG13 ILE C 34 -2.075 4.973 -2.164 1.00 0.00 H new ATOM 0 HG21 ILE C 34 -1.420 7.603 0.419 1.00 0.00 H new ATOM 0 HG22 ILE C 34 -3.130 8.055 0.622 1.00 0.00 H new ATOM 0 HG23 ILE C 34 -2.548 6.483 1.220 1.00 0.00 H new ATOM 0 HD11 ILE C 34 0.309 5.087 -1.544 1.00 0.00 H new ATOM 0 HD12 ILE C 34 -0.258 6.670 -2.126 1.00 0.00 H new ATOM 0 HD13 ILE C 34 -0.044 6.388 -0.382 1.00 0.00 H new ATOM 2133 N ASN C 35 -5.592 7.369 0.590 1.00 0.00 N ATOM 2134 CA ASN C 35 -6.603 8.349 0.942 1.00 0.00 C ATOM 2135 C ASN C 35 -6.263 8.977 2.292 1.00 0.00 C ATOM 2136 O ASN C 35 -6.448 8.356 3.337 1.00 0.00 O ATOM 2137 CB ASN C 35 -7.952 7.632 0.925 1.00 0.00 C ATOM 2138 CG ASN C 35 -9.114 8.601 0.758 1.00 0.00 C ATOM 2139 OD1 ASN C 35 -9.156 9.658 1.379 1.00 0.00 O ATOM 2140 ND2 ASN C 35 -10.065 8.230 -0.094 1.00 0.00 N ATOM 0 H ASN C 35 -5.218 6.847 1.383 1.00 0.00 H new ATOM 0 HA ASN C 35 -6.644 9.175 0.232 1.00 0.00 H new ATOM 0 HB2 ASN C 35 -7.966 6.906 0.112 1.00 0.00 H new ATOM 0 HB3 ASN C 35 -8.077 7.074 1.853 1.00 0.00 H new ATOM 0 HD21 ASN C 35 -10.871 8.834 -0.253 1.00 0.00 H new ATOM 0 HD22 ASN C 35 -9.988 7.341 -0.589 1.00 0.00 H new ATOM 2147 N ALA C 36 -5.766 10.212 2.252 1.00 0.00 N ATOM 2148 CA ALA C 36 -5.351 10.956 3.435 1.00 0.00 C ATOM 2149 C ALA C 36 -5.579 12.449 3.209 1.00 0.00 C ATOM 2150 O ALA C 36 -5.671 12.888 2.060 1.00 0.00 O ATOM 2151 CB ALA C 36 -3.861 10.700 3.665 1.00 0.00 C ATOM 0 H ALA C 36 -5.639 10.730 1.382 1.00 0.00 H new ATOM 0 HA ALA C 36 -5.930 10.635 4.301 1.00 0.00 H new ATOM 0 HB1 ALA C 36 -3.529 11.248 4.547 1.00 0.00 H new ATOM 0 HB2 ALA C 36 -3.694 9.634 3.817 1.00 0.00 H new ATOM 0 HB3 ALA C 36 -3.296 11.035 2.795 1.00 0.00 H new ATOM 2157 N PRO C 37 -5.674 13.244 4.283 1.00 0.00 N ATOM 2158 CA PRO C 37 -5.766 14.690 4.191 1.00 0.00 C ATOM 2159 C PRO C 37 -4.465 15.280 3.652 1.00 0.00 C ATOM 2160 O PRO C 37 -3.396 14.688 3.804 1.00 0.00 O ATOM 2161 CB PRO C 37 -6.026 15.160 5.625 1.00 0.00 C ATOM 2162 CG PRO C 37 -5.483 14.037 6.510 1.00 0.00 C ATOM 2163 CD PRO C 37 -5.702 12.791 5.661 1.00 0.00 C ATOM 0 HA PRO C 37 -6.553 15.009 3.508 1.00 0.00 H new ATOM 0 HB2 PRO C 37 -5.521 16.104 5.829 1.00 0.00 H new ATOM 0 HB3 PRO C 37 -7.089 15.323 5.801 1.00 0.00 H new ATOM 0 HG2 PRO C 37 -4.429 14.184 6.746 1.00 0.00 H new ATOM 0 HG3 PRO C 37 -6.017 13.977 7.458 1.00 0.00 H new ATOM 0 HD2 PRO C 37 -4.924 12.050 5.845 1.00 0.00 H new ATOM 0 HD3 PRO C 37 -6.655 12.318 5.898 1.00 0.00 H new ATOM 2171 N LYS C 38 -4.540 16.453 3.013 1.00 0.00 N ATOM 2172 CA LYS C 38 -3.346 17.138 2.525 1.00 0.00 C ATOM 2173 C LYS C 38 -2.515 17.681 3.690 1.00 0.00 C ATOM 2174 O LYS C 38 -1.453 18.265 3.483 1.00 0.00 O ATOM 2175 CB LYS C 38 -3.741 18.262 1.561 1.00 0.00 C ATOM 2176 CG LYS C 38 -4.338 17.688 0.272 1.00 0.00 C ATOM 2177 CD LYS C 38 -3.297 16.973 -0.593 1.00 0.00 C ATOM 2178 CE LYS C 38 -2.688 17.892 -1.654 1.00 0.00 C ATOM 2179 NZ LYS C 38 -1.889 18.980 -1.055 1.00 0.00 N ATOM 0 H LYS C 38 -5.414 16.944 2.824 1.00 0.00 H new ATOM 0 HA LYS C 38 -2.729 16.420 1.984 1.00 0.00 H new ATOM 0 HB2 LYS C 38 -4.465 18.921 2.041 1.00 0.00 H new ATOM 0 HB3 LYS C 38 -2.867 18.868 1.324 1.00 0.00 H new ATOM 0 HG2 LYS C 38 -5.136 16.990 0.525 1.00 0.00 H new ATOM 0 HG3 LYS C 38 -4.791 18.494 -0.304 1.00 0.00 H new ATOM 0 HD2 LYS C 38 -2.504 16.584 0.045 1.00 0.00 H new ATOM 0 HD3 LYS C 38 -3.761 16.116 -1.082 1.00 0.00 H new ATOM 0 HE2 LYS C 38 -2.057 17.305 -2.322 1.00 0.00 H new ATOM 0 HE3 LYS C 38 -3.485 18.321 -2.262 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 -1.296 19.419 -1.788 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 -2.526 19.696 -0.650 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 -1.282 18.592 -0.305 1.00 0.00 H new ATOM 2193 N ASP C 39 -3.006 17.483 4.918 1.00 0.00 N ATOM 2194 CA ASP C 39 -2.275 17.774 6.142 1.00 0.00 C ATOM 2195 C ASP C 39 -1.100 16.804 6.307 1.00 0.00 C ATOM 2196 O ASP C 39 -0.269 16.979 7.195 1.00 0.00 O ATOM 2197 CB ASP C 39 -3.228 17.657 7.333 1.00 0.00 C ATOM 2198 CG ASP C 39 -4.268 18.773 7.326 1.00 0.00 C ATOM 2199 OD1 ASP C 39 -3.942 19.870 7.832 1.00 0.00 O ATOM 2200 OD2 ASP C 39 -5.382 18.523 6.814 1.00 0.00 O ATOM 0 H ASP C 39 -3.940 17.109 5.085 1.00 0.00 H new ATOM 0 HA ASP C 39 -1.876 18.787 6.092 1.00 0.00 H new ATOM 0 HB2 ASP C 39 -3.730 16.690 7.306 1.00 0.00 H new ATOM 0 HB3 ASP C 39 -2.658 17.694 8.262 1.00 0.00 H new ATOM 2205 N VAL C 40 -1.043 15.781 5.446 1.00 0.00 N ATOM 2206 CA VAL C 40 0.035 14.803 5.407 1.00 0.00 C ATOM 2207 C VAL C 40 0.387 14.543 3.946 1.00 0.00 C ATOM 2208 O VAL C 40 -0.337 14.967 3.048 1.00 0.00 O ATOM 2209 CB VAL C 40 -0.367 13.505 6.129 1.00 0.00 C ATOM 2210 CG1 VAL C 40 -0.834 13.788 7.555 1.00 0.00 C ATOM 2211 CG2 VAL C 40 -1.508 12.777 5.416 1.00 0.00 C ATOM 0 H VAL C 40 -1.764 15.612 4.744 1.00 0.00 H new ATOM 0 HA VAL C 40 0.909 15.191 5.931 1.00 0.00 H new ATOM 0 HB VAL C 40 0.526 12.880 6.131 1.00 0.00 H new ATOM 0 HG11 VAL C 40 -1.111 12.852 8.040 1.00 0.00 H new ATOM 0 HG12 VAL C 40 -0.027 14.261 8.115 1.00 0.00 H new ATOM 0 HG13 VAL C 40 -1.697 14.453 7.530 1.00 0.00 H new ATOM 0 HG21 VAL C 40 -1.757 11.867 5.962 1.00 0.00 H new ATOM 0 HG22 VAL C 40 -2.383 13.426 5.374 1.00 0.00 H new ATOM 0 HG23 VAL C 40 -1.198 12.519 4.403 1.00 0.00 H new ATOM 2221 N ALA C 41 1.497 13.844 3.686 1.00 0.00 N ATOM 2222 CA ALA C 41 1.961 13.641 2.324 1.00 0.00 C ATOM 2223 C ALA C 41 2.038 12.157 1.986 1.00 0.00 C ATOM 2224 O ALA C 41 2.092 11.315 2.880 1.00 0.00 O ATOM 2225 CB ALA C 41 3.318 14.324 2.159 1.00 0.00 C ATOM 0 H ALA C 41 2.083 13.414 4.402 1.00 0.00 H new ATOM 0 HA ALA C 41 1.250 14.085 1.627 1.00 0.00 H new ATOM 0 HB1 ALA C 41 3.677 14.179 1.140 1.00 0.00 H new ATOM 0 HB2 ALA C 41 3.215 15.391 2.359 1.00 0.00 H new ATOM 0 HB3 ALA C 41 4.031 13.891 2.860 1.00 0.00 H new ATOM 2231 N VAL C 42 2.042 11.838 0.688 1.00 0.00 N ATOM 2232 CA VAL C 42 2.124 10.462 0.221 1.00 0.00 C ATOM 2233 C VAL C 42 2.916 10.417 -1.081 1.00 0.00 C ATOM 2234 O VAL C 42 2.631 11.183 -1.999 1.00 0.00 O ATOM 2235 CB VAL C 42 0.713 9.871 0.019 1.00 0.00 C ATOM 2236 CG1 VAL C 42 -0.164 10.063 1.256 1.00 0.00 C ATOM 2237 CG2 VAL C 42 -0.039 10.504 -1.149 1.00 0.00 C ATOM 0 H VAL C 42 1.988 12.528 -0.061 1.00 0.00 H new ATOM 0 HA VAL C 42 2.634 9.859 0.972 1.00 0.00 H new ATOM 0 HB VAL C 42 0.887 8.814 -0.182 1.00 0.00 H new ATOM 0 HG11 VAL C 42 -1.149 9.634 1.074 1.00 0.00 H new ATOM 0 HG12 VAL C 42 0.297 9.565 2.109 1.00 0.00 H new ATOM 0 HG13 VAL C 42 -0.266 11.127 1.468 1.00 0.00 H new ATOM 0 HG21 VAL C 42 -1.024 10.046 -1.239 1.00 0.00 H new ATOM 0 HG22 VAL C 42 -0.151 11.574 -0.973 1.00 0.00 H new ATOM 0 HG23 VAL C 42 0.521 10.345 -2.071 1.00 0.00 H new ATOM 2247 N HIS C 43 3.910 9.529 -1.179 1.00 0.00 N ATOM 2248 CA HIS C 43 4.657 9.346 -2.419 1.00 0.00 C ATOM 2249 C HIS C 43 5.335 7.983 -2.439 1.00 0.00 C ATOM 2250 O HIS C 43 5.477 7.344 -1.398 1.00 0.00 O ATOM 2251 CB HIS C 43 5.772 10.396 -2.576 1.00 0.00 C ATOM 2252 CG HIS C 43 5.513 11.777 -2.025 1.00 0.00 C ATOM 2253 ND1 HIS C 43 4.936 12.833 -2.733 1.00 0.00 N ATOM 2254 CD2 HIS C 43 5.817 12.194 -0.761 1.00 0.00 C ATOM 2255 CE1 HIS C 43 4.905 13.864 -1.873 1.00 0.00 C ATOM 2256 NE2 HIS C 43 5.428 13.509 -0.687 1.00 0.00 N ATOM 0 H HIS C 43 4.213 8.928 -0.413 1.00 0.00 H new ATOM 0 HA HIS C 43 3.933 9.443 -3.228 1.00 0.00 H new ATOM 0 HB2 HIS C 43 6.670 10.006 -2.097 1.00 0.00 H new ATOM 0 HB3 HIS C 43 5.994 10.494 -3.639 1.00 0.00 H new ATOM 0 HD1 HIS C 43 4.608 12.823 -3.699 1.00 0.00 H new ATOM 0 HD2 HIS C 43 6.272 11.607 0.023 1.00 0.00 H new ATOM 0 HE1 HIS C 43 4.514 14.844 -2.103 1.00 0.00 H new ATOM 2264 N ARG C 44 5.759 7.534 -3.626 1.00 0.00 N ATOM 2265 CA ARG C 44 6.635 6.373 -3.717 1.00 0.00 C ATOM 2266 C ARG C 44 7.968 6.744 -3.072 1.00 0.00 C ATOM 2267 O ARG C 44 8.292 7.927 -2.968 1.00 0.00 O ATOM 2268 CB ARG C 44 6.791 5.930 -5.174 1.00 0.00 C ATOM 2269 CG ARG C 44 7.268 7.070 -6.077 1.00 0.00 C ATOM 2270 CD ARG C 44 7.418 6.584 -7.520 1.00 0.00 C ATOM 2271 NE ARG C 44 7.675 7.706 -8.431 1.00 0.00 N ATOM 2272 CZ ARG C 44 8.174 7.595 -9.668 1.00 0.00 C ATOM 2273 NH1 ARG C 44 8.509 6.412 -10.175 1.00 0.00 N ATOM 2274 NH2 ARG C 44 8.337 8.687 -10.412 1.00 0.00 N ATOM 0 H ARG C 44 5.511 7.954 -4.522 1.00 0.00 H new ATOM 0 HA ARG C 44 6.210 5.521 -3.187 1.00 0.00 H new ATOM 0 HB2 ARG C 44 7.502 5.105 -5.227 1.00 0.00 H new ATOM 0 HB3 ARG C 44 5.837 5.553 -5.541 1.00 0.00 H new ATOM 0 HG2 ARG C 44 6.557 7.895 -6.037 1.00 0.00 H new ATOM 0 HG3 ARG C 44 8.222 7.453 -5.715 1.00 0.00 H new ATOM 0 HD2 ARG C 44 8.236 5.866 -7.582 1.00 0.00 H new ATOM 0 HD3 ARG C 44 6.512 6.062 -7.827 1.00 0.00 H new ATOM 0 HE ARG C 44 7.456 8.644 -8.095 1.00 0.00 H new ATOM 0 HH11 ARG C 44 8.387 5.566 -9.619 1.00 0.00 H new ATOM 0 HH12 ARG C 44 8.888 6.351 -11.120 1.00 0.00 H new ATOM 0 HH21 ARG C 44 8.082 9.601 -10.039 1.00 0.00 H new ATOM 0 HH22 ARG C 44 8.717 8.609 -11.355 1.00 0.00 H new ATOM 2288 N GLU C 45 8.748 5.754 -2.640 1.00 0.00 N ATOM 2289 CA GLU C 45 9.981 6.021 -1.907 1.00 0.00 C ATOM 2290 C GLU C 45 10.956 6.884 -2.717 1.00 0.00 C ATOM 2291 O GLU C 45 11.810 7.548 -2.141 1.00 0.00 O ATOM 2292 CB GLU C 45 10.630 4.693 -1.494 1.00 0.00 C ATOM 2293 CG GLU C 45 11.658 4.912 -0.383 1.00 0.00 C ATOM 2294 CD GLU C 45 12.494 3.659 -0.121 1.00 0.00 C ATOM 2295 OE1 GLU C 45 13.221 3.249 -1.052 1.00 0.00 O ATOM 2296 OE2 GLU C 45 12.400 3.121 1.006 1.00 0.00 O ATOM 0 H GLU C 45 8.548 4.764 -2.785 1.00 0.00 H new ATOM 0 HA GLU C 45 9.730 6.591 -1.013 1.00 0.00 H new ATOM 0 HB2 GLU C 45 9.862 3.999 -1.153 1.00 0.00 H new ATOM 0 HB3 GLU C 45 11.113 4.235 -2.357 1.00 0.00 H new ATOM 0 HG2 GLU C 45 12.317 5.737 -0.656 1.00 0.00 H new ATOM 0 HG3 GLU C 45 11.145 5.204 0.533 1.00 0.00 H new ATOM 2303 N GLU C 46 10.839 6.877 -4.046 1.00 0.00 N ATOM 2304 CA GLU C 46 11.723 7.662 -4.900 1.00 0.00 C ATOM 2305 C GLU C 46 11.502 9.161 -4.690 1.00 0.00 C ATOM 2306 O GLU C 46 12.461 9.912 -4.517 1.00 0.00 O ATOM 2307 CB GLU C 46 11.462 7.299 -6.363 1.00 0.00 C ATOM 2308 CG GLU C 46 12.435 7.999 -7.317 1.00 0.00 C ATOM 2309 CD GLU C 46 13.892 7.624 -7.035 1.00 0.00 C ATOM 2310 OE1 GLU C 46 14.169 6.412 -6.894 1.00 0.00 O ATOM 2311 OE2 GLU C 46 14.719 8.559 -6.966 1.00 0.00 O ATOM 0 H GLU C 46 10.139 6.335 -4.552 1.00 0.00 H new ATOM 0 HA GLU C 46 12.756 7.433 -4.638 1.00 0.00 H new ATOM 0 HB2 GLU C 46 11.547 6.220 -6.488 1.00 0.00 H new ATOM 0 HB3 GLU C 46 10.440 7.571 -6.626 1.00 0.00 H new ATOM 0 HG2 GLU C 46 12.186 7.735 -8.345 1.00 0.00 H new ATOM 0 HG3 GLU C 46 12.316 9.079 -7.227 1.00 0.00 H new ATOM 2318 N ILE C 47 10.242 9.601 -4.702 1.00 0.00 N ATOM 2319 CA ILE C 47 9.925 11.021 -4.622 1.00 0.00 C ATOM 2320 C ILE C 47 10.013 11.493 -3.177 1.00 0.00 C ATOM 2321 O ILE C 47 10.268 12.666 -2.918 1.00 0.00 O ATOM 2322 CB ILE C 47 8.526 11.277 -5.186 1.00 0.00 C ATOM 2323 CG1 ILE C 47 8.320 10.598 -6.547 1.00 0.00 C ATOM 2324 CG2 ILE C 47 8.266 12.777 -5.312 1.00 0.00 C ATOM 2325 CD1 ILE C 47 9.432 10.910 -7.547 1.00 0.00 C ATOM 0 H ILE C 47 9.427 8.991 -4.766 1.00 0.00 H new ATOM 0 HA ILE C 47 10.647 11.582 -5.215 1.00 0.00 H new ATOM 0 HB ILE C 47 7.814 10.842 -4.485 1.00 0.00 H new ATOM 0 HG12 ILE C 47 8.261 9.519 -6.403 1.00 0.00 H new ATOM 0 HG13 ILE C 47 7.365 10.916 -6.964 1.00 0.00 H new ATOM 0 HG21 ILE C 47 7.266 12.940 -5.715 1.00 0.00 H new ATOM 0 HG22 ILE C 47 8.342 13.243 -4.330 1.00 0.00 H new ATOM 0 HG23 ILE C 47 9.004 13.219 -5.982 1.00 0.00 H new ATOM 0 HD11 ILE C 47 9.228 10.401 -8.489 1.00 0.00 H new ATOM 0 HD12 ILE C 47 9.476 11.986 -7.718 1.00 0.00 H new ATOM 0 HD13 ILE C 47 10.387 10.567 -7.148 1.00 0.00 H new ATOM 2337 N TYR C 48 9.798 10.581 -2.226 1.00 0.00 N ATOM 2338 CA TYR C 48 9.837 10.899 -0.810 1.00 0.00 C ATOM 2339 C TYR C 48 11.203 11.450 -0.401 1.00 0.00 C ATOM 2340 O TYR C 48 11.304 12.219 0.554 1.00 0.00 O ATOM 2341 CB TYR C 48 9.526 9.619 -0.039 1.00 0.00 C ATOM 2342 CG TYR C 48 9.620 9.772 1.458 1.00 0.00 C ATOM 2343 CD1 TYR C 48 8.580 10.383 2.174 1.00 0.00 C ATOM 2344 CD2 TYR C 48 10.758 9.303 2.127 1.00 0.00 C ATOM 2345 CE1 TYR C 48 8.668 10.504 3.567 1.00 0.00 C ATOM 2346 CE2 TYR C 48 10.853 9.426 3.518 1.00 0.00 C ATOM 2347 CZ TYR C 48 9.804 10.018 4.249 1.00 0.00 C ATOM 2348 OH TYR C 48 9.889 10.119 5.606 1.00 0.00 O ATOM 0 H TYR C 48 9.592 9.602 -2.424 1.00 0.00 H new ATOM 0 HA TYR C 48 9.102 11.672 -0.585 1.00 0.00 H new ATOM 0 HB2 TYR C 48 8.521 9.285 -0.298 1.00 0.00 H new ATOM 0 HB3 TYR C 48 10.215 8.837 -0.359 1.00 0.00 H new ATOM 0 HD1 TYR C 48 7.713 10.760 1.652 1.00 0.00 H new ATOM 0 HD2 TYR C 48 11.562 8.846 1.569 1.00 0.00 H new ATOM 0 HE1 TYR C 48 7.865 10.970 4.120 1.00 0.00 H new ATOM 0 HE2 TYR C 48 11.732 9.066 4.032 1.00 0.00 H new ATOM 0 HH TYR C 48 10.737 9.733 5.910 1.00 0.00 H new