USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 672 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 50 THR OG1 : rot 131:sc= 0.529! USER MOD Set 1.2: A 66 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 87 TYR OH : rot 180:sc= 0.397 USER MOD Set 2.1: A 11 SER OG : rot -70:sc= 1.05 USER MOD Set 2.2: A 47 ASN : amide:sc= -0.032 X(o=1,f=0.87) USER MOD Set 3.1: A 5 THR OG1 : rot -154:sc= 0.868 USER MOD Set 3.2: A 8 ASN :FLIP amide:sc= -0.516 F(o=-2.9,f=0.35) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 136:sc= 0.0824 (180deg=0.000215) USER MOD Single : A 3 ASN : amide:sc= -0.378 K(o=-0.38,f=-2.8!) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 TYR OH : rot 114:sc= 0.0643 USER MOD Single : A 16 HIS : no HD1:sc= -11.8! C(o=-12!,f=-22!) USER MOD Single : A 17 ASN : amide:sc= -2.85! C(o=-2.8!,f=-8.2!) USER MOD Single : A 18 ASN : amide:sc= -0.0892 K(o=-0.089,f=-0.6) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.0558 X(o=-0.056,f=-0.37) USER MOD Single : A 31 THR OG1 : rot 136:sc= -1.67 USER MOD Single : A 32 MET CE :methyl -124:sc= -1.4 (180deg=-3.87!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -4.56! C(o=-4.6!,f=-4.3!) USER MOD Single : A 44 SER OG : rot -30:sc= -4.02! USER MOD Single : A 46 ASN : amide:sc= -1.13 K(o=-1.1,f=-4.7!) USER MOD Single : A 52 GLN :FLIP amide:sc= -0.121 F(o=-0.66,f=-0.12) USER MOD Single : A 54 GLN : amide:sc= -0.0804 K(o=-0.08,f=-1.8) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc=2.65e-06 USER MOD Single : A 68 GLN : amide:sc= -2.58! C(o=-2.6!,f=-5.1!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 130:sc= -0.17 USER MOD Single : A 74 ASN : amide:sc= -0.175 X(o=-0.18,f=-0.62) USER MOD Single : A 77 HIS : no HD1:sc= -7.49! C(o=-7.5!,f=-11!) USER MOD Single : A 79 HIS : no HE2:sc= -13.1! C(o=-13!,f=-14!) USER MOD Single : A 83 SER OG : rot 180:sc= -11.8! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.523 12.783 10.183 1.00 0.00 N ATOM 2 CA MET A 1 -3.473 12.547 9.213 1.00 0.00 C ATOM 3 C MET A 1 -3.037 11.090 9.265 1.00 0.00 C ATOM 4 O MET A 1 -3.432 10.353 10.165 1.00 0.00 O ATOM 5 CB MET A 1 -2.296 13.474 9.503 1.00 0.00 C ATOM 6 CG MET A 1 -2.316 14.644 8.524 1.00 0.00 C ATOM 7 SD MET A 1 -3.510 15.937 8.948 1.00 0.00 S ATOM 8 CE MET A 1 -3.775 16.638 7.300 1.00 0.00 C ATOM 0 H1 MET A 1 -4.336 13.673 10.687 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.439 12.848 9.694 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.549 11.998 10.864 1.00 0.00 H new ATOM 0 HA MET A 1 -3.847 12.757 8.211 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.353 13.842 10.527 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.358 12.927 9.413 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.320 15.084 8.479 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.543 14.267 7.527 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.490 17.458 7.364 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.829 17.011 6.907 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.165 15.867 6.635 1.00 0.00 H new ATOM 18 N ILE A 2 -2.218 10.676 8.295 1.00 0.00 N ATOM 19 CA ILE A 2 -1.729 9.313 8.234 1.00 0.00 C ATOM 20 C ILE A 2 -0.340 9.236 8.851 1.00 0.00 C ATOM 21 O ILE A 2 0.480 10.130 8.651 1.00 0.00 O ATOM 22 CB ILE A 2 -1.703 8.848 6.781 1.00 0.00 C ATOM 23 CG1 ILE A 2 -1.059 7.467 6.700 1.00 0.00 C ATOM 24 CG2 ILE A 2 -0.895 9.836 5.945 1.00 0.00 C ATOM 25 CD1 ILE A 2 -1.115 6.963 5.260 1.00 0.00 C ATOM 0 H ILE A 2 -1.883 11.276 7.541 1.00 0.00 H new ATOM 0 HA ILE A 2 -2.392 8.658 8.799 1.00 0.00 H new ATOM 0 HB ILE A 2 -2.722 8.796 6.398 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -0.024 7.516 7.039 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -1.578 6.772 7.360 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -0.876 9.504 4.907 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -1.355 10.823 6.002 1.00 0.00 H new ATOM 0 HG23 ILE A 2 0.124 9.888 6.328 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -0.655 5.977 5.202 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -2.154 6.899 4.937 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -0.576 7.654 4.612 1.00 0.00 H new ATOM 37 N ASN A 3 -0.077 8.165 9.603 1.00 0.00 N ATOM 38 CA ASN A 3 1.210 7.979 10.243 1.00 0.00 C ATOM 39 C ASN A 3 1.625 6.517 10.159 1.00 0.00 C ATOM 40 O ASN A 3 0.777 5.633 10.070 1.00 0.00 O ATOM 41 CB ASN A 3 1.124 8.434 11.697 1.00 0.00 C ATOM 42 CG ASN A 3 1.621 9.864 11.849 1.00 0.00 C ATOM 43 OD1 ASN A 3 2.364 10.358 11.004 1.00 0.00 O ATOM 44 ND2 ASN A 3 1.208 10.530 12.930 1.00 0.00 N ATOM 0 H ASN A 3 -0.746 7.416 9.779 1.00 0.00 H new ATOM 0 HA ASN A 3 1.963 8.578 9.731 1.00 0.00 H new ATOM 0 HB2 ASN A 3 0.093 8.364 12.044 1.00 0.00 H new ATOM 0 HB3 ASN A 3 1.717 7.770 12.326 1.00 0.00 H new ATOM 0 HD21 ASN A 3 1.510 11.492 13.082 1.00 0.00 H new ATOM 0 HD22 ASN A 3 0.591 10.076 13.604 1.00 0.00 H new ATOM 51 N ARG A 4 2.936 6.266 10.188 1.00 0.00 N ATOM 52 CA ARG A 4 3.457 4.916 10.115 1.00 0.00 C ATOM 53 C ARG A 4 3.249 4.210 11.447 1.00 0.00 C ATOM 54 O ARG A 4 3.878 4.560 12.443 1.00 0.00 O ATOM 55 CB ARG A 4 4.939 4.963 9.755 1.00 0.00 C ATOM 56 CG ARG A 4 5.436 3.550 9.459 1.00 0.00 C ATOM 57 CD ARG A 4 6.961 3.545 9.420 1.00 0.00 C ATOM 58 NE ARG A 4 7.518 3.089 10.694 1.00 0.00 N ATOM 59 CZ ARG A 4 7.668 1.792 10.998 1.00 0.00 C ATOM 60 NH1 ARG A 4 7.302 0.851 10.117 1.00 0.00 N ATOM 61 NH2 ARG A 4 8.183 1.436 12.183 1.00 0.00 N ATOM 0 H ARG A 4 3.652 6.989 10.262 1.00 0.00 H new ATOM 0 HA ARG A 4 2.926 4.358 9.344 1.00 0.00 H new ATOM 0 HB2 ARG A 4 5.093 5.604 8.887 1.00 0.00 H new ATOM 0 HB3 ARG A 4 5.510 5.396 10.576 1.00 0.00 H new ATOM 0 HG2 ARG A 4 5.079 2.860 10.223 1.00 0.00 H new ATOM 0 HG3 ARG A 4 5.036 3.205 8.506 1.00 0.00 H new ATOM 0 HD2 ARG A 4 7.305 2.895 8.615 1.00 0.00 H new ATOM 0 HD3 ARG A 4 7.326 4.548 9.198 1.00 0.00 H new ATOM 0 HE ARG A 4 7.804 3.788 11.380 1.00 0.00 H new ATOM 0 HH11 ARG A 4 6.909 1.122 9.215 1.00 0.00 H new ATOM 0 HH12 ARG A 4 7.416 -0.136 10.348 1.00 0.00 H new ATOM 0 HH21 ARG A 4 8.461 2.152 12.854 1.00 0.00 H new ATOM 0 HH22 ARG A 4 8.297 0.449 12.414 1.00 0.00 H new ATOM 75 N THR A 5 2.362 3.212 11.465 1.00 0.00 N ATOM 76 CA THR A 5 2.080 2.465 12.674 1.00 0.00 C ATOM 77 C THR A 5 2.581 1.035 12.530 1.00 0.00 C ATOM 78 O THR A 5 2.637 0.503 11.424 1.00 0.00 O ATOM 79 CB THR A 5 0.578 2.486 12.945 1.00 0.00 C ATOM 80 OG1 THR A 5 0.323 1.941 14.220 1.00 0.00 O ATOM 81 CG2 THR A 5 -0.142 1.659 11.884 1.00 0.00 C ATOM 0 H THR A 5 1.830 2.909 10.649 1.00 0.00 H new ATOM 0 HA THR A 5 2.596 2.925 13.517 1.00 0.00 H new ATOM 0 HB THR A 5 0.217 3.514 12.911 1.00 0.00 H new ATOM 0 HG1 THR A 5 -0.587 1.578 14.244 1.00 0.00 H new ATOM 0 HG21 THR A 5 -1.215 1.674 12.077 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.055 2.081 10.898 1.00 0.00 H new ATOM 0 HG23 THR A 5 0.219 0.631 11.917 1.00 0.00 H new ATOM 89 N ASP A 6 2.947 0.414 13.654 1.00 0.00 N ATOM 90 CA ASP A 6 3.442 -0.948 13.648 1.00 0.00 C ATOM 91 C ASP A 6 2.282 -1.918 13.827 1.00 0.00 C ATOM 92 O ASP A 6 2.437 -2.962 14.456 1.00 0.00 O ATOM 93 CB ASP A 6 4.469 -1.120 14.763 1.00 0.00 C ATOM 94 CG ASP A 6 5.711 -1.836 14.253 1.00 0.00 C ATOM 95 OD1 ASP A 6 5.584 -3.039 13.939 1.00 0.00 O ATOM 96 OD2 ASP A 6 6.765 -1.166 14.186 1.00 0.00 O ATOM 0 H ASP A 6 2.906 0.842 14.579 1.00 0.00 H new ATOM 0 HA ASP A 6 3.924 -1.161 12.694 1.00 0.00 H new ATOM 0 HB2 ASP A 6 4.745 -0.144 15.162 1.00 0.00 H new ATOM 0 HB3 ASP A 6 4.029 -1.687 15.584 1.00 0.00 H new ATOM 101 N CYS A 7 1.119 -1.569 13.272 1.00 0.00 N ATOM 102 CA CYS A 7 -0.058 -2.408 13.374 1.00 0.00 C ATOM 103 C CYS A 7 -0.483 -2.525 14.831 1.00 0.00 C ATOM 104 O CYS A 7 0.297 -2.964 15.673 1.00 0.00 O ATOM 105 CB CYS A 7 0.246 -3.783 12.787 1.00 0.00 C ATOM 106 SG CYS A 7 1.767 -3.845 11.808 1.00 0.00 S ATOM 0 H CYS A 7 0.976 -0.706 12.747 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.878 -1.961 12.812 1.00 0.00 H new ATOM 0 HB2 CYS A 7 0.319 -4.506 13.600 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -0.590 -4.092 12.160 1.00 0.00 H new ATOM 111 N ASN A 8 -1.724 -2.131 15.127 1.00 0.00 N ATOM 112 CA ASN A 8 -2.242 -2.195 16.478 1.00 0.00 C ATOM 113 C ASN A 8 -3.761 -2.291 16.448 1.00 0.00 C ATOM 114 O ASN A 8 -4.453 -1.358 16.849 1.00 0.00 O ATOM 115 CB ASN A 8 -1.795 -0.957 17.252 1.00 0.00 C ATOM 116 CG ASN A 8 -2.311 0.313 16.590 1.00 0.00 C ATOM 117 OD1 ASN A 8 -1.720 0.676 15.449 1.00 0.00 O flip ATOM 118 ND2 ASN A 8 -3.225 0.954 17.103 1.00 0.00 N flip ATOM 0 H ASN A 8 -2.383 -1.765 14.440 1.00 0.00 H new ATOM 0 HA ASN A 8 -1.853 -3.082 16.977 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -2.161 -1.012 18.277 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -0.707 -0.929 17.303 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -3.644 0.635 17.976 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -3.565 1.805 16.655 1.00 0.00 H new ATOM 125 N GLU A 9 -4.279 -3.425 15.970 1.00 0.00 N ATOM 126 CA GLU A 9 -5.710 -3.636 15.892 1.00 0.00 C ATOM 127 C GLU A 9 -6.009 -4.876 15.061 1.00 0.00 C ATOM 128 O GLU A 9 -7.003 -5.559 15.296 1.00 0.00 O ATOM 129 CB GLU A 9 -6.372 -2.404 15.280 1.00 0.00 C ATOM 130 CG GLU A 9 -7.368 -1.814 16.274 1.00 0.00 C ATOM 131 CD GLU A 9 -8.556 -1.197 15.552 1.00 0.00 C ATOM 132 OE1 GLU A 9 -8.338 -0.166 14.879 1.00 0.00 O ATOM 133 OE2 GLU A 9 -9.660 -1.767 15.685 1.00 0.00 O ATOM 0 H GLU A 9 -3.719 -4.208 15.632 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.111 -3.791 16.894 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -5.616 -1.662 15.023 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -6.882 -2.674 14.355 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -7.715 -2.593 16.953 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.874 -1.057 16.883 1.00 0.00 H new ATOM 140 N ASN A 10 -5.143 -5.167 14.088 1.00 0.00 N ATOM 141 CA ASN A 10 -5.317 -6.322 13.231 1.00 0.00 C ATOM 142 C ASN A 10 -6.126 -5.938 12.000 1.00 0.00 C ATOM 143 O ASN A 10 -5.957 -6.527 10.935 1.00 0.00 O ATOM 144 CB ASN A 10 -6.017 -7.431 14.012 1.00 0.00 C ATOM 145 CG ASN A 10 -5.700 -8.796 13.418 1.00 0.00 C ATOM 146 OD1 ASN A 10 -6.341 -9.223 12.461 1.00 0.00 O ATOM 147 ND2 ASN A 10 -4.706 -9.481 13.989 1.00 0.00 N ATOM 0 H ASN A 10 -4.314 -4.611 13.880 1.00 0.00 H new ATOM 0 HA ASN A 10 -4.343 -6.684 12.901 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -5.702 -7.402 15.055 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -7.094 -7.266 14.000 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.450 -10.401 13.632 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -4.203 -9.084 14.782 1.00 0.00 H new ATOM 154 N SER A 11 -7.005 -4.944 12.149 1.00 0.00 N ATOM 155 CA SER A 11 -7.832 -4.486 11.050 1.00 0.00 C ATOM 156 C SER A 11 -7.311 -3.153 10.533 1.00 0.00 C ATOM 157 O SER A 11 -7.816 -2.098 10.909 1.00 0.00 O ATOM 158 CB SER A 11 -9.277 -4.355 11.523 1.00 0.00 C ATOM 159 OG SER A 11 -9.854 -3.201 10.955 1.00 0.00 O ATOM 0 H SER A 11 -7.156 -4.445 13.026 1.00 0.00 H new ATOM 0 HA SER A 11 -7.794 -5.209 10.235 1.00 0.00 H new ATOM 0 HB2 SER A 11 -9.847 -5.239 11.235 1.00 0.00 H new ATOM 0 HB3 SER A 11 -9.311 -4.294 12.611 1.00 0.00 H new ATOM 0 HG SER A 11 -9.448 -2.403 11.353 1.00 0.00 H new ATOM 165 N TYR A 12 -6.297 -3.203 9.665 1.00 0.00 N ATOM 166 CA TYR A 12 -5.715 -2.001 9.103 1.00 0.00 C ATOM 167 C TYR A 12 -5.028 -2.329 7.785 1.00 0.00 C ATOM 168 O TYR A 12 -5.026 -3.479 7.353 1.00 0.00 O ATOM 169 CB TYR A 12 -4.722 -1.405 10.097 1.00 0.00 C ATOM 170 CG TYR A 12 -5.342 -0.402 11.039 1.00 0.00 C ATOM 171 CD1 TYR A 12 -6.267 0.532 10.558 1.00 0.00 C ATOM 172 CD2 TYR A 12 -4.991 -0.405 12.395 1.00 0.00 C ATOM 173 CE1 TYR A 12 -6.842 1.463 11.432 1.00 0.00 C ATOM 174 CE2 TYR A 12 -5.566 0.526 13.269 1.00 0.00 C ATOM 175 CZ TYR A 12 -6.491 1.459 12.787 1.00 0.00 C ATOM 176 OH TYR A 12 -7.052 2.366 13.639 1.00 0.00 O ATOM 0 H TYR A 12 -5.868 -4.070 9.341 1.00 0.00 H new ATOM 0 HA TYR A 12 -6.499 -1.269 8.909 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -4.275 -2.211 10.679 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -3.914 -0.923 9.547 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -6.537 0.535 9.512 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -4.277 -1.125 12.766 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -7.556 2.184 11.061 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -5.296 0.524 14.315 1.00 0.00 H new ATOM 0 HH TYR A 12 -7.621 1.899 14.286 1.00 0.00 H new ATOM 186 N LEU A 13 -4.444 -1.312 7.145 1.00 0.00 N ATOM 187 CA LEU A 13 -3.758 -1.496 5.882 1.00 0.00 C ATOM 188 C LEU A 13 -2.281 -1.768 6.131 1.00 0.00 C ATOM 189 O LEU A 13 -1.604 -0.978 6.786 1.00 0.00 O ATOM 190 CB LEU A 13 -3.940 -0.252 5.019 1.00 0.00 C ATOM 191 CG LEU A 13 -2.814 -0.176 3.992 1.00 0.00 C ATOM 192 CD1 LEU A 13 -3.162 -1.048 2.789 1.00 0.00 C ATOM 193 CD2 LEU A 13 -2.637 1.270 3.537 1.00 0.00 C ATOM 0 H LEU A 13 -4.438 -0.352 7.490 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.181 -2.352 5.356 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.905 -0.285 4.514 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.937 0.641 5.644 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.887 -0.532 4.443 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.358 -0.994 2.055 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.289 -2.081 3.113 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.089 -0.693 2.338 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.833 1.325 2.803 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.564 1.626 3.087 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.388 1.894 4.396 1.00 0.00 H new ATOM 205 N GLU A 14 -1.781 -2.889 5.607 1.00 0.00 N ATOM 206 CA GLU A 14 -0.389 -3.254 5.775 1.00 0.00 C ATOM 207 C GLU A 14 0.214 -3.637 4.431 1.00 0.00 C ATOM 208 O GLU A 14 -0.445 -4.270 3.609 1.00 0.00 O ATOM 209 CB GLU A 14 -0.284 -4.412 6.763 1.00 0.00 C ATOM 210 CG GLU A 14 -1.260 -4.188 7.915 1.00 0.00 C ATOM 211 CD GLU A 14 -2.299 -5.299 7.971 1.00 0.00 C ATOM 212 OE1 GLU A 14 -3.223 -5.255 7.130 1.00 0.00 O ATOM 213 OE2 GLU A 14 -2.149 -6.172 8.853 1.00 0.00 O ATOM 0 H GLU A 14 -2.328 -3.556 5.063 1.00 0.00 H new ATOM 0 HA GLU A 14 0.167 -2.403 6.169 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.507 -5.354 6.261 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.734 -4.487 7.144 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.713 -4.148 8.857 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.757 -3.226 7.794 1.00 0.00 H new ATOM 220 N ILE A 15 1.473 -3.250 4.208 1.00 0.00 N ATOM 221 CA ILE A 15 2.161 -3.554 2.970 1.00 0.00 C ATOM 222 C ILE A 15 3.533 -4.138 3.273 1.00 0.00 C ATOM 223 O ILE A 15 4.348 -3.501 3.937 1.00 0.00 O ATOM 224 CB ILE A 15 2.285 -2.284 2.133 1.00 0.00 C ATOM 225 CG1 ILE A 15 0.923 -1.601 2.038 1.00 0.00 C ATOM 226 CG2 ILE A 15 2.772 -2.644 0.732 1.00 0.00 C ATOM 227 CD1 ILE A 15 1.113 -0.142 1.636 1.00 0.00 C ATOM 0 H ILE A 15 2.031 -2.723 4.879 1.00 0.00 H new ATOM 0 HA ILE A 15 1.592 -4.291 2.404 1.00 0.00 H new ATOM 0 HB ILE A 15 2.998 -1.607 2.604 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.298 -2.113 1.306 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.406 -1.661 2.996 1.00 0.00 H new ATOM 0 HG21 ILE A 15 2.861 -1.737 0.134 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.745 -3.131 0.799 1.00 0.00 H new ATOM 0 HG23 ILE A 15 2.059 -3.321 0.262 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.141 0.346 1.568 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.722 0.365 2.384 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.612 -0.093 0.668 1.00 0.00 H new ATOM 239 N HIS A 16 3.789 -5.354 2.784 1.00 0.00 N ATOM 240 CA HIS A 16 5.058 -6.017 3.004 1.00 0.00 C ATOM 241 C HIS A 16 5.729 -6.304 1.669 1.00 0.00 C ATOM 242 O HIS A 16 5.347 -7.239 0.968 1.00 0.00 O ATOM 243 CB HIS A 16 4.827 -7.310 3.782 1.00 0.00 C ATOM 244 CG HIS A 16 3.998 -8.306 3.019 1.00 0.00 C ATOM 245 ND1 HIS A 16 4.485 -9.362 2.273 1.00 0.00 N ATOM 246 CD2 HIS A 16 2.633 -8.322 2.944 1.00 0.00 C ATOM 247 CE1 HIS A 16 3.427 -10.011 1.751 1.00 0.00 C ATOM 248 NE2 HIS A 16 2.295 -9.397 2.146 1.00 0.00 N ATOM 0 H HIS A 16 3.124 -5.895 2.231 1.00 0.00 H new ATOM 0 HA HIS A 16 5.714 -5.370 3.586 1.00 0.00 H new ATOM 0 HB2 HIS A 16 5.790 -7.758 4.029 1.00 0.00 H new ATOM 0 HB3 HIS A 16 4.332 -7.078 4.725 1.00 0.00 H new ATOM 0 HD2 HIS A 16 1.952 -7.629 3.416 1.00 0.00 H new ATOM 0 HE1 HIS A 16 3.478 -10.884 1.117 1.00 0.00 H new ATOM 0 HE2 HIS A 16 1.347 -9.679 1.897 1.00 0.00 H new ATOM 257 N ASN A 17 6.733 -5.496 1.316 1.00 0.00 N ATOM 258 CA ASN A 17 7.449 -5.670 0.069 1.00 0.00 C ATOM 259 C ASN A 17 8.772 -6.379 0.324 1.00 0.00 C ATOM 260 O ASN A 17 9.031 -6.832 1.437 1.00 0.00 O ATOM 261 CB ASN A 17 7.683 -4.307 -0.576 1.00 0.00 C ATOM 262 CG ASN A 17 8.378 -3.360 0.392 1.00 0.00 C ATOM 263 OD1 ASN A 17 8.619 -3.714 1.544 1.00 0.00 O ATOM 264 ND2 ASN A 17 8.702 -2.154 -0.078 1.00 0.00 N ATOM 0 H ASN A 17 7.062 -4.716 1.885 1.00 0.00 H new ATOM 0 HA ASN A 17 6.857 -6.284 -0.610 1.00 0.00 H new ATOM 0 HB2 ASN A 17 8.289 -4.425 -1.474 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.730 -3.880 -0.888 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.171 -1.480 0.527 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.481 -1.906 -1.042 1.00 0.00 H new ATOM 271 N ASN A 18 9.610 -6.473 -0.710 1.00 0.00 N ATOM 272 CA ASN A 18 10.899 -7.124 -0.592 1.00 0.00 C ATOM 273 C ASN A 18 10.710 -8.582 -0.197 1.00 0.00 C ATOM 274 O ASN A 18 11.514 -9.135 0.549 1.00 0.00 O ATOM 275 CB ASN A 18 11.744 -6.389 0.445 1.00 0.00 C ATOM 276 CG ASN A 18 12.487 -5.221 -0.189 1.00 0.00 C ATOM 277 OD1 ASN A 18 13.089 -5.369 -1.250 1.00 0.00 O ATOM 278 ND2 ASN A 18 12.442 -4.058 0.463 1.00 0.00 N ATOM 0 H ASN A 18 9.410 -6.102 -1.639 1.00 0.00 H new ATOM 0 HA ASN A 18 11.414 -7.094 -1.552 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.105 -6.025 1.249 1.00 0.00 H new ATOM 0 HB3 ASN A 18 12.458 -7.079 0.893 1.00 0.00 H new ATOM 0 HD21 ASN A 18 12.921 -3.242 0.083 1.00 0.00 H new ATOM 0 HD22 ASN A 18 11.929 -3.985 1.341 1.00 0.00 H new ATOM 285 N GLU A 19 9.642 -9.204 -0.701 1.00 0.00 N ATOM 286 CA GLU A 19 9.356 -10.593 -0.399 1.00 0.00 C ATOM 287 C GLU A 19 9.004 -10.742 1.074 1.00 0.00 C ATOM 288 O GLU A 19 9.156 -11.819 1.645 1.00 0.00 O ATOM 289 CB GLU A 19 10.568 -11.449 -0.755 1.00 0.00 C ATOM 290 CG GLU A 19 10.768 -11.444 -2.268 1.00 0.00 C ATOM 291 CD GLU A 19 11.985 -12.271 -2.657 1.00 0.00 C ATOM 292 OE1 GLU A 19 13.103 -11.724 -2.542 1.00 0.00 O ATOM 293 OE2 GLU A 19 11.774 -13.434 -3.064 1.00 0.00 O ATOM 0 H GLU A 19 8.964 -8.760 -1.321 1.00 0.00 H new ATOM 0 HA GLU A 19 8.503 -10.928 -0.989 1.00 0.00 H new ATOM 0 HB2 GLU A 19 11.458 -11.062 -0.259 1.00 0.00 H new ATOM 0 HB3 GLU A 19 10.423 -12.469 -0.400 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.880 -11.844 -2.758 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.892 -10.420 -2.619 1.00 0.00 H new ATOM 300 N GLY A 20 8.529 -9.656 1.690 1.00 0.00 N ATOM 301 CA GLY A 20 8.159 -9.677 3.091 1.00 0.00 C ATOM 302 C GLY A 20 9.363 -9.339 3.959 1.00 0.00 C ATOM 303 O GLY A 20 9.598 -9.986 4.978 1.00 0.00 O ATOM 0 H GLY A 20 8.395 -8.754 1.232 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.358 -8.961 3.274 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.774 -10.661 3.358 1.00 0.00 H new ATOM 307 N ARG A 21 10.126 -8.322 3.554 1.00 0.00 N ATOM 308 CA ARG A 21 11.300 -7.904 4.293 1.00 0.00 C ATOM 309 C ARG A 21 10.954 -6.722 5.186 1.00 0.00 C ATOM 310 O ARG A 21 11.325 -6.697 6.358 1.00 0.00 O ATOM 311 CB ARG A 21 12.412 -7.535 3.314 1.00 0.00 C ATOM 312 CG ARG A 21 13.744 -7.475 4.057 1.00 0.00 C ATOM 313 CD ARG A 21 13.827 -6.174 4.849 1.00 0.00 C ATOM 314 NE ARG A 21 15.205 -5.685 4.913 1.00 0.00 N ATOM 315 CZ ARG A 21 15.880 -5.273 3.831 1.00 0.00 C ATOM 316 NH1 ARG A 21 15.294 -5.297 2.626 1.00 0.00 N ATOM 317 NH2 ARG A 21 17.141 -4.838 3.954 1.00 0.00 N ATOM 0 H ARG A 21 9.943 -7.775 2.712 1.00 0.00 H new ATOM 0 HA ARG A 21 11.647 -8.722 4.925 1.00 0.00 H new ATOM 0 HB2 ARG A 21 12.464 -8.271 2.512 1.00 0.00 H new ATOM 0 HB3 ARG A 21 12.198 -6.572 2.850 1.00 0.00 H new ATOM 0 HG2 ARG A 21 13.837 -8.328 4.729 1.00 0.00 H new ATOM 0 HG3 ARG A 21 14.571 -7.535 3.349 1.00 0.00 H new ATOM 0 HD2 ARG A 21 13.191 -5.420 4.384 1.00 0.00 H new ATOM 0 HD3 ARG A 21 13.447 -6.334 5.858 1.00 0.00 H new ATOM 0 HE ARG A 21 15.671 -5.657 5.820 1.00 0.00 H new ATOM 0 HH11 ARG A 21 14.334 -5.629 2.532 1.00 0.00 H new ATOM 0 HH12 ARG A 21 15.808 -4.983 1.803 1.00 0.00 H new ATOM 0 HH21 ARG A 21 17.587 -4.820 4.871 1.00 0.00 H new ATOM 0 HH22 ARG A 21 17.655 -4.524 3.131 1.00 0.00 H new ATOM 331 N ASP A 22 10.239 -5.741 4.630 1.00 0.00 N ATOM 332 CA ASP A 22 9.848 -4.563 5.378 1.00 0.00 C ATOM 333 C ASP A 22 8.345 -4.355 5.261 1.00 0.00 C ATOM 334 O ASP A 22 7.830 -4.134 4.167 1.00 0.00 O ATOM 335 CB ASP A 22 10.605 -3.349 4.846 1.00 0.00 C ATOM 336 CG ASP A 22 12.062 -3.383 5.283 1.00 0.00 C ATOM 337 OD1 ASP A 22 12.373 -4.221 6.157 1.00 0.00 O ATOM 338 OD2 ASP A 22 12.838 -2.571 4.734 1.00 0.00 O ATOM 0 H ASP A 22 9.922 -5.748 3.660 1.00 0.00 H new ATOM 0 HA ASP A 22 10.096 -4.696 6.431 1.00 0.00 H new ATOM 0 HB2 ASP A 22 10.548 -3.328 3.758 1.00 0.00 H new ATOM 0 HB3 ASP A 22 10.134 -2.435 5.207 1.00 0.00 H new ATOM 343 N THR A 23 7.639 -4.426 6.392 1.00 0.00 N ATOM 344 CA THR A 23 6.202 -4.244 6.406 1.00 0.00 C ATOM 345 C THR A 23 5.860 -2.848 6.907 1.00 0.00 C ATOM 346 O THR A 23 6.562 -2.301 7.754 1.00 0.00 O ATOM 347 CB THR A 23 5.564 -5.309 7.294 1.00 0.00 C ATOM 348 OG1 THR A 23 5.864 -6.588 6.783 1.00 0.00 O ATOM 349 CG2 THR A 23 4.051 -5.112 7.317 1.00 0.00 C ATOM 0 H THR A 23 8.049 -4.609 7.308 1.00 0.00 H new ATOM 0 HA THR A 23 5.810 -4.349 5.394 1.00 0.00 H new ATOM 0 HB THR A 23 5.957 -5.221 8.307 1.00 0.00 H new ATOM 0 HG1 THR A 23 5.456 -7.272 7.354 1.00 0.00 H new ATOM 0 HG21 THR A 23 3.595 -5.872 7.951 1.00 0.00 H new ATOM 0 HG22 THR A 23 3.819 -4.123 7.712 1.00 0.00 H new ATOM 0 HG23 THR A 23 3.657 -5.200 6.304 1.00 0.00 H new ATOM 357 N LEU A 24 4.776 -2.273 6.381 1.00 0.00 N ATOM 358 CA LEU A 24 4.346 -0.947 6.776 1.00 0.00 C ATOM 359 C LEU A 24 2.845 -0.946 7.033 1.00 0.00 C ATOM 360 O LEU A 24 2.059 -1.230 6.132 1.00 0.00 O ATOM 361 CB LEU A 24 4.707 0.052 5.680 1.00 0.00 C ATOM 362 CG LEU A 24 6.062 -0.316 5.084 1.00 0.00 C ATOM 363 CD1 LEU A 24 5.894 -0.652 3.605 1.00 0.00 C ATOM 364 CD2 LEU A 24 7.020 0.864 5.232 1.00 0.00 C ATOM 0 H LEU A 24 4.183 -2.715 5.678 1.00 0.00 H new ATOM 0 HA LEU A 24 4.852 -0.656 7.696 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.943 0.048 4.903 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.740 1.062 6.090 1.00 0.00 H new ATOM 0 HG LEU A 24 6.467 -1.181 5.609 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.862 -0.915 3.179 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.210 -1.494 3.499 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.489 0.213 3.079 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.989 0.602 4.806 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.615 1.729 4.707 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.141 1.104 6.288 1.00 0.00 H new ATOM 376 N CYS A 25 2.450 -0.624 8.267 1.00 0.00 N ATOM 377 CA CYS A 25 1.050 -0.587 8.637 1.00 0.00 C ATOM 378 C CYS A 25 0.595 0.857 8.786 1.00 0.00 C ATOM 379 O CYS A 25 1.226 1.639 9.493 1.00 0.00 O ATOM 380 CB CYS A 25 0.848 -1.355 9.940 1.00 0.00 C ATOM 381 SG CYS A 25 1.798 -2.893 10.042 1.00 0.00 S ATOM 0 H CYS A 25 3.091 -0.385 9.024 1.00 0.00 H new ATOM 0 HA CYS A 25 0.451 -1.058 7.857 1.00 0.00 H new ATOM 0 HB2 CYS A 25 1.125 -0.712 10.776 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.211 -1.586 10.053 1.00 0.00 H new ATOM 386 N PHE A 26 -0.505 1.212 8.116 1.00 0.00 N ATOM 387 CA PHE A 26 -1.035 2.559 8.179 1.00 0.00 C ATOM 388 C PHE A 26 -2.422 2.539 8.805 1.00 0.00 C ATOM 389 O PHE A 26 -3.118 1.528 8.746 1.00 0.00 O ATOM 390 CB PHE A 26 -1.084 3.151 6.773 1.00 0.00 C ATOM 391 CG PHE A 26 0.274 3.279 6.125 1.00 0.00 C ATOM 392 CD1 PHE A 26 1.155 4.285 6.539 1.00 0.00 C ATOM 393 CD2 PHE A 26 0.652 2.389 5.113 1.00 0.00 C ATOM 394 CE1 PHE A 26 2.415 4.402 5.939 1.00 0.00 C ATOM 395 CE2 PHE A 26 1.912 2.506 4.513 1.00 0.00 C ATOM 396 CZ PHE A 26 2.793 3.512 4.926 1.00 0.00 C ATOM 0 H PHE A 26 -1.041 0.577 7.525 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.388 3.180 8.798 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -1.719 2.525 6.146 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.550 4.135 6.818 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.863 4.971 7.321 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -0.028 1.612 4.795 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.095 5.178 6.257 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.204 1.820 3.732 1.00 0.00 H new ATOM 0 HZ PHE A 26 3.765 3.602 4.463 1.00 0.00 H new ATOM 406 N ALA A 27 -2.823 3.661 9.407 1.00 0.00 N ATOM 407 CA ALA A 27 -4.122 3.767 10.041 1.00 0.00 C ATOM 408 C ALA A 27 -4.728 5.132 9.749 1.00 0.00 C ATOM 409 O ALA A 27 -4.081 5.984 9.146 1.00 0.00 O ATOM 410 CB ALA A 27 -3.972 3.552 11.545 1.00 0.00 C ATOM 0 H ALA A 27 -2.258 4.508 9.464 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.789 3.003 9.643 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -4.948 3.631 12.023 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.556 2.562 11.731 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.304 4.309 11.956 1.00 0.00 H new ATOM 416 N ASN A 28 -5.976 5.337 10.179 1.00 0.00 N ATOM 417 CA ASN A 28 -6.660 6.596 9.961 1.00 0.00 C ATOM 418 C ASN A 28 -6.913 6.798 8.474 1.00 0.00 C ATOM 419 O ASN A 28 -6.107 6.387 7.643 1.00 0.00 O ATOM 420 CB ASN A 28 -5.817 7.736 10.525 1.00 0.00 C ATOM 421 CG ASN A 28 -6.015 7.865 12.029 1.00 0.00 C ATOM 422 OD1 ASN A 28 -7.147 7.910 12.506 1.00 0.00 O ATOM 423 ND2 ASN A 28 -4.910 7.923 12.776 1.00 0.00 N ATOM 0 H ASN A 28 -6.527 4.640 10.680 1.00 0.00 H new ATOM 0 HA ASN A 28 -7.622 6.584 10.473 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -4.764 7.558 10.307 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -6.090 8.672 10.037 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.984 8.009 13.790 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.992 7.882 12.333 1.00 0.00 H new ATOM 430 N ALA A 29 -8.039 7.434 8.141 1.00 0.00 N ATOM 431 CA ALA A 29 -8.393 7.687 6.759 1.00 0.00 C ATOM 432 C ALA A 29 -7.361 8.607 6.122 1.00 0.00 C ATOM 433 O ALA A 29 -7.396 8.841 4.916 1.00 0.00 O ATOM 434 CB ALA A 29 -9.785 8.311 6.697 1.00 0.00 C ATOM 0 H ALA A 29 -8.718 7.781 8.819 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.405 6.748 6.205 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -10.052 8.502 5.658 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.510 7.627 7.139 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -9.788 9.250 7.251 1.00 0.00 H new ATOM 440 N GLY A 30 -6.440 9.129 6.935 1.00 0.00 N ATOM 441 CA GLY A 30 -5.407 10.019 6.443 1.00 0.00 C ATOM 442 C GLY A 30 -4.870 9.517 5.110 1.00 0.00 C ATOM 443 O GLY A 30 -4.955 8.328 4.812 1.00 0.00 O ATOM 0 H GLY A 30 -6.396 8.945 7.937 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.810 11.025 6.325 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.596 10.083 7.169 1.00 0.00 H new ATOM 447 N THR A 31 -4.315 10.428 4.308 1.00 0.00 N ATOM 448 CA THR A 31 -3.768 10.070 3.014 1.00 0.00 C ATOM 449 C THR A 31 -2.467 10.824 2.775 1.00 0.00 C ATOM 450 O THR A 31 -2.453 12.052 2.758 1.00 0.00 O ATOM 451 CB THR A 31 -4.787 10.392 1.925 1.00 0.00 C ATOM 452 OG1 THR A 31 -5.880 9.506 2.028 1.00 0.00 O ATOM 453 CG2 THR A 31 -4.134 10.237 0.555 1.00 0.00 C ATOM 0 H THR A 31 -4.236 11.418 4.540 1.00 0.00 H new ATOM 0 HA THR A 31 -3.554 9.001 2.990 1.00 0.00 H new ATOM 0 HB THR A 31 -5.137 11.417 2.046 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.717 10.006 1.930 1.00 0.00 H new ATOM 0 HG21 THR A 31 -4.862 10.467 -0.223 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.289 10.921 0.475 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.784 9.212 0.433 1.00 0.00 H new ATOM 461 N MET A 32 -1.372 10.083 2.588 1.00 0.00 N ATOM 462 CA MET A 32 -0.075 10.685 2.353 1.00 0.00 C ATOM 463 C MET A 32 0.698 9.865 1.330 1.00 0.00 C ATOM 464 O MET A 32 0.412 8.687 1.130 1.00 0.00 O ATOM 465 CB MET A 32 0.692 10.769 3.669 1.00 0.00 C ATOM 466 CG MET A 32 1.055 9.363 4.137 1.00 0.00 C ATOM 467 SD MET A 32 2.334 9.322 5.418 1.00 0.00 S ATOM 468 CE MET A 32 2.430 7.533 5.674 1.00 0.00 C ATOM 0 H MET A 32 -1.367 9.063 2.596 1.00 0.00 H new ATOM 0 HA MET A 32 -0.205 11.693 1.958 1.00 0.00 H new ATOM 0 HB2 MET A 32 1.595 11.365 3.538 1.00 0.00 H new ATOM 0 HB3 MET A 32 0.086 11.270 4.424 1.00 0.00 H new ATOM 0 HG2 MET A 32 0.158 8.875 4.518 1.00 0.00 H new ATOM 0 HG3 MET A 32 1.395 8.782 3.280 1.00 0.00 H new ATOM 0 HE1 MET A 32 2.255 7.306 6.726 1.00 0.00 H new ATOM 0 HE2 MET A 32 1.674 7.037 5.065 1.00 0.00 H new ATOM 0 HE3 MET A 32 3.419 7.177 5.386 1.00 0.00 H new ATOM 478 N PRO A 33 1.683 10.492 0.683 1.00 0.00 N ATOM 479 CA PRO A 33 2.524 9.874 -0.319 1.00 0.00 C ATOM 480 C PRO A 33 3.487 8.904 0.351 1.00 0.00 C ATOM 481 O PRO A 33 4.026 9.198 1.416 1.00 0.00 O ATOM 482 CB PRO A 33 3.278 11.033 -0.968 1.00 0.00 C ATOM 483 CG PRO A 33 3.381 12.048 0.170 1.00 0.00 C ATOM 484 CD PRO A 33 2.047 11.877 0.893 1.00 0.00 C ATOM 0 HA PRO A 33 1.957 9.303 -1.055 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.260 10.726 -1.327 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.738 11.438 -1.824 1.00 0.00 H new ATOM 0 HG2 PRO A 33 4.227 11.838 0.825 1.00 0.00 H new ATOM 0 HG3 PRO A 33 3.512 13.064 -0.204 1.00 0.00 H new ATOM 0 HD2 PRO A 33 2.142 12.104 1.955 1.00 0.00 H new ATOM 0 HD3 PRO A 33 1.290 12.550 0.490 1.00 0.00 H new ATOM 492 N VAL A 34 3.701 7.744 -0.275 1.00 0.00 N ATOM 493 CA VAL A 34 4.595 6.738 0.262 1.00 0.00 C ATOM 494 C VAL A 34 5.367 6.077 -0.871 1.00 0.00 C ATOM 495 O VAL A 34 4.969 6.166 -2.030 1.00 0.00 O ATOM 496 CB VAL A 34 3.786 5.705 1.041 1.00 0.00 C ATOM 497 CG1 VAL A 34 2.854 6.417 2.016 1.00 0.00 C ATOM 498 CG2 VAL A 34 2.960 4.868 0.068 1.00 0.00 C ATOM 0 H VAL A 34 3.261 7.486 -1.158 1.00 0.00 H new ATOM 0 HA VAL A 34 5.311 7.205 0.938 1.00 0.00 H new ATOM 0 HB VAL A 34 4.464 5.056 1.595 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.276 5.679 2.572 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.443 7.016 2.711 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.176 7.066 1.463 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.382 4.130 0.623 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.282 5.517 -0.486 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.625 4.358 -0.629 1.00 0.00 H new ATOM 508 N ALA A 35 6.474 5.413 -0.532 1.00 0.00 N ATOM 509 CA ALA A 35 7.296 4.743 -1.520 1.00 0.00 C ATOM 510 C ALA A 35 7.545 3.303 -1.092 1.00 0.00 C ATOM 511 O ALA A 35 8.257 3.057 -0.121 1.00 0.00 O ATOM 512 CB ALA A 35 8.613 5.495 -1.680 1.00 0.00 C ATOM 0 H ALA A 35 6.816 5.330 0.425 1.00 0.00 H new ATOM 0 HA ALA A 35 6.781 4.732 -2.481 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.232 4.991 -2.423 1.00 0.00 H new ATOM 0 HB2 ALA A 35 8.412 6.515 -2.006 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.138 5.516 -0.725 1.00 0.00 H new ATOM 518 N ILE A 36 6.956 2.352 -1.820 1.00 0.00 N ATOM 519 CA ILE A 36 7.117 0.944 -1.515 1.00 0.00 C ATOM 520 C ILE A 36 7.543 0.192 -2.768 1.00 0.00 C ATOM 521 O ILE A 36 6.759 0.043 -3.702 1.00 0.00 O ATOM 522 CB ILE A 36 5.804 0.389 -0.970 1.00 0.00 C ATOM 523 CG1 ILE A 36 5.562 0.938 0.433 1.00 0.00 C ATOM 524 CG2 ILE A 36 5.880 -1.134 -0.915 1.00 0.00 C ATOM 525 CD1 ILE A 36 4.281 1.767 0.442 1.00 0.00 C ATOM 0 H ILE A 36 6.362 2.541 -2.627 1.00 0.00 H new ATOM 0 HA ILE A 36 7.891 0.817 -0.758 1.00 0.00 H new ATOM 0 HB ILE A 36 4.984 0.689 -1.623 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.482 0.118 1.147 1.00 0.00 H new ATOM 0 HG13 ILE A 36 6.407 1.552 0.746 1.00 0.00 H new ATOM 0 HG21 ILE A 36 4.943 -1.531 -0.526 1.00 0.00 H new ATOM 0 HG22 ILE A 36 6.052 -1.526 -1.917 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.700 -1.434 -0.262 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.108 2.159 1.444 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.379 2.595 -0.260 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.440 1.140 0.148 1.00 0.00 H new ATOM 537 N TYR A 37 8.790 -0.284 -2.786 1.00 0.00 N ATOM 538 CA TYR A 37 9.311 -1.015 -3.923 1.00 0.00 C ATOM 539 C TYR A 37 9.330 -2.506 -3.614 1.00 0.00 C ATOM 540 O TYR A 37 9.713 -2.910 -2.519 1.00 0.00 O ATOM 541 CB TYR A 37 10.715 -0.514 -4.249 1.00 0.00 C ATOM 542 CG TYR A 37 10.786 0.979 -4.467 1.00 0.00 C ATOM 543 CD1 TYR A 37 10.733 1.850 -3.372 1.00 0.00 C ATOM 544 CD2 TYR A 37 10.906 1.492 -5.764 1.00 0.00 C ATOM 545 CE1 TYR A 37 10.799 3.233 -3.573 1.00 0.00 C ATOM 546 CE2 TYR A 37 10.972 2.876 -5.966 1.00 0.00 C ATOM 547 CZ TYR A 37 10.919 3.747 -4.871 1.00 0.00 C ATOM 548 OH TYR A 37 10.984 5.095 -5.067 1.00 0.00 O ATOM 0 H TYR A 37 9.453 -0.171 -2.019 1.00 0.00 H new ATOM 0 HA TYR A 37 8.670 -0.851 -4.789 1.00 0.00 H new ATOM 0 HB2 TYR A 37 11.388 -0.787 -3.436 1.00 0.00 H new ATOM 0 HB3 TYR A 37 11.075 -1.021 -5.144 1.00 0.00 H new ATOM 0 HD1 TYR A 37 10.641 1.454 -2.371 1.00 0.00 H new ATOM 0 HD2 TYR A 37 10.948 0.820 -6.609 1.00 0.00 H new ATOM 0 HE1 TYR A 37 10.757 3.904 -2.728 1.00 0.00 H new ATOM 0 HE2 TYR A 37 11.064 3.272 -6.967 1.00 0.00 H new ATOM 0 HH TYR A 37 11.066 5.283 -6.025 1.00 0.00 H new ATOM 558 N GLY A 38 8.913 -3.324 -4.583 1.00 0.00 N ATOM 559 CA GLY A 38 8.886 -4.762 -4.405 1.00 0.00 C ATOM 560 C GLY A 38 7.658 -5.171 -3.604 1.00 0.00 C ATOM 561 O GLY A 38 7.782 -5.748 -2.525 1.00 0.00 O ATOM 0 H GLY A 38 8.591 -3.006 -5.497 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.876 -5.256 -5.377 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.790 -5.089 -3.891 1.00 0.00 H new ATOM 565 N VAL A 39 6.471 -4.870 -4.134 1.00 0.00 N ATOM 566 CA VAL A 39 5.228 -5.206 -3.468 1.00 0.00 C ATOM 567 C VAL A 39 4.879 -6.663 -3.735 1.00 0.00 C ATOM 568 O VAL A 39 4.630 -7.044 -4.876 1.00 0.00 O ATOM 569 CB VAL A 39 4.120 -4.283 -3.966 1.00 0.00 C ATOM 570 CG1 VAL A 39 2.835 -4.567 -3.193 1.00 0.00 C ATOM 571 CG2 VAL A 39 4.532 -2.830 -3.750 1.00 0.00 C ATOM 0 H VAL A 39 6.353 -4.392 -5.027 1.00 0.00 H new ATOM 0 HA VAL A 39 5.338 -5.071 -2.392 1.00 0.00 H new ATOM 0 HB VAL A 39 3.952 -4.459 -5.028 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.043 -3.908 -3.549 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.540 -5.605 -3.347 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.003 -4.392 -2.130 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.740 -2.171 -4.106 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.701 -2.654 -2.688 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.450 -2.626 -4.302 1.00 0.00 H new ATOM 581 N ASN A 40 4.860 -7.478 -2.678 1.00 0.00 N ATOM 582 CA ASN A 40 4.540 -8.885 -2.805 1.00 0.00 C ATOM 583 C ASN A 40 3.100 -9.131 -2.379 1.00 0.00 C ATOM 584 O ASN A 40 2.392 -9.922 -2.999 1.00 0.00 O ATOM 585 CB ASN A 40 5.504 -9.703 -1.950 1.00 0.00 C ATOM 586 CG ASN A 40 6.823 -9.921 -2.677 1.00 0.00 C ATOM 587 OD1 ASN A 40 7.338 -11.037 -2.710 1.00 0.00 O ATOM 588 ND2 ASN A 40 7.369 -8.852 -3.261 1.00 0.00 N ATOM 0 H ASN A 40 5.065 -7.178 -1.725 1.00 0.00 H new ATOM 0 HA ASN A 40 4.645 -9.192 -3.846 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.685 -9.189 -1.006 1.00 0.00 H new ATOM 0 HB3 ASN A 40 5.054 -10.666 -1.708 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.253 -8.941 -3.763 1.00 0.00 H new ATOM 0 HD22 ASN A 40 6.903 -7.947 -3.205 1.00 0.00 H new ATOM 595 N TRP A 41 2.665 -8.450 -1.316 1.00 0.00 N ATOM 596 CA TRP A 41 1.313 -8.598 -0.817 1.00 0.00 C ATOM 597 C TRP A 41 0.961 -7.424 0.085 1.00 0.00 C ATOM 598 O TRP A 41 1.834 -6.854 0.735 1.00 0.00 O ATOM 599 CB TRP A 41 1.193 -9.917 -0.060 1.00 0.00 C ATOM 600 CG TRP A 41 -0.114 -10.127 0.636 1.00 0.00 C ATOM 601 CD1 TRP A 41 -0.649 -9.297 1.558 1.00 0.00 C ATOM 602 CD2 TRP A 41 -1.065 -11.225 0.488 1.00 0.00 C ATOM 603 NE1 TRP A 41 -1.858 -9.802 1.988 1.00 0.00 N ATOM 604 CE2 TRP A 41 -2.163 -10.992 1.359 1.00 0.00 C ATOM 605 CE3 TRP A 41 -1.112 -12.394 -0.292 1.00 0.00 C ATOM 606 CZ2 TRP A 41 -3.248 -11.869 1.452 1.00 0.00 C ATOM 607 CZ3 TRP A 41 -2.195 -13.280 -0.207 1.00 0.00 C ATOM 608 CH2 TRP A 41 -3.262 -13.021 0.661 1.00 0.00 C ATOM 0 H TRP A 41 3.238 -7.791 -0.789 1.00 0.00 H new ATOM 0 HA TRP A 41 0.613 -8.608 -1.653 1.00 0.00 H new ATOM 0 HB2 TRP A 41 1.351 -10.737 -0.761 1.00 0.00 H new ATOM 0 HB3 TRP A 41 1.994 -9.970 0.678 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -0.199 -8.379 1.905 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.453 -9.352 2.684 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -0.299 -12.613 -0.969 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -4.065 -11.659 2.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -2.206 -14.171 -0.817 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -4.093 -13.709 0.719 1.00 0.00 H new ATOM 619 N VAL A 42 -0.324 -7.063 0.123 1.00 0.00 N ATOM 620 CA VAL A 42 -0.785 -5.961 0.943 1.00 0.00 C ATOM 621 C VAL A 42 -2.059 -6.361 1.674 1.00 0.00 C ATOM 622 O VAL A 42 -2.986 -6.891 1.065 1.00 0.00 O ATOM 623 CB VAL A 42 -1.028 -4.739 0.062 1.00 0.00 C ATOM 624 CG1 VAL A 42 -1.837 -3.705 0.838 1.00 0.00 C ATOM 625 CG2 VAL A 42 0.312 -4.134 -0.348 1.00 0.00 C ATOM 0 H VAL A 42 -1.060 -7.526 -0.410 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.026 -5.712 1.685 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.580 -5.037 -0.829 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.011 -2.832 0.209 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.794 -4.137 1.131 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.286 -3.406 1.729 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.140 -3.261 -0.977 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.864 -3.836 0.543 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.890 -4.873 -0.903 1.00 0.00 H new ATOM 635 N GLU A 43 -2.104 -6.106 2.983 1.00 0.00 N ATOM 636 CA GLU A 43 -3.263 -6.440 3.786 1.00 0.00 C ATOM 637 C GLU A 43 -4.238 -5.271 3.802 1.00 0.00 C ATOM 638 O GLU A 43 -3.853 -4.135 3.535 1.00 0.00 O ATOM 639 CB GLU A 43 -2.817 -6.791 5.202 1.00 0.00 C ATOM 640 CG GLU A 43 -2.302 -8.227 5.232 1.00 0.00 C ATOM 641 CD GLU A 43 -1.874 -8.622 6.638 1.00 0.00 C ATOM 642 OE1 GLU A 43 -1.391 -7.721 7.358 1.00 0.00 O ATOM 643 OE2 GLU A 43 -2.037 -9.817 6.967 1.00 0.00 O ATOM 0 H GLU A 43 -1.344 -5.668 3.503 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.770 -7.303 3.354 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.035 -6.106 5.529 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.650 -6.678 5.896 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.081 -8.904 4.881 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.459 -8.329 4.549 1.00 0.00 H new ATOM 650 N SER A 44 -5.505 -5.553 4.116 1.00 0.00 N ATOM 651 CA SER A 44 -6.525 -4.526 4.167 1.00 0.00 C ATOM 652 C SER A 44 -7.668 -4.978 5.065 1.00 0.00 C ATOM 653 O SER A 44 -8.669 -5.504 4.583 1.00 0.00 O ATOM 654 CB SER A 44 -7.028 -4.239 2.755 1.00 0.00 C ATOM 655 OG SER A 44 -5.927 -4.072 1.890 1.00 0.00 O ATOM 0 H SER A 44 -5.841 -6.490 4.338 1.00 0.00 H new ATOM 0 HA SER A 44 -6.104 -3.610 4.582 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.656 -5.059 2.407 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.646 -3.341 2.753 1.00 0.00 H new ATOM 0 HG SER A 44 -5.170 -3.703 2.391 1.00 0.00 H new ATOM 661 N GLY A 45 -7.520 -4.769 6.375 1.00 0.00 N ATOM 662 CA GLY A 45 -8.541 -5.156 7.328 1.00 0.00 C ATOM 663 C GLY A 45 -9.913 -4.718 6.837 1.00 0.00 C ATOM 664 O GLY A 45 -10.062 -4.302 5.690 1.00 0.00 O ATOM 0 H GLY A 45 -6.698 -4.332 6.792 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -8.526 -6.237 7.469 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -8.333 -4.705 8.298 1.00 0.00 H new ATOM 668 N ASN A 46 -10.919 -4.812 7.710 1.00 0.00 N ATOM 669 CA ASN A 46 -12.271 -4.425 7.361 1.00 0.00 C ATOM 670 C ASN A 46 -12.333 -2.925 7.107 1.00 0.00 C ATOM 671 O ASN A 46 -13.089 -2.212 7.764 1.00 0.00 O ATOM 672 CB ASN A 46 -13.219 -4.821 8.488 1.00 0.00 C ATOM 673 CG ASN A 46 -14.626 -4.303 8.224 1.00 0.00 C ATOM 674 OD1 ASN A 46 -15.231 -4.636 7.208 1.00 0.00 O ATOM 675 ND2 ASN A 46 -15.145 -3.485 9.143 1.00 0.00 N ATOM 0 H ASN A 46 -10.813 -5.155 8.665 1.00 0.00 H new ATOM 0 HA ASN A 46 -12.575 -4.939 6.449 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -13.240 -5.906 8.586 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -12.852 -4.422 9.434 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -16.084 -3.107 9.017 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -14.602 -3.238 9.971 1.00 0.00 H new ATOM 682 N ASN A 47 -11.533 -2.446 6.151 1.00 0.00 N ATOM 683 CA ASN A 47 -11.503 -1.037 5.817 1.00 0.00 C ATOM 684 C ASN A 47 -11.107 -0.858 4.358 1.00 0.00 C ATOM 685 O ASN A 47 -10.231 -1.561 3.859 1.00 0.00 O ATOM 686 CB ASN A 47 -10.518 -0.319 6.736 1.00 0.00 C ATOM 687 CG ASN A 47 -9.296 -1.185 7.005 1.00 0.00 C ATOM 688 OD1 ASN A 47 -9.197 -1.812 8.057 1.00 0.00 O ATOM 689 ND2 ASN A 47 -8.365 -1.220 6.050 1.00 0.00 N ATOM 0 H ASN A 47 -10.899 -3.023 5.598 1.00 0.00 H new ATOM 0 HA ASN A 47 -12.494 -0.606 5.958 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -10.209 0.622 6.280 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -11.008 -0.071 7.678 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -7.525 -1.785 6.177 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -8.493 -0.681 5.193 1.00 0.00 H new ATOM 696 N VAL A 48 -11.756 0.088 3.675 1.00 0.00 N ATOM 697 CA VAL A 48 -11.470 0.355 2.279 1.00 0.00 C ATOM 698 C VAL A 48 -10.386 1.419 2.171 1.00 0.00 C ATOM 699 O VAL A 48 -10.557 2.533 2.661 1.00 0.00 O ATOM 700 CB VAL A 48 -12.746 0.809 1.577 1.00 0.00 C ATOM 701 CG1 VAL A 48 -12.533 0.784 0.067 1.00 0.00 C ATOM 702 CG2 VAL A 48 -13.890 -0.131 1.945 1.00 0.00 C ATOM 0 H VAL A 48 -12.484 0.679 4.075 1.00 0.00 H new ATOM 0 HA VAL A 48 -11.110 -0.553 1.796 1.00 0.00 H new ATOM 0 HB VAL A 48 -12.993 1.823 1.892 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -13.445 1.108 -0.434 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -11.716 1.455 -0.196 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -12.286 -0.230 -0.249 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -14.802 0.193 1.444 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -13.643 -1.145 1.630 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -14.043 -0.113 3.024 1.00 0.00 H new ATOM 712 N VAL A 49 -9.270 1.072 1.526 1.00 0.00 N ATOM 713 CA VAL A 49 -8.167 1.996 1.356 1.00 0.00 C ATOM 714 C VAL A 49 -7.647 1.920 -0.072 1.00 0.00 C ATOM 715 O VAL A 49 -7.597 0.842 -0.660 1.00 0.00 O ATOM 716 CB VAL A 49 -7.062 1.656 2.352 1.00 0.00 C ATOM 717 CG1 VAL A 49 -5.830 2.506 2.056 1.00 0.00 C ATOM 718 CG2 VAL A 49 -7.549 1.944 3.770 1.00 0.00 C ATOM 0 H VAL A 49 -9.114 0.152 1.114 1.00 0.00 H new ATOM 0 HA VAL A 49 -8.508 3.014 1.544 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.805 0.600 2.263 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.041 2.263 2.768 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.481 2.301 1.044 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.086 3.562 2.145 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.760 1.701 4.482 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.806 2.999 3.859 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.429 1.337 3.983 1.00 0.00 H new ATOM 728 N THR A 50 -7.259 3.069 -0.631 1.00 0.00 N ATOM 729 CA THR A 50 -6.746 3.122 -1.985 1.00 0.00 C ATOM 730 C THR A 50 -5.225 3.144 -1.963 1.00 0.00 C ATOM 731 O THR A 50 -4.623 3.880 -1.183 1.00 0.00 O ATOM 732 CB THR A 50 -7.295 4.361 -2.688 1.00 0.00 C ATOM 733 OG1 THR A 50 -8.578 4.081 -3.200 1.00 0.00 O ATOM 734 CG2 THR A 50 -6.364 4.750 -3.833 1.00 0.00 C ATOM 0 H THR A 50 -7.294 3.972 -0.158 1.00 0.00 H new ATOM 0 HA THR A 50 -7.067 2.236 -2.533 1.00 0.00 H new ATOM 0 HB THR A 50 -7.360 5.184 -1.976 1.00 0.00 H new ATOM 0 HG1 THR A 50 -9.197 4.795 -2.940 1.00 0.00 H new ATOM 0 HG21 THR A 50 -6.755 5.635 -4.336 1.00 0.00 H new ATOM 0 HG22 THR A 50 -5.372 4.966 -3.438 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.299 3.927 -4.545 1.00 0.00 H new ATOM 742 N LEU A 51 -4.602 2.334 -2.822 1.00 0.00 N ATOM 743 CA LEU A 51 -3.157 2.264 -2.898 1.00 0.00 C ATOM 744 C LEU A 51 -2.678 2.881 -4.204 1.00 0.00 C ATOM 745 O LEU A 51 -3.126 2.489 -5.280 1.00 0.00 O ATOM 746 CB LEU A 51 -2.713 0.808 -2.793 1.00 0.00 C ATOM 747 CG LEU A 51 -2.735 0.374 -1.331 1.00 0.00 C ATOM 748 CD1 LEU A 51 -1.907 -0.898 -1.165 1.00 0.00 C ATOM 749 CD2 LEU A 51 -2.145 1.482 -0.462 1.00 0.00 C ATOM 0 H LEU A 51 -5.087 1.718 -3.474 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.718 2.825 -2.073 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.373 0.172 -3.382 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.710 0.692 -3.203 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.763 0.181 -1.025 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.922 -1.208 -0.120 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.328 -1.690 -1.785 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.879 -0.705 -1.471 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.161 1.172 0.583 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.117 1.676 -0.768 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.736 2.390 -0.580 1.00 0.00 H new ATOM 761 N GLN A 52 -1.764 3.849 -4.109 1.00 0.00 N ATOM 762 CA GLN A 52 -1.230 4.514 -5.281 1.00 0.00 C ATOM 763 C GLN A 52 0.231 4.134 -5.470 1.00 0.00 C ATOM 764 O GLN A 52 1.091 4.563 -4.704 1.00 0.00 O ATOM 765 CB GLN A 52 -1.379 6.025 -5.118 1.00 0.00 C ATOM 766 CG GLN A 52 -2.802 6.438 -5.482 1.00 0.00 C ATOM 767 CD GLN A 52 -2.797 7.657 -6.393 1.00 0.00 C ATOM 768 OE1 GLN A 52 -2.008 7.597 -7.469 1.00 0.00 O flip ATOM 769 NE2 GLN A 52 -3.493 8.635 -6.130 1.00 0.00 N flip ATOM 0 H GLN A 52 -1.382 4.185 -3.225 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.783 4.200 -6.166 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.156 6.314 -4.091 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.664 6.543 -5.757 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.310 5.611 -5.978 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.364 6.659 -4.575 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.080 8.634 -5.296 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.484 9.448 -6.746 1.00 0.00 H new ATOM 778 N PHE A 53 0.512 3.327 -6.496 1.00 0.00 N ATOM 779 CA PHE A 53 1.866 2.896 -6.779 1.00 0.00 C ATOM 780 C PHE A 53 2.132 2.978 -8.276 1.00 0.00 C ATOM 781 O PHE A 53 1.203 2.917 -9.078 1.00 0.00 O ATOM 782 CB PHE A 53 2.061 1.470 -6.272 1.00 0.00 C ATOM 783 CG PHE A 53 1.198 0.454 -6.982 1.00 0.00 C ATOM 784 CD1 PHE A 53 -0.133 0.269 -6.587 1.00 0.00 C ATOM 785 CD2 PHE A 53 1.728 -0.304 -8.033 1.00 0.00 C ATOM 786 CE1 PHE A 53 -0.933 -0.674 -7.243 1.00 0.00 C ATOM 787 CE2 PHE A 53 0.928 -1.247 -8.689 1.00 0.00 C ATOM 788 CZ PHE A 53 -0.402 -1.432 -8.294 1.00 0.00 C ATOM 0 H PHE A 53 -0.189 2.963 -7.141 1.00 0.00 H new ATOM 0 HA PHE A 53 2.574 3.549 -6.269 1.00 0.00 H new ATOM 0 HB2 PHE A 53 3.108 1.191 -6.390 1.00 0.00 H new ATOM 0 HB3 PHE A 53 1.841 1.439 -5.205 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.542 0.854 -5.776 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.754 -0.161 -8.338 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.959 -0.817 -6.939 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.337 -1.832 -9.500 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.019 -2.160 -8.800 1.00 0.00 H new ATOM 798 N GLN A 54 3.406 3.117 -8.651 1.00 0.00 N ATOM 799 CA GLN A 54 3.786 3.207 -10.046 1.00 0.00 C ATOM 800 C GLN A 54 4.370 1.880 -10.510 1.00 0.00 C ATOM 801 O GLN A 54 5.438 1.476 -10.054 1.00 0.00 O ATOM 802 CB GLN A 54 4.799 4.335 -10.223 1.00 0.00 C ATOM 803 CG GLN A 54 4.534 5.055 -11.543 1.00 0.00 C ATOM 804 CD GLN A 54 5.352 6.335 -11.636 1.00 0.00 C ATOM 805 OE1 GLN A 54 4.944 7.374 -11.122 1.00 0.00 O ATOM 806 NE2 GLN A 54 6.510 6.257 -12.296 1.00 0.00 N ATOM 0 H GLN A 54 4.188 3.169 -7.998 1.00 0.00 H new ATOM 0 HA GLN A 54 2.907 3.425 -10.653 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.726 5.037 -9.393 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.812 3.933 -10.213 1.00 0.00 H new ATOM 0 HG2 GLN A 54 4.783 4.398 -12.377 1.00 0.00 H new ATOM 0 HG3 GLN A 54 3.473 5.290 -11.627 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.805 5.371 -12.705 1.00 0.00 H new ATOM 0 HE22 GLN A 54 7.100 7.084 -12.391 1.00 0.00 H new ATOM 815 N ARG A 55 3.666 1.202 -11.419 1.00 0.00 N ATOM 816 CA ARG A 55 4.116 -0.074 -11.938 1.00 0.00 C ATOM 817 C ARG A 55 5.546 0.050 -12.442 1.00 0.00 C ATOM 818 O ARG A 55 6.453 -0.583 -11.905 1.00 0.00 O ATOM 819 CB ARG A 55 3.184 -0.522 -13.061 1.00 0.00 C ATOM 820 CG ARG A 55 2.494 -1.823 -12.661 1.00 0.00 C ATOM 821 CD ARG A 55 3.443 -2.995 -12.896 1.00 0.00 C ATOM 822 NE ARG A 55 2.957 -4.206 -12.235 1.00 0.00 N ATOM 823 CZ ARG A 55 3.583 -5.387 -12.330 1.00 0.00 C ATOM 824 NH1 ARG A 55 4.706 -5.493 -13.054 1.00 0.00 N ATOM 825 NH2 ARG A 55 3.087 -6.461 -11.702 1.00 0.00 N ATOM 0 H ARG A 55 2.779 1.524 -11.807 1.00 0.00 H new ATOM 0 HA ARG A 55 4.095 -0.822 -11.145 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.441 0.250 -13.261 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.749 -0.666 -13.982 1.00 0.00 H new ATOM 0 HG2 ARG A 55 2.200 -1.784 -11.612 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.582 -1.957 -13.243 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.544 -3.176 -13.966 1.00 0.00 H new ATOM 0 HD3 ARG A 55 4.435 -2.745 -12.520 1.00 0.00 H new ATOM 0 HE ARG A 55 2.105 -4.149 -11.678 1.00 0.00 H new ATOM 0 HH11 ARG A 55 5.084 -4.675 -13.532 1.00 0.00 H new ATOM 0 HH12 ARG A 55 5.183 -6.392 -13.127 1.00 0.00 H new ATOM 0 HH21 ARG A 55 2.232 -6.380 -11.151 1.00 0.00 H new ATOM 0 HH22 ARG A 55 3.564 -7.360 -11.775 1.00 0.00 H new ATOM 839 N ASN A 56 5.748 0.869 -13.477 1.00 0.00 N ATOM 840 CA ASN A 56 7.066 1.070 -14.045 1.00 0.00 C ATOM 841 C ASN A 56 7.619 2.418 -13.605 1.00 0.00 C ATOM 842 O ASN A 56 6.870 3.380 -13.453 1.00 0.00 O ATOM 843 CB ASN A 56 6.979 0.992 -15.567 1.00 0.00 C ATOM 844 CG ASN A 56 6.881 -0.454 -16.031 1.00 0.00 C ATOM 845 OD1 ASN A 56 5.813 -0.905 -16.441 1.00 0.00 O ATOM 846 ND2 ASN A 56 7.999 -1.181 -15.968 1.00 0.00 N ATOM 0 H ASN A 56 5.008 1.401 -13.934 1.00 0.00 H new ATOM 0 HA ASN A 56 7.741 0.291 -13.691 1.00 0.00 H new ATOM 0 HB2 ASN A 56 6.109 1.550 -15.915 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.857 1.462 -16.010 1.00 0.00 H new ATOM 0 HD21 ASN A 56 7.991 -2.156 -16.268 1.00 0.00 H new ATOM 0 HD22 ASN A 56 8.861 -0.761 -15.620 1.00 0.00 H new ATOM 853 N LEU A 57 8.937 2.486 -13.403 1.00 0.00 N ATOM 854 CA LEU A 57 9.585 3.713 -12.983 1.00 0.00 C ATOM 855 C LEU A 57 9.908 4.569 -14.200 1.00 0.00 C ATOM 856 O LEU A 57 9.440 5.700 -14.308 1.00 0.00 O ATOM 857 CB LEU A 57 10.855 3.377 -12.206 1.00 0.00 C ATOM 858 CG LEU A 57 11.598 4.666 -11.866 1.00 0.00 C ATOM 859 CD1 LEU A 57 10.639 5.644 -11.194 1.00 0.00 C ATOM 860 CD2 LEU A 57 12.752 4.352 -10.918 1.00 0.00 C ATOM 0 H LEU A 57 9.572 1.697 -13.526 1.00 0.00 H new ATOM 0 HA LEU A 57 8.916 4.278 -12.334 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.604 2.838 -11.293 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.494 2.721 -12.798 1.00 0.00 H new ATOM 0 HG LEU A 57 11.990 5.112 -12.780 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.169 6.565 -10.951 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.814 5.868 -11.871 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.247 5.199 -10.279 1.00 0.00 H new ATOM 0 HD21 LEU A 57 13.283 5.272 -10.674 1.00 0.00 H new ATOM 0 HD22 LEU A 57 12.361 3.906 -10.004 1.00 0.00 H new ATOM 0 HD23 LEU A 57 13.437 3.653 -11.398 1.00 0.00 H new ATOM 872 N SER A 58 10.710 4.025 -15.118 1.00 0.00 N ATOM 873 CA SER A 58 11.089 4.740 -16.320 1.00 0.00 C ATOM 874 C SER A 58 9.858 5.367 -16.958 1.00 0.00 C ATOM 875 O SER A 58 9.904 6.508 -17.413 1.00 0.00 O ATOM 876 CB SER A 58 11.769 3.778 -17.290 1.00 0.00 C ATOM 877 OG SER A 58 12.427 4.513 -18.297 1.00 0.00 O ATOM 0 H SER A 58 11.106 3.088 -15.043 1.00 0.00 H new ATOM 0 HA SER A 58 11.789 5.537 -16.068 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.484 3.151 -16.756 1.00 0.00 H new ATOM 0 HB3 SER A 58 11.031 3.111 -17.735 1.00 0.00 H new ATOM 0 HG SER A 58 12.865 3.896 -18.919 1.00 0.00 H new ATOM 883 N ASP A 59 8.753 4.618 -16.989 1.00 0.00 N ATOM 884 CA ASP A 59 7.517 5.104 -17.570 1.00 0.00 C ATOM 885 C ASP A 59 6.546 5.491 -16.464 1.00 0.00 C ATOM 886 O ASP A 59 6.493 4.837 -15.425 1.00 0.00 O ATOM 887 CB ASP A 59 6.916 4.022 -18.463 1.00 0.00 C ATOM 888 CG ASP A 59 5.774 4.580 -19.299 1.00 0.00 C ATOM 889 OD1 ASP A 59 4.672 4.729 -18.728 1.00 0.00 O ATOM 890 OD2 ASP A 59 6.023 4.846 -20.495 1.00 0.00 O ATOM 0 H ASP A 59 8.698 3.671 -16.615 1.00 0.00 H new ATOM 0 HA ASP A 59 7.717 5.987 -18.177 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.687 3.616 -19.118 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.553 3.198 -17.849 1.00 0.00 H new ATOM 895 N PRO A 60 5.776 6.558 -16.689 1.00 0.00 N ATOM 896 CA PRO A 60 4.798 7.071 -15.754 1.00 0.00 C ATOM 897 C PRO A 60 3.601 6.131 -15.701 1.00 0.00 C ATOM 898 O PRO A 60 2.458 6.580 -15.657 1.00 0.00 O ATOM 899 CB PRO A 60 4.398 8.435 -16.314 1.00 0.00 C ATOM 900 CG PRO A 60 4.581 8.249 -17.819 1.00 0.00 C ATOM 901 CD PRO A 60 5.812 7.350 -17.900 1.00 0.00 C ATOM 0 HA PRO A 60 5.184 7.153 -14.738 1.00 0.00 H new ATOM 0 HB2 PRO A 60 3.369 8.691 -16.060 1.00 0.00 H new ATOM 0 HB3 PRO A 60 5.030 9.233 -15.925 1.00 0.00 H new ATOM 0 HG2 PRO A 60 3.709 7.783 -18.278 1.00 0.00 H new ATOM 0 HG3 PRO A 60 4.740 9.200 -18.328 1.00 0.00 H new ATOM 0 HD2 PRO A 60 5.781 6.717 -18.787 1.00 0.00 H new ATOM 0 HD3 PRO A 60 6.728 7.938 -17.960 1.00 0.00 H new ATOM 909 N ARG A 61 3.867 4.823 -15.708 1.00 0.00 N ATOM 910 CA ARG A 61 2.815 3.828 -15.663 1.00 0.00 C ATOM 911 C ARG A 61 2.236 3.753 -14.258 1.00 0.00 C ATOM 912 O ARG A 61 2.593 2.867 -13.484 1.00 0.00 O ATOM 913 CB ARG A 61 3.377 2.475 -16.090 1.00 0.00 C ATOM 914 CG ARG A 61 2.589 1.952 -17.287 1.00 0.00 C ATOM 915 CD ARG A 61 2.203 0.495 -17.046 1.00 0.00 C ATOM 916 NE ARG A 61 2.419 -0.312 -18.247 1.00 0.00 N ATOM 917 CZ ARG A 61 2.187 -1.631 -18.287 1.00 0.00 C ATOM 918 NH1 ARG A 61 1.736 -2.265 -17.196 1.00 0.00 N ATOM 919 NH2 ARG A 61 2.405 -2.316 -19.418 1.00 0.00 N ATOM 0 H ARG A 61 4.810 4.436 -15.745 1.00 0.00 H new ATOM 0 HA ARG A 61 2.015 4.107 -16.349 1.00 0.00 H new ATOM 0 HB2 ARG A 61 4.431 2.573 -16.350 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.316 1.767 -15.264 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.694 2.556 -17.439 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.187 2.035 -18.194 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.791 0.091 -16.222 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.156 0.437 -16.749 1.00 0.00 H new ATOM 0 HE ARG A 61 2.761 0.149 -19.090 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.569 -1.743 -16.335 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.559 -3.269 -17.226 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.748 -1.833 -20.249 1.00 0.00 H new ATOM 0 HH22 ARG A 61 2.228 -3.320 -19.448 1.00 0.00 H new ATOM 933 N LEU A 62 1.338 4.685 -13.929 1.00 0.00 N ATOM 934 CA LEU A 62 0.715 4.719 -12.621 1.00 0.00 C ATOM 935 C LEU A 62 -0.460 3.752 -12.584 1.00 0.00 C ATOM 936 O LEU A 62 -1.196 3.628 -13.560 1.00 0.00 O ATOM 937 CB LEU A 62 0.254 6.141 -12.315 1.00 0.00 C ATOM 938 CG LEU A 62 0.124 6.320 -10.805 1.00 0.00 C ATOM 939 CD1 LEU A 62 -1.070 5.516 -10.299 1.00 0.00 C ATOM 940 CD2 LEU A 62 1.396 5.826 -10.123 1.00 0.00 C ATOM 0 H LEU A 62 1.031 5.425 -14.560 1.00 0.00 H new ATOM 0 HA LEU A 62 1.436 4.413 -11.863 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.967 6.860 -12.717 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.703 6.337 -12.799 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.025 7.375 -10.575 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.164 5.643 -9.221 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.979 5.869 -10.786 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.922 4.461 -10.528 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.304 5.954 -9.044 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.545 4.771 -10.352 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.249 6.400 -10.485 1.00 0.00 H new ATOM 952 N GLU A 63 -0.635 3.066 -11.451 1.00 0.00 N ATOM 953 CA GLU A 63 -1.719 2.117 -11.295 1.00 0.00 C ATOM 954 C GLU A 63 -2.353 2.275 -9.921 1.00 0.00 C ATOM 955 O GLU A 63 -1.654 2.478 -8.931 1.00 0.00 O ATOM 956 CB GLU A 63 -1.184 0.701 -11.485 1.00 0.00 C ATOM 957 CG GLU A 63 -0.868 0.470 -12.960 1.00 0.00 C ATOM 958 CD GLU A 63 -0.912 -1.014 -13.299 1.00 0.00 C ATOM 959 OE1 GLU A 63 -1.481 -1.766 -12.479 1.00 0.00 O ATOM 960 OE2 GLU A 63 -0.375 -1.367 -14.371 1.00 0.00 O ATOM 0 H GLU A 63 -0.034 3.157 -10.632 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.484 2.307 -12.048 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.287 0.556 -10.883 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.920 -0.026 -11.141 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.585 1.010 -13.579 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.119 0.871 -13.192 1.00 0.00 H new ATOM 967 N THR A 64 -3.684 2.180 -9.861 1.00 0.00 N ATOM 968 CA THR A 64 -4.401 2.311 -8.608 1.00 0.00 C ATOM 969 C THR A 64 -5.087 0.998 -8.264 1.00 0.00 C ATOM 970 O THR A 64 -5.589 0.306 -9.147 1.00 0.00 O ATOM 971 CB THR A 64 -5.421 3.440 -8.723 1.00 0.00 C ATOM 972 OG1 THR A 64 -6.014 3.409 -10.002 1.00 0.00 O ATOM 973 CG2 THR A 64 -4.721 4.781 -8.520 1.00 0.00 C ATOM 0 H THR A 64 -4.280 2.012 -10.672 1.00 0.00 H new ATOM 0 HA THR A 64 -3.700 2.551 -7.808 1.00 0.00 H new ATOM 0 HB THR A 64 -6.191 3.313 -7.962 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.670 4.133 -10.076 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.449 5.588 -8.602 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.262 4.806 -7.532 1.00 0.00 H new ATOM 0 HG23 THR A 64 -3.951 4.908 -9.281 1.00 0.00 H new ATOM 981 N ILE A 65 -5.108 0.655 -6.973 1.00 0.00 N ATOM 982 CA ILE A 65 -5.732 -0.570 -6.515 1.00 0.00 C ATOM 983 C ILE A 65 -6.508 -0.304 -5.233 1.00 0.00 C ATOM 984 O ILE A 65 -5.969 0.265 -4.286 1.00 0.00 O ATOM 985 CB ILE A 65 -4.661 -1.633 -6.290 1.00 0.00 C ATOM 986 CG1 ILE A 65 -5.325 -2.991 -6.088 1.00 0.00 C ATOM 987 CG2 ILE A 65 -3.844 -1.277 -5.051 1.00 0.00 C ATOM 988 CD1 ILE A 65 -4.260 -4.037 -5.770 1.00 0.00 C ATOM 0 H ILE A 65 -4.695 1.218 -6.230 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.430 -0.932 -7.270 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.004 -1.676 -7.159 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.050 -2.936 -5.276 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.874 -3.276 -6.986 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.079 -2.036 -4.889 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.368 -0.307 -5.195 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.501 -1.233 -4.182 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.735 -5.007 -5.626 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.552 -4.099 -6.597 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.731 -3.753 -4.860 1.00 0.00 H new ATOM 1000 N THR A 66 -7.777 -0.718 -5.202 1.00 0.00 N ATOM 1001 CA THR A 66 -8.614 -0.522 -4.036 1.00 0.00 C ATOM 1002 C THR A 66 -8.755 -1.831 -3.273 1.00 0.00 C ATOM 1003 O THR A 66 -9.183 -2.837 -3.834 1.00 0.00 O ATOM 1004 CB THR A 66 -9.980 -0.001 -4.473 1.00 0.00 C ATOM 1005 OG1 THR A 66 -9.854 1.330 -4.920 1.00 0.00 O ATOM 1006 CG2 THR A 66 -10.946 -0.053 -3.293 1.00 0.00 C ATOM 0 H THR A 66 -8.240 -1.191 -5.978 1.00 0.00 H new ATOM 0 HA THR A 66 -8.154 0.212 -3.374 1.00 0.00 H new ATOM 0 HB THR A 66 -10.363 -0.621 -5.283 1.00 0.00 H new ATOM 0 HG1 THR A 66 -10.731 1.665 -5.202 1.00 0.00 H new ATOM 0 HG21 THR A 66 -11.922 0.319 -3.605 1.00 0.00 H new ATOM 0 HG22 THR A 66 -11.044 -1.082 -2.948 1.00 0.00 H new ATOM 0 HG23 THR A 66 -10.564 0.567 -2.482 1.00 0.00 H new ATOM 1014 N LEU A 67 -8.394 -1.815 -1.987 1.00 0.00 N ATOM 1015 CA LEU A 67 -8.482 -2.997 -1.153 1.00 0.00 C ATOM 1016 C LEU A 67 -9.776 -2.970 -0.353 1.00 0.00 C ATOM 1017 O LEU A 67 -10.058 -1.997 0.343 1.00 0.00 O ATOM 1018 CB LEU A 67 -7.273 -3.054 -0.224 1.00 0.00 C ATOM 1019 CG LEU A 67 -5.992 -3.027 -1.053 1.00 0.00 C ATOM 1020 CD1 LEU A 67 -4.904 -2.282 -0.285 1.00 0.00 C ATOM 1021 CD2 LEU A 67 -5.533 -4.457 -1.326 1.00 0.00 C ATOM 0 H LEU A 67 -8.038 -0.988 -1.507 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.485 -3.889 -1.780 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.291 -2.210 0.465 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.308 -3.960 0.381 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.182 -2.519 -1.998 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.989 -2.263 -0.877 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.231 -1.261 -0.089 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.714 -2.790 0.661 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.618 -4.439 -1.918 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.343 -4.965 -0.380 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.310 -4.990 -1.875 1.00 0.00 H new ATOM 1033 N GLN A 68 -10.565 -4.043 -0.454 1.00 0.00 N ATOM 1034 CA GLN A 68 -11.823 -4.135 0.258 1.00 0.00 C ATOM 1035 C GLN A 68 -11.585 -4.680 1.660 1.00 0.00 C ATOM 1036 O GLN A 68 -10.445 -4.935 2.043 1.00 0.00 O ATOM 1037 CB GLN A 68 -12.779 -5.037 -0.517 1.00 0.00 C ATOM 1038 CG GLN A 68 -13.061 -4.424 -1.886 1.00 0.00 C ATOM 1039 CD GLN A 68 -13.435 -2.955 -1.756 1.00 0.00 C ATOM 1040 OE1 GLN A 68 -12.671 -2.080 -2.156 1.00 0.00 O ATOM 1041 NE2 GLN A 68 -14.616 -2.686 -1.194 1.00 0.00 N ATOM 0 H GLN A 68 -10.345 -4.858 -1.027 1.00 0.00 H new ATOM 0 HA GLN A 68 -12.269 -3.144 0.346 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -12.345 -6.030 -0.634 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -13.710 -5.160 0.037 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.182 -4.525 -2.522 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -13.871 -4.968 -2.373 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -15.216 -3.448 -0.877 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -14.919 -1.718 -1.081 1.00 0.00 H new ATOM 1050 N LYS A 69 -12.664 -4.859 2.424 1.00 0.00 N ATOM 1051 CA LYS A 69 -12.566 -5.372 3.776 1.00 0.00 C ATOM 1052 C LYS A 69 -11.727 -6.642 3.788 1.00 0.00 C ATOM 1053 O LYS A 69 -11.892 -7.506 2.930 1.00 0.00 O ATOM 1054 CB LYS A 69 -13.966 -5.644 4.319 1.00 0.00 C ATOM 1055 CG LYS A 69 -14.887 -4.483 3.954 1.00 0.00 C ATOM 1056 CD LYS A 69 -15.869 -4.932 2.875 1.00 0.00 C ATOM 1057 CE LYS A 69 -16.679 -3.732 2.393 1.00 0.00 C ATOM 1058 NZ LYS A 69 -17.847 -4.164 1.611 1.00 0.00 N ATOM 0 H LYS A 69 -13.616 -4.653 2.121 1.00 0.00 H new ATOM 0 HA LYS A 69 -12.080 -4.634 4.414 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -14.354 -6.574 3.905 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -13.930 -5.768 5.401 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -15.430 -4.144 4.836 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -14.299 -3.637 3.597 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -15.329 -5.379 2.040 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -16.535 -5.699 3.271 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -17.008 -3.143 3.249 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -16.049 -3.084 1.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -18.381 -3.329 1.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -17.529 -4.706 0.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -18.458 -4.763 2.202 1.00 0.00 H new ATOM 1072 N TRP A 70 -10.824 -6.754 4.765 1.00 0.00 N ATOM 1073 CA TRP A 70 -9.968 -7.918 4.880 1.00 0.00 C ATOM 1074 C TRP A 70 -9.394 -8.276 3.517 1.00 0.00 C ATOM 1075 O TRP A 70 -9.193 -9.450 3.215 1.00 0.00 O ATOM 1076 CB TRP A 70 -10.771 -9.082 5.453 1.00 0.00 C ATOM 1077 CG TRP A 70 -11.586 -8.752 6.661 1.00 0.00 C ATOM 1078 CD1 TRP A 70 -12.936 -8.719 6.707 1.00 0.00 C ATOM 1079 CD2 TRP A 70 -11.133 -8.404 8.005 1.00 0.00 C ATOM 1080 NE1 TRP A 70 -13.346 -8.377 7.978 1.00 0.00 N ATOM 1081 CE2 TRP A 70 -12.273 -8.170 8.821 1.00 0.00 C ATOM 1082 CE3 TRP A 70 -9.875 -8.261 8.618 1.00 0.00 C ATOM 1083 CZ2 TRP A 70 -12.173 -7.815 10.169 1.00 0.00 C ATOM 1084 CZ3 TRP A 70 -9.764 -7.905 9.970 1.00 0.00 C ATOM 1085 CH2 TRP A 70 -10.907 -7.682 10.747 1.00 0.00 C ATOM 0 H TRP A 70 -10.673 -6.047 5.485 1.00 0.00 H new ATOM 0 HA TRP A 70 -9.138 -7.699 5.552 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -11.436 -9.462 4.677 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -10.083 -9.889 5.706 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -13.593 -8.928 5.876 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -14.322 -8.288 8.261 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -8.980 -8.428 8.038 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -13.063 -7.645 10.757 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -8.786 -7.802 10.417 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -10.811 -7.409 11.787 1.00 0.00 H new ATOM 1096 N GLY A 71 -9.129 -7.260 2.693 1.00 0.00 N ATOM 1097 CA GLY A 71 -8.581 -7.478 1.369 1.00 0.00 C ATOM 1098 C GLY A 71 -7.062 -7.564 1.435 1.00 0.00 C ATOM 1099 O GLY A 71 -6.444 -7.001 2.336 1.00 0.00 O ATOM 0 H GLY A 71 -9.288 -6.280 2.927 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.986 -8.398 0.947 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.878 -6.665 0.706 1.00 0.00 H new ATOM 1103 N SER A 72 -6.461 -8.272 0.476 1.00 0.00 N ATOM 1104 CA SER A 72 -5.021 -8.427 0.430 1.00 0.00 C ATOM 1105 C SER A 72 -4.532 -8.287 -1.004 1.00 0.00 C ATOM 1106 O SER A 72 -5.306 -8.449 -1.945 1.00 0.00 O ATOM 1107 CB SER A 72 -4.639 -9.790 1.002 1.00 0.00 C ATOM 1108 OG SER A 72 -5.752 -10.352 1.660 1.00 0.00 O ATOM 0 H SER A 72 -6.959 -8.745 -0.278 1.00 0.00 H new ATOM 0 HA SER A 72 -4.548 -7.650 1.030 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.304 -10.451 0.203 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.807 -9.684 1.698 1.00 0.00 H new ATOM 0 HG SER A 72 -5.889 -11.270 1.346 1.00 0.00 H new ATOM 1114 N TRP A 73 -3.242 -7.986 -1.171 1.00 0.00 N ATOM 1115 CA TRP A 73 -2.661 -7.830 -2.489 1.00 0.00 C ATOM 1116 C TRP A 73 -1.416 -8.697 -2.613 1.00 0.00 C ATOM 1117 O TRP A 73 -0.554 -8.679 -1.738 1.00 0.00 O ATOM 1118 CB TRP A 73 -2.322 -6.361 -2.724 1.00 0.00 C ATOM 1119 CG TRP A 73 -1.945 -6.019 -4.129 1.00 0.00 C ATOM 1120 CD1 TRP A 73 -2.378 -6.665 -5.233 1.00 0.00 C ATOM 1121 CD2 TRP A 73 -1.063 -4.958 -4.609 1.00 0.00 C ATOM 1122 NE1 TRP A 73 -1.829 -6.082 -6.356 1.00 0.00 N ATOM 1123 CE2 TRP A 73 -1.008 -5.023 -6.028 1.00 0.00 C ATOM 1124 CE3 TRP A 73 -0.304 -3.949 -3.991 1.00 0.00 C ATOM 1125 CZ2 TRP A 73 -0.243 -4.136 -6.791 1.00 0.00 C ATOM 1126 CZ3 TRP A 73 0.467 -3.054 -4.747 1.00 0.00 C ATOM 1127 CH2 TRP A 73 0.499 -3.145 -6.144 1.00 0.00 C ATOM 0 H TRP A 73 -2.586 -7.847 -0.402 1.00 0.00 H new ATOM 0 HA TRP A 73 -3.378 -8.150 -3.245 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -3.181 -5.755 -2.436 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -1.500 -6.083 -2.065 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -3.051 -7.509 -5.236 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -2.008 -6.395 -7.310 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -0.315 -3.861 -2.915 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -0.226 -4.216 -7.868 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 1.041 -2.288 -4.247 1.00 0.00 H new ATOM 0 HH2 TRP A 73 1.095 -2.452 -6.719 1.00 0.00 H new ATOM 1138 N ASN A 74 -1.324 -9.459 -3.705 1.00 0.00 N ATOM 1139 CA ASN A 74 -0.187 -10.327 -3.937 1.00 0.00 C ATOM 1140 C ASN A 74 0.249 -10.234 -5.392 1.00 0.00 C ATOM 1141 O ASN A 74 0.036 -11.164 -6.167 1.00 0.00 O ATOM 1142 CB ASN A 74 -0.562 -11.761 -3.575 1.00 0.00 C ATOM 1143 CG ASN A 74 0.540 -12.729 -3.982 1.00 0.00 C ATOM 1144 OD1 ASN A 74 0.335 -13.576 -4.849 1.00 0.00 O ATOM 1145 ND2 ASN A 74 1.711 -12.602 -3.355 1.00 0.00 N ATOM 0 H ASN A 74 -2.031 -9.486 -4.440 1.00 0.00 H new ATOM 0 HA ASN A 74 0.648 -10.013 -3.310 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.739 -11.835 -2.502 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -1.493 -12.034 -4.071 1.00 0.00 H new ATOM 0 HD21 ASN A 74 2.485 -13.224 -3.589 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.832 -11.883 -2.642 1.00 0.00 H new ATOM 1152 N PRO A 75 0.861 -9.107 -5.762 1.00 0.00 N ATOM 1153 CA PRO A 75 1.346 -8.843 -7.100 1.00 0.00 C ATOM 1154 C PRO A 75 2.582 -9.687 -7.371 1.00 0.00 C ATOM 1155 O PRO A 75 2.484 -10.767 -7.950 1.00 0.00 O ATOM 1156 CB PRO A 75 1.687 -7.354 -7.106 1.00 0.00 C ATOM 1157 CG PRO A 75 2.084 -7.092 -5.654 1.00 0.00 C ATOM 1158 CD PRO A 75 1.127 -7.994 -4.877 1.00 0.00 C ATOM 0 HA PRO A 75 0.617 -9.090 -7.872 1.00 0.00 H new ATOM 0 HB2 PRO A 75 2.501 -7.128 -7.795 1.00 0.00 H new ATOM 0 HB3 PRO A 75 0.835 -6.745 -7.409 1.00 0.00 H new ATOM 0 HG2 PRO A 75 3.126 -7.350 -5.466 1.00 0.00 H new ATOM 0 HG3 PRO A 75 1.962 -6.043 -5.384 1.00 0.00 H new ATOM 0 HD2 PRO A 75 1.574 -8.331 -3.942 1.00 0.00 H new ATOM 0 HD3 PRO A 75 0.209 -7.466 -4.619 1.00 0.00 H new ATOM 1166 N GLY A 76 3.750 -9.193 -6.953 1.00 0.00 N ATOM 1167 CA GLY A 76 4.995 -9.906 -7.157 1.00 0.00 C ATOM 1168 C GLY A 76 6.163 -8.930 -7.182 1.00 0.00 C ATOM 1169 O GLY A 76 6.832 -8.784 -8.202 1.00 0.00 O ATOM 0 H GLY A 76 3.850 -8.300 -6.471 1.00 0.00 H new ATOM 0 HA2 GLY A 76 5.139 -10.636 -6.360 1.00 0.00 H new ATOM 0 HA3 GLY A 76 4.955 -10.461 -8.094 1.00 0.00 H new ATOM 1173 N HIS A 77 6.408 -8.261 -6.052 1.00 0.00 N ATOM 1174 CA HIS A 77 7.491 -7.304 -5.949 1.00 0.00 C ATOM 1175 C HIS A 77 7.217 -6.115 -6.859 1.00 0.00 C ATOM 1176 O HIS A 77 7.536 -6.153 -8.046 1.00 0.00 O ATOM 1177 CB HIS A 77 8.805 -7.981 -6.326 1.00 0.00 C ATOM 1178 CG HIS A 77 9.986 -7.055 -6.225 1.00 0.00 C ATOM 1179 ND1 HIS A 77 10.059 -5.778 -6.748 1.00 0.00 N ATOM 1180 CD2 HIS A 77 11.170 -7.331 -5.602 1.00 0.00 C ATOM 1181 CE1 HIS A 77 11.274 -5.285 -6.445 1.00 0.00 C ATOM 1182 NE2 HIS A 77 11.964 -6.211 -5.750 1.00 0.00 N ATOM 0 H HIS A 77 5.863 -8.372 -5.197 1.00 0.00 H new ATOM 0 HA HIS A 77 7.565 -6.942 -4.923 1.00 0.00 H new ATOM 0 HB2 HIS A 77 8.966 -8.840 -5.675 1.00 0.00 H new ATOM 0 HB3 HIS A 77 8.733 -8.362 -7.345 1.00 0.00 H new ATOM 0 HD2 HIS A 77 11.434 -8.246 -5.093 1.00 0.00 H new ATOM 0 HE1 HIS A 77 11.638 -4.305 -6.715 1.00 0.00 H new ATOM 0 HE2 HIS A 77 12.913 -6.103 -5.393 1.00 0.00 H new ATOM 1191 N ILE A 78 6.625 -5.056 -6.301 1.00 0.00 N ATOM 1192 CA ILE A 78 6.313 -3.863 -7.061 1.00 0.00 C ATOM 1193 C ILE A 78 7.481 -2.890 -6.994 1.00 0.00 C ATOM 1194 O ILE A 78 8.155 -2.795 -5.970 1.00 0.00 O ATOM 1195 CB ILE A 78 5.043 -3.224 -6.506 1.00 0.00 C ATOM 1196 CG1 ILE A 78 3.895 -4.227 -6.578 1.00 0.00 C ATOM 1197 CG2 ILE A 78 4.692 -1.989 -7.332 1.00 0.00 C ATOM 1198 CD1 ILE A 78 3.089 -3.987 -7.852 1.00 0.00 C ATOM 0 H ILE A 78 6.354 -5.010 -5.319 1.00 0.00 H new ATOM 0 HA ILE A 78 6.144 -4.126 -8.105 1.00 0.00 H new ATOM 0 HB ILE A 78 5.207 -2.933 -5.468 1.00 0.00 H new ATOM 0 HG12 ILE A 78 4.286 -5.245 -6.568 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.252 -4.124 -5.704 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.785 -1.532 -6.936 1.00 0.00 H new ATOM 0 HG22 ILE A 78 5.511 -1.272 -7.281 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.529 -2.280 -8.370 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.269 -4.703 -7.904 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.686 -2.974 -7.842 1.00 0.00 H new ATOM 0 HD13 ILE A 78 3.736 -4.112 -8.721 1.00 0.00 H new ATOM 1210 N HIS A 79 7.721 -2.164 -8.089 1.00 0.00 N ATOM 1211 CA HIS A 79 8.805 -1.204 -8.149 1.00 0.00 C ATOM 1212 C HIS A 79 8.890 -0.439 -6.836 1.00 0.00 C ATOM 1213 O HIS A 79 9.752 -0.721 -6.007 1.00 0.00 O ATOM 1214 CB HIS A 79 8.573 -0.249 -9.317 1.00 0.00 C ATOM 1215 CG HIS A 79 9.324 1.045 -9.167 1.00 0.00 C ATOM 1216 ND1 HIS A 79 10.649 1.173 -8.795 1.00 0.00 N ATOM 1217 CD2 HIS A 79 8.814 2.296 -9.374 1.00 0.00 C ATOM 1218 CE1 HIS A 79 10.939 2.487 -8.777 1.00 0.00 C ATOM 1219 NE2 HIS A 79 9.841 3.186 -9.125 1.00 0.00 N ATOM 0 H HIS A 79 7.171 -2.230 -8.946 1.00 0.00 H new ATOM 0 HA HIS A 79 9.750 -1.725 -8.304 1.00 0.00 H new ATOM 0 HB2 HIS A 79 8.877 -0.735 -10.244 1.00 0.00 H new ATOM 0 HB3 HIS A 79 7.507 -0.038 -9.402 1.00 0.00 H new ATOM 0 HD1 HIS A 79 11.290 0.411 -8.574 1.00 0.00 H new ATOM 0 HD2 HIS A 79 7.806 2.541 -9.674 1.00 0.00 H new ATOM 0 HE1 HIS A 79 11.899 2.913 -8.524 1.00 0.00 H new ATOM 1228 N GLU A 80 7.992 0.531 -6.647 1.00 0.00 N ATOM 1229 CA GLU A 80 7.973 1.326 -5.436 1.00 0.00 C ATOM 1230 C GLU A 80 6.613 1.989 -5.272 1.00 0.00 C ATOM 1231 O GLU A 80 5.953 2.311 -6.258 1.00 0.00 O ATOM 1232 CB GLU A 80 9.081 2.373 -5.499 1.00 0.00 C ATOM 1233 CG GLU A 80 9.224 3.045 -4.137 1.00 0.00 C ATOM 1234 CD GLU A 80 9.467 4.539 -4.291 1.00 0.00 C ATOM 1235 OE1 GLU A 80 10.256 4.896 -5.192 1.00 0.00 O ATOM 1236 OE2 GLU A 80 8.859 5.297 -3.504 1.00 0.00 O ATOM 0 H GLU A 80 7.271 0.778 -7.324 1.00 0.00 H new ATOM 0 HA GLU A 80 8.146 0.683 -4.573 1.00 0.00 H new ATOM 0 HB2 GLU A 80 10.023 1.905 -5.786 1.00 0.00 H new ATOM 0 HB3 GLU A 80 8.850 3.117 -6.261 1.00 0.00 H new ATOM 0 HG2 GLU A 80 8.322 2.878 -3.548 1.00 0.00 H new ATOM 0 HG3 GLU A 80 10.051 2.593 -3.589 1.00 0.00 H new ATOM 1243 N ILE A 81 6.195 2.195 -4.021 1.00 0.00 N ATOM 1244 CA ILE A 81 4.920 2.819 -3.731 1.00 0.00 C ATOM 1245 C ILE A 81 5.051 4.332 -3.839 1.00 0.00 C ATOM 1246 O ILE A 81 6.045 4.904 -3.395 1.00 0.00 O ATOM 1247 CB ILE A 81 4.461 2.414 -2.333 1.00 0.00 C ATOM 1248 CG1 ILE A 81 4.240 0.904 -2.288 1.00 0.00 C ATOM 1249 CG2 ILE A 81 3.155 3.129 -1.999 1.00 0.00 C ATOM 1250 CD1 ILE A 81 3.001 0.547 -3.103 1.00 0.00 C ATOM 0 H ILE A 81 6.731 1.934 -3.194 1.00 0.00 H new ATOM 0 HA ILE A 81 4.175 2.486 -4.453 1.00 0.00 H new ATOM 0 HB ILE A 81 5.224 2.692 -1.605 1.00 0.00 H new ATOM 0 HG12 ILE A 81 5.112 0.386 -2.687 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.117 0.574 -1.256 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.827 2.840 -1.001 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.312 4.207 -2.031 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.392 2.851 -2.726 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.843 -0.531 -3.071 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.132 1.054 -2.684 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.142 0.863 -4.137 1.00 0.00 H new ATOM 1262 N LEU A 82 4.045 4.981 -4.429 1.00 0.00 N ATOM 1263 CA LEU A 82 4.053 6.421 -4.592 1.00 0.00 C ATOM 1264 C LEU A 82 3.442 7.082 -3.365 1.00 0.00 C ATOM 1265 O LEU A 82 4.135 7.771 -2.619 1.00 0.00 O ATOM 1266 CB LEU A 82 3.276 6.794 -5.851 1.00 0.00 C ATOM 1267 CG LEU A 82 3.781 5.963 -7.026 1.00 0.00 C ATOM 1268 CD1 LEU A 82 3.950 6.860 -8.249 1.00 0.00 C ATOM 1269 CD2 LEU A 82 5.124 5.335 -6.665 1.00 0.00 C ATOM 0 H LEU A 82 3.214 4.521 -4.801 1.00 0.00 H new ATOM 0 HA LEU A 82 5.079 6.774 -4.697 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.211 6.619 -5.699 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.397 7.856 -6.064 1.00 0.00 H new ATOM 0 HG LEU A 82 3.061 5.176 -7.250 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.311 6.266 -9.089 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.990 7.308 -8.507 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.670 7.648 -8.026 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.485 4.741 -7.504 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.845 6.121 -6.440 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.003 4.693 -5.792 1.00 0.00 H new ATOM 1281 N SER A 83 2.141 6.872 -3.157 1.00 0.00 N ATOM 1282 CA SER A 83 1.446 7.447 -2.023 1.00 0.00 C ATOM 1283 C SER A 83 0.372 6.485 -1.533 1.00 0.00 C ATOM 1284 O SER A 83 0.090 5.482 -2.184 1.00 0.00 O ATOM 1285 CB SER A 83 0.830 8.783 -2.428 1.00 0.00 C ATOM 1286 OG SER A 83 0.577 9.552 -1.274 1.00 0.00 O ATOM 0 H SER A 83 1.552 6.304 -3.767 1.00 0.00 H new ATOM 0 HA SER A 83 2.151 7.618 -1.209 1.00 0.00 H new ATOM 0 HB2 SER A 83 1.505 9.320 -3.095 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.096 8.617 -2.978 1.00 0.00 H new ATOM 0 HG SER A 83 0.182 10.411 -1.533 1.00 0.00 H new ATOM 1292 N ILE A 84 -0.227 6.794 -0.380 1.00 0.00 N ATOM 1293 CA ILE A 84 -1.266 5.961 0.191 1.00 0.00 C ATOM 1294 C ILE A 84 -2.467 6.819 0.564 1.00 0.00 C ATOM 1295 O ILE A 84 -2.313 7.868 1.186 1.00 0.00 O ATOM 1296 CB ILE A 84 -0.718 5.234 1.416 1.00 0.00 C ATOM 1297 CG1 ILE A 84 0.108 4.033 0.968 1.00 0.00 C ATOM 1298 CG2 ILE A 84 -1.879 4.758 2.285 1.00 0.00 C ATOM 1299 CD1 ILE A 84 1.080 3.641 2.078 1.00 0.00 C ATOM 0 H ILE A 84 -0.002 7.622 0.172 1.00 0.00 H new ATOM 0 HA ILE A 84 -1.588 5.220 -0.541 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.088 5.913 1.990 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -0.548 3.195 0.732 1.00 0.00 H new ATOM 0 HG13 ILE A 84 0.657 4.275 0.058 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.489 4.239 3.160 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.469 5.616 2.605 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.509 4.079 1.711 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.671 2.783 1.758 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.744 4.478 2.293 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.520 3.382 2.977 1.00 0.00 H new ATOM 1311 N ARG A 85 -3.665 6.372 0.181 1.00 0.00 N ATOM 1312 CA ARG A 85 -4.883 7.099 0.475 1.00 0.00 C ATOM 1313 C ARG A 85 -5.836 6.211 1.261 1.00 0.00 C ATOM 1314 O ARG A 85 -6.110 5.082 0.860 1.00 0.00 O ATOM 1315 CB ARG A 85 -5.526 7.560 -0.830 1.00 0.00 C ATOM 1316 CG ARG A 85 -6.884 8.189 -0.533 1.00 0.00 C ATOM 1317 CD ARG A 85 -7.614 8.467 -1.844 1.00 0.00 C ATOM 1318 NE ARG A 85 -7.131 9.701 -2.463 1.00 0.00 N ATOM 1319 CZ ARG A 85 -7.835 10.376 -3.382 1.00 0.00 C ATOM 1320 NH1 ARG A 85 -9.036 9.925 -3.771 1.00 0.00 N ATOM 1321 NH2 ARG A 85 -7.338 11.501 -3.914 1.00 0.00 N ATOM 0 H ARG A 85 -3.809 5.504 -0.336 1.00 0.00 H new ATOM 0 HA ARG A 85 -4.652 7.975 1.081 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -4.881 8.282 -1.331 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -5.645 6.715 -1.508 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -7.477 7.521 0.091 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -6.753 9.115 0.026 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -7.469 7.632 -2.529 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -8.685 8.545 -1.658 1.00 0.00 H new ATOM 0 HE ARG A 85 -6.219 10.063 -2.183 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -9.414 9.068 -3.367 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -9.572 10.439 -4.470 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -6.424 11.844 -3.619 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -7.874 12.015 -4.613 1.00 0.00 H new ATOM 1335 N ILE A 86 -6.343 6.725 2.385 1.00 0.00 N ATOM 1336 CA ILE A 86 -7.263 5.981 3.221 1.00 0.00 C ATOM 1337 C ILE A 86 -8.635 6.640 3.190 1.00 0.00 C ATOM 1338 O ILE A 86 -8.739 7.863 3.256 1.00 0.00 O ATOM 1339 CB ILE A 86 -6.722 5.923 4.646 1.00 0.00 C ATOM 1340 CG1 ILE A 86 -5.280 5.424 4.623 1.00 0.00 C ATOM 1341 CG2 ILE A 86 -7.576 4.969 5.477 1.00 0.00 C ATOM 1342 CD1 ILE A 86 -4.673 5.558 6.017 1.00 0.00 C ATOM 0 H ILE A 86 -6.125 7.660 2.731 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.362 4.963 2.844 1.00 0.00 H new ATOM 0 HB ILE A 86 -6.756 6.919 5.087 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.249 4.383 4.300 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -4.696 5.999 3.904 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -7.189 4.928 6.495 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -8.606 5.324 5.494 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -7.543 3.973 5.036 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.643 5.202 6.001 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.690 6.604 6.322 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.252 4.964 6.724 1.00 0.00 H new ATOM 1354 N TYR A 87 -9.689 5.827 3.091 1.00 0.00 N ATOM 1355 CA TYR A 87 -11.045 6.337 3.051 1.00 0.00 C ATOM 1356 C TYR A 87 -11.549 6.574 4.467 1.00 0.00 C ATOM 1357 O TYR A 87 -12.656 7.074 4.659 1.00 0.00 O ATOM 1358 CB TYR A 87 -11.939 5.342 2.318 1.00 0.00 C ATOM 1359 CG TYR A 87 -11.718 5.319 0.824 1.00 0.00 C ATOM 1360 CD1 TYR A 87 -10.453 5.013 0.308 1.00 0.00 C ATOM 1361 CD2 TYR A 87 -12.778 5.606 -0.045 1.00 0.00 C ATOM 1362 CE1 TYR A 87 -10.248 4.992 -1.077 1.00 0.00 C ATOM 1363 CE2 TYR A 87 -12.573 5.586 -1.430 1.00 0.00 C ATOM 1364 CZ TYR A 87 -11.308 5.279 -1.945 1.00 0.00 C ATOM 1365 OH TYR A 87 -11.108 5.260 -3.295 1.00 0.00 O ATOM 0 H TYR A 87 -9.620 4.811 3.037 1.00 0.00 H new ATOM 0 HA TYR A 87 -11.065 7.287 2.516 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -11.763 4.344 2.719 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -12.982 5.586 2.519 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -9.635 4.793 0.978 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -13.754 5.843 0.353 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -9.273 4.755 -1.475 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -13.390 5.807 -2.100 1.00 0.00 H new ATOM 0 HH TYR A 87 -11.946 5.480 -3.753 1.00 0.00 H new TER 1375 TYR A 87