USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 630 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 Single : A 5 SER OG : rot -50:sc= 1.24 USER MOD Single : A 6 SER OG : rot 83:sc= 1.25 USER MOD Single : A 8 MET CE :methyl -160:sc= 0 (180deg=-0.225) USER MOD Single : A 9 GLN :FLIP amide:sc= -0.148 F(o=-1.1,f=-0.15) USER MOD Single : A 13 MET CE :methyl 174:sc=-0.00935 (180deg=-0.0479) USER MOD Single : A 20 CYS SG : rot -121:sc= -5.58! USER MOD Single : A 22 LYS NZ :NH3+ -177:sc= 0.781 (180deg=0.719) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 6:sc= 0.449 USER MOD Single : A 29 ASN : amide:sc= 0.493 K(o=0.49,f=-7.1!) USER MOD Single : A 30 MET CE :methyl -158:sc= -0.175 (180deg=-0.822) USER MOD Single : A 37 ASN :FLIP amide:sc= -0.0741 F(o=-1.4!,f=-0.074) USER MOD Single : A 42 HIS : no HE2:sc= 1.07 K(o=1.1,f=-3.2!) USER MOD Single : A 43 MET CE :methyl 151:sc= -0.368 (180deg=-1.43!) USER MOD Single : A 76 GLN : amide:sc= 0.306 X(o=0.31,f=0) USER MOD Single : A 86 THR OG1 : rot 53:sc= 0.499 USER MOD Single : A 87 SER OG : rot 66:sc= 1.23 USER MOD Single : A 88 MET CE :methyl -160:sc= -0.103 (180deg=-0.604) USER MOD Single : A 91 GLN :FLIP amide:sc=-9.31e-05 F(o=-1,f=-9.3e-05) USER MOD Single : A 93 ASN : amide:sc= -0.0183 X(o=-0.018,f=0) USER MOD Single : A 94 GLN : amide:sc= -0.586 K(o=-0.59,f=-4.3!) USER MOD Single : A 97 GLN : amide:sc= -0.0623 X(o=-0.062,f=-0.12) USER MOD Single : A 102 THR OG1 : rot 148:sc= -0.963! USER MOD Single : A 103 ASN : amide:sc= -0.17 X(o=-0.17,f=-0.097) USER MOD Single : A 104 ASN :FLIP amide:sc= -4.04! C(o=-5.8!,f=-4!) USER MOD Single : A 105 ASN : amide:sc= -4.12! C(o=-4.1!,f=-7!) USER MOD ----------------------------------------------------------------- ATOM 15 N ILE A 2 -44.994 10.002 -1.803 1.00 5.46 N ATOM 16 CA ILE A 2 -43.978 9.038 -1.420 1.00 4.94 C ATOM 17 C ILE A 2 -42.611 9.701 -1.459 1.00 4.60 C ATOM 18 O ILE A 2 -42.290 10.409 -2.419 1.00 4.72 O ATOM 19 CB ILE A 2 -43.982 7.822 -2.374 1.00 4.98 C ATOM 20 CG1 ILE A 2 -45.371 7.183 -2.415 1.00 5.40 C ATOM 21 CG2 ILE A 2 -42.939 6.800 -1.948 1.00 4.52 C ATOM 22 CD1 ILE A 2 -45.482 6.033 -3.393 1.00 5.69 C ATOM 0 HA ILE A 2 -44.197 8.689 -0.411 1.00 4.94 H new ATOM 0 HB ILE A 2 -43.729 8.170 -3.375 1.00 4.98 H new ATOM 0 HG12 ILE A 2 -45.627 6.826 -1.417 1.00 5.40 H new ATOM 0 HG13 ILE A 2 -46.104 7.945 -2.679 1.00 5.40 H new ATOM 0 HG21 ILE A 2 -42.959 5.952 -2.633 1.00 4.52 H new ATOM 0 HG22 ILE A 2 -41.951 7.259 -1.967 1.00 4.52 H new ATOM 0 HG23 ILE A 2 -43.159 6.455 -0.938 1.00 4.52 H new ATOM 0 HD11 ILE A 2 -46.494 5.630 -3.367 1.00 5.69 H new ATOM 0 HD12 ILE A 2 -45.258 6.388 -4.399 1.00 5.69 H new ATOM 0 HD13 ILE A 2 -44.773 5.252 -3.118 1.00 5.69 H new ATOM 34 N ASP A 3 -41.818 9.501 -0.414 1.00 4.29 N ATOM 35 CA ASP A 3 -40.458 10.032 -0.385 1.00 4.07 C ATOM 36 C ASP A 3 -39.562 9.196 -1.292 1.00 3.76 C ATOM 37 O ASP A 3 -38.799 8.343 -0.833 1.00 3.50 O ATOM 38 CB ASP A 3 -39.901 10.042 1.041 1.00 3.99 C ATOM 39 CG ASP A 3 -38.602 10.818 1.145 1.00 4.25 C ATOM 40 OD1 ASP A 3 -37.577 10.354 0.606 1.00 4.39 O ATOM 41 OD2 ASP A 3 -38.606 11.901 1.767 1.00 4.60 O ATOM 0 H ASP A 3 -42.089 8.979 0.420 1.00 4.29 H new ATOM 0 HA ASP A 3 -40.481 11.061 -0.745 1.00 4.07 H new ATOM 0 HB2 ASP A 3 -40.638 10.480 1.714 1.00 3.99 H new ATOM 0 HB3 ASP A 3 -39.737 9.017 1.372 1.00 3.99 H new ATOM 46 N GLU A 4 -39.686 9.420 -2.587 1.00 3.88 N ATOM 47 CA GLU A 4 -38.923 8.671 -3.566 1.00 3.72 C ATOM 48 C GLU A 4 -37.452 9.071 -3.572 1.00 3.64 C ATOM 49 O GLU A 4 -36.631 8.398 -4.188 1.00 3.58 O ATOM 50 CB GLU A 4 -39.539 8.816 -4.956 1.00 4.04 C ATOM 51 CG GLU A 4 -40.898 8.147 -5.059 1.00 4.23 C ATOM 52 CD GLU A 4 -41.474 8.180 -6.462 1.00 4.68 C ATOM 53 OE1 GLU A 4 -41.195 7.249 -7.246 1.00 4.67 O ATOM 54 OE2 GLU A 4 -42.217 9.137 -6.780 1.00 5.13 O ATOM 0 H GLU A 4 -40.312 10.119 -2.986 1.00 3.88 H new ATOM 0 HA GLU A 4 -38.965 7.620 -3.279 1.00 3.72 H new ATOM 0 HB2 GLU A 4 -39.639 9.874 -5.198 1.00 4.04 H new ATOM 0 HB3 GLU A 4 -38.866 8.382 -5.696 1.00 4.04 H new ATOM 0 HG2 GLU A 4 -40.812 7.111 -4.733 1.00 4.23 H new ATOM 0 HG3 GLU A 4 -41.591 8.639 -4.377 1.00 4.23 H new ATOM 61 N SER A 5 -37.107 10.150 -2.880 1.00 3.76 N ATOM 62 CA SER A 5 -35.709 10.542 -2.777 1.00 3.85 C ATOM 63 C SER A 5 -34.921 9.439 -2.073 1.00 3.61 C ATOM 64 O SER A 5 -33.793 9.121 -2.445 1.00 3.72 O ATOM 65 CB SER A 5 -35.568 11.876 -2.034 1.00 4.10 C ATOM 66 OG SER A 5 -35.790 11.739 -0.637 1.00 4.17 O ATOM 0 H SER A 5 -37.763 10.759 -2.390 1.00 3.76 H new ATOM 0 HA SER A 5 -35.305 10.681 -3.780 1.00 3.85 H new ATOM 0 HB2 SER A 5 -34.570 12.281 -2.204 1.00 4.10 H new ATOM 0 HB3 SER A 5 -36.277 12.595 -2.444 1.00 4.10 H new ATOM 0 HG SER A 5 -36.632 11.261 -0.485 1.00 4.17 H new ATOM 72 N SER A 6 -35.561 8.838 -1.075 1.00 3.37 N ATOM 73 CA SER A 6 -34.977 7.739 -0.322 1.00 3.21 C ATOM 74 C SER A 6 -34.665 6.542 -1.223 1.00 3.07 C ATOM 75 O SER A 6 -33.532 6.039 -1.244 1.00 3.14 O ATOM 76 CB SER A 6 -35.940 7.322 0.791 1.00 3.12 C ATOM 77 OG SER A 6 -36.214 8.406 1.664 1.00 3.42 O ATOM 0 H SER A 6 -36.498 9.100 -0.768 1.00 3.37 H new ATOM 0 HA SER A 6 -34.036 8.080 0.109 1.00 3.21 H new ATOM 0 HB2 SER A 6 -36.870 6.959 0.354 1.00 3.12 H new ATOM 0 HB3 SER A 6 -35.510 6.495 1.357 1.00 3.12 H new ATOM 0 HG SER A 6 -36.915 8.970 1.275 1.00 3.42 H new ATOM 83 N VAL A 7 -35.659 6.096 -1.987 1.00 2.98 N ATOM 84 CA VAL A 7 -35.471 4.935 -2.841 1.00 2.91 C ATOM 85 C VAL A 7 -34.431 5.214 -3.915 1.00 3.12 C ATOM 86 O VAL A 7 -33.599 4.362 -4.209 1.00 3.14 O ATOM 87 CB VAL A 7 -36.788 4.439 -3.486 1.00 2.96 C ATOM 88 CG1 VAL A 7 -37.483 5.529 -4.279 1.00 3.24 C ATOM 89 CG2 VAL A 7 -36.516 3.236 -4.370 1.00 2.98 C ATOM 0 H VAL A 7 -36.588 6.516 -2.030 1.00 2.98 H new ATOM 0 HA VAL A 7 -35.113 4.135 -2.194 1.00 2.91 H new ATOM 0 HB VAL A 7 -37.459 4.150 -2.677 1.00 2.96 H new ATOM 0 HG11 VAL A 7 -38.402 5.134 -4.713 1.00 3.24 H new ATOM 0 HG12 VAL A 7 -37.722 6.363 -3.619 1.00 3.24 H new ATOM 0 HG13 VAL A 7 -36.825 5.875 -5.076 1.00 3.24 H new ATOM 0 HG21 VAL A 7 -37.449 2.896 -4.818 1.00 2.98 H new ATOM 0 HG22 VAL A 7 -35.815 3.514 -5.157 1.00 2.98 H new ATOM 0 HG23 VAL A 7 -36.088 2.433 -3.770 1.00 2.98 H new ATOM 99 N MET A 8 -34.463 6.415 -4.471 1.00 3.37 N ATOM 100 CA MET A 8 -33.487 6.818 -5.479 1.00 3.71 C ATOM 101 C MET A 8 -32.068 6.757 -4.928 1.00 3.85 C ATOM 102 O MET A 8 -31.125 6.473 -5.668 1.00 4.12 O ATOM 103 CB MET A 8 -33.791 8.219 -6.003 1.00 4.00 C ATOM 104 CG MET A 8 -35.105 8.298 -6.755 1.00 4.07 C ATOM 105 SD MET A 8 -35.439 9.948 -7.403 1.00 4.46 S ATOM 106 CE MET A 8 -37.090 9.721 -8.058 1.00 5.17 C ATOM 0 H MET A 8 -35.154 7.130 -4.243 1.00 3.37 H new ATOM 0 HA MET A 8 -33.561 6.114 -6.308 1.00 3.71 H new ATOM 0 HB2 MET A 8 -33.815 8.917 -5.166 1.00 4.00 H new ATOM 0 HB3 MET A 8 -32.983 8.538 -6.661 1.00 4.00 H new ATOM 0 HG2 MET A 8 -35.091 7.585 -7.579 1.00 4.07 H new ATOM 0 HG3 MET A 8 -35.917 8.002 -6.091 1.00 4.07 H new ATOM 0 HE1 MET A 8 -37.303 10.503 -8.787 1.00 5.17 H new ATOM 0 HE2 MET A 8 -37.159 8.746 -8.540 1.00 5.17 H new ATOM 0 HE3 MET A 8 -37.815 9.776 -7.246 1.00 5.17 H new ATOM 116 N GLN A 9 -31.921 7.015 -3.630 1.00 3.77 N ATOM 117 CA GLN A 9 -30.626 6.892 -2.970 1.00 4.01 C ATOM 118 C GLN A 9 -30.112 5.457 -3.065 1.00 3.96 C ATOM 119 O GLN A 9 -29.031 5.219 -3.602 1.00 4.33 O ATOM 120 CB GLN A 9 -30.712 7.340 -1.507 1.00 4.00 C ATOM 121 CG GLN A 9 -30.888 8.844 -1.344 1.00 4.36 C ATOM 122 CD GLN A 9 -29.686 9.637 -1.833 1.00 4.96 C ATOM 123 OE1 GLN A 9 -28.495 9.083 -1.662 1.00 5.38 O flip ATOM 124 NE2 GLN A 9 -29.826 10.752 -2.337 1.00 5.37 N flip ATOM 0 H GLN A 9 -32.681 7.310 -3.017 1.00 3.77 H new ATOM 0 HA GLN A 9 -29.920 7.546 -3.481 1.00 4.01 H new ATOM 0 HB2 GLN A 9 -31.547 6.830 -1.027 1.00 4.00 H new ATOM 0 HB3 GLN A 9 -29.807 7.029 -0.986 1.00 4.00 H new ATOM 0 HG2 GLN A 9 -31.775 9.162 -1.892 1.00 4.36 H new ATOM 0 HG3 GLN A 9 -31.064 9.072 -0.293 1.00 4.36 H new ATOM 0 HE21 GLN A 9 -30.760 11.146 -2.452 1.00 5.37 H new ATOM 0 HE22 GLN A 9 -29.008 11.282 -2.639 1.00 5.37 H new ATOM 133 N LEU A 10 -30.899 4.495 -2.575 1.00 3.56 N ATOM 134 CA LEU A 10 -30.484 3.085 -2.637 1.00 3.52 C ATOM 135 C LEU A 10 -30.456 2.576 -4.075 1.00 3.65 C ATOM 136 O LEU A 10 -29.689 1.675 -4.406 1.00 3.90 O ATOM 137 CB LEU A 10 -31.375 2.163 -1.796 1.00 3.15 C ATOM 138 CG LEU A 10 -32.719 2.720 -1.368 1.00 3.03 C ATOM 139 CD1 LEU A 10 -33.732 1.606 -1.398 1.00 2.85 C ATOM 140 CD2 LEU A 10 -32.637 3.303 0.038 1.00 3.23 C ATOM 0 H LEU A 10 -31.807 4.657 -2.140 1.00 3.56 H new ATOM 0 HA LEU A 10 -29.478 3.057 -2.218 1.00 3.52 H new ATOM 0 HB2 LEU A 10 -31.550 1.249 -2.363 1.00 3.15 H new ATOM 0 HB3 LEU A 10 -30.823 1.881 -0.900 1.00 3.15 H new ATOM 0 HG LEU A 10 -33.013 3.517 -2.051 1.00 3.03 H new ATOM 0 HD11 LEU A 10 -34.705 1.991 -1.092 1.00 2.85 H new ATOM 0 HD12 LEU A 10 -33.802 1.205 -2.409 1.00 2.85 H new ATOM 0 HD13 LEU A 10 -33.423 0.815 -0.714 1.00 2.85 H new ATOM 0 HD21 LEU A 10 -33.612 3.697 0.326 1.00 3.23 H new ATOM 0 HD22 LEU A 10 -32.340 2.523 0.739 1.00 3.23 H new ATOM 0 HD23 LEU A 10 -31.901 4.107 0.056 1.00 3.23 H new ATOM 152 N ALA A 11 -31.299 3.154 -4.919 1.00 3.56 N ATOM 153 CA ALA A 11 -31.369 2.769 -6.326 1.00 3.74 C ATOM 154 C ALA A 11 -30.056 3.068 -7.040 1.00 4.22 C ATOM 155 O ALA A 11 -29.619 2.311 -7.907 1.00 4.46 O ATOM 156 CB ALA A 11 -32.520 3.492 -7.009 1.00 3.71 C ATOM 0 H ALA A 11 -31.948 3.895 -4.654 1.00 3.56 H new ATOM 0 HA ALA A 11 -31.544 1.695 -6.379 1.00 3.74 H new ATOM 0 HB1 ALA A 11 -32.563 3.198 -8.058 1.00 3.71 H new ATOM 0 HB2 ALA A 11 -33.457 3.228 -6.519 1.00 3.71 H new ATOM 0 HB3 ALA A 11 -32.365 4.569 -6.940 1.00 3.71 H new ATOM 162 N GLU A 12 -29.438 4.182 -6.670 1.00 4.41 N ATOM 163 CA GLU A 12 -28.150 4.570 -7.236 1.00 4.92 C ATOM 164 C GLU A 12 -27.001 3.803 -6.586 1.00 5.14 C ATOM 165 O GLU A 12 -26.082 3.352 -7.267 1.00 5.60 O ATOM 166 CB GLU A 12 -27.916 6.072 -7.085 1.00 5.13 C ATOM 167 CG GLU A 12 -28.876 6.930 -7.892 1.00 5.27 C ATOM 168 CD GLU A 12 -28.830 6.616 -9.372 1.00 5.79 C ATOM 169 OE1 GLU A 12 -27.758 6.787 -9.988 1.00 6.27 O ATOM 170 OE2 GLU A 12 -29.870 6.206 -9.927 1.00 5.95 O ATOM 0 H GLU A 12 -29.808 4.835 -5.979 1.00 4.41 H new ATOM 0 HA GLU A 12 -28.177 4.320 -8.297 1.00 4.92 H new ATOM 0 HB2 GLU A 12 -28.003 6.339 -6.032 1.00 5.13 H new ATOM 0 HB3 GLU A 12 -26.895 6.303 -7.389 1.00 5.13 H new ATOM 0 HG2 GLU A 12 -29.891 6.779 -7.523 1.00 5.27 H new ATOM 0 HG3 GLU A 12 -28.634 7.982 -7.739 1.00 5.27 H new ATOM 177 N MET A 13 -27.054 3.649 -5.268 1.00 4.88 N ATOM 178 CA MET A 13 -25.985 2.964 -4.543 1.00 5.14 C ATOM 179 C MET A 13 -26.283 1.476 -4.395 1.00 4.89 C ATOM 180 O MET A 13 -25.901 0.853 -3.406 1.00 5.03 O ATOM 181 CB MET A 13 -25.761 3.587 -3.162 1.00 5.20 C ATOM 182 CG MET A 13 -26.953 3.467 -2.237 1.00 4.86 C ATOM 183 SD MET A 13 -26.640 4.153 -0.597 1.00 5.10 S ATOM 184 CE MET A 13 -28.228 3.898 0.188 1.00 5.16 C ATOM 0 H MET A 13 -27.818 3.985 -4.682 1.00 4.88 H new ATOM 0 HA MET A 13 -25.074 3.081 -5.130 1.00 5.14 H new ATOM 0 HB2 MET A 13 -24.900 3.110 -2.694 1.00 5.20 H new ATOM 0 HB3 MET A 13 -25.513 4.641 -3.285 1.00 5.20 H new ATOM 0 HG2 MET A 13 -27.806 3.979 -2.683 1.00 4.86 H new ATOM 0 HG3 MET A 13 -27.227 2.416 -2.140 1.00 4.86 H new ATOM 0 HE1 MET A 13 -28.162 4.173 1.241 1.00 5.16 H new ATOM 0 HE2 MET A 13 -28.980 4.516 -0.302 1.00 5.16 H new ATOM 0 HE3 MET A 13 -28.511 2.849 0.105 1.00 5.16 H new ATOM 194 N GLY A 14 -26.958 0.909 -5.379 1.00 4.62 N ATOM 195 CA GLY A 14 -27.281 -0.496 -5.328 1.00 4.51 C ATOM 196 C GLY A 14 -27.882 -0.994 -6.620 1.00 4.38 C ATOM 197 O GLY A 14 -27.163 -1.399 -7.533 1.00 4.75 O ATOM 0 H GLY A 14 -27.288 1.397 -6.212 1.00 4.62 H new ATOM 0 HA2 GLY A 14 -26.379 -1.066 -5.106 1.00 4.51 H new ATOM 0 HA3 GLY A 14 -27.980 -0.676 -4.512 1.00 4.51 H new ATOM 201 N PHE A 15 -29.202 -0.955 -6.692 1.00 4.09 N ATOM 202 CA PHE A 15 -29.938 -1.449 -7.844 1.00 4.04 C ATOM 203 C PHE A 15 -31.383 -0.960 -7.761 1.00 3.73 C ATOM 204 O PHE A 15 -31.815 -0.532 -6.690 1.00 3.48 O ATOM 205 CB PHE A 15 -29.847 -2.992 -7.925 1.00 4.10 C ATOM 206 CG PHE A 15 -30.250 -3.745 -6.682 1.00 4.27 C ATOM 207 CD1 PHE A 15 -29.416 -3.790 -5.574 1.00 4.36 C ATOM 208 CD2 PHE A 15 -31.447 -4.439 -6.639 1.00 4.60 C ATOM 209 CE1 PHE A 15 -29.773 -4.507 -4.449 1.00 4.78 C ATOM 210 CE2 PHE A 15 -31.809 -5.157 -5.515 1.00 5.01 C ATOM 211 CZ PHE A 15 -30.971 -5.191 -4.419 1.00 5.09 C ATOM 0 H PHE A 15 -29.795 -0.579 -5.952 1.00 4.09 H new ATOM 0 HA PHE A 15 -29.498 -1.060 -8.762 1.00 4.04 H new ATOM 0 HB2 PHE A 15 -30.474 -3.330 -8.750 1.00 4.10 H new ATOM 0 HB3 PHE A 15 -28.821 -3.263 -8.173 1.00 4.10 H new ATOM 0 HD1 PHE A 15 -28.476 -3.258 -5.592 1.00 4.36 H new ATOM 0 HD2 PHE A 15 -32.106 -4.419 -7.494 1.00 4.60 H new ATOM 0 HE1 PHE A 15 -29.115 -4.532 -3.593 1.00 4.78 H new ATOM 0 HE2 PHE A 15 -32.747 -5.691 -5.494 1.00 5.01 H new ATOM 0 HZ PHE A 15 -31.252 -5.752 -3.540 1.00 5.09 H new ATOM 221 N PRO A 16 -32.139 -0.986 -8.883 1.00 3.83 N ATOM 222 CA PRO A 16 -33.515 -0.444 -8.959 1.00 3.69 C ATOM 223 C PRO A 16 -34.448 -1.038 -7.909 1.00 3.43 C ATOM 224 O PRO A 16 -35.089 -2.065 -8.134 1.00 3.52 O ATOM 225 CB PRO A 16 -33.977 -0.845 -10.367 1.00 4.05 C ATOM 226 CG PRO A 16 -33.066 -1.952 -10.750 1.00 4.25 C ATOM 227 CD PRO A 16 -31.740 -1.558 -10.178 1.00 4.22 C ATOM 0 HA PRO A 16 -33.532 0.630 -8.772 1.00 3.69 H new ATOM 0 HB2 PRO A 16 -35.018 -1.168 -10.367 1.00 4.05 H new ATOM 0 HB3 PRO A 16 -33.903 -0.010 -11.063 1.00 4.05 H new ATOM 0 HG2 PRO A 16 -33.406 -2.905 -10.345 1.00 4.25 H new ATOM 0 HG3 PRO A 16 -33.013 -2.067 -11.833 1.00 4.25 H new ATOM 0 HD2 PRO A 16 -31.073 -2.412 -10.061 1.00 4.22 H new ATOM 0 HD3 PRO A 16 -31.222 -0.832 -10.805 1.00 4.22 H new ATOM 235 N LEU A 17 -34.524 -0.379 -6.765 1.00 3.19 N ATOM 236 CA LEU A 17 -35.300 -0.877 -5.644 1.00 3.02 C ATOM 237 C LEU A 17 -36.689 -0.243 -5.591 1.00 3.04 C ATOM 238 O LEU A 17 -37.066 0.364 -4.590 1.00 2.93 O ATOM 239 CB LEU A 17 -34.527 -0.651 -4.332 1.00 2.86 C ATOM 240 CG LEU A 17 -33.317 -1.571 -4.160 1.00 2.99 C ATOM 241 CD1 LEU A 17 -32.420 -1.092 -3.032 1.00 3.21 C ATOM 242 CD2 LEU A 17 -33.782 -2.994 -3.896 1.00 3.29 C ATOM 0 H LEU A 17 -34.054 0.509 -6.589 1.00 3.19 H new ATOM 0 HA LEU A 17 -35.451 -1.948 -5.780 1.00 3.02 H new ATOM 0 HB2 LEU A 17 -34.192 0.385 -4.293 1.00 2.86 H new ATOM 0 HB3 LEU A 17 -35.206 -0.798 -3.492 1.00 2.86 H new ATOM 0 HG LEU A 17 -32.736 -1.549 -5.082 1.00 2.99 H new ATOM 0 HD11 LEU A 17 -31.569 -1.765 -2.933 1.00 3.21 H new ATOM 0 HD12 LEU A 17 -32.063 -0.086 -3.253 1.00 3.21 H new ATOM 0 HD13 LEU A 17 -32.983 -1.080 -2.099 1.00 3.21 H new ATOM 0 HD21 LEU A 17 -32.915 -3.643 -3.775 1.00 3.29 H new ATOM 0 HD22 LEU A 17 -34.383 -3.018 -2.987 1.00 3.29 H new ATOM 0 HD23 LEU A 17 -34.382 -3.343 -4.737 1.00 3.29 H new ATOM 254 N GLU A 18 -37.456 -0.388 -6.672 1.00 3.30 N ATOM 255 CA GLU A 18 -38.844 0.063 -6.697 1.00 3.51 C ATOM 256 C GLU A 18 -39.638 -0.569 -5.556 1.00 3.51 C ATOM 257 O GLU A 18 -40.654 -0.035 -5.116 1.00 3.70 O ATOM 258 CB GLU A 18 -39.485 -0.278 -8.036 1.00 3.90 C ATOM 259 CG GLU A 18 -40.369 0.832 -8.574 1.00 4.24 C ATOM 260 CD GLU A 18 -41.844 0.535 -8.412 1.00 4.90 C ATOM 261 OE1 GLU A 18 -42.380 0.742 -7.306 1.00 5.09 O ATOM 262 OE2 GLU A 18 -42.484 0.096 -9.391 1.00 5.48 O ATOM 0 H GLU A 18 -37.137 -0.815 -7.542 1.00 3.30 H new ATOM 0 HA GLU A 18 -38.856 1.145 -6.566 1.00 3.51 H new ATOM 0 HB2 GLU A 18 -38.702 -0.494 -8.762 1.00 3.90 H new ATOM 0 HB3 GLU A 18 -40.078 -1.186 -7.927 1.00 3.90 H new ATOM 0 HG2 GLU A 18 -40.131 1.762 -8.058 1.00 4.24 H new ATOM 0 HG3 GLU A 18 -40.148 0.987 -9.630 1.00 4.24 H new ATOM 269 N ALA A 19 -39.161 -1.711 -5.081 1.00 3.41 N ATOM 270 CA ALA A 19 -39.721 -2.342 -3.897 1.00 3.49 C ATOM 271 C ALA A 19 -39.650 -1.388 -2.717 1.00 3.32 C ATOM 272 O ALA A 19 -40.559 -1.325 -1.893 1.00 3.54 O ATOM 273 CB ALA A 19 -38.967 -3.618 -3.584 1.00 3.45 C ATOM 0 H ALA A 19 -38.384 -2.221 -5.501 1.00 3.41 H new ATOM 0 HA ALA A 19 -40.766 -2.589 -4.087 1.00 3.49 H new ATOM 0 HB1 ALA A 19 -39.393 -4.084 -2.696 1.00 3.45 H new ATOM 0 HB2 ALA A 19 -39.047 -4.304 -4.427 1.00 3.45 H new ATOM 0 HB3 ALA A 19 -37.917 -3.386 -3.404 1.00 3.45 H new ATOM 279 N CYS A 20 -38.566 -0.629 -2.664 1.00 3.03 N ATOM 280 CA CYS A 20 -38.381 0.375 -1.632 1.00 2.94 C ATOM 281 C CYS A 20 -39.274 1.571 -1.891 1.00 3.13 C ATOM 282 O CYS A 20 -39.685 2.242 -0.966 1.00 3.27 O ATOM 283 CB CYS A 20 -36.944 0.862 -1.556 1.00 2.73 C ATOM 284 SG CYS A 20 -36.606 1.855 -0.084 1.00 2.75 S ATOM 0 H CYS A 20 -37.796 -0.692 -3.330 1.00 3.03 H new ATOM 0 HA CYS A 20 -38.641 -0.101 -0.686 1.00 2.94 H new ATOM 0 HB2 CYS A 20 -36.275 0.002 -1.568 1.00 2.73 H new ATOM 0 HB3 CYS A 20 -36.720 1.453 -2.444 1.00 2.73 H new ATOM 0 HG CYS A 20 -36.191 3.034 -0.442 1.00 2.75 H new ATOM 290 N ARG A 21 -39.531 1.858 -3.155 1.00 3.24 N ATOM 291 CA ARG A 21 -40.482 2.910 -3.513 1.00 3.55 C ATOM 292 C ARG A 21 -41.816 2.619 -2.812 1.00 3.89 C ATOM 293 O ARG A 21 -42.391 3.476 -2.126 1.00 4.07 O ATOM 294 CB ARG A 21 -40.638 2.955 -5.043 1.00 3.75 C ATOM 295 CG ARG A 21 -41.272 4.227 -5.590 1.00 4.17 C ATOM 296 CD ARG A 21 -42.790 4.171 -5.568 1.00 4.74 C ATOM 297 NE ARG A 21 -43.310 3.151 -6.482 1.00 5.08 N ATOM 298 CZ ARG A 21 -44.412 3.297 -7.219 1.00 5.56 C ATOM 299 NH1 ARG A 21 -45.123 4.415 -7.154 1.00 5.80 N ATOM 300 NH2 ARG A 21 -44.797 2.316 -8.025 1.00 6.10 N ATOM 0 H ARG A 21 -39.101 1.385 -3.950 1.00 3.24 H new ATOM 0 HA ARG A 21 -40.126 3.887 -3.187 1.00 3.55 H new ATOM 0 HB2 ARG A 21 -39.654 2.834 -5.497 1.00 3.75 H new ATOM 0 HB3 ARG A 21 -41.241 2.103 -5.357 1.00 3.75 H new ATOM 0 HG2 ARG A 21 -40.934 5.080 -5.002 1.00 4.17 H new ATOM 0 HG3 ARG A 21 -40.932 4.389 -6.613 1.00 4.17 H new ATOM 0 HD2 ARG A 21 -43.131 3.959 -4.555 1.00 4.74 H new ATOM 0 HD3 ARG A 21 -43.194 5.145 -5.843 1.00 4.74 H new ATOM 0 HE ARG A 21 -42.796 2.273 -6.560 1.00 5.08 H new ATOM 0 HH11 ARG A 21 -44.828 5.172 -6.537 1.00 5.80 H new ATOM 0 HH12 ARG A 21 -45.964 4.518 -7.721 1.00 5.80 H new ATOM 0 HH21 ARG A 21 -44.251 1.456 -8.079 1.00 6.10 H new ATOM 0 HH22 ARG A 21 -45.639 2.422 -8.591 1.00 6.10 H new ATOM 314 N LYS A 22 -42.258 1.374 -2.944 1.00 4.03 N ATOM 315 CA LYS A 22 -43.453 0.895 -2.260 1.00 4.43 C ATOM 316 C LYS A 22 -43.219 0.879 -0.749 1.00 4.38 C ATOM 317 O LYS A 22 -44.081 1.274 0.031 1.00 4.73 O ATOM 318 CB LYS A 22 -43.789 -0.521 -2.740 1.00 4.63 C ATOM 319 CG LYS A 22 -43.604 -0.718 -4.231 1.00 4.60 C ATOM 320 CD LYS A 22 -43.659 -2.191 -4.589 1.00 4.73 C ATOM 321 CE LYS A 22 -42.808 -2.505 -5.805 1.00 4.49 C ATOM 322 NZ LYS A 22 -43.305 -1.835 -7.037 1.00 4.77 N ATOM 0 H LYS A 22 -41.801 0.671 -3.525 1.00 4.03 H new ATOM 0 HA LYS A 22 -44.284 1.563 -2.487 1.00 4.43 H new ATOM 0 HB2 LYS A 22 -43.160 -1.235 -2.207 1.00 4.63 H new ATOM 0 HB3 LYS A 22 -44.822 -0.749 -2.478 1.00 4.63 H new ATOM 0 HG2 LYS A 22 -44.380 -0.178 -4.773 1.00 4.60 H new ATOM 0 HG3 LYS A 22 -42.647 -0.299 -4.542 1.00 4.60 H new ATOM 0 HD2 LYS A 22 -43.316 -2.785 -3.742 1.00 4.73 H new ATOM 0 HD3 LYS A 22 -44.692 -2.480 -4.783 1.00 4.73 H new ATOM 0 HE2 LYS A 22 -41.781 -2.194 -5.616 1.00 4.49 H new ATOM 0 HE3 LYS A 22 -42.791 -3.583 -5.964 1.00 4.49 H new ATOM 0 HZ1 LYS A 22 -42.720 -2.122 -7.848 1.00 4.77 H new ATOM 0 HZ2 LYS A 22 -44.293 -2.111 -7.208 1.00 4.77 H new ATOM 0 HZ3 LYS A 22 -43.249 -0.803 -6.918 1.00 4.77 H new ATOM 336 N ALA A 23 -42.031 0.421 -0.354 1.00 4.00 N ATOM 337 CA ALA A 23 -41.645 0.331 1.053 1.00 4.00 C ATOM 338 C ALA A 23 -41.660 1.689 1.733 1.00 4.05 C ATOM 339 O ALA A 23 -42.062 1.806 2.879 1.00 4.34 O ATOM 340 CB ALA A 23 -40.262 -0.273 1.173 1.00 3.66 C ATOM 0 H ALA A 23 -41.310 0.102 -1.001 1.00 4.00 H new ATOM 0 HA ALA A 23 -42.376 -0.306 1.551 1.00 4.00 H new ATOM 0 HB1 ALA A 23 -39.983 -0.336 2.225 1.00 3.66 H new ATOM 0 HB2 ALA A 23 -40.262 -1.272 0.737 1.00 3.66 H new ATOM 0 HB3 ALA A 23 -39.544 0.354 0.644 1.00 3.66 H new ATOM 346 N VAL A 24 -41.185 2.705 1.036 1.00 3.82 N ATOM 347 CA VAL A 24 -41.207 4.066 1.546 1.00 3.90 C ATOM 348 C VAL A 24 -42.637 4.491 1.844 1.00 4.37 C ATOM 349 O VAL A 24 -42.920 5.046 2.909 1.00 4.58 O ATOM 350 CB VAL A 24 -40.556 5.060 0.555 1.00 3.69 C ATOM 351 CG1 VAL A 24 -40.872 6.501 0.926 1.00 3.86 C ATOM 352 CG2 VAL A 24 -39.051 4.857 0.503 1.00 3.33 C ATOM 0 H VAL A 24 -40.775 2.613 0.106 1.00 3.82 H new ATOM 0 HA VAL A 24 -40.624 4.083 2.467 1.00 3.90 H new ATOM 0 HB VAL A 24 -40.976 4.861 -0.431 1.00 3.69 H new ATOM 0 HG11 VAL A 24 -40.400 7.173 0.210 1.00 3.86 H new ATOM 0 HG12 VAL A 24 -41.951 6.653 0.909 1.00 3.86 H new ATOM 0 HG13 VAL A 24 -40.492 6.711 1.926 1.00 3.86 H new ATOM 0 HG21 VAL A 24 -38.612 5.566 -0.200 1.00 3.33 H new ATOM 0 HG22 VAL A 24 -38.628 5.019 1.494 1.00 3.33 H new ATOM 0 HG23 VAL A 24 -38.832 3.840 0.177 1.00 3.33 H new ATOM 362 N TYR A 25 -43.542 4.211 0.916 1.00 4.58 N ATOM 363 CA TYR A 25 -44.954 4.473 1.159 1.00 5.10 C ATOM 364 C TYR A 25 -45.454 3.630 2.336 1.00 5.36 C ATOM 365 O TYR A 25 -46.189 4.117 3.195 1.00 5.71 O ATOM 366 CB TYR A 25 -45.788 4.183 -0.091 1.00 5.32 C ATOM 367 CG TYR A 25 -47.257 4.488 0.098 1.00 5.87 C ATOM 368 CD1 TYR A 25 -47.735 5.788 0.016 1.00 6.18 C ATOM 369 CD2 TYR A 25 -48.167 3.468 0.335 1.00 6.12 C ATOM 370 CE1 TYR A 25 -49.077 6.065 0.168 1.00 6.71 C ATOM 371 CE2 TYR A 25 -49.513 3.734 0.481 1.00 6.65 C ATOM 372 CZ TYR A 25 -49.944 5.064 0.492 1.00 6.94 C ATOM 373 OH TYR A 25 -51.306 5.301 0.529 1.00 7.48 O ATOM 0 H TYR A 25 -43.329 3.809 0.003 1.00 4.58 H new ATOM 0 HA TYR A 25 -45.067 5.529 1.406 1.00 5.10 H new ATOM 0 HB2 TYR A 25 -45.404 4.773 -0.923 1.00 5.32 H new ATOM 0 HB3 TYR A 25 -45.672 3.134 -0.364 1.00 5.32 H new ATOM 0 HD1 TYR A 25 -47.044 6.597 -0.170 1.00 6.18 H new ATOM 0 HD2 TYR A 25 -47.816 2.449 0.406 1.00 6.12 H new ATOM 0 HE1 TYR A 25 -49.441 7.073 0.031 1.00 6.71 H new ATOM 0 HE2 TYR A 25 -50.223 2.927 0.585 1.00 6.65 H new ATOM 0 HH TYR A 25 -51.775 4.477 0.777 1.00 7.48 H new ATOM 383 N PHE A 26 -45.025 2.373 2.371 1.00 5.24 N ATOM 384 CA PHE A 26 -45.443 1.425 3.400 1.00 5.55 C ATOM 385 C PHE A 26 -44.910 1.807 4.787 1.00 5.56 C ATOM 386 O PHE A 26 -45.628 1.701 5.783 1.00 5.98 O ATOM 387 CB PHE A 26 -44.971 0.017 3.021 1.00 5.42 C ATOM 388 CG PHE A 26 -45.373 -1.053 3.997 1.00 5.81 C ATOM 389 CD1 PHE A 26 -46.677 -1.521 4.031 1.00 6.32 C ATOM 390 CD2 PHE A 26 -44.447 -1.594 4.875 1.00 5.81 C ATOM 391 CE1 PHE A 26 -47.049 -2.507 4.922 1.00 6.79 C ATOM 392 CE2 PHE A 26 -44.815 -2.582 5.766 1.00 6.37 C ATOM 393 CZ PHE A 26 -46.117 -3.040 5.790 1.00 6.84 C ATOM 0 H PHE A 26 -44.377 1.982 1.687 1.00 5.24 H new ATOM 0 HA PHE A 26 -46.531 1.449 3.455 1.00 5.55 H new ATOM 0 HB2 PHE A 26 -45.370 -0.235 2.038 1.00 5.42 H new ATOM 0 HB3 PHE A 26 -43.885 0.022 2.932 1.00 5.42 H new ATOM 0 HD1 PHE A 26 -47.410 -1.110 3.353 1.00 6.32 H new ATOM 0 HD2 PHE A 26 -43.427 -1.239 4.862 1.00 5.81 H new ATOM 0 HE1 PHE A 26 -48.069 -2.862 4.940 1.00 6.79 H new ATOM 0 HE2 PHE A 26 -44.084 -2.997 6.444 1.00 6.37 H new ATOM 0 HZ PHE A 26 -46.406 -3.813 6.486 1.00 6.84 H new ATOM 403 N THR A 27 -43.649 2.241 4.845 1.00 5.14 N ATOM 404 CA THR A 27 -43.030 2.650 6.104 1.00 5.20 C ATOM 405 C THR A 27 -43.712 3.893 6.665 1.00 5.47 C ATOM 406 O THR A 27 -43.669 4.153 7.868 1.00 5.71 O ATOM 407 CB THR A 27 -41.521 2.939 5.947 1.00 4.75 C ATOM 408 OG1 THR A 27 -41.296 3.816 4.838 1.00 4.44 O ATOM 409 CG2 THR A 27 -40.733 1.652 5.754 1.00 4.59 C ATOM 0 H THR A 27 -43.037 2.318 4.032 1.00 5.14 H new ATOM 0 HA THR A 27 -43.153 1.814 6.793 1.00 5.20 H new ATOM 0 HB THR A 27 -41.176 3.420 6.862 1.00 4.75 H new ATOM 0 HG1 THR A 27 -42.157 4.121 4.483 1.00 4.44 H new ATOM 0 HG21 THR A 27 -39.674 1.886 5.646 1.00 4.59 H new ATOM 0 HG22 THR A 27 -40.875 1.005 6.620 1.00 4.59 H new ATOM 0 HG23 THR A 27 -41.085 1.141 4.858 1.00 4.59 H new ATOM 417 N GLY A 28 -44.350 4.648 5.777 1.00 5.48 N ATOM 418 CA GLY A 28 -45.004 5.877 6.174 1.00 5.75 C ATOM 419 C GLY A 28 -44.115 7.079 5.957 1.00 5.44 C ATOM 420 O GLY A 28 -44.217 8.069 6.681 1.00 5.64 O ATOM 0 H GLY A 28 -44.425 4.427 4.784 1.00 5.48 H new ATOM 0 HA2 GLY A 28 -45.926 5.999 5.605 1.00 5.75 H new ATOM 0 HA3 GLY A 28 -45.284 5.817 7.226 1.00 5.75 H new ATOM 424 N ASN A 29 -43.235 6.982 4.954 1.00 5.01 N ATOM 425 CA ASN A 29 -42.289 8.053 4.635 1.00 4.73 C ATOM 426 C ASN A 29 -41.394 8.343 5.835 1.00 4.74 C ATOM 427 O ASN A 29 -41.214 9.493 6.233 1.00 4.97 O ATOM 428 CB ASN A 29 -43.027 9.326 4.197 1.00 4.95 C ATOM 429 CG ASN A 29 -43.707 9.177 2.846 1.00 4.86 C ATOM 430 OD1 ASN A 29 -43.200 8.505 1.950 1.00 4.99 O ATOM 431 ND2 ASN A 29 -44.871 9.788 2.701 1.00 5.06 N ATOM 0 H ASN A 29 -43.160 6.166 4.347 1.00 5.01 H new ATOM 0 HA ASN A 29 -41.666 7.721 3.805 1.00 4.73 H new ATOM 0 HB2 ASN A 29 -43.774 9.584 4.948 1.00 4.95 H new ATOM 0 HB3 ASN A 29 -42.319 10.154 4.153 1.00 4.95 H new ATOM 0 HD21 ASN A 29 -45.382 9.711 1.821 1.00 5.06 H new ATOM 0 HD22 ASN A 29 -45.258 10.337 3.469 1.00 5.06 H new ATOM 438 N MET A 30 -40.826 7.284 6.397 1.00 4.58 N ATOM 439 CA MET A 30 -40.020 7.390 7.612 1.00 4.71 C ATOM 440 C MET A 30 -38.588 7.817 7.317 1.00 4.46 C ATOM 441 O MET A 30 -37.759 7.887 8.224 1.00 4.65 O ATOM 442 CB MET A 30 -40.015 6.060 8.362 1.00 4.89 C ATOM 443 CG MET A 30 -41.287 5.800 9.146 1.00 5.35 C ATOM 444 SD MET A 30 -41.549 7.021 10.444 1.00 5.80 S ATOM 445 CE MET A 30 -40.086 6.766 11.447 1.00 6.28 C ATOM 0 H MET A 30 -40.908 6.336 6.030 1.00 4.58 H new ATOM 0 HA MET A 30 -40.476 8.161 8.233 1.00 4.71 H new ATOM 0 HB2 MET A 30 -39.867 5.250 7.648 1.00 4.89 H new ATOM 0 HB3 MET A 30 -39.166 6.041 9.046 1.00 4.89 H new ATOM 0 HG2 MET A 30 -42.139 5.807 8.466 1.00 5.35 H new ATOM 0 HG3 MET A 30 -41.241 4.805 9.589 1.00 5.35 H new ATOM 0 HE1 MET A 30 -40.268 7.135 12.456 1.00 6.28 H new ATOM 0 HE2 MET A 30 -39.853 5.702 11.486 1.00 6.28 H new ATOM 0 HE3 MET A 30 -39.246 7.306 11.009 1.00 6.28 H new ATOM 455 N GLY A 31 -38.298 8.101 6.060 1.00 4.17 N ATOM 456 CA GLY A 31 -36.971 8.539 5.693 1.00 4.03 C ATOM 457 C GLY A 31 -36.190 7.468 4.968 1.00 3.77 C ATOM 458 O GLY A 31 -36.617 6.310 4.903 1.00 3.68 O ATOM 0 H GLY A 31 -38.959 8.036 5.286 1.00 4.17 H new ATOM 0 HA2 GLY A 31 -37.046 9.422 5.059 1.00 4.03 H new ATOM 0 HA3 GLY A 31 -36.428 8.836 6.590 1.00 4.03 H new ATOM 462 N ALA A 32 -35.037 7.853 4.448 1.00 3.73 N ATOM 463 CA ALA A 32 -34.221 6.967 3.637 1.00 3.58 C ATOM 464 C ALA A 32 -33.648 5.825 4.457 1.00 3.72 C ATOM 465 O ALA A 32 -33.700 4.675 4.041 1.00 3.56 O ATOM 466 CB ALA A 32 -33.097 7.749 2.974 1.00 3.73 C ATOM 0 H ALA A 32 -34.642 8.785 4.576 1.00 3.73 H new ATOM 0 HA ALA A 32 -34.863 6.536 2.869 1.00 3.58 H new ATOM 0 HB1 ALA A 32 -32.492 7.074 2.369 1.00 3.73 H new ATOM 0 HB2 ALA A 32 -33.521 8.526 2.338 1.00 3.73 H new ATOM 0 HB3 ALA A 32 -32.472 8.208 3.740 1.00 3.73 H new ATOM 472 N GLU A 33 -33.126 6.145 5.631 1.00 4.10 N ATOM 473 CA GLU A 33 -32.413 5.166 6.442 1.00 4.38 C ATOM 474 C GLU A 33 -33.356 4.098 6.996 1.00 4.28 C ATOM 475 O GLU A 33 -32.962 2.943 7.164 1.00 4.30 O ATOM 476 CB GLU A 33 -31.664 5.870 7.570 1.00 4.91 C ATOM 477 CG GLU A 33 -30.685 6.917 7.062 1.00 5.11 C ATOM 478 CD GLU A 33 -29.924 7.601 8.172 1.00 5.12 C ATOM 479 OE1 GLU A 33 -30.547 8.358 8.945 1.00 5.46 O ATOM 480 OE2 GLU A 33 -28.697 7.398 8.265 1.00 5.09 O ATOM 0 H GLU A 33 -33.182 7.075 6.045 1.00 4.10 H new ATOM 0 HA GLU A 33 -31.692 4.657 5.803 1.00 4.38 H new ATOM 0 HB2 GLU A 33 -32.383 6.345 8.237 1.00 4.91 H new ATOM 0 HB3 GLU A 33 -31.124 5.129 8.159 1.00 4.91 H new ATOM 0 HG2 GLU A 33 -29.977 6.444 6.381 1.00 5.11 H new ATOM 0 HG3 GLU A 33 -31.229 7.666 6.487 1.00 5.11 H new ATOM 487 N VAL A 34 -34.603 4.475 7.255 1.00 4.27 N ATOM 488 CA VAL A 34 -35.593 3.528 7.757 1.00 4.34 C ATOM 489 C VAL A 34 -36.012 2.556 6.656 1.00 4.01 C ATOM 490 O VAL A 34 -36.086 1.346 6.876 1.00 4.11 O ATOM 491 CB VAL A 34 -36.839 4.248 8.321 1.00 4.54 C ATOM 492 CG1 VAL A 34 -37.897 3.247 8.772 1.00 4.83 C ATOM 493 CG2 VAL A 34 -36.447 5.159 9.472 1.00 4.88 C ATOM 0 H VAL A 34 -34.952 5.425 7.127 1.00 4.27 H new ATOM 0 HA VAL A 34 -35.126 2.972 8.570 1.00 4.34 H new ATOM 0 HB VAL A 34 -37.268 4.854 7.523 1.00 4.54 H new ATOM 0 HG11 VAL A 34 -38.761 3.783 9.164 1.00 4.83 H new ATOM 0 HG12 VAL A 34 -38.204 2.635 7.924 1.00 4.83 H new ATOM 0 HG13 VAL A 34 -37.483 2.607 9.551 1.00 4.83 H new ATOM 0 HG21 VAL A 34 -37.335 5.659 9.859 1.00 4.88 H new ATOM 0 HG22 VAL A 34 -35.989 4.567 10.265 1.00 4.88 H new ATOM 0 HG23 VAL A 34 -35.735 5.905 9.119 1.00 4.88 H new ATOM 503 N ALA A 35 -36.262 3.078 5.464 1.00 3.68 N ATOM 504 CA ALA A 35 -36.634 2.227 4.347 1.00 3.42 C ATOM 505 C ALA A 35 -35.421 1.475 3.824 1.00 3.28 C ATOM 506 O ALA A 35 -35.545 0.380 3.276 1.00 3.21 O ATOM 507 CB ALA A 35 -37.289 3.027 3.240 1.00 3.22 C ATOM 0 H ALA A 35 -36.215 4.074 5.248 1.00 3.68 H new ATOM 0 HA ALA A 35 -37.363 1.501 4.706 1.00 3.42 H new ATOM 0 HB1 ALA A 35 -37.555 2.362 2.419 1.00 3.22 H new ATOM 0 HB2 ALA A 35 -38.188 3.509 3.623 1.00 3.22 H new ATOM 0 HB3 ALA A 35 -36.595 3.787 2.881 1.00 3.22 H new ATOM 513 N PHE A 36 -34.245 2.072 3.998 1.00 3.36 N ATOM 514 CA PHE A 36 -32.989 1.397 3.715 1.00 3.45 C ATOM 515 C PHE A 36 -32.925 0.112 4.526 1.00 3.68 C ATOM 516 O PHE A 36 -32.539 -0.936 4.021 1.00 3.69 O ATOM 517 CB PHE A 36 -31.803 2.306 4.061 1.00 3.70 C ATOM 518 CG PHE A 36 -30.455 1.685 3.815 1.00 3.98 C ATOM 519 CD1 PHE A 36 -29.988 1.489 2.524 1.00 3.93 C ATOM 520 CD2 PHE A 36 -29.653 1.301 4.879 1.00 4.38 C ATOM 521 CE1 PHE A 36 -28.747 0.922 2.301 1.00 4.29 C ATOM 522 CE2 PHE A 36 -28.411 0.736 4.660 1.00 4.71 C ATOM 523 CZ PHE A 36 -27.957 0.546 3.370 1.00 4.66 C ATOM 0 H PHE A 36 -34.139 3.029 4.336 1.00 3.36 H new ATOM 0 HA PHE A 36 -32.935 1.161 2.652 1.00 3.45 H new ATOM 0 HB2 PHE A 36 -31.880 3.223 3.476 1.00 3.70 H new ATOM 0 HB3 PHE A 36 -31.873 2.591 5.111 1.00 3.70 H new ATOM 0 HD1 PHE A 36 -30.600 1.782 1.684 1.00 3.93 H new ATOM 0 HD2 PHE A 36 -30.003 1.445 5.890 1.00 4.38 H new ATOM 0 HE1 PHE A 36 -28.395 0.773 1.291 1.00 4.29 H new ATOM 0 HE2 PHE A 36 -27.796 0.443 5.498 1.00 4.71 H new ATOM 0 HZ PHE A 36 -26.987 0.105 3.197 1.00 4.66 H new ATOM 533 N ASN A 37 -33.341 0.202 5.786 1.00 3.94 N ATOM 534 CA ASN A 37 -33.411 -0.961 6.659 1.00 4.25 C ATOM 535 C ASN A 37 -34.390 -1.991 6.104 1.00 4.16 C ATOM 536 O ASN A 37 -34.082 -3.184 6.039 1.00 4.35 O ATOM 537 CB ASN A 37 -33.836 -0.549 8.070 1.00 4.57 C ATOM 538 CG ASN A 37 -32.754 0.201 8.828 1.00 5.25 C ATOM 539 OD1 ASN A 37 -31.499 -0.134 8.567 1.00 5.69 O flip ATOM 540 ND2 ASN A 37 -33.049 1.071 9.651 1.00 5.66 N flip ATOM 0 H ASN A 37 -33.636 1.074 6.225 1.00 3.94 H new ATOM 0 HA ASN A 37 -32.418 -1.409 6.706 1.00 4.25 H new ATOM 0 HB2 ASN A 37 -34.726 0.077 8.006 1.00 4.57 H new ATOM 0 HB3 ASN A 37 -34.114 -1.440 8.633 1.00 4.57 H new ATOM 0 HD21 ASN A 37 -34.028 1.299 9.823 1.00 5.66 H new ATOM 0 HD22 ASN A 37 -32.314 1.562 10.160 1.00 5.66 H new ATOM 547 N TRP A 38 -35.563 -1.521 5.685 1.00 3.97 N ATOM 548 CA TRP A 38 -36.578 -2.404 5.128 1.00 4.01 C ATOM 549 C TRP A 38 -36.023 -3.121 3.896 1.00 3.81 C ATOM 550 O TRP A 38 -36.196 -4.338 3.720 1.00 4.02 O ATOM 551 CB TRP A 38 -37.837 -1.608 4.747 1.00 3.96 C ATOM 552 CG TRP A 38 -39.076 -2.451 4.680 1.00 4.29 C ATOM 553 CD1 TRP A 38 -39.943 -2.707 5.703 1.00 4.58 C ATOM 554 CD2 TRP A 38 -39.585 -3.151 3.538 1.00 4.67 C ATOM 555 NE1 TRP A 38 -40.961 -3.516 5.265 1.00 4.88 N ATOM 556 CE2 TRP A 38 -40.766 -3.801 3.942 1.00 4.93 C ATOM 557 CE3 TRP A 38 -39.163 -3.287 2.214 1.00 5.14 C ATOM 558 CZ2 TRP A 38 -41.523 -4.578 3.075 1.00 5.44 C ATOM 559 CZ3 TRP A 38 -39.916 -4.059 1.352 1.00 5.81 C ATOM 560 CH2 TRP A 38 -41.089 -4.693 1.786 1.00 5.87 C ATOM 0 H TRP A 38 -35.831 -0.537 5.721 1.00 3.97 H new ATOM 0 HA TRP A 38 -36.849 -3.142 5.883 1.00 4.01 H new ATOM 0 HB2 TRP A 38 -37.988 -0.810 5.475 1.00 3.96 H new ATOM 0 HB3 TRP A 38 -37.678 -1.131 3.780 1.00 3.96 H new ATOM 0 HD1 TRP A 38 -39.842 -2.328 6.709 1.00 4.58 H new ATOM 0 HE1 TRP A 38 -41.738 -3.851 5.835 1.00 4.88 H new ATOM 0 HE3 TRP A 38 -38.264 -2.797 1.870 1.00 5.14 H new ATOM 0 HZ2 TRP A 38 -42.423 -5.073 3.409 1.00 5.44 H new ATOM 0 HZ3 TRP A 38 -39.597 -4.176 0.327 1.00 5.81 H new ATOM 0 HH2 TRP A 38 -41.661 -5.284 1.086 1.00 5.87 H new ATOM 571 N ILE A 39 -35.322 -2.365 3.064 1.00 3.49 N ATOM 572 CA ILE A 39 -34.836 -2.883 1.800 1.00 3.34 C ATOM 573 C ILE A 39 -33.646 -3.816 1.989 1.00 3.60 C ATOM 574 O ILE A 39 -33.526 -4.797 1.278 1.00 3.69 O ATOM 575 CB ILE A 39 -34.483 -1.739 0.815 1.00 3.04 C ATOM 576 CG1 ILE A 39 -34.794 -2.172 -0.619 1.00 2.98 C ATOM 577 CG2 ILE A 39 -33.021 -1.315 0.923 1.00 3.21 C ATOM 578 CD1 ILE A 39 -36.228 -2.604 -0.819 1.00 3.10 C ATOM 0 H ILE A 39 -35.079 -1.391 3.244 1.00 3.49 H new ATOM 0 HA ILE A 39 -35.648 -3.466 1.365 1.00 3.34 H new ATOM 0 HB ILE A 39 -35.094 -0.877 1.083 1.00 3.04 H new ATOM 0 HG12 ILE A 39 -34.574 -1.346 -1.296 1.00 2.98 H new ATOM 0 HG13 ILE A 39 -34.133 -2.994 -0.894 1.00 2.98 H new ATOM 0 HG21 ILE A 39 -32.822 -0.512 0.214 1.00 3.21 H new ATOM 0 HG22 ILE A 39 -32.818 -0.965 1.935 1.00 3.21 H new ATOM 0 HG23 ILE A 39 -32.378 -2.166 0.697 1.00 3.21 H new ATOM 0 HD11 ILE A 39 -36.378 -2.898 -1.858 1.00 3.10 H new ATOM 0 HD12 ILE A 39 -36.447 -3.450 -0.168 1.00 3.10 H new ATOM 0 HD13 ILE A 39 -36.895 -1.777 -0.576 1.00 3.10 H new ATOM 590 N ILE A 40 -32.774 -3.525 2.945 1.00 3.82 N ATOM 591 CA ILE A 40 -31.608 -4.375 3.174 1.00 4.18 C ATOM 592 C ILE A 40 -32.002 -5.710 3.798 1.00 4.46 C ATOM 593 O ILE A 40 -31.259 -6.686 3.725 1.00 4.72 O ATOM 594 CB ILE A 40 -30.517 -3.673 4.009 1.00 4.46 C ATOM 595 CG1 ILE A 40 -31.019 -3.255 5.394 1.00 4.61 C ATOM 596 CG2 ILE A 40 -29.986 -2.473 3.246 1.00 4.32 C ATOM 597 CD1 ILE A 40 -30.876 -4.339 6.438 1.00 5.04 C ATOM 0 H ILE A 40 -32.847 -2.720 3.567 1.00 3.82 H new ATOM 0 HA ILE A 40 -31.176 -4.575 2.193 1.00 4.18 H new ATOM 0 HB ILE A 40 -29.711 -4.389 4.173 1.00 4.46 H new ATOM 0 HG12 ILE A 40 -30.469 -2.372 5.720 1.00 4.61 H new ATOM 0 HG13 ILE A 40 -32.068 -2.968 5.321 1.00 4.61 H new ATOM 0 HG21 ILE A 40 -29.215 -1.978 3.837 1.00 4.32 H new ATOM 0 HG22 ILE A 40 -29.560 -2.804 2.299 1.00 4.32 H new ATOM 0 HG23 ILE A 40 -30.800 -1.775 3.054 1.00 4.32 H new ATOM 0 HD11 ILE A 40 -31.251 -3.975 7.394 1.00 5.04 H new ATOM 0 HD12 ILE A 40 -31.449 -5.215 6.134 1.00 5.04 H new ATOM 0 HD13 ILE A 40 -29.825 -4.610 6.540 1.00 5.04 H new ATOM 609 N VAL A 41 -33.164 -5.749 4.424 1.00 4.47 N ATOM 610 CA VAL A 41 -33.728 -7.012 4.881 1.00 4.80 C ATOM 611 C VAL A 41 -34.323 -7.783 3.700 1.00 4.72 C ATOM 612 O VAL A 41 -34.222 -9.008 3.621 1.00 5.04 O ATOM 613 CB VAL A 41 -34.809 -6.801 5.965 1.00 4.99 C ATOM 614 CG1 VAL A 41 -35.456 -8.121 6.361 1.00 5.34 C ATOM 615 CG2 VAL A 41 -34.209 -6.126 7.188 1.00 5.37 C ATOM 0 H VAL A 41 -33.735 -4.928 4.628 1.00 4.47 H new ATOM 0 HA VAL A 41 -32.917 -7.590 5.325 1.00 4.80 H new ATOM 0 HB VAL A 41 -35.581 -6.155 5.546 1.00 4.99 H new ATOM 0 HG11 VAL A 41 -36.212 -7.941 7.125 1.00 5.34 H new ATOM 0 HG12 VAL A 41 -35.924 -8.573 5.487 1.00 5.34 H new ATOM 0 HG13 VAL A 41 -34.696 -8.795 6.755 1.00 5.34 H new ATOM 0 HG21 VAL A 41 -34.983 -5.985 7.942 1.00 5.37 H new ATOM 0 HG22 VAL A 41 -33.415 -6.752 7.596 1.00 5.37 H new ATOM 0 HG23 VAL A 41 -33.798 -5.157 6.904 1.00 5.37 H new ATOM 625 N HIS A 42 -34.919 -7.055 2.760 1.00 4.36 N ATOM 626 CA HIS A 42 -35.581 -7.690 1.622 1.00 4.38 C ATOM 627 C HIS A 42 -34.709 -7.686 0.362 1.00 4.19 C ATOM 628 O HIS A 42 -35.172 -8.034 -0.715 1.00 4.21 O ATOM 629 CB HIS A 42 -36.921 -7.003 1.349 1.00 4.29 C ATOM 630 CG HIS A 42 -37.939 -7.244 2.424 1.00 4.59 C ATOM 631 ND1 HIS A 42 -38.026 -6.482 3.570 1.00 4.88 N ATOM 632 CD2 HIS A 42 -38.910 -8.182 2.528 1.00 5.00 C ATOM 633 CE1 HIS A 42 -39.001 -6.945 4.329 1.00 5.32 C ATOM 634 NE2 HIS A 42 -39.554 -7.976 3.723 1.00 5.35 N ATOM 0 H HIS A 42 -34.958 -6.036 2.762 1.00 4.36 H new ATOM 0 HA HIS A 42 -35.753 -8.734 1.884 1.00 4.38 H new ATOM 0 HB2 HIS A 42 -36.758 -5.930 1.246 1.00 4.29 H new ATOM 0 HB3 HIS A 42 -37.316 -7.358 0.397 1.00 4.29 H new ATOM 0 HD1 HIS A 42 -37.430 -5.685 3.796 1.00 4.88 H new ATOM 0 HD2 HIS A 42 -39.136 -8.951 1.804 1.00 5.00 H new ATOM 0 HE1 HIS A 42 -39.297 -6.545 5.288 1.00 5.32 H new ATOM 643 N MET A 43 -33.455 -7.270 0.498 1.00 4.14 N ATOM 644 CA MET A 43 -32.510 -7.294 -0.621 1.00 4.14 C ATOM 645 C MET A 43 -32.003 -8.707 -0.877 1.00 4.46 C ATOM 646 O MET A 43 -31.535 -9.029 -1.970 1.00 4.53 O ATOM 647 CB MET A 43 -31.329 -6.338 -0.369 1.00 4.26 C ATOM 648 CG MET A 43 -30.463 -6.690 0.837 1.00 4.64 C ATOM 649 SD MET A 43 -29.206 -7.935 0.484 1.00 4.92 S ATOM 650 CE MET A 43 -28.285 -7.134 -0.826 1.00 5.73 C ATOM 0 H MET A 43 -33.066 -6.912 1.370 1.00 4.14 H new ATOM 0 HA MET A 43 -33.042 -6.954 -1.510 1.00 4.14 H new ATOM 0 HB2 MET A 43 -30.698 -6.321 -1.258 1.00 4.26 H new ATOM 0 HB3 MET A 43 -31.719 -5.329 -0.235 1.00 4.26 H new ATOM 0 HG2 MET A 43 -29.975 -5.785 1.200 1.00 4.64 H new ATOM 0 HG3 MET A 43 -31.104 -7.051 1.641 1.00 4.64 H new ATOM 0 HE1 MET A 43 -27.250 -7.475 -0.804 1.00 5.73 H new ATOM 0 HE2 MET A 43 -28.729 -7.385 -1.789 1.00 5.73 H new ATOM 0 HE3 MET A 43 -28.315 -6.054 -0.684 1.00 5.73 H new ATOM 1066 N GLN A 76 22.821 1.223 6.751 1.00 5.05 N ATOM 1067 CA GLN A 76 24.060 0.515 7.000 1.00 4.93 C ATOM 1068 C GLN A 76 24.265 -0.568 5.950 1.00 4.67 C ATOM 1069 O GLN A 76 23.324 -1.281 5.590 1.00 4.88 O ATOM 1070 CB GLN A 76 24.054 -0.121 8.391 1.00 5.47 C ATOM 1071 CG GLN A 76 25.399 -0.715 8.782 1.00 5.74 C ATOM 1072 CD GLN A 76 25.274 -1.780 9.855 1.00 6.61 C ATOM 1073 OE1 GLN A 76 25.351 -1.490 11.049 1.00 7.14 O ATOM 1074 NE2 GLN A 76 25.084 -3.021 9.435 1.00 7.04 N ATOM 0 HA GLN A 76 24.877 1.235 6.946 1.00 4.93 H new ATOM 0 HB2 GLN A 76 23.768 0.631 9.126 1.00 5.47 H new ATOM 0 HB3 GLN A 76 23.295 -0.903 8.423 1.00 5.47 H new ATOM 0 HG2 GLN A 76 25.872 -1.146 7.900 1.00 5.74 H new ATOM 0 HG3 GLN A 76 26.054 0.080 9.138 1.00 5.74 H new ATOM 0 HE21 GLN A 76 25.026 -3.218 8.436 1.00 7.04 H new ATOM 0 HE22 GLN A 76 24.995 -3.780 10.111 1.00 7.04 H new ATOM 1083 N PRO A 77 25.494 -0.675 5.427 1.00 4.45 N ATOM 1084 CA PRO A 77 25.898 -1.771 4.542 1.00 4.52 C ATOM 1085 C PRO A 77 25.653 -3.135 5.173 1.00 5.11 C ATOM 1086 O PRO A 77 25.479 -3.242 6.390 1.00 5.41 O ATOM 1087 CB PRO A 77 27.398 -1.542 4.374 1.00 4.27 C ATOM 1088 CG PRO A 77 27.576 -0.094 4.579 1.00 4.17 C ATOM 1089 CD PRO A 77 26.593 0.281 5.642 1.00 4.44 C ATOM 0 HA PRO A 77 25.336 -1.773 3.608 1.00 4.52 H new ATOM 0 HB2 PRO A 77 27.971 -2.119 5.100 1.00 4.27 H new ATOM 0 HB3 PRO A 77 27.738 -1.847 3.384 1.00 4.27 H new ATOM 0 HG2 PRO A 77 28.596 0.137 4.888 1.00 4.17 H new ATOM 0 HG3 PRO A 77 27.389 0.459 3.658 1.00 4.17 H new ATOM 0 HD2 PRO A 77 27.021 0.186 6.640 1.00 4.44 H new ATOM 0 HD3 PRO A 77 26.257 1.313 5.536 1.00 4.44 H new ATOM 1097 N PRO A 78 25.667 -4.199 4.356 1.00 5.63 N ATOM 1098 CA PRO A 78 25.410 -5.554 4.827 1.00 6.52 C ATOM 1099 C PRO A 78 26.470 -6.009 5.819 1.00 6.80 C ATOM 1100 O PRO A 78 27.640 -6.166 5.461 1.00 6.74 O ATOM 1101 CB PRO A 78 25.458 -6.398 3.549 1.00 7.14 C ATOM 1102 CG PRO A 78 26.264 -5.591 2.601 1.00 6.55 C ATOM 1103 CD PRO A 78 25.958 -4.167 2.917 1.00 5.69 C ATOM 0 HA PRO A 78 24.461 -5.638 5.357 1.00 6.52 H new ATOM 0 HB2 PRO A 78 25.916 -7.370 3.732 1.00 7.14 H new ATOM 0 HB3 PRO A 78 24.457 -6.586 3.159 1.00 7.14 H new ATOM 0 HG2 PRO A 78 27.328 -5.798 2.718 1.00 6.55 H new ATOM 0 HG3 PRO A 78 26.005 -5.827 1.569 1.00 6.55 H new ATOM 0 HD2 PRO A 78 26.801 -3.514 2.691 1.00 5.69 H new ATOM 0 HD3 PRO A 78 25.108 -3.800 2.342 1.00 5.69 H new ATOM 1111 N GLU A 79 26.056 -6.196 7.067 1.00 7.24 N ATOM 1112 CA GLU A 79 26.951 -6.616 8.129 1.00 7.85 C ATOM 1113 C GLU A 79 27.618 -7.941 7.793 1.00 8.62 C ATOM 1114 O GLU A 79 28.685 -8.257 8.317 1.00 8.98 O ATOM 1115 CB GLU A 79 26.193 -6.702 9.452 1.00 8.51 C ATOM 1116 CG GLU A 79 25.014 -7.666 9.446 1.00 9.18 C ATOM 1117 CD GLU A 79 25.361 -9.024 10.021 1.00 9.68 C ATOM 1118 OE1 GLU A 79 25.432 -9.151 11.259 1.00 10.13 O ATOM 1119 OE2 GLU A 79 25.556 -9.971 9.235 1.00 9.76 O ATOM 0 H GLU A 79 25.091 -6.060 7.367 1.00 7.24 H new ATOM 0 HA GLU A 79 27.740 -5.870 8.230 1.00 7.85 H new ATOM 0 HB2 GLU A 79 26.888 -7.004 10.235 1.00 8.51 H new ATOM 0 HB3 GLU A 79 25.831 -5.708 9.714 1.00 8.51 H new ATOM 0 HG2 GLU A 79 24.194 -7.233 10.019 1.00 9.18 H new ATOM 0 HG3 GLU A 79 24.658 -7.790 8.423 1.00 9.18 H new ATOM 1126 N GLU A 80 26.983 -8.709 6.920 1.00 9.00 N ATOM 1127 CA GLU A 80 27.583 -9.911 6.380 1.00 9.80 C ATOM 1128 C GLU A 80 28.846 -9.558 5.612 1.00 9.30 C ATOM 1129 O GLU A 80 29.918 -10.088 5.879 1.00 9.74 O ATOM 1130 CB GLU A 80 26.582 -10.628 5.469 1.00 10.33 C ATOM 1131 CG GLU A 80 27.218 -11.409 4.329 1.00 10.80 C ATOM 1132 CD GLU A 80 26.198 -12.081 3.437 1.00 11.40 C ATOM 1133 OE1 GLU A 80 25.022 -11.663 3.448 1.00 11.61 O ATOM 1134 OE2 GLU A 80 26.563 -13.040 2.725 1.00 11.78 O ATOM 0 H GLU A 80 26.044 -8.515 6.571 1.00 9.00 H new ATOM 0 HA GLU A 80 27.850 -10.580 7.198 1.00 9.80 H new ATOM 0 HB2 GLU A 80 25.985 -11.311 6.073 1.00 10.33 H new ATOM 0 HB3 GLU A 80 25.897 -9.891 5.050 1.00 10.33 H new ATOM 0 HG2 GLU A 80 27.830 -10.735 3.730 1.00 10.80 H new ATOM 0 HG3 GLU A 80 27.887 -12.164 4.741 1.00 10.80 H new ATOM 1141 N ILE A 81 28.710 -8.624 4.687 1.00 8.42 N ATOM 1142 CA ILE A 81 29.805 -8.263 3.816 1.00 7.96 C ATOM 1143 C ILE A 81 30.844 -7.421 4.531 1.00 7.34 C ATOM 1144 O ILE A 81 32.037 -7.643 4.352 1.00 7.45 O ATOM 1145 CB ILE A 81 29.314 -7.525 2.564 1.00 7.44 C ATOM 1146 CG1 ILE A 81 28.486 -8.468 1.694 1.00 8.39 C ATOM 1147 CG2 ILE A 81 30.497 -6.977 1.793 1.00 6.94 C ATOM 1148 CD1 ILE A 81 27.905 -7.804 0.464 1.00 8.28 C ATOM 0 H ILE A 81 27.849 -8.103 4.523 1.00 8.42 H new ATOM 0 HA ILE A 81 30.272 -9.199 3.509 1.00 7.96 H new ATOM 0 HB ILE A 81 28.680 -6.690 2.862 1.00 7.44 H new ATOM 0 HG12 ILE A 81 29.111 -9.305 1.384 1.00 8.39 H new ATOM 0 HG13 ILE A 81 27.673 -8.881 2.292 1.00 8.39 H new ATOM 0 HG21 ILE A 81 30.142 -6.454 0.905 1.00 6.94 H new ATOM 0 HG22 ILE A 81 31.053 -6.284 2.424 1.00 6.94 H new ATOM 0 HG23 ILE A 81 31.148 -7.798 1.494 1.00 6.94 H new ATOM 0 HD11 ILE A 81 27.330 -8.534 -0.106 1.00 8.28 H new ATOM 0 HD12 ILE A 81 27.253 -6.984 0.767 1.00 8.28 H new ATOM 0 HD13 ILE A 81 28.713 -7.415 -0.156 1.00 8.28 H new ATOM 1160 N VAL A 82 30.406 -6.471 5.351 1.00 6.83 N ATOM 1161 CA VAL A 82 31.345 -5.653 6.100 1.00 6.55 C ATOM 1162 C VAL A 82 32.236 -6.570 6.927 1.00 7.54 C ATOM 1163 O VAL A 82 33.437 -6.347 7.044 1.00 7.57 O ATOM 1164 CB VAL A 82 30.649 -4.618 7.018 1.00 6.32 C ATOM 1165 CG1 VAL A 82 29.661 -3.766 6.239 1.00 5.50 C ATOM 1166 CG2 VAL A 82 29.961 -5.289 8.196 1.00 7.25 C ATOM 0 H VAL A 82 29.422 -6.253 5.511 1.00 6.83 H new ATOM 0 HA VAL A 82 31.934 -5.080 5.384 1.00 6.55 H new ATOM 0 HB VAL A 82 31.427 -3.964 7.412 1.00 6.32 H new ATOM 0 HG11 VAL A 82 29.189 -3.050 6.911 1.00 5.50 H new ATOM 0 HG12 VAL A 82 30.187 -3.230 5.449 1.00 5.50 H new ATOM 0 HG13 VAL A 82 28.897 -4.406 5.797 1.00 5.50 H new ATOM 0 HG21 VAL A 82 29.484 -4.532 8.818 1.00 7.25 H new ATOM 0 HG22 VAL A 82 29.207 -5.985 7.829 1.00 7.25 H new ATOM 0 HG23 VAL A 82 30.699 -5.832 8.787 1.00 7.25 H new ATOM 1176 N ALA A 83 31.618 -7.629 7.453 1.00 8.43 N ATOM 1177 CA ALA A 83 32.313 -8.672 8.183 1.00 9.53 C ATOM 1178 C ALA A 83 33.349 -9.346 7.296 1.00 9.70 C ATOM 1179 O ALA A 83 34.508 -9.481 7.676 1.00 10.09 O ATOM 1180 CB ALA A 83 31.295 -9.685 8.666 1.00 10.39 C ATOM 0 H ALA A 83 30.612 -7.781 7.379 1.00 8.43 H new ATOM 0 HA ALA A 83 32.835 -8.236 9.035 1.00 9.53 H new ATOM 0 HB1 ALA A 83 31.803 -10.476 9.217 1.00 10.39 H new ATOM 0 HB2 ALA A 83 30.574 -9.193 9.319 1.00 10.39 H new ATOM 0 HB3 ALA A 83 30.775 -10.115 7.810 1.00 10.39 H new ATOM 1186 N ILE A 84 32.923 -9.748 6.104 1.00 9.53 N ATOM 1187 CA ILE A 84 33.801 -10.415 5.150 1.00 9.80 C ATOM 1188 C ILE A 84 34.981 -9.522 4.784 1.00 9.04 C ATOM 1189 O ILE A 84 36.124 -9.970 4.732 1.00 9.43 O ATOM 1190 CB ILE A 84 33.020 -10.790 3.872 1.00 9.84 C ATOM 1191 CG1 ILE A 84 31.937 -11.816 4.205 1.00 10.78 C ATOM 1192 CG2 ILE A 84 33.962 -11.329 2.803 1.00 10.13 C ATOM 1193 CD1 ILE A 84 30.729 -11.741 3.305 1.00 10.71 C ATOM 0 H ILE A 84 31.966 -9.622 5.773 1.00 9.53 H new ATOM 0 HA ILE A 84 34.180 -11.323 5.619 1.00 9.80 H new ATOM 0 HB ILE A 84 32.543 -9.893 3.478 1.00 9.84 H new ATOM 0 HG12 ILE A 84 32.365 -12.816 4.140 1.00 10.78 H new ATOM 0 HG13 ILE A 84 31.619 -11.672 5.237 1.00 10.78 H new ATOM 0 HG21 ILE A 84 33.391 -11.587 1.911 1.00 10.13 H new ATOM 0 HG22 ILE A 84 34.702 -10.568 2.553 1.00 10.13 H new ATOM 0 HG23 ILE A 84 34.469 -12.218 3.179 1.00 10.13 H new ATOM 0 HD11 ILE A 84 30.005 -12.499 3.603 1.00 10.71 H new ATOM 0 HD12 ILE A 84 30.275 -10.754 3.387 1.00 10.71 H new ATOM 0 HD13 ILE A 84 31.033 -11.916 2.273 1.00 10.71 H new ATOM 1205 N ILE A 85 34.696 -8.251 4.560 1.00 8.01 N ATOM 1206 CA ILE A 85 35.710 -7.298 4.157 1.00 7.27 C ATOM 1207 C ILE A 85 36.767 -7.107 5.234 1.00 7.66 C ATOM 1208 O ILE A 85 37.966 -7.147 4.951 1.00 7.73 O ATOM 1209 CB ILE A 85 35.077 -5.949 3.817 1.00 6.22 C ATOM 1210 CG1 ILE A 85 34.097 -6.121 2.665 1.00 6.07 C ATOM 1211 CG2 ILE A 85 36.149 -4.928 3.477 1.00 5.61 C ATOM 1212 CD1 ILE A 85 33.268 -4.891 2.377 1.00 5.25 C ATOM 0 H ILE A 85 33.761 -7.854 4.652 1.00 8.01 H new ATOM 0 HA ILE A 85 36.197 -7.705 3.270 1.00 7.27 H new ATOM 0 HB ILE A 85 34.532 -5.579 4.685 1.00 6.22 H new ATOM 0 HG12 ILE A 85 34.652 -6.392 1.767 1.00 6.07 H new ATOM 0 HG13 ILE A 85 33.429 -6.953 2.890 1.00 6.07 H new ATOM 0 HG21 ILE A 85 35.680 -3.974 3.238 1.00 5.61 H new ATOM 0 HG22 ILE A 85 36.814 -4.801 4.331 1.00 5.61 H new ATOM 0 HG23 ILE A 85 36.723 -5.276 2.618 1.00 5.61 H new ATOM 0 HD11 ILE A 85 32.595 -5.093 1.544 1.00 5.25 H new ATOM 0 HD12 ILE A 85 32.685 -4.631 3.260 1.00 5.25 H new ATOM 0 HD13 ILE A 85 33.926 -4.061 2.119 1.00 5.25 H new ATOM 1224 N THR A 86 36.337 -6.905 6.472 1.00 8.07 N ATOM 1225 CA THR A 86 37.291 -6.765 7.559 1.00 8.77 C ATOM 1226 C THR A 86 37.974 -8.104 7.849 1.00 9.82 C ATOM 1227 O THR A 86 39.098 -8.139 8.343 1.00 10.38 O ATOM 1228 CB THR A 86 36.679 -6.144 8.847 1.00 9.14 C ATOM 1229 OG1 THR A 86 37.584 -6.273 9.949 1.00 10.16 O ATOM 1230 CG2 THR A 86 35.338 -6.753 9.208 1.00 9.36 C ATOM 0 H THR A 86 35.356 -6.836 6.744 1.00 8.07 H new ATOM 0 HA THR A 86 38.044 -6.052 7.223 1.00 8.77 H new ATOM 0 HB THR A 86 36.512 -5.088 8.634 1.00 9.14 H new ATOM 0 HG1 THR A 86 38.456 -5.902 9.701 1.00 10.16 H new ATOM 0 HG21 THR A 86 34.957 -6.283 10.114 1.00 9.36 H new ATOM 0 HG22 THR A 86 34.634 -6.592 8.392 1.00 9.36 H new ATOM 0 HG23 THR A 86 35.458 -7.823 9.377 1.00 9.36 H new ATOM 1238 N SER A 87 37.321 -9.203 7.487 1.00 10.16 N ATOM 1239 CA SER A 87 37.946 -10.515 7.581 1.00 11.17 C ATOM 1240 C SER A 87 39.058 -10.648 6.537 1.00 10.93 C ATOM 1241 O SER A 87 40.056 -11.333 6.765 1.00 11.68 O ATOM 1242 CB SER A 87 36.908 -11.623 7.402 1.00 11.77 C ATOM 1243 OG SER A 87 35.909 -11.551 8.407 1.00 12.35 O ATOM 0 H SER A 87 36.366 -9.211 7.128 1.00 10.16 H new ATOM 0 HA SER A 87 38.385 -10.618 8.573 1.00 11.17 H new ATOM 0 HB2 SER A 87 36.446 -11.538 6.418 1.00 11.77 H new ATOM 0 HB3 SER A 87 37.399 -12.596 7.441 1.00 11.77 H new ATOM 0 HG SER A 87 35.397 -10.722 8.300 1.00 12.35 H new ATOM 1249 N MET A 88 38.879 -9.971 5.399 1.00 9.91 N ATOM 1250 CA MET A 88 39.890 -9.941 4.339 1.00 9.62 C ATOM 1251 C MET A 88 41.170 -9.287 4.836 1.00 9.52 C ATOM 1252 O MET A 88 42.267 -9.600 4.374 1.00 9.66 O ATOM 1253 CB MET A 88 39.381 -9.168 3.116 1.00 8.63 C ATOM 1254 CG MET A 88 38.280 -9.874 2.343 1.00 8.93 C ATOM 1255 SD MET A 88 38.816 -11.451 1.648 1.00 10.15 S ATOM 1256 CE MET A 88 40.109 -10.907 0.532 1.00 10.33 C ATOM 0 H MET A 88 38.038 -9.434 5.188 1.00 9.91 H new ATOM 0 HA MET A 88 40.094 -10.973 4.053 1.00 9.62 H new ATOM 0 HB2 MET A 88 39.013 -8.196 3.443 1.00 8.63 H new ATOM 0 HB3 MET A 88 40.219 -8.982 2.444 1.00 8.63 H new ATOM 0 HG2 MET A 88 37.430 -10.043 3.003 1.00 8.93 H new ATOM 0 HG3 MET A 88 37.934 -9.226 1.538 1.00 8.93 H new ATOM 0 HE1 MET A 88 40.293 -11.679 -0.215 1.00 10.33 H new ATOM 0 HE2 MET A 88 39.798 -9.988 0.036 1.00 10.33 H new ATOM 0 HE3 MET A 88 41.023 -10.723 1.096 1.00 10.33 H new ATOM 1266 N GLY A 89 41.011 -8.379 5.784 1.00 9.41 N ATOM 1267 CA GLY A 89 42.137 -7.647 6.315 1.00 9.53 C ATOM 1268 C GLY A 89 41.849 -6.169 6.427 1.00 8.82 C ATOM 1269 O GLY A 89 42.684 -5.397 6.894 1.00 9.04 O ATOM 0 H GLY A 89 40.112 -8.135 6.198 1.00 9.41 H new ATOM 0 HA2 GLY A 89 42.395 -8.042 7.298 1.00 9.53 H new ATOM 0 HA3 GLY A 89 43.004 -7.800 5.673 1.00 9.53 H new ATOM 1273 N PHE A 90 40.660 -5.772 5.991 1.00 8.10 N ATOM 1274 CA PHE A 90 40.245 -4.381 6.053 1.00 7.50 C ATOM 1275 C PHE A 90 39.512 -4.109 7.358 1.00 8.05 C ATOM 1276 O PHE A 90 39.461 -4.967 8.235 1.00 8.89 O ATOM 1277 CB PHE A 90 39.362 -4.057 4.846 1.00 6.45 C ATOM 1278 CG PHE A 90 40.083 -4.255 3.539 1.00 6.07 C ATOM 1279 CD1 PHE A 90 41.323 -3.681 3.320 1.00 6.07 C ATOM 1280 CD2 PHE A 90 39.509 -5.007 2.525 1.00 5.98 C ATOM 1281 CE1 PHE A 90 41.982 -3.858 2.116 1.00 5.89 C ATOM 1282 CE2 PHE A 90 40.163 -5.185 1.320 1.00 5.84 C ATOM 1283 CZ PHE A 90 41.427 -4.623 1.133 1.00 5.76 C ATOM 0 H PHE A 90 39.964 -6.400 5.589 1.00 8.10 H new ATOM 0 HA PHE A 90 41.124 -3.737 6.023 1.00 7.50 H new ATOM 0 HB2 PHE A 90 38.475 -4.690 4.868 1.00 6.45 H new ATOM 0 HB3 PHE A 90 39.019 -3.025 4.916 1.00 6.45 H new ATOM 0 HD1 PHE A 90 41.782 -3.088 4.098 1.00 6.07 H new ATOM 0 HD2 PHE A 90 38.540 -5.459 2.678 1.00 5.98 H new ATOM 0 HE1 PHE A 90 42.941 -3.388 1.954 1.00 5.89 H new ATOM 0 HE2 PHE A 90 39.699 -5.755 0.529 1.00 5.84 H new ATOM 0 HZ PHE A 90 41.964 -4.794 0.212 1.00 5.76 H new ATOM 1293 N GLN A 91 38.967 -2.915 7.497 1.00 7.71 N ATOM 1294 CA GLN A 91 38.220 -2.558 8.683 1.00 8.28 C ATOM 1295 C GLN A 91 36.725 -2.640 8.393 1.00 7.66 C ATOM 1296 O GLN A 91 36.313 -2.378 7.268 1.00 6.72 O ATOM 1297 CB GLN A 91 38.604 -1.147 9.122 1.00 8.59 C ATOM 1298 CG GLN A 91 37.816 -0.639 10.309 1.00 9.30 C ATOM 1299 CD GLN A 91 38.168 0.785 10.692 1.00 9.79 C ATOM 1300 OE1 GLN A 91 38.542 1.596 9.712 1.00 10.05 O flip ATOM 1301 NE2 GLN A 91 38.096 1.159 11.861 1.00 10.16 N flip ATOM 0 H GLN A 91 39.030 -2.174 6.798 1.00 7.71 H new ATOM 0 HA GLN A 91 38.457 -3.253 9.489 1.00 8.28 H new ATOM 0 HB2 GLN A 91 39.666 -1.130 9.369 1.00 8.59 H new ATOM 0 HB3 GLN A 91 38.461 -0.465 8.284 1.00 8.59 H new ATOM 0 HG2 GLN A 91 36.751 -0.695 10.081 1.00 9.30 H new ATOM 0 HG3 GLN A 91 37.994 -1.293 11.163 1.00 9.30 H new ATOM 0 HE21 GLN A 91 37.804 0.506 12.588 1.00 10.16 H new ATOM 0 HE22 GLN A 91 38.328 2.122 12.104 1.00 10.16 H new ATOM 1310 N ARG A 92 35.919 -3.006 9.384 1.00 8.25 N ATOM 1311 CA ARG A 92 34.471 -3.102 9.187 1.00 7.79 C ATOM 1312 C ARG A 92 33.900 -1.769 8.717 1.00 7.08 C ATOM 1313 O ARG A 92 33.194 -1.701 7.720 1.00 6.21 O ATOM 1314 CB ARG A 92 33.771 -3.504 10.473 1.00 8.69 C ATOM 1315 CG ARG A 92 32.272 -3.643 10.294 1.00 8.30 C ATOM 1316 CD ARG A 92 31.526 -3.355 11.576 1.00 8.98 C ATOM 1317 NE ARG A 92 31.812 -4.344 12.614 1.00 10.14 N ATOM 1318 CZ ARG A 92 31.893 -4.063 13.914 1.00 10.93 C ATOM 1319 NH1 ARG A 92 31.751 -2.810 14.335 1.00 10.74 N ATOM 1320 NH2 ARG A 92 32.131 -5.034 14.791 1.00 11.98 N ATOM 0 H ARG A 92 36.237 -3.240 10.325 1.00 8.25 H new ATOM 0 HA ARG A 92 34.298 -3.864 8.427 1.00 7.79 H new ATOM 0 HB2 ARG A 92 34.181 -4.450 10.827 1.00 8.69 H new ATOM 0 HB3 ARG A 92 33.975 -2.760 11.243 1.00 8.69 H new ATOM 0 HG2 ARG A 92 31.934 -2.960 9.515 1.00 8.30 H new ATOM 0 HG3 ARG A 92 32.038 -4.653 9.956 1.00 8.30 H new ATOM 0 HD2 ARG A 92 31.797 -2.363 11.937 1.00 8.98 H new ATOM 0 HD3 ARG A 92 30.455 -3.340 11.376 1.00 8.98 H new ATOM 0 HE ARG A 92 31.959 -5.311 12.325 1.00 10.14 H new ATOM 0 HH11 ARG A 92 31.580 -2.062 13.663 1.00 10.74 H new ATOM 0 HH12 ARG A 92 31.813 -2.596 15.330 1.00 10.74 H new ATOM 0 HH21 ARG A 92 32.252 -5.994 14.469 1.00 11.98 H new ATOM 0 HH22 ARG A 92 32.193 -4.819 15.786 1.00 11.98 H new ATOM 1334 N ASN A 93 34.206 -0.717 9.461 1.00 7.66 N ATOM 1335 CA ASN A 93 33.761 0.637 9.125 1.00 7.40 C ATOM 1336 C ASN A 93 34.262 1.044 7.744 1.00 6.66 C ATOM 1337 O ASN A 93 33.564 1.715 6.983 1.00 6.20 O ATOM 1338 CB ASN A 93 34.257 1.621 10.184 1.00 8.50 C ATOM 1339 CG ASN A 93 33.832 3.056 9.915 1.00 8.62 C ATOM 1340 OD1 ASN A 93 32.749 3.484 10.315 1.00 8.59 O ATOM 1341 ND2 ASN A 93 34.694 3.815 9.253 1.00 9.02 N ATOM 0 H ASN A 93 34.767 -0.771 10.311 1.00 7.66 H new ATOM 0 HA ASN A 93 32.671 0.653 9.106 1.00 7.40 H new ATOM 0 HB2 ASN A 93 33.881 1.314 11.160 1.00 8.50 H new ATOM 0 HB3 ASN A 93 35.345 1.574 10.233 1.00 8.50 H new ATOM 0 HD21 ASN A 93 34.470 4.791 9.059 1.00 9.02 H new ATOM 0 HD22 ASN A 93 35.582 3.423 8.938 1.00 9.02 H new ATOM 1348 N GLN A 94 35.473 0.615 7.427 1.00 6.68 N ATOM 1349 CA GLN A 94 36.056 0.850 6.115 1.00 6.08 C ATOM 1350 C GLN A 94 35.262 0.090 5.058 1.00 5.11 C ATOM 1351 O GLN A 94 35.019 0.594 3.960 1.00 4.70 O ATOM 1352 CB GLN A 94 37.523 0.425 6.132 1.00 6.39 C ATOM 1353 CG GLN A 94 38.124 0.121 4.771 1.00 5.72 C ATOM 1354 CD GLN A 94 39.634 0.115 4.817 1.00 6.13 C ATOM 1355 OE1 GLN A 94 40.251 -0.908 5.105 1.00 6.28 O ATOM 1356 NE2 GLN A 94 40.237 1.260 4.537 1.00 6.56 N ATOM 0 H GLN A 94 36.076 0.098 8.066 1.00 6.68 H new ATOM 0 HA GLN A 94 36.012 1.910 5.867 1.00 6.08 H new ATOM 0 HB2 GLN A 94 38.108 1.216 6.601 1.00 6.39 H new ATOM 0 HB3 GLN A 94 37.621 -0.460 6.761 1.00 6.39 H new ATOM 0 HG2 GLN A 94 37.766 -0.848 4.423 1.00 5.72 H new ATOM 0 HG3 GLN A 94 37.785 0.864 4.049 1.00 5.72 H new ATOM 0 HE21 GLN A 94 39.683 2.084 4.303 1.00 6.56 H new ATOM 0 HE22 GLN A 94 41.255 1.318 4.555 1.00 6.56 H new ATOM 1365 N ALA A 95 34.847 -1.114 5.420 1.00 5.10 N ATOM 1366 CA ALA A 95 33.985 -1.924 4.582 1.00 4.58 C ATOM 1367 C ALA A 95 32.634 -1.247 4.394 1.00 4.24 C ATOM 1368 O ALA A 95 32.076 -1.249 3.299 1.00 3.93 O ATOM 1369 CB ALA A 95 33.812 -3.290 5.217 1.00 5.22 C ATOM 0 H ALA A 95 35.100 -1.555 6.304 1.00 5.10 H new ATOM 0 HA ALA A 95 34.442 -2.039 3.599 1.00 4.58 H new ATOM 0 HB1 ALA A 95 33.164 -3.903 4.590 1.00 5.22 H new ATOM 0 HB2 ALA A 95 34.785 -3.772 5.314 1.00 5.22 H new ATOM 0 HB3 ALA A 95 33.362 -3.178 6.204 1.00 5.22 H new ATOM 1375 N ILE A 96 32.118 -0.662 5.475 1.00 4.61 N ATOM 1376 CA ILE A 96 30.862 0.068 5.417 1.00 4.48 C ATOM 1377 C ILE A 96 30.947 1.204 4.406 1.00 4.45 C ATOM 1378 O ILE A 96 30.106 1.316 3.514 1.00 4.33 O ATOM 1379 CB ILE A 96 30.449 0.632 6.802 1.00 5.19 C ATOM 1380 CG1 ILE A 96 29.741 -0.444 7.620 1.00 5.44 C ATOM 1381 CG2 ILE A 96 29.551 1.849 6.649 1.00 5.34 C ATOM 1382 CD1 ILE A 96 30.420 -0.752 8.928 1.00 6.39 C ATOM 0 H ILE A 96 32.553 -0.682 6.397 1.00 4.61 H new ATOM 0 HA ILE A 96 30.098 -0.642 5.102 1.00 4.48 H new ATOM 0 HB ILE A 96 31.354 0.940 7.327 1.00 5.19 H new ATOM 0 HG12 ILE A 96 28.718 -0.124 7.818 1.00 5.44 H new ATOM 0 HG13 ILE A 96 29.680 -1.357 7.028 1.00 5.44 H new ATOM 0 HG21 ILE A 96 29.276 2.225 7.635 1.00 5.34 H new ATOM 0 HG22 ILE A 96 30.082 2.626 6.100 1.00 5.34 H new ATOM 0 HG23 ILE A 96 28.650 1.570 6.103 1.00 5.34 H new ATOM 0 HD11 ILE A 96 29.861 -1.525 9.455 1.00 6.39 H new ATOM 0 HD12 ILE A 96 31.434 -1.103 8.738 1.00 6.39 H new ATOM 0 HD13 ILE A 96 30.457 0.149 9.540 1.00 6.39 H new ATOM 1394 N GLN A 97 31.972 2.029 4.544 1.00 4.95 N ATOM 1395 CA GLN A 97 32.182 3.149 3.634 1.00 5.42 C ATOM 1396 C GLN A 97 32.271 2.674 2.195 1.00 5.09 C ATOM 1397 O GLN A 97 31.662 3.255 1.291 1.00 5.57 O ATOM 1398 CB GLN A 97 33.448 3.904 4.000 1.00 6.13 C ATOM 1399 CG GLN A 97 33.680 5.129 3.129 1.00 6.88 C ATOM 1400 CD GLN A 97 34.706 6.077 3.711 1.00 7.78 C ATOM 1401 OE1 GLN A 97 34.371 6.978 4.480 1.00 8.13 O ATOM 1402 NE2 GLN A 97 35.963 5.887 3.346 1.00 8.36 N ATOM 0 H GLN A 97 32.675 1.946 5.279 1.00 4.95 H new ATOM 0 HA GLN A 97 31.326 3.817 3.729 1.00 5.42 H new ATOM 0 HB2 GLN A 97 33.392 4.212 5.044 1.00 6.13 H new ATOM 0 HB3 GLN A 97 34.303 3.234 3.911 1.00 6.13 H new ATOM 0 HG2 GLN A 97 34.008 4.809 2.140 1.00 6.88 H new ATOM 0 HG3 GLN A 97 32.737 5.659 2.996 1.00 6.88 H new ATOM 0 HE21 GLN A 97 36.199 5.128 2.706 1.00 8.36 H new ATOM 0 HE22 GLN A 97 36.696 6.499 3.704 1.00 8.36 H new ATOM 1411 N ALA A 98 33.023 1.609 1.995 1.00 4.57 N ATOM 1412 CA ALA A 98 33.189 1.034 0.677 1.00 4.55 C ATOM 1413 C ALA A 98 31.846 0.596 0.109 1.00 4.70 C ATOM 1414 O ALA A 98 31.465 1.016 -0.977 1.00 5.41 O ATOM 1415 CB ALA A 98 34.154 -0.131 0.737 1.00 4.17 C ATOM 0 H ALA A 98 33.531 1.123 2.734 1.00 4.57 H new ATOM 0 HA ALA A 98 33.602 1.793 0.013 1.00 4.55 H new ATOM 0 HB1 ALA A 98 34.272 -0.557 -0.259 1.00 4.17 H new ATOM 0 HB2 ALA A 98 35.121 0.216 1.101 1.00 4.17 H new ATOM 0 HB3 ALA A 98 33.764 -0.892 1.413 1.00 4.17 H new ATOM 1421 N LEU A 99 31.114 -0.214 0.868 1.00 4.31 N ATOM 1422 CA LEU A 99 29.817 -0.708 0.425 1.00 4.67 C ATOM 1423 C LEU A 99 28.834 0.435 0.200 1.00 5.10 C ATOM 1424 O LEU A 99 27.963 0.346 -0.655 1.00 5.77 O ATOM 1425 CB LEU A 99 29.232 -1.678 1.437 1.00 4.44 C ATOM 1426 CG LEU A 99 30.029 -2.955 1.659 1.00 4.61 C ATOM 1427 CD1 LEU A 99 29.509 -3.692 2.868 1.00 4.82 C ATOM 1428 CD2 LEU A 99 29.953 -3.841 0.439 1.00 5.40 C ATOM 0 H LEU A 99 31.398 -0.541 1.792 1.00 4.31 H new ATOM 0 HA LEU A 99 29.978 -1.226 -0.521 1.00 4.67 H new ATOM 0 HB2 LEU A 99 29.132 -1.162 2.392 1.00 4.44 H new ATOM 0 HB3 LEU A 99 28.227 -1.950 1.115 1.00 4.44 H new ATOM 0 HG LEU A 99 31.071 -2.687 1.832 1.00 4.61 H new ATOM 0 HD11 LEU A 99 30.088 -4.604 3.015 1.00 4.82 H new ATOM 0 HD12 LEU A 99 29.602 -3.057 3.749 1.00 4.82 H new ATOM 0 HD13 LEU A 99 28.461 -3.949 2.715 1.00 4.82 H new ATOM 0 HD21 LEU A 99 30.528 -4.750 0.613 1.00 5.40 H new ATOM 0 HD22 LEU A 99 28.913 -4.101 0.243 1.00 5.40 H new ATOM 0 HD23 LEU A 99 30.363 -3.312 -0.421 1.00 5.40 H new ATOM 1440 N ARG A 100 28.963 1.498 0.982 1.00 5.01 N ATOM 1441 CA ARG A 100 28.138 2.689 0.793 1.00 5.73 C ATOM 1442 C ARG A 100 28.271 3.184 -0.637 1.00 6.63 C ATOM 1443 O ARG A 100 27.281 3.466 -1.312 1.00 7.33 O ATOM 1444 CB ARG A 100 28.564 3.799 1.750 1.00 5.96 C ATOM 1445 CG ARG A 100 28.036 3.651 3.166 1.00 5.58 C ATOM 1446 CD ARG A 100 28.759 4.600 4.103 1.00 6.19 C ATOM 1447 NE ARG A 100 28.133 4.700 5.416 1.00 6.32 N ATOM 1448 CZ ARG A 100 28.593 5.482 6.390 1.00 7.08 C ATOM 1449 NH1 ARG A 100 29.629 6.285 6.166 1.00 7.71 N ATOM 1450 NH2 ARG A 100 28.000 5.476 7.574 1.00 7.36 N ATOM 0 H ARG A 100 29.629 1.563 1.752 1.00 5.01 H new ATOM 0 HA ARG A 100 27.101 2.424 0.999 1.00 5.73 H new ATOM 0 HB2 ARG A 100 29.653 3.833 1.784 1.00 5.96 H new ATOM 0 HB3 ARG A 100 28.228 4.755 1.349 1.00 5.96 H new ATOM 0 HG2 ARG A 100 26.966 3.857 3.185 1.00 5.58 H new ATOM 0 HG3 ARG A 100 28.169 2.624 3.505 1.00 5.58 H new ATOM 0 HD2 ARG A 100 29.790 4.266 4.224 1.00 6.19 H new ATOM 0 HD3 ARG A 100 28.796 5.590 3.649 1.00 6.19 H new ATOM 0 HE ARG A 100 27.299 4.142 5.598 1.00 6.32 H new ATOM 0 HH11 ARG A 100 30.072 6.302 5.247 1.00 7.71 H new ATOM 0 HH12 ARG A 100 29.981 6.884 6.913 1.00 7.71 H new ATOM 0 HH21 ARG A 100 27.193 4.873 7.737 1.00 7.36 H new ATOM 0 HH22 ARG A 100 28.350 6.074 8.323 1.00 7.36 H new ATOM 1464 N ALA A 101 29.512 3.253 -1.090 1.00 6.70 N ATOM 1465 CA ALA A 101 29.829 3.716 -2.431 1.00 7.62 C ATOM 1466 C ALA A 101 29.486 2.668 -3.493 1.00 7.91 C ATOM 1467 O ALA A 101 29.008 3.003 -4.577 1.00 8.88 O ATOM 1468 CB ALA A 101 31.301 4.070 -2.489 1.00 7.61 C ATOM 0 H ALA A 101 30.328 2.989 -0.538 1.00 6.70 H new ATOM 0 HA ALA A 101 29.224 4.596 -2.649 1.00 7.62 H new ATOM 0 HB1 ALA A 101 31.552 4.419 -3.491 1.00 7.61 H new ATOM 0 HB2 ALA A 101 31.515 4.857 -1.766 1.00 7.61 H new ATOM 0 HB3 ALA A 101 31.897 3.189 -2.252 1.00 7.61 H new ATOM 1474 N THR A 102 29.734 1.404 -3.178 1.00 7.24 N ATOM 1475 CA THR A 102 29.549 0.315 -4.129 1.00 7.76 C ATOM 1476 C THR A 102 28.112 -0.199 -4.161 1.00 8.12 C ATOM 1477 O THR A 102 27.798 -1.135 -4.895 1.00 8.79 O ATOM 1478 CB THR A 102 30.493 -0.840 -3.779 1.00 7.19 C ATOM 1479 OG1 THR A 102 30.059 -1.491 -2.576 1.00 6.44 O ATOM 1480 CG2 THR A 102 31.889 -0.286 -3.574 1.00 6.79 C ATOM 0 H THR A 102 30.067 1.105 -2.262 1.00 7.24 H new ATOM 0 HA THR A 102 29.777 0.710 -5.119 1.00 7.76 H new ATOM 0 HB THR A 102 30.490 -1.566 -4.592 1.00 7.19 H new ATOM 0 HG1 THR A 102 30.285 -2.444 -2.620 1.00 6.44 H new ATOM 0 HG21 THR A 102 32.570 -1.099 -3.324 1.00 6.79 H new ATOM 0 HG22 THR A 102 32.225 0.201 -4.489 1.00 6.79 H new ATOM 0 HG23 THR A 102 31.877 0.440 -2.761 1.00 6.79 H new ATOM 1488 N ASN A 103 27.253 0.420 -3.353 1.00 7.78 N ATOM 1489 CA ASN A 103 25.850 0.019 -3.229 1.00 8.03 C ATOM 1490 C ASN A 103 25.752 -1.385 -2.633 1.00 7.69 C ATOM 1491 O ASN A 103 25.024 -2.237 -3.129 1.00 8.43 O ATOM 1492 CB ASN A 103 25.135 0.088 -4.585 1.00 9.26 C ATOM 1493 CG ASN A 103 23.617 0.112 -4.459 1.00 9.66 C ATOM 1494 OD1 ASN A 103 23.007 1.176 -4.347 1.00 10.09 O ATOM 1495 ND2 ASN A 103 22.997 -1.055 -4.490 1.00 9.74 N ATOM 0 H ASN A 103 27.509 1.214 -2.765 1.00 7.78 H new ATOM 0 HA ASN A 103 25.352 0.717 -2.556 1.00 8.03 H new ATOM 0 HB2 ASN A 103 25.464 0.981 -5.117 1.00 9.26 H new ATOM 0 HB3 ASN A 103 25.430 -0.770 -5.189 1.00 9.26 H new ATOM 0 HD21 ASN A 103 21.980 -1.094 -4.420 1.00 9.74 H new ATOM 0 HD22 ASN A 103 23.535 -1.916 -4.584 1.00 9.74 H new ATOM 1502 N ASN A 104 26.529 -1.613 -1.571 1.00 6.74 N ATOM 1503 CA ASN A 104 26.514 -2.874 -0.826 1.00 6.57 C ATOM 1504 C ASN A 104 27.120 -4.006 -1.651 1.00 7.31 C ATOM 1505 O ASN A 104 26.931 -5.182 -1.341 1.00 7.80 O ATOM 1506 CB ASN A 104 25.090 -3.257 -0.383 1.00 6.81 C ATOM 1507 CG ASN A 104 24.462 -2.281 0.609 1.00 7.28 C ATOM 1508 OD1 ASN A 104 24.824 -1.011 0.532 1.00 7.71 O flip ATOM 1509 ND2 ASN A 104 23.646 -2.671 1.439 1.00 7.45 N flip ATOM 0 H ASN A 104 27.188 -0.927 -1.203 1.00 6.74 H new ATOM 0 HA ASN A 104 27.121 -2.722 0.067 1.00 6.57 H new ATOM 0 HB2 ASN A 104 24.452 -3.323 -1.264 1.00 6.81 H new ATOM 0 HB3 ASN A 104 25.116 -4.249 0.067 1.00 6.81 H new ATOM 0 HD21 ASN A 104 23.386 -3.657 1.475 1.00 7.45 H new ATOM 0 HD22 ASN A 104 23.228 -2.009 2.093 1.00 7.45 H new ATOM 1516 N ASN A 105 27.845 -3.638 -2.699 1.00 7.54 N ATOM 1517 CA ASN A 105 28.550 -4.613 -3.523 1.00 8.24 C ATOM 1518 C ASN A 105 29.852 -5.007 -2.841 1.00 7.62 C ATOM 1519 O ASN A 105 30.771 -4.198 -2.730 1.00 6.99 O ATOM 1520 CB ASN A 105 28.846 -4.025 -4.905 1.00 8.91 C ATOM 1521 CG ASN A 105 29.263 -5.078 -5.917 1.00 9.80 C ATOM 1522 OD1 ASN A 105 30.048 -4.804 -6.822 1.00 10.00 O ATOM 1523 ND2 ASN A 105 28.737 -6.282 -5.777 1.00 10.49 N ATOM 0 H ASN A 105 27.961 -2.670 -3.000 1.00 7.54 H new ATOM 0 HA ASN A 105 27.922 -5.495 -3.646 1.00 8.24 H new ATOM 0 HB2 ASN A 105 27.960 -3.507 -5.271 1.00 8.91 H new ATOM 0 HB3 ASN A 105 29.637 -3.280 -4.816 1.00 8.91 H new ATOM 0 HD21 ASN A 105 28.979 -7.024 -6.434 1.00 10.49 H new ATOM 0 HD22 ASN A 105 28.089 -6.470 -5.012 1.00 10.49 H new ATOM 1530 N LEU A 106 29.898 -6.252 -2.383 1.00 7.99 N ATOM 1531 CA LEU A 106 31.034 -6.803 -1.642 1.00 7.70 C ATOM 1532 C LEU A 106 32.332 -6.651 -2.417 1.00 7.69 C ATOM 1533 O LEU A 106 33.286 -6.031 -1.951 1.00 6.94 O ATOM 1534 CB LEU A 106 30.771 -8.292 -1.366 1.00 8.64 C ATOM 1535 CG LEU A 106 31.884 -9.073 -0.653 1.00 8.79 C ATOM 1536 CD1 LEU A 106 31.273 -10.178 0.185 1.00 9.54 C ATOM 1537 CD2 LEU A 106 32.859 -9.676 -1.648 1.00 9.40 C ATOM 0 H LEU A 106 29.138 -6.919 -2.516 1.00 7.99 H new ATOM 0 HA LEU A 106 31.138 -6.253 -0.707 1.00 7.70 H new ATOM 0 HB2 LEU A 106 29.864 -8.371 -0.767 1.00 8.64 H new ATOM 0 HB3 LEU A 106 30.568 -8.783 -2.318 1.00 8.64 H new ATOM 0 HG LEU A 106 32.430 -8.378 -0.015 1.00 8.79 H new ATOM 0 HD11 LEU A 106 32.064 -10.731 0.690 1.00 9.54 H new ATOM 0 HD12 LEU A 106 30.603 -9.744 0.927 1.00 9.54 H new ATOM 0 HD13 LEU A 106 30.711 -10.855 -0.459 1.00 9.54 H new ATOM 0 HD21 LEU A 106 33.635 -10.222 -1.112 1.00 9.40 H new ATOM 0 HD22 LEU A 106 32.327 -10.358 -2.311 1.00 9.40 H new ATOM 0 HD23 LEU A 106 33.316 -8.881 -2.237 1.00 9.40 H new ATOM 1549 N GLU A 107 32.349 -7.259 -3.588 1.00 8.63 N ATOM 1550 CA GLU A 107 33.515 -7.245 -4.467 1.00 8.84 C ATOM 1551 C GLU A 107 33.994 -5.827 -4.708 1.00 8.19 C ATOM 1552 O GLU A 107 35.164 -5.507 -4.504 1.00 7.74 O ATOM 1553 CB GLU A 107 33.170 -7.889 -5.809 1.00 10.06 C ATOM 1554 CG GLU A 107 32.386 -9.181 -5.681 1.00 10.88 C ATOM 1555 CD GLU A 107 30.885 -8.956 -5.689 1.00 11.25 C ATOM 1556 OE1 GLU A 107 30.322 -8.623 -4.630 1.00 11.09 O ATOM 1557 OE2 GLU A 107 30.266 -9.104 -6.762 1.00 11.82 O ATOM 0 H GLU A 107 31.555 -7.779 -3.962 1.00 8.63 H new ATOM 0 HA GLU A 107 34.309 -7.810 -3.979 1.00 8.84 H new ATOM 0 HB2 GLU A 107 32.593 -7.181 -6.404 1.00 10.06 H new ATOM 0 HB3 GLU A 107 34.092 -8.087 -6.355 1.00 10.06 H new ATOM 0 HG2 GLU A 107 32.654 -9.847 -6.501 1.00 10.88 H new ATOM 0 HG3 GLU A 107 32.669 -9.684 -4.756 1.00 10.88 H new ATOM 1564 N ARG A 108 33.074 -4.983 -5.132 1.00 8.29 N ATOM 1565 CA ARG A 108 33.381 -3.598 -5.438 1.00 8.02 C ATOM 1566 C ARG A 108 33.806 -2.838 -4.194 1.00 6.88 C ATOM 1567 O ARG A 108 34.536 -1.863 -4.290 1.00 6.69 O ATOM 1568 CB ARG A 108 32.174 -2.917 -6.043 1.00 8.62 C ATOM 1569 CG ARG A 108 32.481 -1.658 -6.815 1.00 8.99 C ATOM 1570 CD ARG A 108 31.198 -1.094 -7.365 1.00 9.70 C ATOM 1571 NE ARG A 108 30.594 -1.986 -8.359 1.00 10.72 N ATOM 1572 CZ ARG A 108 29.958 -1.569 -9.457 1.00 11.45 C ATOM 1573 NH1 ARG A 108 29.815 -0.273 -9.702 1.00 11.31 N ATOM 1574 NH2 ARG A 108 29.467 -2.454 -10.314 1.00 12.41 N ATOM 0 H ARG A 108 32.096 -5.236 -5.274 1.00 8.29 H new ATOM 0 HA ARG A 108 34.206 -3.594 -6.150 1.00 8.02 H new ATOM 0 HB2 ARG A 108 31.672 -3.621 -6.707 1.00 8.62 H new ATOM 0 HB3 ARG A 108 31.472 -2.675 -5.245 1.00 8.62 H new ATOM 0 HG2 ARG A 108 32.966 -0.928 -6.167 1.00 8.99 H new ATOM 0 HG3 ARG A 108 33.176 -1.874 -7.627 1.00 8.99 H new ATOM 0 HD2 ARG A 108 30.494 -0.929 -6.549 1.00 9.70 H new ATOM 0 HD3 ARG A 108 31.393 -0.122 -7.819 1.00 9.70 H new ATOM 0 HE ARG A 108 30.664 -2.991 -8.202 1.00 10.72 H new ATOM 0 HH11 ARG A 108 30.192 0.414 -9.049 1.00 11.31 H new ATOM 0 HH12 ARG A 108 29.328 0.036 -10.543 1.00 11.31 H new ATOM 0 HH21 ARG A 108 29.575 -3.452 -10.134 1.00 12.41 H new ATOM 0 HH22 ARG A 108 28.981 -2.136 -11.153 1.00 12.41 H new ATOM 1588 N ALA A 109 33.320 -3.251 -3.033 1.00 6.30 N ATOM 1589 CA ALA A 109 33.709 -2.608 -1.798 1.00 5.34 C ATOM 1590 C ALA A 109 35.198 -2.792 -1.582 1.00 5.09 C ATOM 1591 O ALA A 109 35.924 -1.838 -1.349 1.00 4.76 O ATOM 1592 CB ALA A 109 32.945 -3.180 -0.621 1.00 5.03 C ATOM 0 H ALA A 109 32.661 -4.022 -2.925 1.00 6.30 H new ATOM 0 HA ALA A 109 33.474 -1.546 -1.871 1.00 5.34 H new ATOM 0 HB1 ALA A 109 33.258 -2.678 0.294 1.00 5.03 H new ATOM 0 HB2 ALA A 109 31.876 -3.027 -0.772 1.00 5.03 H new ATOM 0 HB3 ALA A 109 33.151 -4.247 -0.538 1.00 5.03 H new ATOM 1598 N LEU A 110 35.635 -4.038 -1.692 1.00 5.51 N ATOM 1599 CA LEU A 110 37.046 -4.377 -1.614 1.00 5.52 C ATOM 1600 C LEU A 110 37.809 -3.656 -2.716 1.00 5.67 C ATOM 1601 O LEU A 110 38.921 -3.178 -2.512 1.00 5.40 O ATOM 1602 CB LEU A 110 37.212 -5.883 -1.766 1.00 6.35 C ATOM 1603 CG LEU A 110 36.388 -6.723 -0.795 1.00 6.65 C ATOM 1604 CD1 LEU A 110 36.241 -8.139 -1.318 1.00 7.78 C ATOM 1605 CD2 LEU A 110 37.034 -6.725 0.575 1.00 6.44 C ATOM 0 H LEU A 110 35.022 -4.840 -1.838 1.00 5.51 H new ATOM 0 HA LEU A 110 37.443 -4.066 -0.648 1.00 5.52 H new ATOM 0 HB2 LEU A 110 36.942 -6.162 -2.784 1.00 6.35 H new ATOM 0 HB3 LEU A 110 38.265 -6.132 -1.636 1.00 6.35 H new ATOM 0 HG LEU A 110 35.394 -6.284 -0.707 1.00 6.65 H new ATOM 0 HD11 LEU A 110 35.651 -8.727 -0.615 1.00 7.78 H new ATOM 0 HD12 LEU A 110 35.739 -8.119 -2.285 1.00 7.78 H new ATOM 0 HD13 LEU A 110 37.227 -8.590 -1.430 1.00 7.78 H new ATOM 0 HD21 LEU A 110 36.436 -7.328 1.258 1.00 6.44 H new ATOM 0 HD22 LEU A 110 38.037 -7.145 0.504 1.00 6.44 H new ATOM 0 HD23 LEU A 110 37.094 -5.703 0.950 1.00 6.44 H new ATOM 1617 N ASP A 111 37.179 -3.588 -3.883 1.00 6.32 N ATOM 1618 CA ASP A 111 37.705 -2.835 -5.023 1.00 6.81 C ATOM 1619 C ASP A 111 37.933 -1.383 -4.626 1.00 6.41 C ATOM 1620 O ASP A 111 39.005 -0.812 -4.849 1.00 6.49 O ATOM 1621 CB ASP A 111 36.710 -2.878 -6.182 1.00 7.75 C ATOM 1622 CG ASP A 111 37.387 -2.766 -7.530 1.00 8.59 C ATOM 1623 OD1 ASP A 111 37.821 -3.807 -8.064 1.00 9.04 O ATOM 1624 OD2 ASP A 111 37.475 -1.646 -8.068 1.00 8.94 O ATOM 0 H ASP A 111 36.290 -4.052 -4.069 1.00 6.32 H new ATOM 0 HA ASP A 111 38.648 -3.286 -5.331 1.00 6.81 H new ATOM 0 HB2 ASP A 111 36.146 -3.810 -6.138 1.00 7.75 H new ATOM 0 HB3 ASP A 111 35.992 -2.065 -6.071 1.00 7.75 H new ATOM 1629 N TRP A 112 36.902 -0.806 -4.030 1.00 6.15 N ATOM 1630 CA TRP A 112 36.912 0.570 -3.568 1.00 6.12 C ATOM 1631 C TRP A 112 37.968 0.760 -2.492 1.00 5.57 C ATOM 1632 O TRP A 112 38.754 1.707 -2.527 1.00 5.97 O ATOM 1633 CB TRP A 112 35.532 0.928 -3.014 1.00 6.03 C ATOM 1634 CG TRP A 112 35.341 2.392 -2.760 1.00 6.48 C ATOM 1635 CD1 TRP A 112 34.778 3.298 -3.606 1.00 6.79 C ATOM 1636 CD2 TRP A 112 35.716 3.121 -1.583 1.00 7.05 C ATOM 1637 NE1 TRP A 112 34.781 4.545 -3.033 1.00 7.45 N ATOM 1638 CE2 TRP A 112 35.350 4.464 -1.790 1.00 7.60 C ATOM 1639 CE3 TRP A 112 36.322 2.770 -0.375 1.00 7.41 C ATOM 1640 CZ2 TRP A 112 35.575 5.453 -0.839 1.00 8.41 C ATOM 1641 CZ3 TRP A 112 36.545 3.752 0.569 1.00 8.25 C ATOM 1642 CH2 TRP A 112 36.168 5.079 0.335 1.00 8.69 C ATOM 0 H TRP A 112 36.022 -1.289 -3.852 1.00 6.15 H new ATOM 0 HA TRP A 112 37.150 1.226 -4.405 1.00 6.12 H new ATOM 0 HB2 TRP A 112 34.770 0.589 -3.716 1.00 6.03 H new ATOM 0 HB3 TRP A 112 35.373 0.384 -2.083 1.00 6.03 H new ATOM 0 HD1 TRP A 112 34.386 3.069 -4.586 1.00 6.79 H new ATOM 0 HE1 TRP A 112 34.418 5.395 -3.464 1.00 7.45 H new ATOM 0 HE3 TRP A 112 36.611 1.747 -0.183 1.00 7.41 H new ATOM 0 HZ2 TRP A 112 35.292 6.479 -1.021 1.00 8.41 H new ATOM 0 HZ3 TRP A 112 37.019 3.492 1.504 1.00 8.25 H new ATOM 0 HH2 TRP A 112 36.349 5.823 1.097 1.00 8.69 H new ATOM 1653 N ILE A 113 37.977 -0.160 -1.544 1.00 4.92 N ATOM 1654 CA ILE A 113 38.914 -0.120 -0.439 1.00 4.71 C ATOM 1655 C ILE A 113 40.352 -0.265 -0.937 1.00 4.95 C ATOM 1656 O ILE A 113 41.265 0.357 -0.409 1.00 5.25 O ATOM 1657 CB ILE A 113 38.593 -1.217 0.595 1.00 4.41 C ATOM 1658 CG1 ILE A 113 37.208 -0.981 1.200 1.00 4.22 C ATOM 1659 CG2 ILE A 113 39.647 -1.237 1.688 1.00 4.75 C ATOM 1660 CD1 ILE A 113 36.833 -1.950 2.292 1.00 4.30 C ATOM 0 H ILE A 113 37.336 -0.953 -1.520 1.00 4.92 H new ATOM 0 HA ILE A 113 38.814 0.851 0.047 1.00 4.71 H new ATOM 0 HB ILE A 113 38.596 -2.184 0.091 1.00 4.41 H new ATOM 0 HG12 ILE A 113 37.167 0.032 1.600 1.00 4.22 H new ATOM 0 HG13 ILE A 113 36.463 -1.040 0.406 1.00 4.22 H new ATOM 0 HG21 ILE A 113 39.407 -2.017 2.411 1.00 4.75 H new ATOM 0 HG22 ILE A 113 40.624 -1.438 1.248 1.00 4.75 H new ATOM 0 HG23 ILE A 113 39.668 -0.270 2.191 1.00 4.75 H new ATOM 0 HD11 ILE A 113 35.837 -1.711 2.665 1.00 4.30 H new ATOM 0 HD12 ILE A 113 36.838 -2.965 1.895 1.00 4.30 H new ATOM 0 HD13 ILE A 113 37.553 -1.876 3.107 1.00 4.30 H new ATOM 1672 N PHE A 114 40.542 -1.069 -1.973 1.00 5.07 N ATOM 1673 CA PHE A 114 41.861 -1.245 -2.571 1.00 5.37 C ATOM 1674 C PHE A 114 42.302 0.044 -3.257 1.00 5.85 C ATOM 1675 O PHE A 114 43.494 0.309 -3.405 1.00 6.10 O ATOM 1676 CB PHE A 114 41.850 -2.414 -3.567 1.00 5.75 C ATOM 1677 CG PHE A 114 43.196 -2.726 -4.158 1.00 6.09 C ATOM 1678 CD1 PHE A 114 44.138 -3.438 -3.432 1.00 6.17 C ATOM 1679 CD2 PHE A 114 43.519 -2.308 -5.437 1.00 6.53 C ATOM 1680 CE1 PHE A 114 45.376 -3.727 -3.973 1.00 6.62 C ATOM 1681 CE2 PHE A 114 44.754 -2.594 -5.984 1.00 6.91 C ATOM 1682 CZ PHE A 114 45.685 -3.305 -5.248 1.00 6.92 C ATOM 0 H PHE A 114 39.801 -1.610 -2.418 1.00 5.07 H new ATOM 0 HA PHE A 114 42.575 -1.480 -1.781 1.00 5.37 H new ATOM 0 HB2 PHE A 114 41.471 -3.303 -3.064 1.00 5.75 H new ATOM 0 HB3 PHE A 114 41.155 -2.184 -4.374 1.00 5.75 H new ATOM 0 HD1 PHE A 114 43.902 -3.771 -2.432 1.00 6.17 H new ATOM 0 HD2 PHE A 114 42.796 -1.751 -6.015 1.00 6.53 H new ATOM 0 HE1 PHE A 114 46.101 -4.283 -3.397 1.00 6.62 H new ATOM 0 HE2 PHE A 114 44.993 -2.263 -6.984 1.00 6.91 H new ATOM 0 HZ PHE A 114 46.653 -3.529 -5.672 1.00 6.92 H new