USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 780 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: C 13 ASN : amide:sc= -0.0283 K(o=-0.028,f=-1.2!) USER MOD Set 1.2: C 19 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: C 11 SER OG : rot 180:sc= 0 USER MOD Set 2.2: C 21 THR OG1 : rot 180:sc= -0.0109 USER MOD Set 3.1: A 13 ASN : amide:sc= 0.72 K(o=0.72,f=-3.5!) USER MOD Set 3.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 11 SER OG : rot -84:sc= 0.00863 USER MOD Set 4.2: A 21 THR OG1 : rot 180:sc= -0.0179 USER MOD Single : A 1 MET CE :methyl -128:sc=-0.00241 (180deg=-0.196) USER MOD Single : A 1 MET N :NH3+ 141:sc= 0.0187 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.469 X(o=-0.47,f=-0.41) USER MOD Single : A 29 GLN : amide:sc= -0.666 K(o=-0.67,f=-5.1!) USER MOD Single : A 35 ASN : amide:sc= -0.0206 K(o=-0.021,f=-1.4) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HE2:sc= -3.35 K(o=-3.4,f=-5.3!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : C 1 MET CE :methyl -125:sc= -0.0008 (180deg=-0.223) USER MOD Single : C 1 MET N :NH3+ 143:sc= 0.00705 (180deg=0) USER MOD Single : C 5 THR OG1 : rot 180:sc= -0.22 USER MOD Single : C 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 26 SER OG : rot 180:sc= 0 USER MOD Single : C 28 GLN :FLIP amide:sc= -0.441 F(o=-1.1,f=-0.44) USER MOD Single : C 29 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : C 35 ASN : amide:sc= -0.0205 K(o=-0.021,f=-1.5) USER MOD Single : C 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 43 HIS : no HE2:sc= -2.33 K(o=-2.3,f=-4!) USER MOD Single : C 48 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.871 -5.085 -11.471 1.00 0.00 N ATOM 2 CA MET A 1 -5.828 -4.201 -10.291 1.00 0.00 C ATOM 3 C MET A 1 -6.920 -4.586 -9.301 1.00 0.00 C ATOM 4 O MET A 1 -8.040 -4.896 -9.706 1.00 0.00 O ATOM 5 CB MET A 1 -5.992 -2.738 -10.705 1.00 0.00 C ATOM 6 CG MET A 1 -5.690 -1.758 -9.575 1.00 0.00 C ATOM 7 SD MET A 1 -3.930 -1.457 -9.299 1.00 0.00 S ATOM 8 CE MET A 1 -3.657 -0.356 -10.705 1.00 0.00 C ATOM 0 H1 MET A 1 -5.680 -4.529 -12.329 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.151 -5.829 -11.373 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.812 -5.521 -11.544 1.00 0.00 H new ATOM 0 HA MET A 1 -4.856 -4.320 -9.812 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.331 -2.528 -11.546 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.012 -2.578 -11.054 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.179 -0.809 -9.794 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.130 -2.138 -8.653 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.811 -0.716 -11.291 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.549 -0.337 -11.331 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.445 0.650 -10.343 1.00 0.00 H new ATOM 20 N LEU A 2 -6.597 -4.561 -8.009 1.00 0.00 N ATOM 21 CA LEU A 2 -7.551 -4.749 -6.927 1.00 0.00 C ATOM 22 C LEU A 2 -7.427 -3.504 -6.059 1.00 0.00 C ATOM 23 O LEU A 2 -6.321 -3.131 -5.676 1.00 0.00 O ATOM 24 CB LEU A 2 -7.227 -6.066 -6.215 1.00 0.00 C ATOM 25 CG LEU A 2 -8.159 -6.430 -5.054 1.00 0.00 C ATOM 26 CD1 LEU A 2 -7.776 -5.698 -3.770 1.00 0.00 C ATOM 27 CD2 LEU A 2 -9.624 -6.143 -5.376 1.00 0.00 C ATOM 0 H LEU A 2 -5.643 -4.406 -7.682 1.00 0.00 H new ATOM 0 HA LEU A 2 -8.589 -4.844 -7.245 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -7.255 -6.872 -6.948 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -6.206 -6.014 -5.837 1.00 0.00 H new ATOM 0 HG LEU A 2 -8.040 -7.503 -4.903 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -8.460 -5.983 -2.971 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -6.758 -5.966 -3.488 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.836 -4.622 -3.933 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -10.245 -6.417 -4.523 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -9.749 -5.081 -5.589 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -9.926 -6.725 -6.247 1.00 0.00 H new ATOM 39 N ILE A 3 -8.550 -2.855 -5.749 1.00 0.00 N ATOM 40 CA ILE A 3 -8.522 -1.513 -5.190 1.00 0.00 C ATOM 41 C ILE A 3 -9.307 -1.424 -3.894 1.00 0.00 C ATOM 42 O ILE A 3 -10.261 -2.170 -3.678 1.00 0.00 O ATOM 43 CB ILE A 3 -9.091 -0.556 -6.245 1.00 0.00 C ATOM 44 CG1 ILE A 3 -8.245 -0.693 -7.513 1.00 0.00 C ATOM 45 CG2 ILE A 3 -9.089 0.901 -5.768 1.00 0.00 C ATOM 46 CD1 ILE A 3 -8.909 -0.022 -8.702 1.00 0.00 C ATOM 0 H ILE A 3 -9.486 -3.240 -5.877 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.496 -1.241 -4.943 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.130 -0.822 -6.437 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -7.263 -0.250 -7.346 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.085 -1.749 -7.732 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -9.501 1.540 -6.549 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -9.697 0.990 -4.868 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.067 1.210 -5.547 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -8.280 -0.140 -9.584 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -9.880 -0.483 -8.885 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -9.045 1.039 -8.492 1.00 0.00 H new ATOM 58 N LEU A 4 -8.879 -0.493 -3.043 1.00 0.00 N ATOM 59 CA LEU A 4 -9.442 -0.265 -1.728 1.00 0.00 C ATOM 60 C LEU A 4 -9.401 1.229 -1.418 1.00 0.00 C ATOM 61 O LEU A 4 -8.592 1.967 -1.979 1.00 0.00 O ATOM 62 CB LEU A 4 -8.631 -1.052 -0.698 1.00 0.00 C ATOM 63 CG LEU A 4 -8.804 -2.564 -0.855 1.00 0.00 C ATOM 64 CD1 LEU A 4 -7.812 -3.269 0.062 1.00 0.00 C ATOM 65 CD2 LEU A 4 -10.212 -3.009 -0.469 1.00 0.00 C ATOM 0 H LEU A 4 -8.108 0.138 -3.263 1.00 0.00 H new ATOM 0 HA LEU A 4 -10.478 -0.601 -1.694 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.576 -0.797 -0.798 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.937 -0.756 0.305 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.631 -2.820 -1.900 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.925 -4.348 -0.041 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.797 -2.983 -0.212 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -8.004 -2.981 1.096 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.299 -4.088 -0.593 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.404 -2.746 0.571 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.940 -2.511 -1.110 1.00 0.00 H new ATOM 77 N THR A 5 -10.277 1.670 -0.513 1.00 0.00 N ATOM 78 CA THR A 5 -10.325 3.057 -0.073 1.00 0.00 C ATOM 79 C THR A 5 -10.400 3.072 1.444 1.00 0.00 C ATOM 80 O THR A 5 -11.268 2.433 2.035 1.00 0.00 O ATOM 81 CB THR A 5 -11.526 3.781 -0.689 1.00 0.00 C ATOM 82 OG1 THR A 5 -11.470 3.718 -2.097 1.00 0.00 O ATOM 83 CG2 THR A 5 -11.539 5.257 -0.286 1.00 0.00 C ATOM 0 H THR A 5 -10.972 1.071 -0.067 1.00 0.00 H new ATOM 0 HA THR A 5 -9.429 3.583 -0.402 1.00 0.00 H new ATOM 0 HB THR A 5 -12.426 3.287 -0.322 1.00 0.00 H new ATOM 0 HG1 THR A 5 -12.245 4.183 -2.476 1.00 0.00 H new ATOM 0 HG21 THR A 5 -12.401 5.749 -0.736 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.601 5.337 0.799 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.624 5.737 -0.634 1.00 0.00 H new ATOM 91 N ARG A 6 -9.479 3.808 2.066 1.00 0.00 N ATOM 92 CA ARG A 6 -9.317 3.847 3.514 1.00 0.00 C ATOM 93 C ARG A 6 -9.001 5.273 3.943 1.00 0.00 C ATOM 94 O ARG A 6 -9.115 6.187 3.131 1.00 0.00 O ATOM 95 CB ARG A 6 -8.190 2.897 3.928 1.00 0.00 C ATOM 96 CG ARG A 6 -8.494 1.444 3.546 1.00 0.00 C ATOM 97 CD ARG A 6 -8.141 0.509 4.701 1.00 0.00 C ATOM 98 NE ARG A 6 -9.103 0.675 5.799 1.00 0.00 N ATOM 99 CZ ARG A 6 -9.542 -0.310 6.584 1.00 0.00 C ATOM 100 NH1 ARG A 6 -9.074 -1.545 6.456 1.00 0.00 N ATOM 101 NH2 ARG A 6 -10.461 -0.065 7.509 1.00 0.00 N ATOM 0 H ARG A 6 -8.816 4.402 1.568 1.00 0.00 H new ATOM 0 HA ARG A 6 -10.238 3.527 4.002 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -7.260 3.210 3.453 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -8.037 2.964 5.005 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -9.549 1.340 3.294 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -7.926 1.167 2.658 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -8.146 -0.525 4.356 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -7.133 0.722 5.056 1.00 0.00 H new ATOM 0 HE ARG A 6 -9.462 1.614 5.974 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -8.368 -1.752 5.749 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -9.420 -2.287 7.064 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -10.833 0.878 7.621 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -10.795 -0.820 8.108 1.00 0.00 H new ATOM 115 N LYS A 7 -8.603 5.473 5.201 1.00 0.00 N ATOM 116 CA LYS A 7 -8.218 6.795 5.685 1.00 0.00 C ATOM 117 C LYS A 7 -6.914 6.726 6.453 1.00 0.00 C ATOM 118 O LYS A 7 -6.441 5.642 6.780 1.00 0.00 O ATOM 119 CB LYS A 7 -9.326 7.409 6.536 1.00 0.00 C ATOM 120 CG LYS A 7 -9.512 6.715 7.886 1.00 0.00 C ATOM 121 CD LYS A 7 -10.567 7.474 8.690 1.00 0.00 C ATOM 122 CE LYS A 7 -10.875 6.713 9.976 1.00 0.00 C ATOM 123 NZ LYS A 7 -11.924 7.397 10.761 1.00 0.00 N ATOM 0 H LYS A 7 -8.540 4.734 5.901 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.066 7.442 4.821 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.102 8.462 6.705 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -10.264 7.367 5.982 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -9.822 5.680 7.739 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.568 6.690 8.431 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.208 8.476 8.925 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -11.475 7.591 8.098 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -11.199 5.701 9.734 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.969 6.623 10.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -12.114 6.858 11.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -11.603 8.354 11.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -12.795 7.460 10.196 1.00 0.00 H new ATOM 137 N VAL A 8 -6.333 7.891 6.739 1.00 0.00 N ATOM 138 CA VAL A 8 -5.058 7.913 7.433 1.00 0.00 C ATOM 139 C VAL A 8 -5.149 7.196 8.776 1.00 0.00 C ATOM 140 O VAL A 8 -6.019 7.484 9.594 1.00 0.00 O ATOM 141 CB VAL A 8 -4.510 9.333 7.554 1.00 0.00 C ATOM 142 CG1 VAL A 8 -4.398 9.926 6.153 1.00 0.00 C ATOM 143 CG2 VAL A 8 -5.353 10.273 8.408 1.00 0.00 C ATOM 0 H VAL A 8 -6.717 8.807 6.506 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.337 7.359 6.833 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.547 9.246 8.057 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.008 10.942 6.218 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.723 9.316 5.552 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.383 9.945 5.686 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.885 11.257 8.436 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -6.351 10.357 7.979 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.426 9.877 9.421 1.00 0.00 H new ATOM 153 N GLY A 9 -4.232 6.250 8.980 1.00 0.00 N ATOM 154 CA GLY A 9 -4.148 5.454 10.195 1.00 0.00 C ATOM 155 C GLY A 9 -4.676 4.033 10.000 1.00 0.00 C ATOM 156 O GLY A 9 -4.437 3.176 10.849 1.00 0.00 O ATOM 0 H GLY A 9 -3.517 6.015 8.292 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.110 5.411 10.526 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -4.715 5.944 10.987 1.00 0.00 H new ATOM 160 N GLU A 10 -5.390 3.767 8.903 1.00 0.00 N ATOM 161 CA GLU A 10 -5.940 2.441 8.636 1.00 0.00 C ATOM 162 C GLU A 10 -4.913 1.530 7.954 1.00 0.00 C ATOM 163 O GLU A 10 -3.806 1.966 7.638 1.00 0.00 O ATOM 164 CB GLU A 10 -7.199 2.549 7.773 1.00 0.00 C ATOM 165 CG GLU A 10 -8.287 3.401 8.430 1.00 0.00 C ATOM 166 CD GLU A 10 -9.663 3.050 7.873 1.00 0.00 C ATOM 167 OE1 GLU A 10 -9.861 3.250 6.655 1.00 0.00 O ATOM 168 OE2 GLU A 10 -10.506 2.579 8.664 1.00 0.00 O ATOM 0 H GLU A 10 -5.600 4.459 8.183 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.200 1.994 9.596 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.938 2.981 6.807 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.591 1.550 7.580 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.276 3.244 9.509 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.080 4.457 8.260 1.00 0.00 H new ATOM 175 N SER A 11 -5.282 0.261 7.728 1.00 0.00 N ATOM 176 CA SER A 11 -4.369 -0.738 7.183 1.00 0.00 C ATOM 177 C SER A 11 -5.037 -1.646 6.147 1.00 0.00 C ATOM 178 O SER A 11 -6.260 -1.664 6.004 1.00 0.00 O ATOM 179 CB SER A 11 -3.804 -1.590 8.325 1.00 0.00 C ATOM 180 OG SER A 11 -3.085 -0.793 9.242 1.00 0.00 O ATOM 0 H SER A 11 -6.219 -0.095 7.919 1.00 0.00 H new ATOM 0 HA SER A 11 -3.569 -0.202 6.673 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.618 -2.100 8.841 1.00 0.00 H new ATOM 0 HB3 SER A 11 -3.151 -2.362 7.919 1.00 0.00 H new ATOM 0 HG SER A 11 -2.168 -0.671 8.920 1.00 0.00 H new ATOM 186 N ILE A 12 -4.200 -2.402 5.429 1.00 0.00 N ATOM 187 CA ILE A 12 -4.562 -3.307 4.344 1.00 0.00 C ATOM 188 C ILE A 12 -3.638 -4.522 4.430 1.00 0.00 C ATOM 189 O ILE A 12 -2.634 -4.475 5.136 1.00 0.00 O ATOM 190 CB ILE A 12 -4.428 -2.568 3.002 1.00 0.00 C ATOM 191 CG1 ILE A 12 -5.459 -1.431 2.974 1.00 0.00 C ATOM 192 CG2 ILE A 12 -4.623 -3.498 1.796 1.00 0.00 C ATOM 193 CD1 ILE A 12 -5.430 -0.657 1.660 1.00 0.00 C ATOM 0 H ILE A 12 -3.195 -2.395 5.603 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.596 -3.644 4.424 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.415 -2.173 2.923 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -6.456 -1.843 3.128 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.265 -0.747 3.800 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.518 -2.926 0.874 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.872 -4.288 1.820 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.618 -3.942 1.836 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -6.177 0.137 1.689 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.442 -0.220 1.517 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.651 -1.333 0.834 1.00 0.00 H new ATOM 205 N ASN A 13 -3.950 -5.616 3.730 1.00 0.00 N ATOM 206 CA ASN A 13 -3.188 -6.851 3.886 1.00 0.00 C ATOM 207 C ASN A 13 -2.890 -7.540 2.556 1.00 0.00 C ATOM 208 O ASN A 13 -3.617 -7.372 1.578 1.00 0.00 O ATOM 209 CB ASN A 13 -3.963 -7.806 4.796 1.00 0.00 C ATOM 210 CG ASN A 13 -4.355 -7.144 6.108 1.00 0.00 C ATOM 211 OD1 ASN A 13 -5.457 -6.621 6.238 1.00 0.00 O ATOM 212 ND2 ASN A 13 -3.464 -7.162 7.092 1.00 0.00 N ATOM 0 H ASN A 13 -4.716 -5.669 3.058 1.00 0.00 H new ATOM 0 HA ASN A 13 -2.227 -6.587 4.327 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.860 -8.151 4.281 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -3.354 -8.687 5.001 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.687 -6.732 7.990 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.557 -7.606 6.950 1.00 0.00 H new ATOM 219 N ILE A 14 -1.805 -8.325 2.543 1.00 0.00 N ATOM 220 CA ILE A 14 -1.344 -9.077 1.380 1.00 0.00 C ATOM 221 C ILE A 14 -0.770 -10.414 1.852 1.00 0.00 C ATOM 222 O ILE A 14 -0.043 -10.474 2.845 1.00 0.00 O ATOM 223 CB ILE A 14 -0.258 -8.285 0.634 1.00 0.00 C ATOM 224 CG1 ILE A 14 -0.787 -6.908 0.201 1.00 0.00 C ATOM 225 CG2 ILE A 14 0.245 -9.087 -0.574 1.00 0.00 C ATOM 226 CD1 ILE A 14 0.293 -6.071 -0.479 1.00 0.00 C ATOM 0 H ILE A 14 -1.213 -8.455 3.363 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.181 -9.248 0.703 1.00 0.00 H new ATOM 0 HB ILE A 14 0.580 -8.120 1.311 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.627 -7.040 -0.481 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.165 -6.374 1.073 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.014 -8.516 -1.095 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.664 -10.034 -0.233 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -0.585 -9.281 -1.253 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.123 -5.106 -0.769 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.122 -5.916 0.212 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.653 -6.592 -1.366 1.00 0.00 H new ATOM 238 N GLY A 15 -1.104 -11.490 1.135 1.00 0.00 N ATOM 239 CA GLY A 15 -0.653 -12.827 1.476 1.00 0.00 C ATOM 240 C GLY A 15 -0.995 -13.165 2.926 1.00 0.00 C ATOM 241 O GLY A 15 -2.037 -12.749 3.438 1.00 0.00 O ATOM 0 H GLY A 15 -1.694 -11.451 0.304 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.119 -13.553 0.810 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.424 -12.901 1.325 1.00 0.00 H new ATOM 245 N ASP A 16 -0.109 -13.918 3.580 1.00 0.00 N ATOM 246 CA ASP A 16 -0.243 -14.279 4.984 1.00 0.00 C ATOM 247 C ASP A 16 1.006 -13.858 5.769 1.00 0.00 C ATOM 248 O ASP A 16 1.226 -14.313 6.889 1.00 0.00 O ATOM 249 CB ASP A 16 -0.559 -15.770 5.115 1.00 0.00 C ATOM 250 CG ASP A 16 0.581 -16.662 4.624 1.00 0.00 C ATOM 251 OD1 ASP A 16 0.824 -16.677 3.394 1.00 0.00 O ATOM 252 OD2 ASP A 16 1.201 -17.324 5.486 1.00 0.00 O ATOM 0 H ASP A 16 0.730 -14.297 3.141 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.081 -13.737 5.423 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.772 -16.001 6.159 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.462 -15.997 4.548 1.00 0.00 H new ATOM 257 N ASP A 17 1.829 -12.986 5.170 1.00 0.00 N ATOM 258 CA ASP A 17 3.071 -12.513 5.771 1.00 0.00 C ATOM 259 C ASP A 17 3.248 -11.002 5.600 1.00 0.00 C ATOM 260 O ASP A 17 4.268 -10.475 6.038 1.00 0.00 O ATOM 261 CB ASP A 17 4.266 -13.236 5.145 1.00 0.00 C ATOM 262 CG ASP A 17 4.228 -14.740 5.395 1.00 0.00 C ATOM 263 OD1 ASP A 17 4.447 -15.133 6.562 1.00 0.00 O ATOM 264 OD2 ASP A 17 3.981 -15.483 4.418 1.00 0.00 O ATOM 0 H ASP A 17 1.645 -12.590 4.248 1.00 0.00 H new ATOM 0 HA ASP A 17 3.020 -12.731 6.838 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.280 -13.049 4.071 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.190 -12.825 5.552 1.00 0.00 H new ATOM 269 N ILE A 18 2.294 -10.295 4.981 1.00 0.00 N ATOM 270 CA ILE A 18 2.464 -8.869 4.740 1.00 0.00 C ATOM 271 C ILE A 18 1.217 -8.080 5.134 1.00 0.00 C ATOM 272 O ILE A 18 0.090 -8.561 5.021 1.00 0.00 O ATOM 273 CB ILE A 18 2.808 -8.617 3.262 1.00 0.00 C ATOM 274 CG1 ILE A 18 4.061 -9.382 2.814 1.00 0.00 C ATOM 275 CG2 ILE A 18 3.041 -7.124 3.011 1.00 0.00 C ATOM 276 CD1 ILE A 18 3.670 -10.693 2.128 1.00 0.00 C ATOM 0 H ILE A 18 1.413 -10.685 4.645 1.00 0.00 H new ATOM 0 HA ILE A 18 3.288 -8.522 5.364 1.00 0.00 H new ATOM 0 HB ILE A 18 1.956 -8.975 2.684 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.645 -8.767 2.130 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.695 -9.590 3.676 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.283 -6.965 1.960 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.139 -6.567 3.264 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.867 -6.776 3.630 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.570 -11.223 1.816 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.106 -11.314 2.824 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.055 -10.477 1.254 1.00 0.00 H new ATOM 288 N THR A 19 1.451 -6.852 5.596 1.00 0.00 N ATOM 289 CA THR A 19 0.424 -5.882 5.932 1.00 0.00 C ATOM 290 C THR A 19 0.910 -4.522 5.436 1.00 0.00 C ATOM 291 O THR A 19 2.112 -4.307 5.289 1.00 0.00 O ATOM 292 CB THR A 19 0.174 -5.902 7.446 1.00 0.00 C ATOM 293 OG1 THR A 19 -0.357 -7.157 7.813 1.00 0.00 O ATOM 294 CG2 THR A 19 -0.799 -4.819 7.905 1.00 0.00 C ATOM 0 H THR A 19 2.395 -6.499 5.750 1.00 0.00 H new ATOM 0 HA THR A 19 -0.529 -6.114 5.457 1.00 0.00 H new ATOM 0 HB THR A 19 1.134 -5.714 7.927 1.00 0.00 H new ATOM 0 HG1 THR A 19 -0.517 -7.175 8.780 1.00 0.00 H new ATOM 0 HG21 THR A 19 -0.934 -4.885 8.985 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.399 -3.838 7.649 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.760 -4.959 7.410 1.00 0.00 H new ATOM 302 N ILE A 20 -0.023 -3.604 5.183 1.00 0.00 N ATOM 303 CA ILE A 20 0.256 -2.291 4.618 1.00 0.00 C ATOM 304 C ILE A 20 -0.504 -1.257 5.435 1.00 0.00 C ATOM 305 O ILE A 20 -1.575 -1.555 5.963 1.00 0.00 O ATOM 306 CB ILE A 20 -0.191 -2.265 3.148 1.00 0.00 C ATOM 307 CG1 ILE A 20 0.494 -3.354 2.313 1.00 0.00 C ATOM 308 CG2 ILE A 20 0.068 -0.888 2.527 1.00 0.00 C ATOM 309 CD1 ILE A 20 1.999 -3.127 2.168 1.00 0.00 C ATOM 0 H ILE A 20 -1.014 -3.759 5.370 1.00 0.00 H new ATOM 0 HA ILE A 20 1.322 -2.068 4.652 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.262 -2.468 3.140 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.320 -4.325 2.777 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.039 -3.387 1.323 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.256 -0.892 1.486 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.489 -0.130 3.078 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.133 -0.662 2.575 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.432 -3.928 1.568 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.177 -2.170 1.678 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.463 -3.122 3.154 1.00 0.00 H new ATOM 321 N THR A 21 0.040 -0.043 5.540 1.00 0.00 N ATOM 322 CA THR A 21 -0.580 1.002 6.341 1.00 0.00 C ATOM 323 C THR A 21 -0.419 2.355 5.661 1.00 0.00 C ATOM 324 O THR A 21 0.572 2.610 4.977 1.00 0.00 O ATOM 325 CB THR A 21 0.062 1.015 7.731 1.00 0.00 C ATOM 326 OG1 THR A 21 0.059 -0.289 8.270 1.00 0.00 O ATOM 327 CG2 THR A 21 -0.690 1.924 8.702 1.00 0.00 C ATOM 0 H THR A 21 0.907 0.236 5.080 1.00 0.00 H new ATOM 0 HA THR A 21 -1.647 0.801 6.441 1.00 0.00 H new ATOM 0 HB THR A 21 1.078 1.391 7.609 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.472 -0.277 9.159 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.199 1.902 9.675 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.691 2.944 8.319 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.717 1.575 8.806 1.00 0.00 H new ATOM 335 N ILE A 22 -1.408 3.226 5.861 1.00 0.00 N ATOM 336 CA ILE A 22 -1.423 4.583 5.341 1.00 0.00 C ATOM 337 C ILE A 22 -1.172 5.505 6.537 1.00 0.00 C ATOM 338 O ILE A 22 -2.105 5.973 7.181 1.00 0.00 O ATOM 339 CB ILE A 22 -2.756 4.835 4.608 1.00 0.00 C ATOM 340 CG1 ILE A 22 -3.024 6.308 4.298 1.00 0.00 C ATOM 341 CG2 ILE A 22 -3.957 4.303 5.392 1.00 0.00 C ATOM 342 CD1 ILE A 22 -1.842 6.969 3.606 1.00 0.00 C ATOM 0 H ILE A 22 -2.240 2.996 6.404 1.00 0.00 H new ATOM 0 HA ILE A 22 -0.649 4.771 4.597 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.641 4.294 3.669 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.907 6.390 3.665 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.245 6.839 5.224 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.873 4.504 4.836 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.849 3.228 5.538 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.006 4.797 6.362 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.076 8.014 3.405 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.965 6.911 4.250 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.637 6.456 2.667 1.00 0.00 H new ATOM 354 N LEU A 23 0.103 5.769 6.841 1.00 0.00 N ATOM 355 CA LEU A 23 0.458 6.476 8.066 1.00 0.00 C ATOM 356 C LEU A 23 -0.106 7.900 8.046 1.00 0.00 C ATOM 357 O LEU A 23 -0.366 8.471 9.104 1.00 0.00 O ATOM 358 CB LEU A 23 1.981 6.504 8.286 1.00 0.00 C ATOM 359 CG LEU A 23 2.727 5.268 7.772 1.00 0.00 C ATOM 360 CD1 LEU A 23 4.223 5.458 8.004 1.00 0.00 C ATOM 361 CD2 LEU A 23 2.284 4.000 8.491 1.00 0.00 C ATOM 0 H LEU A 23 0.897 5.504 6.258 1.00 0.00 H new ATOM 0 HA LEU A 23 0.014 5.932 8.900 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.389 7.388 7.795 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.178 6.613 9.353 1.00 0.00 H new ATOM 0 HG LEU A 23 2.503 5.159 6.711 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.762 4.583 7.641 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.565 6.343 7.467 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.413 5.584 9.070 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.836 3.147 8.098 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.481 4.099 9.558 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.217 3.846 8.332 1.00 0.00 H new ATOM 373 N GLY A 24 -0.300 8.472 6.852 1.00 0.00 N ATOM 374 CA GLY A 24 -0.957 9.765 6.715 1.00 0.00 C ATOM 375 C GLY A 24 -0.679 10.413 5.366 1.00 0.00 C ATOM 376 O GLY A 24 -0.160 9.755 4.465 1.00 0.00 O ATOM 0 H GLY A 24 -0.008 8.054 5.968 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.032 9.639 6.841 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.619 10.428 7.511 1.00 0.00 H new ATOM 380 N VAL A 25 -1.022 11.694 5.218 1.00 0.00 N ATOM 381 CA VAL A 25 -0.699 12.435 4.005 1.00 0.00 C ATOM 382 C VAL A 25 -0.011 13.748 4.358 1.00 0.00 C ATOM 383 O VAL A 25 -0.024 14.181 5.511 1.00 0.00 O ATOM 384 CB VAL A 25 -1.927 12.661 3.105 1.00 0.00 C ATOM 385 CG1 VAL A 25 -2.849 11.443 3.071 1.00 0.00 C ATOM 386 CG2 VAL A 25 -2.742 13.880 3.535 1.00 0.00 C ATOM 0 H VAL A 25 -1.522 12.236 5.923 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.008 11.826 3.422 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.526 12.834 2.106 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.701 11.650 2.423 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.301 10.583 2.686 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.203 11.227 4.079 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.598 13.998 2.870 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.093 13.741 4.557 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.117 14.772 3.484 1.00 0.00 H new ATOM 396 N SER A 26 0.592 14.374 3.346 1.00 0.00 N ATOM 397 CA SER A 26 1.350 15.611 3.494 1.00 0.00 C ATOM 398 C SER A 26 1.157 16.450 2.239 1.00 0.00 C ATOM 399 O SER A 26 2.121 16.929 1.645 1.00 0.00 O ATOM 400 CB SER A 26 2.833 15.289 3.698 1.00 0.00 C ATOM 401 OG SER A 26 3.016 14.525 4.872 1.00 0.00 O ATOM 0 H SER A 26 0.565 14.028 2.387 1.00 0.00 H new ATOM 0 HA SER A 26 0.997 16.167 4.363 1.00 0.00 H new ATOM 0 HB2 SER A 26 3.214 14.740 2.837 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.406 16.214 3.766 1.00 0.00 H new ATOM 0 HG SER A 26 3.969 14.326 4.988 1.00 0.00 H new ATOM 407 N GLY A 27 -0.102 16.621 1.833 1.00 0.00 N ATOM 408 CA GLY A 27 -0.444 17.213 0.556 1.00 0.00 C ATOM 409 C GLY A 27 -0.993 16.113 -0.335 1.00 0.00 C ATOM 410 O GLY A 27 -1.781 15.276 0.113 1.00 0.00 O ATOM 0 H GLY A 27 -0.912 16.348 2.390 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.184 18.003 0.687 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.434 17.671 0.100 1.00 0.00 H new ATOM 414 N GLN A 28 -0.573 16.111 -1.595 1.00 0.00 N ATOM 415 CA GLN A 28 -0.847 15.002 -2.493 1.00 0.00 C ATOM 416 C GLN A 28 0.198 13.928 -2.232 1.00 0.00 C ATOM 417 O GLN A 28 0.103 12.819 -2.756 1.00 0.00 O ATOM 418 CB GLN A 28 -0.802 15.482 -3.942 1.00 0.00 C ATOM 419 CG GLN A 28 -2.189 15.962 -4.372 1.00 0.00 C ATOM 420 CD GLN A 28 -2.676 17.084 -3.462 1.00 0.00 C ATOM 421 OE1 GLN A 28 -2.356 18.248 -3.683 1.00 0.00 O ATOM 422 NE2 GLN A 28 -3.453 16.739 -2.438 1.00 0.00 N ATOM 0 H GLN A 28 -0.039 16.871 -2.017 1.00 0.00 H new ATOM 0 HA GLN A 28 -1.842 14.594 -2.318 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -0.079 16.291 -4.044 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -0.469 14.673 -4.592 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.155 16.313 -5.404 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -2.893 15.130 -4.341 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.696 15.760 -2.289 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -3.806 17.454 -1.802 1.00 0.00 H new ATOM 431 N GLN A 29 1.192 14.269 -1.412 1.00 0.00 N ATOM 432 CA GLN A 29 2.184 13.351 -0.900 1.00 0.00 C ATOM 433 C GLN A 29 1.511 12.468 0.142 1.00 0.00 C ATOM 434 O GLN A 29 0.575 12.902 0.816 1.00 0.00 O ATOM 435 CB GLN A 29 3.314 14.163 -0.272 1.00 0.00 C ATOM 436 CG GLN A 29 4.416 14.456 -1.291 1.00 0.00 C ATOM 437 CD GLN A 29 5.224 13.205 -1.612 1.00 0.00 C ATOM 438 OE1 GLN A 29 4.864 12.095 -1.221 1.00 0.00 O ATOM 439 NE2 GLN A 29 6.330 13.354 -2.330 1.00 0.00 N ATOM 0 H GLN A 29 1.325 15.225 -1.081 1.00 0.00 H new ATOM 0 HA GLN A 29 2.598 12.725 -1.691 1.00 0.00 H new ATOM 0 HB2 GLN A 29 2.918 15.100 0.119 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.732 13.616 0.573 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.972 14.849 -2.206 1.00 0.00 H new ATOM 0 HG3 GLN A 29 5.078 15.229 -0.901 1.00 0.00 H new ATOM 0 HE21 GLN A 29 6.612 14.282 -2.645 1.00 0.00 H new ATOM 0 HE22 GLN A 29 6.898 12.540 -2.567 1.00 0.00 H new ATOM 448 N VAL A 30 1.982 11.228 0.288 1.00 0.00 N ATOM 449 CA VAL A 30 1.344 10.247 1.157 1.00 0.00 C ATOM 450 C VAL A 30 2.400 9.427 1.889 1.00 0.00 C ATOM 451 O VAL A 30 3.311 8.878 1.270 1.00 0.00 O ATOM 452 CB VAL A 30 0.435 9.335 0.319 1.00 0.00 C ATOM 453 CG1 VAL A 30 -0.320 8.377 1.233 1.00 0.00 C ATOM 454 CG2 VAL A 30 -0.608 10.153 -0.448 1.00 0.00 C ATOM 0 H VAL A 30 2.812 10.880 -0.192 1.00 0.00 H new ATOM 0 HA VAL A 30 0.738 10.763 1.901 1.00 0.00 H new ATOM 0 HB VAL A 30 1.070 8.793 -0.381 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.963 7.733 0.633 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.392 7.765 1.787 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.930 8.947 1.934 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.238 9.483 -1.033 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.226 10.708 0.258 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.103 10.851 -1.116 1.00 0.00 H new ATOM 464 N ARG A 31 2.269 9.349 3.220 1.00 0.00 N ATOM 465 CA ARG A 31 3.128 8.555 4.081 1.00 0.00 C ATOM 466 C ARG A 31 2.571 7.140 4.114 1.00 0.00 C ATOM 467 O ARG A 31 1.432 6.943 4.534 1.00 0.00 O ATOM 468 CB ARG A 31 3.093 9.137 5.496 1.00 0.00 C ATOM 469 CG ARG A 31 3.901 10.428 5.626 1.00 0.00 C ATOM 470 CD ARG A 31 5.405 10.132 5.577 1.00 0.00 C ATOM 471 NE ARG A 31 5.817 9.241 6.668 1.00 0.00 N ATOM 472 CZ ARG A 31 5.933 9.601 7.950 1.00 0.00 C ATOM 473 NH1 ARG A 31 5.717 10.856 8.335 1.00 0.00 N ATOM 474 NH2 ARG A 31 6.265 8.692 8.865 1.00 0.00 N ATOM 0 H ARG A 31 1.543 9.851 3.731 1.00 0.00 H new ATOM 0 HA ARG A 31 4.153 8.558 3.711 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.058 9.331 5.778 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.481 8.399 6.197 1.00 0.00 H new ATOM 0 HG2 ARG A 31 3.634 11.113 4.822 1.00 0.00 H new ATOM 0 HG3 ARG A 31 3.653 10.925 6.564 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.655 9.675 4.619 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.962 11.067 5.640 1.00 0.00 H new ATOM 0 HE ARG A 31 6.031 8.273 6.430 1.00 0.00 H new ATOM 0 HH11 ARG A 31 5.458 11.563 7.647 1.00 0.00 H new ATOM 0 HH12 ARG A 31 5.811 11.111 9.318 1.00 0.00 H new ATOM 0 HH21 ARG A 31 6.430 7.725 8.587 1.00 0.00 H new ATOM 0 HH22 ARG A 31 6.354 8.963 9.844 1.00 0.00 H new ATOM 488 N ILE A 32 3.363 6.163 3.675 1.00 0.00 N ATOM 489 CA ILE A 32 2.914 4.787 3.561 1.00 0.00 C ATOM 490 C ILE A 32 3.917 3.870 4.242 1.00 0.00 C ATOM 491 O ILE A 32 5.124 4.063 4.130 1.00 0.00 O ATOM 492 CB ILE A 32 2.774 4.415 2.080 1.00 0.00 C ATOM 493 CG1 ILE A 32 1.835 5.405 1.378 1.00 0.00 C ATOM 494 CG2 ILE A 32 2.247 2.981 1.944 1.00 0.00 C ATOM 495 CD1 ILE A 32 1.656 5.071 -0.102 1.00 0.00 C ATOM 0 H ILE A 32 4.332 6.308 3.390 1.00 0.00 H new ATOM 0 HA ILE A 32 1.944 4.674 4.046 1.00 0.00 H new ATOM 0 HB ILE A 32 3.753 4.468 1.604 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.863 5.396 1.872 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.233 6.415 1.476 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.151 2.727 0.888 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.943 2.291 2.422 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.272 2.904 2.425 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.984 5.797 -0.560 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.624 5.106 -0.603 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.232 4.072 -0.201 1.00 0.00 H new ATOM 507 N GLY A 33 3.407 2.865 4.954 1.00 0.00 N ATOM 508 CA GLY A 33 4.238 1.922 5.674 1.00 0.00 C ATOM 509 C GLY A 33 3.923 0.505 5.235 1.00 0.00 C ATOM 510 O GLY A 33 2.846 0.227 4.706 1.00 0.00 O ATOM 0 H GLY A 33 2.406 2.689 5.043 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.290 2.141 5.493 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.071 2.024 6.746 1.00 0.00 H new ATOM 514 N ILE A 34 4.880 -0.390 5.460 1.00 0.00 N ATOM 515 CA ILE A 34 4.798 -1.778 5.054 1.00 0.00 C ATOM 516 C ILE A 34 5.269 -2.621 6.226 1.00 0.00 C ATOM 517 O ILE A 34 6.142 -2.208 6.991 1.00 0.00 O ATOM 518 CB ILE A 34 5.666 -1.993 3.805 1.00 0.00 C ATOM 519 CG1 ILE A 34 5.212 -1.046 2.690 1.00 0.00 C ATOM 520 CG2 ILE A 34 5.579 -3.448 3.334 1.00 0.00 C ATOM 521 CD1 ILE A 34 6.153 -1.087 1.489 1.00 0.00 C ATOM 0 H ILE A 34 5.750 -0.160 5.940 1.00 0.00 H new ATOM 0 HA ILE A 34 3.780 -2.066 4.793 1.00 0.00 H new ATOM 0 HB ILE A 34 6.704 -1.776 4.056 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.205 -1.317 2.372 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.161 -0.028 3.077 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.200 -3.581 2.448 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.930 -4.109 4.127 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.544 -3.691 3.091 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.794 -0.401 0.722 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.154 -0.791 1.801 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.184 -2.099 1.085 1.00 0.00 H new ATOM 533 N ASN A 35 4.689 -3.809 6.368 1.00 0.00 N ATOM 534 CA ASN A 35 4.956 -4.670 7.502 1.00 0.00 C ATOM 535 C ASN A 35 5.087 -6.107 7.009 1.00 0.00 C ATOM 536 O ASN A 35 4.098 -6.830 6.904 1.00 0.00 O ATOM 537 CB ASN A 35 3.836 -4.513 8.528 1.00 0.00 C ATOM 538 CG ASN A 35 4.100 -5.308 9.801 1.00 0.00 C ATOM 539 OD1 ASN A 35 5.196 -5.819 10.014 1.00 0.00 O ATOM 540 ND2 ASN A 35 3.093 -5.415 10.660 1.00 0.00 N ATOM 0 H ASN A 35 4.023 -4.196 5.699 1.00 0.00 H new ATOM 0 HA ASN A 35 5.891 -4.394 7.990 1.00 0.00 H new ATOM 0 HB2 ASN A 35 3.721 -3.458 8.778 1.00 0.00 H new ATOM 0 HB3 ASN A 35 2.894 -4.840 8.087 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.217 -5.935 11.529 1.00 0.00 H new ATOM 0 HD22 ASN A 35 2.196 -4.978 10.451 1.00 0.00 H new ATOM 547 N ALA A 36 6.325 -6.498 6.708 1.00 0.00 N ATOM 548 CA ALA A 36 6.648 -7.821 6.197 1.00 0.00 C ATOM 549 C ALA A 36 7.968 -8.297 6.788 1.00 0.00 C ATOM 550 O ALA A 36 8.778 -7.483 7.229 1.00 0.00 O ATOM 551 CB ALA A 36 6.771 -7.743 4.676 1.00 0.00 C ATOM 0 H ALA A 36 7.139 -5.893 6.815 1.00 0.00 H new ATOM 0 HA ALA A 36 5.862 -8.523 6.474 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.013 -8.729 4.280 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.826 -7.403 4.252 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.561 -7.041 4.410 1.00 0.00 H new ATOM 557 N PRO A 37 8.195 -9.616 6.803 1.00 0.00 N ATOM 558 CA PRO A 37 9.479 -10.180 7.147 1.00 0.00 C ATOM 559 C PRO A 37 10.495 -9.805 6.085 1.00 0.00 C ATOM 560 O PRO A 37 10.142 -9.561 4.934 1.00 0.00 O ATOM 561 CB PRO A 37 9.257 -11.692 7.176 1.00 0.00 C ATOM 562 CG PRO A 37 8.042 -11.922 6.280 1.00 0.00 C ATOM 563 CD PRO A 37 7.233 -10.652 6.477 1.00 0.00 C ATOM 0 HA PRO A 37 9.858 -9.815 8.102 1.00 0.00 H new ATOM 0 HB2 PRO A 37 10.130 -12.228 6.804 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.074 -12.046 8.190 1.00 0.00 H new ATOM 0 HG2 PRO A 37 8.329 -12.061 5.238 1.00 0.00 H new ATOM 0 HG3 PRO A 37 7.482 -12.809 6.578 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.677 -10.399 5.574 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.503 -10.774 7.277 1.00 0.00 H new ATOM 571 N LYS A 38 11.774 -9.756 6.461 1.00 0.00 N ATOM 572 CA LYS A 38 12.862 -9.494 5.528 1.00 0.00 C ATOM 573 C LYS A 38 13.004 -10.670 4.567 1.00 0.00 C ATOM 574 O LYS A 38 13.851 -10.676 3.676 1.00 0.00 O ATOM 575 CB LYS A 38 14.138 -9.231 6.315 1.00 0.00 C ATOM 576 CG LYS A 38 13.839 -8.124 7.325 1.00 0.00 C ATOM 577 CD LYS A 38 15.009 -7.917 8.265 1.00 0.00 C ATOM 578 CE LYS A 38 16.094 -7.070 7.599 1.00 0.00 C ATOM 579 NZ LYS A 38 17.195 -6.791 8.537 1.00 0.00 N ATOM 0 H LYS A 38 12.081 -9.898 7.423 1.00 0.00 H new ATOM 0 HA LYS A 38 12.652 -8.609 4.928 1.00 0.00 H new ATOM 0 HB2 LYS A 38 14.466 -10.136 6.825 1.00 0.00 H new ATOM 0 HB3 LYS A 38 14.945 -8.931 5.647 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.622 -7.195 6.798 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.948 -8.381 7.898 1.00 0.00 H new ATOM 0 HD2 LYS A 38 14.667 -7.427 9.177 1.00 0.00 H new ATOM 0 HD3 LYS A 38 15.422 -8.882 8.557 1.00 0.00 H new ATOM 0 HE2 LYS A 38 16.481 -7.591 6.723 1.00 0.00 H new ATOM 0 HE3 LYS A 38 15.664 -6.132 7.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 17.919 -6.215 8.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 16.827 -6.274 9.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 17.618 -7.687 8.852 1.00 0.00 H new ATOM 593 N ASP A 39 12.145 -11.666 4.779 1.00 0.00 N ATOM 594 CA ASP A 39 11.951 -12.815 3.912 1.00 0.00 C ATOM 595 C ASP A 39 11.419 -12.389 2.543 1.00 0.00 C ATOM 596 O ASP A 39 11.399 -13.192 1.611 1.00 0.00 O ATOM 597 CB ASP A 39 10.924 -13.732 4.574 1.00 0.00 C ATOM 598 CG ASP A 39 11.006 -15.157 4.030 1.00 0.00 C ATOM 599 OD1 ASP A 39 12.094 -15.762 4.164 1.00 0.00 O ATOM 600 OD2 ASP A 39 9.986 -15.632 3.487 1.00 0.00 O ATOM 0 H ASP A 39 11.540 -11.690 5.600 1.00 0.00 H new ATOM 0 HA ASP A 39 12.906 -13.320 3.767 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.088 -13.744 5.652 1.00 0.00 H new ATOM 0 HB3 ASP A 39 9.922 -13.336 4.408 1.00 0.00 H new ATOM 605 N VAL A 40 10.992 -11.126 2.419 1.00 0.00 N ATOM 606 CA VAL A 40 10.473 -10.563 1.178 1.00 0.00 C ATOM 607 C VAL A 40 11.072 -9.177 0.970 1.00 0.00 C ATOM 608 O VAL A 40 11.557 -8.554 1.914 1.00 0.00 O ATOM 609 CB VAL A 40 8.937 -10.500 1.194 1.00 0.00 C ATOM 610 CG1 VAL A 40 8.344 -11.832 1.647 1.00 0.00 C ATOM 611 CG2 VAL A 40 8.424 -9.410 2.130 1.00 0.00 C ATOM 0 H VAL A 40 11.000 -10.461 3.193 1.00 0.00 H new ATOM 0 HA VAL A 40 10.759 -11.209 0.348 1.00 0.00 H new ATOM 0 HB VAL A 40 8.626 -10.275 0.174 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.256 -11.764 1.651 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.656 -12.621 0.962 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.696 -12.064 2.652 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.334 -9.399 2.112 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.768 -9.610 3.145 1.00 0.00 H new ATOM 0 HG23 VAL A 40 8.802 -8.442 1.803 1.00 0.00 H new ATOM 621 N ALA A 41 11.041 -8.693 -0.269 1.00 0.00 N ATOM 622 CA ALA A 41 11.616 -7.408 -0.620 1.00 0.00 C ATOM 623 C ALA A 41 10.518 -6.361 -0.757 1.00 0.00 C ATOM 624 O ALA A 41 9.458 -6.652 -1.309 1.00 0.00 O ATOM 625 CB ALA A 41 12.364 -7.569 -1.942 1.00 0.00 C ATOM 0 H ALA A 41 10.615 -9.185 -1.055 1.00 0.00 H new ATOM 0 HA ALA A 41 12.302 -7.076 0.160 1.00 0.00 H new ATOM 0 HB1 ALA A 41 12.806 -6.615 -2.228 1.00 0.00 H new ATOM 0 HB2 ALA A 41 13.151 -8.314 -1.826 1.00 0.00 H new ATOM 0 HB3 ALA A 41 11.669 -7.893 -2.716 1.00 0.00 H new ATOM 631 N VAL A 42 10.769 -5.144 -0.257 1.00 0.00 N ATOM 632 CA VAL A 42 9.821 -4.045 -0.403 1.00 0.00 C ATOM 633 C VAL A 42 10.578 -2.741 -0.624 1.00 0.00 C ATOM 634 O VAL A 42 11.414 -2.352 0.193 1.00 0.00 O ATOM 635 CB VAL A 42 8.879 -3.952 0.811 1.00 0.00 C ATOM 636 CG1 VAL A 42 8.014 -5.213 0.906 1.00 0.00 C ATOM 637 CG2 VAL A 42 9.622 -3.818 2.136 1.00 0.00 C ATOM 0 H VAL A 42 11.620 -4.901 0.250 1.00 0.00 H new ATOM 0 HA VAL A 42 9.194 -4.236 -1.274 1.00 0.00 H new ATOM 0 HB VAL A 42 8.278 -3.057 0.651 1.00 0.00 H new ATOM 0 HG11 VAL A 42 7.352 -5.136 1.768 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.418 -5.315 -0.001 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.656 -6.087 1.018 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.902 -3.757 2.952 1.00 0.00 H new ATOM 0 HG22 VAL A 42 10.264 -4.687 2.283 1.00 0.00 H new ATOM 0 HG23 VAL A 42 10.232 -2.914 2.122 1.00 0.00 H new ATOM 647 N HIS A 43 10.292 -2.050 -1.734 1.00 0.00 N ATOM 648 CA HIS A 43 10.994 -0.821 -2.085 1.00 0.00 C ATOM 649 C HIS A 43 10.155 0.037 -3.026 1.00 0.00 C ATOM 650 O HIS A 43 9.179 -0.442 -3.603 1.00 0.00 O ATOM 651 CB HIS A 43 12.322 -1.138 -2.789 1.00 0.00 C ATOM 652 CG HIS A 43 13.076 -2.331 -2.263 1.00 0.00 C ATOM 653 ND1 HIS A 43 14.198 -2.277 -1.433 1.00 0.00 N ATOM 654 CD2 HIS A 43 12.778 -3.635 -2.527 1.00 0.00 C ATOM 655 CE1 HIS A 43 14.547 -3.554 -1.218 1.00 0.00 C ATOM 656 NE2 HIS A 43 13.712 -4.390 -1.858 1.00 0.00 N ATOM 0 H HIS A 43 9.575 -2.327 -2.404 1.00 0.00 H new ATOM 0 HA HIS A 43 11.180 -0.280 -1.157 1.00 0.00 H new ATOM 0 HB2 HIS A 43 12.120 -1.298 -3.848 1.00 0.00 H new ATOM 0 HB3 HIS A 43 12.968 -0.263 -2.716 1.00 0.00 H new ATOM 0 HD1 HIS A 43 14.656 -1.442 -1.067 1.00 0.00 H new ATOM 0 HD2 HIS A 43 11.968 -4.002 -3.140 1.00 0.00 H new ATOM 0 HE1 HIS A 43 15.385 -3.868 -0.613 1.00 0.00 H new ATOM 664 N ARG A 44 10.530 1.309 -3.185 1.00 0.00 N ATOM 665 CA ARG A 44 9.936 2.163 -4.206 1.00 0.00 C ATOM 666 C ARG A 44 10.524 1.779 -5.564 1.00 0.00 C ATOM 667 O ARG A 44 11.558 1.110 -5.623 1.00 0.00 O ATOM 668 CB ARG A 44 10.163 3.645 -3.890 1.00 0.00 C ATOM 669 CG ARG A 44 11.645 3.992 -3.756 1.00 0.00 C ATOM 670 CD ARG A 44 11.809 5.491 -3.518 1.00 0.00 C ATOM 671 NE ARG A 44 13.220 5.835 -3.306 1.00 0.00 N ATOM 672 CZ ARG A 44 13.765 7.022 -3.584 1.00 0.00 C ATOM 673 NH1 ARG A 44 13.029 8.007 -4.089 1.00 0.00 N ATOM 674 NH2 ARG A 44 15.057 7.227 -3.354 1.00 0.00 N ATOM 0 H ARG A 44 11.243 1.767 -2.617 1.00 0.00 H new ATOM 0 HA ARG A 44 8.856 2.014 -4.227 1.00 0.00 H new ATOM 0 HB2 ARG A 44 9.720 4.254 -4.678 1.00 0.00 H new ATOM 0 HB3 ARG A 44 9.648 3.899 -2.964 1.00 0.00 H new ATOM 0 HG2 ARG A 44 12.085 3.434 -2.930 1.00 0.00 H new ATOM 0 HG3 ARG A 44 12.179 3.698 -4.659 1.00 0.00 H new ATOM 0 HD2 ARG A 44 11.420 6.044 -4.373 1.00 0.00 H new ATOM 0 HD3 ARG A 44 11.222 5.792 -2.650 1.00 0.00 H new ATOM 0 HE ARG A 44 13.829 5.115 -2.918 1.00 0.00 H new ATOM 0 HH11 ARG A 44 12.036 7.861 -4.269 1.00 0.00 H new ATOM 0 HH12 ARG A 44 13.458 8.909 -4.297 1.00 0.00 H new ATOM 0 HH21 ARG A 44 15.631 6.478 -2.966 1.00 0.00 H new ATOM 0 HH22 ARG A 44 15.475 8.133 -3.566 1.00 0.00 H new ATOM 688 N GLU A 45 9.871 2.196 -6.647 1.00 0.00 N ATOM 689 CA GLU A 45 10.277 1.833 -7.999 1.00 0.00 C ATOM 690 C GLU A 45 11.746 2.138 -8.266 1.00 0.00 C ATOM 691 O GLU A 45 12.420 1.397 -8.974 1.00 0.00 O ATOM 692 CB GLU A 45 9.445 2.625 -9.006 1.00 0.00 C ATOM 693 CG GLU A 45 7.962 2.338 -8.823 1.00 0.00 C ATOM 694 CD GLU A 45 7.155 3.062 -9.895 1.00 0.00 C ATOM 695 OE1 GLU A 45 7.039 4.302 -9.776 1.00 0.00 O ATOM 696 OE2 GLU A 45 6.662 2.375 -10.817 1.00 0.00 O ATOM 0 H GLU A 45 9.046 2.795 -6.610 1.00 0.00 H new ATOM 0 HA GLU A 45 10.121 0.759 -8.102 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.632 3.691 -8.881 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.748 2.365 -10.020 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.781 1.265 -8.882 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.640 2.661 -7.833 1.00 0.00 H new ATOM 703 N GLU A 46 12.252 3.231 -7.697 1.00 0.00 N ATOM 704 CA GLU A 46 13.624 3.660 -7.938 1.00 0.00 C ATOM 705 C GLU A 46 14.629 2.606 -7.473 1.00 0.00 C ATOM 706 O GLU A 46 15.580 2.326 -8.196 1.00 0.00 O ATOM 707 CB GLU A 46 13.870 4.997 -7.237 1.00 0.00 C ATOM 708 CG GLU A 46 15.308 5.491 -7.432 1.00 0.00 C ATOM 709 CD GLU A 46 15.687 5.631 -8.906 1.00 0.00 C ATOM 710 OE1 GLU A 46 14.847 6.144 -9.679 1.00 0.00 O ATOM 711 OE2 GLU A 46 16.819 5.219 -9.250 1.00 0.00 O ATOM 0 H GLU A 46 11.728 3.836 -7.064 1.00 0.00 H new ATOM 0 HA GLU A 46 13.766 3.787 -9.011 1.00 0.00 H new ATOM 0 HB2 GLU A 46 13.175 5.742 -7.624 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.664 4.891 -6.172 1.00 0.00 H new ATOM 0 HG2 GLU A 46 15.427 6.455 -6.937 1.00 0.00 H new ATOM 0 HG3 GLU A 46 15.995 4.797 -6.948 1.00 0.00 H new ATOM 718 N ILE A 47 14.432 2.019 -6.290 1.00 0.00 N ATOM 719 CA ILE A 47 15.345 1.003 -5.779 1.00 0.00 C ATOM 720 C ILE A 47 15.043 -0.324 -6.463 1.00 0.00 C ATOM 721 O ILE A 47 15.952 -1.109 -6.733 1.00 0.00 O ATOM 722 CB ILE A 47 15.161 0.852 -4.262 1.00 0.00 C ATOM 723 CG1 ILE A 47 15.867 1.949 -3.464 1.00 0.00 C ATOM 724 CG2 ILE A 47 15.746 -0.473 -3.769 1.00 0.00 C ATOM 725 CD1 ILE A 47 15.376 3.353 -3.800 1.00 0.00 C ATOM 0 H ILE A 47 13.649 2.232 -5.672 1.00 0.00 H new ATOM 0 HA ILE A 47 16.373 1.300 -5.984 1.00 0.00 H new ATOM 0 HB ILE A 47 14.084 0.908 -4.101 1.00 0.00 H new ATOM 0 HG12 ILE A 47 15.720 1.766 -2.400 1.00 0.00 H new ATOM 0 HG13 ILE A 47 16.939 1.892 -3.652 1.00 0.00 H new ATOM 0 HG21 ILE A 47 15.603 -0.555 -2.692 1.00 0.00 H new ATOM 0 HG22 ILE A 47 15.241 -1.301 -4.267 1.00 0.00 H new ATOM 0 HG23 ILE A 47 16.811 -0.508 -3.997 1.00 0.00 H new ATOM 0 HD11 ILE A 47 15.919 4.082 -3.198 1.00 0.00 H new ATOM 0 HD12 ILE A 47 15.548 3.555 -4.857 1.00 0.00 H new ATOM 0 HD13 ILE A 47 14.310 3.427 -3.585 1.00 0.00 H new ATOM 737 N TYR A 48 13.763 -0.575 -6.742 1.00 0.00 N ATOM 738 CA TYR A 48 13.306 -1.834 -7.300 1.00 0.00 C ATOM 739 C TYR A 48 13.969 -2.148 -8.643 1.00 0.00 C ATOM 740 O TYR A 48 14.193 -3.312 -8.966 1.00 0.00 O ATOM 741 CB TYR A 48 11.793 -1.751 -7.472 1.00 0.00 C ATOM 742 CG TYR A 48 11.196 -3.005 -8.054 1.00 0.00 C ATOM 743 CD1 TYR A 48 10.909 -4.099 -7.228 1.00 0.00 C ATOM 744 CD2 TYR A 48 10.942 -3.065 -9.432 1.00 0.00 C ATOM 745 CE1 TYR A 48 10.359 -5.264 -7.782 1.00 0.00 C ATOM 746 CE2 TYR A 48 10.403 -4.224 -9.996 1.00 0.00 C ATOM 747 CZ TYR A 48 10.103 -5.328 -9.169 1.00 0.00 C ATOM 748 OH TYR A 48 9.573 -6.456 -9.713 1.00 0.00 O ATOM 0 H TYR A 48 13.014 0.099 -6.583 1.00 0.00 H new ATOM 0 HA TYR A 48 13.580 -2.640 -6.619 1.00 0.00 H new ATOM 0 HB2 TYR A 48 11.333 -1.552 -6.504 1.00 0.00 H new ATOM 0 HB3 TYR A 48 11.552 -0.907 -8.118 1.00 0.00 H new ATOM 0 HD1 TYR A 48 11.111 -4.046 -6.168 1.00 0.00 H new ATOM 0 HD2 TYR A 48 11.164 -2.214 -10.058 1.00 0.00 H new ATOM 0 HE1 TYR A 48 10.132 -6.110 -7.150 1.00 0.00 H new ATOM 0 HE2 TYR A 48 10.217 -4.275 -11.059 1.00 0.00 H new ATOM 0 HH TYR A 48 9.459 -6.331 -10.678 1.00 0.00 H new ATOM 1605 N MET C 1 8.368 -2.164 10.569 1.00 0.00 N ATOM 1606 CA MET C 1 7.787 -1.265 9.554 1.00 0.00 C ATOM 1607 C MET C 1 8.866 -0.772 8.602 1.00 0.00 C ATOM 1608 O MET C 1 9.945 -0.384 9.039 1.00 0.00 O ATOM 1609 CB MET C 1 7.096 -0.072 10.223 1.00 0.00 C ATOM 1610 CG MET C 1 6.255 0.736 9.241 1.00 0.00 C ATOM 1611 SD MET C 1 4.654 0.004 8.826 1.00 0.00 S ATOM 1612 CE MET C 1 3.807 0.424 10.367 1.00 0.00 C ATOM 0 H1 MET C 1 7.897 -2.006 11.483 1.00 0.00 H new ATOM 0 H2 MET C 1 8.232 -3.153 10.276 1.00 0.00 H new ATOM 0 H3 MET C 1 9.385 -1.968 10.665 1.00 0.00 H new ATOM 0 HA MET C 1 7.045 -1.826 8.986 1.00 0.00 H new ATOM 0 HB2 MET C 1 6.460 -0.431 11.033 1.00 0.00 H new ATOM 0 HB3 MET C 1 7.849 0.576 10.672 1.00 0.00 H new ATOM 0 HG2 MET C 1 6.087 1.728 9.660 1.00 0.00 H new ATOM 0 HG3 MET C 1 6.825 0.871 8.322 1.00 0.00 H new ATOM 0 HE1 MET C 1 3.393 -0.480 10.813 1.00 0.00 H new ATOM 0 HE2 MET C 1 4.516 0.878 11.059 1.00 0.00 H new ATOM 0 HE3 MET C 1 3.001 1.128 10.159 1.00 0.00 H new ATOM 1624 N LEU C 2 8.570 -0.787 7.302 1.00 0.00 N ATOM 1625 CA LEU C 2 9.425 -0.219 6.275 1.00 0.00 C ATOM 1626 C LEU C 2 8.567 0.831 5.585 1.00 0.00 C ATOM 1627 O LEU C 2 7.450 0.537 5.175 1.00 0.00 O ATOM 1628 CB LEU C 2 9.904 -1.341 5.349 1.00 0.00 C ATOM 1629 CG LEU C 2 10.840 -0.895 4.216 1.00 0.00 C ATOM 1630 CD1 LEU C 2 10.068 -0.306 3.037 1.00 0.00 C ATOM 1631 CD2 LEU C 2 11.869 0.125 4.696 1.00 0.00 C ATOM 0 H LEU C 2 7.714 -1.202 6.934 1.00 0.00 H new ATOM 0 HA LEU C 2 10.333 0.250 6.654 1.00 0.00 H new ATOM 0 HB2 LEU C 2 10.418 -2.092 5.949 1.00 0.00 H new ATOM 0 HB3 LEU C 2 9.032 -1.826 4.910 1.00 0.00 H new ATOM 0 HG LEU C 2 11.359 -1.795 3.886 1.00 0.00 H new ATOM 0 HD11 LEU C 2 10.768 -0.004 2.258 1.00 0.00 H new ATOM 0 HD12 LEU C 2 9.384 -1.056 2.639 1.00 0.00 H new ATOM 0 HD13 LEU C 2 9.500 0.562 3.371 1.00 0.00 H new ATOM 0 HD21 LEU C 2 12.511 0.414 3.864 1.00 0.00 H new ATOM 0 HD22 LEU C 2 11.356 1.006 5.081 1.00 0.00 H new ATOM 0 HD23 LEU C 2 12.476 -0.315 5.487 1.00 0.00 H new ATOM 1643 N ILE C 3 9.084 2.053 5.459 1.00 0.00 N ATOM 1644 CA ILE C 3 8.260 3.191 5.077 1.00 0.00 C ATOM 1645 C ILE C 3 8.770 3.873 3.820 1.00 0.00 C ATOM 1646 O ILE C 3 9.968 3.897 3.549 1.00 0.00 O ATOM 1647 CB ILE C 3 8.231 4.160 6.260 1.00 0.00 C ATOM 1648 CG1 ILE C 3 7.667 3.396 7.461 1.00 0.00 C ATOM 1649 CG2 ILE C 3 7.385 5.412 5.997 1.00 0.00 C ATOM 1650 CD1 ILE C 3 7.841 4.161 8.758 1.00 0.00 C ATOM 0 H ILE C 3 10.067 2.276 5.616 1.00 0.00 H new ATOM 0 HA ILE C 3 7.253 2.848 4.840 1.00 0.00 H new ATOM 0 HB ILE C 3 9.245 4.516 6.441 1.00 0.00 H new ATOM 0 HG12 ILE C 3 6.608 3.196 7.298 1.00 0.00 H new ATOM 0 HG13 ILE C 3 8.165 2.430 7.541 1.00 0.00 H new ATOM 0 HG21 ILE C 3 7.407 6.057 6.875 1.00 0.00 H new ATOM 0 HG22 ILE C 3 7.790 5.951 5.141 1.00 0.00 H new ATOM 0 HG23 ILE C 3 6.356 5.119 5.788 1.00 0.00 H new ATOM 0 HD11 ILE C 3 7.426 3.580 9.582 1.00 0.00 H new ATOM 0 HD12 ILE C 3 8.902 4.338 8.937 1.00 0.00 H new ATOM 0 HD13 ILE C 3 7.321 5.116 8.690 1.00 0.00 H new ATOM 1662 N LEU C 4 7.818 4.420 3.068 1.00 0.00 N ATOM 1663 CA LEU C 4 8.045 5.109 1.818 1.00 0.00 C ATOM 1664 C LEU C 4 7.063 6.272 1.727 1.00 0.00 C ATOM 1665 O LEU C 4 6.007 6.256 2.357 1.00 0.00 O ATOM 1666 CB LEU C 4 7.847 4.141 0.651 1.00 0.00 C ATOM 1667 CG LEU C 4 8.942 3.073 0.591 1.00 0.00 C ATOM 1668 CD1 LEU C 4 8.589 2.056 -0.485 1.00 0.00 C ATOM 1669 CD2 LEU C 4 10.297 3.683 0.240 1.00 0.00 C ATOM 0 H LEU C 4 6.833 4.390 3.330 1.00 0.00 H new ATOM 0 HA LEU C 4 9.065 5.490 1.772 1.00 0.00 H new ATOM 0 HB2 LEU C 4 6.875 3.657 0.744 1.00 0.00 H new ATOM 0 HB3 LEU C 4 7.836 4.700 -0.284 1.00 0.00 H new ATOM 0 HG LEU C 4 9.007 2.604 1.573 1.00 0.00 H new ATOM 0 HD11 LEU C 4 9.365 1.292 -0.533 1.00 0.00 H new ATOM 0 HD12 LEU C 4 7.634 1.588 -0.244 1.00 0.00 H new ATOM 0 HD13 LEU C 4 8.514 2.558 -1.450 1.00 0.00 H new ATOM 0 HD21 LEU C 4 11.052 2.897 0.206 1.00 0.00 H new ATOM 0 HD22 LEU C 4 10.236 4.170 -0.733 1.00 0.00 H new ATOM 0 HD23 LEU C 4 10.572 4.418 0.997 1.00 0.00 H new ATOM 1681 N THR C 5 7.412 7.284 0.934 1.00 0.00 N ATOM 1682 CA THR C 5 6.589 8.476 0.807 1.00 0.00 C ATOM 1683 C THR C 5 6.516 8.861 -0.658 1.00 0.00 C ATOM 1684 O THR C 5 7.527 9.208 -1.266 1.00 0.00 O ATOM 1685 CB THR C 5 7.194 9.598 1.651 1.00 0.00 C ATOM 1686 OG1 THR C 5 7.349 9.151 2.981 1.00 0.00 O ATOM 1687 CG2 THR C 5 6.298 10.835 1.664 1.00 0.00 C ATOM 0 H THR C 5 8.262 7.298 0.370 1.00 0.00 H new ATOM 0 HA THR C 5 5.578 8.290 1.169 1.00 0.00 H new ATOM 0 HB THR C 5 8.156 9.863 1.212 1.00 0.00 H new ATOM 0 HG1 THR C 5 7.738 9.868 3.524 1.00 0.00 H new ATOM 0 HG21 THR C 5 6.759 11.612 2.273 1.00 0.00 H new ATOM 0 HG22 THR C 5 6.169 11.201 0.646 1.00 0.00 H new ATOM 0 HG23 THR C 5 5.325 10.575 2.082 1.00 0.00 H new ATOM 1695 N ARG C 6 5.306 8.797 -1.218 1.00 0.00 N ATOM 1696 CA ARG C 6 5.063 9.060 -2.629 1.00 0.00 C ATOM 1697 C ARG C 6 3.736 9.787 -2.787 1.00 0.00 C ATOM 1698 O ARG C 6 2.987 9.921 -1.825 1.00 0.00 O ATOM 1699 CB ARG C 6 5.041 7.742 -3.410 1.00 0.00 C ATOM 1700 CG ARG C 6 6.371 6.994 -3.312 1.00 0.00 C ATOM 1701 CD ARG C 6 6.585 6.171 -4.577 1.00 0.00 C ATOM 1702 NE ARG C 6 7.049 7.038 -5.671 1.00 0.00 N ATOM 1703 CZ ARG C 6 7.424 6.619 -6.884 1.00 0.00 C ATOM 1704 NH1 ARG C 6 7.407 5.331 -7.201 1.00 0.00 N ATOM 1705 NH2 ARG C 6 7.822 7.497 -7.798 1.00 0.00 N ATOM 0 H ARG C 6 4.463 8.559 -0.696 1.00 0.00 H new ATOM 0 HA ARG C 6 5.863 9.686 -3.024 1.00 0.00 H new ATOM 0 HB2 ARG C 6 4.240 7.108 -3.029 1.00 0.00 H new ATOM 0 HB3 ARG C 6 4.816 7.945 -4.457 1.00 0.00 H new ATOM 0 HG2 ARG C 6 7.190 7.702 -3.183 1.00 0.00 H new ATOM 0 HG3 ARG C 6 6.371 6.343 -2.438 1.00 0.00 H new ATOM 0 HD2 ARG C 6 7.317 5.385 -4.390 1.00 0.00 H new ATOM 0 HD3 ARG C 6 5.655 5.679 -4.862 1.00 0.00 H new ATOM 0 HE ARG C 6 7.088 8.041 -5.489 1.00 0.00 H new ATOM 0 HH11 ARG C 6 7.104 4.641 -6.514 1.00 0.00 H new ATOM 0 HH12 ARG C 6 7.697 5.031 -8.132 1.00 0.00 H new ATOM 0 HH21 ARG C 6 7.842 8.492 -7.575 1.00 0.00 H new ATOM 0 HH22 ARG C 6 8.108 7.176 -8.723 1.00 0.00 H new ATOM 1719 N LYS C 7 3.438 10.258 -3.999 1.00 0.00 N ATOM 1720 CA LYS C 7 2.259 11.084 -4.232 1.00 0.00 C ATOM 1721 C LYS C 7 1.253 10.406 -5.146 1.00 0.00 C ATOM 1722 O LYS C 7 1.540 9.358 -5.719 1.00 0.00 O ATOM 1723 CB LYS C 7 2.668 12.463 -4.750 1.00 0.00 C ATOM 1724 CG LYS C 7 3.171 12.463 -6.194 1.00 0.00 C ATOM 1725 CD LYS C 7 3.335 13.902 -6.696 1.00 0.00 C ATOM 1726 CE LYS C 7 4.141 14.742 -5.706 1.00 0.00 C ATOM 1727 NZ LYS C 7 4.300 16.127 -6.182 1.00 0.00 N ATOM 0 H LYS C 7 3.999 10.080 -4.832 1.00 0.00 H new ATOM 0 HA LYS C 7 1.753 11.220 -3.276 1.00 0.00 H new ATOM 0 HB2 LYS C 7 1.814 13.136 -4.674 1.00 0.00 H new ATOM 0 HB3 LYS C 7 3.449 12.865 -4.104 1.00 0.00 H new ATOM 0 HG2 LYS C 7 4.124 11.938 -6.255 1.00 0.00 H new ATOM 0 HG3 LYS C 7 2.469 11.925 -6.832 1.00 0.00 H new ATOM 0 HD2 LYS C 7 3.834 13.898 -7.665 1.00 0.00 H new ATOM 0 HD3 LYS C 7 2.354 14.352 -6.845 1.00 0.00 H new ATOM 0 HE2 LYS C 7 3.642 14.744 -4.737 1.00 0.00 H new ATOM 0 HE3 LYS C 7 5.122 14.291 -5.558 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 4.851 16.671 -5.488 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 4.798 16.125 -7.095 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 3.363 16.564 -6.299 1.00 0.00 H new ATOM 1741 N VAL C 8 0.067 11.005 -5.285 1.00 0.00 N ATOM 1742 CA VAL C 8 -0.979 10.390 -6.082 1.00 0.00 C ATOM 1743 C VAL C 8 -0.514 10.167 -7.515 1.00 0.00 C ATOM 1744 O VAL C 8 -0.031 11.084 -8.180 1.00 0.00 O ATOM 1745 CB VAL C 8 -2.289 11.172 -5.988 1.00 0.00 C ATOM 1746 CG1 VAL C 8 -2.692 11.271 -4.517 1.00 0.00 C ATOM 1747 CG2 VAL C 8 -2.237 12.587 -6.553 1.00 0.00 C ATOM 0 H VAL C 8 -0.183 11.899 -4.862 1.00 0.00 H new ATOM 0 HA VAL C 8 -1.190 9.404 -5.669 1.00 0.00 H new ATOM 0 HB VAL C 8 -3.007 10.621 -6.595 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -3.626 11.827 -4.432 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -2.827 10.269 -4.109 1.00 0.00 H new ATOM 0 HG13 VAL C 8 -1.911 11.787 -3.960 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -3.213 13.060 -6.440 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -1.488 13.167 -6.013 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -1.973 12.547 -7.610 1.00 0.00 H new ATOM 1757 N GLY C 9 -0.672 8.926 -7.973 1.00 0.00 N ATOM 1758 CA GLY C 9 -0.282 8.499 -9.309 1.00 0.00 C ATOM 1759 C GLY C 9 1.030 7.714 -9.304 1.00 0.00 C ATOM 1760 O GLY C 9 1.357 7.073 -10.300 1.00 0.00 O ATOM 0 H GLY C 9 -1.082 8.178 -7.413 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -1.072 7.881 -9.736 1.00 0.00 H new ATOM 0 HA3 GLY C 9 -0.178 9.373 -9.952 1.00 0.00 H new ATOM 1764 N GLU C 10 1.785 7.755 -8.199 1.00 0.00 N ATOM 1765 CA GLU C 10 3.044 7.026 -8.082 1.00 0.00 C ATOM 1766 C GLU C 10 2.792 5.578 -7.650 1.00 0.00 C ATOM 1767 O GLU C 10 1.649 5.195 -7.389 1.00 0.00 O ATOM 1768 CB GLU C 10 3.972 7.738 -7.095 1.00 0.00 C ATOM 1769 CG GLU C 10 4.243 9.192 -7.506 1.00 0.00 C ATOM 1770 CD GLU C 10 5.574 9.693 -6.953 1.00 0.00 C ATOM 1771 OE1 GLU C 10 5.670 9.844 -5.715 1.00 0.00 O ATOM 1772 OE2 GLU C 10 6.493 9.921 -7.772 1.00 0.00 O ATOM 0 H GLU C 10 1.538 8.293 -7.368 1.00 0.00 H new ATOM 0 HA GLU C 10 3.529 7.004 -9.058 1.00 0.00 H new ATOM 0 HB2 GLU C 10 3.526 7.720 -6.101 1.00 0.00 H new ATOM 0 HB3 GLU C 10 4.916 7.197 -7.031 1.00 0.00 H new ATOM 0 HG2 GLU C 10 4.248 9.268 -8.593 1.00 0.00 H new ATOM 0 HG3 GLU C 10 3.435 9.829 -7.145 1.00 0.00 H new ATOM 1779 N SER C 11 3.851 4.755 -7.570 1.00 0.00 N ATOM 1780 CA SER C 11 3.720 3.332 -7.262 1.00 0.00 C ATOM 1781 C SER C 11 4.834 2.824 -6.344 1.00 0.00 C ATOM 1782 O SER C 11 5.819 3.517 -6.100 1.00 0.00 O ATOM 1783 CB SER C 11 3.733 2.527 -8.563 1.00 0.00 C ATOM 1784 OG SER C 11 2.639 2.886 -9.382 1.00 0.00 O ATOM 0 H SER C 11 4.813 5.060 -7.717 1.00 0.00 H new ATOM 0 HA SER C 11 2.775 3.200 -6.735 1.00 0.00 H new ATOM 0 HB2 SER C 11 4.667 2.704 -9.097 1.00 0.00 H new ATOM 0 HB3 SER C 11 3.691 1.461 -8.338 1.00 0.00 H new ATOM 0 HG SER C 11 2.665 2.362 -10.210 1.00 0.00 H new ATOM 1790 N ILE C 12 4.668 1.598 -5.838 1.00 0.00 N ATOM 1791 CA ILE C 12 5.585 0.946 -4.905 1.00 0.00 C ATOM 1792 C ILE C 12 5.598 -0.548 -5.220 1.00 0.00 C ATOM 1793 O ILE C 12 4.713 -1.025 -5.926 1.00 0.00 O ATOM 1794 CB ILE C 12 5.141 1.252 -3.463 1.00 0.00 C ATOM 1795 CG1 ILE C 12 5.316 2.762 -3.231 1.00 0.00 C ATOM 1796 CG2 ILE C 12 5.939 0.450 -2.423 1.00 0.00 C ATOM 1797 CD1 ILE C 12 4.993 3.193 -1.803 1.00 0.00 C ATOM 0 H ILE C 12 3.865 1.016 -6.076 1.00 0.00 H new ATOM 0 HA ILE C 12 6.603 1.321 -5.008 1.00 0.00 H new ATOM 0 HB ILE C 12 4.099 0.957 -3.340 1.00 0.00 H new ATOM 0 HG12 ILE C 12 6.343 3.042 -3.464 1.00 0.00 H new ATOM 0 HG13 ILE C 12 4.672 3.306 -3.922 1.00 0.00 H new ATOM 0 HG21 ILE C 12 5.588 0.702 -1.422 1.00 0.00 H new ATOM 0 HG22 ILE C 12 5.798 -0.616 -2.600 1.00 0.00 H new ATOM 0 HG23 ILE C 12 6.998 0.695 -2.509 1.00 0.00 H new ATOM 0 HD11 ILE C 12 5.137 4.269 -1.706 1.00 0.00 H new ATOM 0 HD12 ILE C 12 3.957 2.943 -1.573 1.00 0.00 H new ATOM 0 HD13 ILE C 12 5.654 2.675 -1.108 1.00 0.00 H new ATOM 1809 N ASN C 13 6.581 -1.302 -4.723 1.00 0.00 N ATOM 1810 CA ASN C 13 6.738 -2.701 -5.107 1.00 0.00 C ATOM 1811 C ASN C 13 6.963 -3.629 -3.913 1.00 0.00 C ATOM 1812 O ASN C 13 7.472 -3.211 -2.874 1.00 0.00 O ATOM 1813 CB ASN C 13 7.907 -2.823 -6.086 1.00 0.00 C ATOM 1814 CG ASN C 13 7.699 -1.983 -7.336 1.00 0.00 C ATOM 1815 OD1 ASN C 13 8.237 -0.884 -7.453 1.00 0.00 O ATOM 1816 ND2 ASN C 13 6.917 -2.489 -8.285 1.00 0.00 N ATOM 0 H ASN C 13 7.276 -0.966 -4.056 1.00 0.00 H new ATOM 0 HA ASN C 13 5.806 -3.016 -5.576 1.00 0.00 H new ATOM 0 HB2 ASN C 13 8.827 -2.513 -5.591 1.00 0.00 H new ATOM 0 HB3 ASN C 13 8.034 -3.868 -6.369 1.00 0.00 H new ATOM 0 HD21 ASN C 13 6.749 -1.962 -9.142 1.00 0.00 H new ATOM 0 HD22 ASN C 13 6.486 -3.404 -8.156 1.00 0.00 H new ATOM 1823 N ILE C 14 6.570 -4.898 -4.088 1.00 0.00 N ATOM 1824 CA ILE C 14 6.699 -5.942 -3.079 1.00 0.00 C ATOM 1825 C ILE C 14 7.032 -7.268 -3.767 1.00 0.00 C ATOM 1826 O ILE C 14 6.437 -7.608 -4.790 1.00 0.00 O ATOM 1827 CB ILE C 14 5.379 -6.094 -2.298 1.00 0.00 C ATOM 1828 CG1 ILE C 14 4.980 -4.759 -1.645 1.00 0.00 C ATOM 1829 CG2 ILE C 14 5.494 -7.212 -1.257 1.00 0.00 C ATOM 1830 CD1 ILE C 14 3.667 -4.869 -0.870 1.00 0.00 C ATOM 0 H ILE C 14 6.146 -5.228 -4.955 1.00 0.00 H new ATOM 0 HA ILE C 14 7.494 -5.670 -2.385 1.00 0.00 H new ATOM 0 HB ILE C 14 4.591 -6.371 -2.998 1.00 0.00 H new ATOM 0 HG12 ILE C 14 5.773 -4.434 -0.971 1.00 0.00 H new ATOM 0 HG13 ILE C 14 4.883 -3.994 -2.415 1.00 0.00 H new ATOM 0 HG21 ILE C 14 4.552 -7.304 -0.716 1.00 0.00 H new ATOM 0 HG22 ILE C 14 5.718 -8.154 -1.758 1.00 0.00 H new ATOM 0 HG23 ILE C 14 6.294 -6.975 -0.555 1.00 0.00 H new ATOM 0 HD11 ILE C 14 3.425 -3.903 -0.426 1.00 0.00 H new ATOM 0 HD12 ILE C 14 2.868 -5.167 -1.549 1.00 0.00 H new ATOM 0 HD13 ILE C 14 3.771 -5.615 -0.082 1.00 0.00 H new ATOM 1842 N GLY C 15 7.985 -8.013 -3.197 1.00 0.00 N ATOM 1843 CA GLY C 15 8.405 -9.297 -3.735 1.00 0.00 C ATOM 1844 C GLY C 15 8.780 -9.174 -5.209 1.00 0.00 C ATOM 1845 O GLY C 15 9.331 -8.155 -5.635 1.00 0.00 O ATOM 0 H GLY C 15 8.482 -7.737 -2.350 1.00 0.00 H new ATOM 0 HA2 GLY C 15 9.258 -9.672 -3.169 1.00 0.00 H new ATOM 0 HA3 GLY C 15 7.601 -10.024 -3.620 1.00 0.00 H new ATOM 1849 N ASP C 16 8.482 -10.217 -5.984 1.00 0.00 N ATOM 1850 CA ASP C 16 8.723 -10.244 -7.419 1.00 0.00 C ATOM 1851 C ASP C 16 7.433 -10.556 -8.178 1.00 0.00 C ATOM 1852 O ASP C 16 7.471 -10.903 -9.359 1.00 0.00 O ATOM 1853 CB ASP C 16 9.859 -11.220 -7.750 1.00 0.00 C ATOM 1854 CG ASP C 16 9.515 -12.667 -7.409 1.00 0.00 C ATOM 1855 OD1 ASP C 16 9.381 -12.968 -6.199 1.00 0.00 O ATOM 1856 OD2 ASP C 16 9.386 -13.467 -8.363 1.00 0.00 O ATOM 0 H ASP C 16 8.062 -11.074 -5.625 1.00 0.00 H new ATOM 0 HA ASP C 16 9.046 -9.256 -7.748 1.00 0.00 H new ATOM 0 HB2 ASP C 16 10.095 -11.148 -8.812 1.00 0.00 H new ATOM 0 HB3 ASP C 16 10.755 -10.926 -7.203 1.00 0.00 H new ATOM 1861 N ASP C 17 6.281 -10.435 -7.504 1.00 0.00 N ATOM 1862 CA ASP C 17 4.977 -10.718 -8.084 1.00 0.00 C ATOM 1863 C ASP C 17 3.933 -9.665 -7.707 1.00 0.00 C ATOM 1864 O ASP C 17 2.776 -9.799 -8.100 1.00 0.00 O ATOM 1865 CB ASP C 17 4.490 -12.097 -7.630 1.00 0.00 C ATOM 1866 CG ASP C 17 5.410 -13.219 -8.098 1.00 0.00 C ATOM 1867 OD1 ASP C 17 5.413 -13.492 -9.320 1.00 0.00 O ATOM 1868 OD2 ASP C 17 6.104 -13.798 -7.231 1.00 0.00 O ATOM 0 H ASP C 17 6.237 -10.134 -6.530 1.00 0.00 H new ATOM 0 HA ASP C 17 5.097 -10.698 -9.167 1.00 0.00 H new ATOM 0 HB2 ASP C 17 4.422 -12.116 -6.542 1.00 0.00 H new ATOM 0 HB3 ASP C 17 3.485 -12.270 -8.015 1.00 0.00 H new ATOM 1873 N ILE C 18 4.297 -8.618 -6.950 1.00 0.00 N ATOM 1874 CA ILE C 18 3.318 -7.636 -6.508 1.00 0.00 C ATOM 1875 C ILE C 18 3.810 -6.209 -6.737 1.00 0.00 C ATOM 1876 O ILE C 18 5.005 -5.923 -6.673 1.00 0.00 O ATOM 1877 CB ILE C 18 2.963 -7.855 -5.031 1.00 0.00 C ATOM 1878 CG1 ILE C 18 2.473 -9.283 -4.754 1.00 0.00 C ATOM 1879 CG2 ILE C 18 1.872 -6.871 -4.595 1.00 0.00 C ATOM 1880 CD1 ILE C 18 3.620 -10.162 -4.263 1.00 0.00 C ATOM 0 H ILE C 18 5.252 -8.438 -6.639 1.00 0.00 H new ATOM 0 HA ILE C 18 2.418 -7.774 -7.107 1.00 0.00 H new ATOM 0 HB ILE C 18 3.878 -7.689 -4.462 1.00 0.00 H new ATOM 0 HG12 ILE C 18 1.679 -9.262 -4.007 1.00 0.00 H new ATOM 0 HG13 ILE C 18 2.045 -9.708 -5.662 1.00 0.00 H new ATOM 0 HG21 ILE C 18 1.630 -7.038 -3.545 1.00 0.00 H new ATOM 0 HG22 ILE C 18 2.229 -5.850 -4.727 1.00 0.00 H new ATOM 0 HG23 ILE C 18 0.980 -7.025 -5.202 1.00 0.00 H new ATOM 0 HD11 ILE C 18 3.250 -11.170 -4.073 1.00 0.00 H new ATOM 0 HD12 ILE C 18 4.401 -10.199 -5.023 1.00 0.00 H new ATOM 0 HD13 ILE C 18 4.029 -9.746 -3.342 1.00 0.00 H new ATOM 1892 N THR C 19 2.856 -5.312 -7.002 1.00 0.00 N ATOM 1893 CA THR C 19 3.079 -3.884 -7.137 1.00 0.00 C ATOM 1894 C THR C 19 1.895 -3.171 -6.485 1.00 0.00 C ATOM 1895 O THR C 19 0.815 -3.746 -6.366 1.00 0.00 O ATOM 1896 CB THR C 19 3.237 -3.526 -8.620 1.00 0.00 C ATOM 1897 OG1 THR C 19 4.400 -4.137 -9.128 1.00 0.00 O ATOM 1898 CG2 THR C 19 3.364 -2.022 -8.854 1.00 0.00 C ATOM 0 H THR C 19 1.879 -5.576 -7.131 1.00 0.00 H new ATOM 0 HA THR C 19 3.996 -3.569 -6.640 1.00 0.00 H new ATOM 0 HB THR C 19 2.338 -3.880 -9.125 1.00 0.00 H new ATOM 0 HG1 THR C 19 4.501 -3.910 -10.076 1.00 0.00 H new ATOM 0 HG21 THR C 19 3.473 -1.828 -9.921 1.00 0.00 H new ATOM 0 HG22 THR C 19 2.471 -1.519 -8.483 1.00 0.00 H new ATOM 0 HG23 THR C 19 4.239 -1.644 -8.325 1.00 0.00 H new ATOM 1906 N ILE C 20 2.105 -1.923 -6.070 1.00 0.00 N ATOM 1907 CA ILE C 20 1.129 -1.129 -5.333 1.00 0.00 C ATOM 1908 C ILE C 20 1.067 0.253 -5.969 1.00 0.00 C ATOM 1909 O ILE C 20 2.065 0.727 -6.512 1.00 0.00 O ATOM 1910 CB ILE C 20 1.561 -1.023 -3.862 1.00 0.00 C ATOM 1911 CG1 ILE C 20 1.723 -2.400 -3.205 1.00 0.00 C ATOM 1912 CG2 ILE C 20 0.565 -0.177 -3.061 1.00 0.00 C ATOM 1913 CD1 ILE C 20 0.401 -3.157 -3.078 1.00 0.00 C ATOM 0 H ILE C 20 2.979 -1.426 -6.242 1.00 0.00 H new ATOM 0 HA ILE C 20 0.145 -1.596 -5.370 1.00 0.00 H new ATOM 0 HB ILE C 20 2.535 -0.534 -3.854 1.00 0.00 H new ATOM 0 HG12 ILE C 20 2.423 -2.996 -3.791 1.00 0.00 H new ATOM 0 HG13 ILE C 20 2.161 -2.275 -2.215 1.00 0.00 H new ATOM 0 HG21 ILE C 20 0.892 -0.116 -2.023 1.00 0.00 H new ATOM 0 HG22 ILE C 20 0.516 0.826 -3.485 1.00 0.00 H new ATOM 0 HG23 ILE C 20 -0.422 -0.638 -3.104 1.00 0.00 H new ATOM 0 HD11 ILE C 20 0.579 -4.123 -2.606 1.00 0.00 H new ATOM 0 HD12 ILE C 20 -0.293 -2.578 -2.468 1.00 0.00 H new ATOM 0 HD13 ILE C 20 -0.027 -3.310 -4.069 1.00 0.00 H new ATOM 1925 N THR C 21 -0.093 0.906 -5.909 1.00 0.00 N ATOM 1926 CA THR C 21 -0.271 2.218 -6.518 1.00 0.00 C ATOM 1927 C THR C 21 -1.169 3.077 -5.640 1.00 0.00 C ATOM 1928 O THR C 21 -2.074 2.569 -4.980 1.00 0.00 O ATOM 1929 CB THR C 21 -0.887 2.051 -7.912 1.00 0.00 C ATOM 1930 OG1 THR C 21 -0.161 1.091 -8.651 1.00 0.00 O ATOM 1931 CG2 THR C 21 -0.873 3.356 -8.704 1.00 0.00 C ATOM 0 H THR C 21 -0.925 0.544 -5.442 1.00 0.00 H new ATOM 0 HA THR C 21 0.696 2.712 -6.613 1.00 0.00 H new ATOM 0 HB THR C 21 -1.919 1.734 -7.764 1.00 0.00 H new ATOM 0 HG1 THR C 21 -0.562 0.990 -9.539 1.00 0.00 H new ATOM 0 HG21 THR C 21 -1.319 3.191 -9.685 1.00 0.00 H new ATOM 0 HG22 THR C 21 -1.445 4.113 -8.168 1.00 0.00 H new ATOM 0 HG23 THR C 21 0.155 3.697 -8.825 1.00 0.00 H new ATOM 1939 N ILE C 22 -0.916 4.387 -5.633 1.00 0.00 N ATOM 1940 CA ILE C 22 -1.681 5.366 -4.876 1.00 0.00 C ATOM 1941 C ILE C 22 -2.524 6.160 -5.878 1.00 0.00 C ATOM 1942 O ILE C 22 -2.114 7.213 -6.356 1.00 0.00 O ATOM 1943 CB ILE C 22 -0.722 6.210 -4.009 1.00 0.00 C ATOM 1944 CG1 ILE C 22 -1.355 7.475 -3.425 1.00 0.00 C ATOM 1945 CG2 ILE C 22 0.522 6.640 -4.784 1.00 0.00 C ATOM 1946 CD1 ILE C 22 -2.623 7.163 -2.643 1.00 0.00 C ATOM 0 H ILE C 22 -0.153 4.802 -6.169 1.00 0.00 H new ATOM 0 HA ILE C 22 -2.372 4.912 -4.166 1.00 0.00 H new ATOM 0 HB ILE C 22 -0.459 5.541 -3.190 1.00 0.00 H new ATOM 0 HG12 ILE C 22 -0.638 7.972 -2.772 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -1.587 8.171 -4.231 1.00 0.00 H new ATOM 0 HG21 ILE C 22 1.168 7.231 -4.135 1.00 0.00 H new ATOM 0 HG22 ILE C 22 1.061 5.757 -5.126 1.00 0.00 H new ATOM 0 HG23 ILE C 22 0.225 7.239 -5.645 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -3.042 8.087 -2.245 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -3.350 6.690 -3.303 1.00 0.00 H new ATOM 0 HD13 ILE C 22 -2.386 6.488 -1.821 1.00 0.00 H new ATOM 1958 N LEU C 23 -3.713 5.644 -6.206 1.00 0.00 N ATOM 1959 CA LEU C 23 -4.511 6.196 -7.291 1.00 0.00 C ATOM 1960 C LEU C 23 -4.969 7.624 -6.986 1.00 0.00 C ATOM 1961 O LEU C 23 -5.249 8.384 -7.912 1.00 0.00 O ATOM 1962 CB LEU C 23 -5.735 5.315 -7.603 1.00 0.00 C ATOM 1963 CG LEU C 23 -5.557 3.826 -7.299 1.00 0.00 C ATOM 1964 CD1 LEU C 23 -6.875 3.104 -7.566 1.00 0.00 C ATOM 1965 CD2 LEU C 23 -4.475 3.200 -8.172 1.00 0.00 C ATOM 0 H LEU C 23 -4.138 4.846 -5.733 1.00 0.00 H new ATOM 0 HA LEU C 23 -3.865 6.218 -8.169 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -6.586 5.687 -7.033 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -5.985 5.427 -8.658 1.00 0.00 H new ATOM 0 HG LEU C 23 -5.259 3.727 -6.255 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -6.758 2.042 -7.352 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -7.654 3.519 -6.926 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -7.156 3.235 -8.611 1.00 0.00 H new ATOM 0 HD21 LEU C 23 -4.377 2.142 -7.928 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -4.748 3.306 -9.222 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -3.525 3.703 -7.991 1.00 0.00 H new ATOM 1977 N GLY C 24 -5.049 7.996 -5.701 1.00 0.00 N ATOM 1978 CA GLY C 24 -5.393 9.360 -5.319 1.00 0.00 C ATOM 1979 C GLY C 24 -5.893 9.448 -3.884 1.00 0.00 C ATOM 1980 O GLY C 24 -5.788 8.483 -3.127 1.00 0.00 O ATOM 0 H GLY C 24 -4.879 7.368 -4.915 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -4.518 10.000 -5.437 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -6.160 9.741 -5.993 1.00 0.00 H new ATOM 1984 N VAL C 25 -6.437 10.609 -3.504 1.00 0.00 N ATOM 1985 CA VAL C 25 -7.039 10.799 -2.186 1.00 0.00 C ATOM 1986 C VAL C 25 -8.416 11.444 -2.327 1.00 0.00 C ATOM 1987 O VAL C 25 -8.791 11.884 -3.411 1.00 0.00 O ATOM 1988 CB VAL C 25 -6.133 11.602 -1.244 1.00 0.00 C ATOM 1989 CG1 VAL C 25 -4.676 11.142 -1.331 1.00 0.00 C ATOM 1990 CG2 VAL C 25 -6.221 13.104 -1.510 1.00 0.00 C ATOM 0 H VAL C 25 -6.471 11.437 -4.099 1.00 0.00 H new ATOM 0 HA VAL C 25 -7.160 9.817 -1.729 1.00 0.00 H new ATOM 0 HB VAL C 25 -6.496 11.412 -0.234 1.00 0.00 H new ATOM 0 HG11 VAL C 25 -4.066 11.735 -0.649 1.00 0.00 H new ATOM 0 HG12 VAL C 25 -4.610 10.089 -1.056 1.00 0.00 H new ATOM 0 HG13 VAL C 25 -4.313 11.274 -2.350 1.00 0.00 H new ATOM 0 HG21 VAL C 25 -5.564 13.635 -0.821 1.00 0.00 H new ATOM 0 HG22 VAL C 25 -5.914 13.310 -2.535 1.00 0.00 H new ATOM 0 HG23 VAL C 25 -7.248 13.440 -1.364 1.00 0.00 H new ATOM 2000 N SER C 26 -9.168 11.497 -1.222 1.00 0.00 N ATOM 2001 CA SER C 26 -10.539 11.987 -1.209 1.00 0.00 C ATOM 2002 C SER C 26 -10.823 12.759 0.075 1.00 0.00 C ATOM 2003 O SER C 26 -11.821 12.507 0.750 1.00 0.00 O ATOM 2004 CB SER C 26 -11.506 10.813 -1.351 1.00 0.00 C ATOM 2005 OG SER C 26 -11.355 10.185 -2.605 1.00 0.00 O ATOM 0 H SER C 26 -8.833 11.197 -0.306 1.00 0.00 H new ATOM 0 HA SER C 26 -10.678 12.667 -2.049 1.00 0.00 H new ATOM 0 HB2 SER C 26 -11.327 10.091 -0.554 1.00 0.00 H new ATOM 0 HB3 SER C 26 -12.531 11.165 -1.237 1.00 0.00 H new ATOM 0 HG SER C 26 -11.983 9.435 -2.673 1.00 0.00 H new ATOM 2011 N GLY C 27 -9.942 13.701 0.412 1.00 0.00 N ATOM 2012 CA GLY C 27 -10.032 14.464 1.644 1.00 0.00 C ATOM 2013 C GLY C 27 -8.963 13.944 2.597 1.00 0.00 C ATOM 2014 O GLY C 27 -7.788 14.272 2.445 1.00 0.00 O ATOM 0 H GLY C 27 -9.143 13.953 -0.170 1.00 0.00 H new ATOM 0 HA2 GLY C 27 -9.883 15.526 1.447 1.00 0.00 H new ATOM 0 HA3 GLY C 27 -11.022 14.358 2.087 1.00 0.00 H new ATOM 2018 N GLN C 28 -9.362 13.128 3.579 1.00 0.00 N ATOM 2019 CA GLN C 28 -8.416 12.453 4.453 1.00 0.00 C ATOM 2020 C GLN C 28 -8.517 10.943 4.245 1.00 0.00 C ATOM 2021 O GLN C 28 -7.808 10.163 4.885 1.00 0.00 O ATOM 2022 CB GLN C 28 -8.603 12.879 5.909 1.00 0.00 C ATOM 2023 CG GLN C 28 -7.238 13.110 6.555 1.00 0.00 C ATOM 2024 CD GLN C 28 -6.580 14.387 6.029 1.00 0.00 C ATOM 2025 OE1 GLN C 28 -5.770 14.282 4.978 1.00 0.00 O flip ATOM 2026 NE2 GLN C 28 -6.804 15.466 6.569 1.00 0.00 N flip ATOM 0 H GLN C 28 -10.340 12.923 3.783 1.00 0.00 H new ATOM 0 HA GLN C 28 -7.400 12.750 4.192 1.00 0.00 H new ATOM 0 HB2 GLN C 28 -9.199 13.791 5.958 1.00 0.00 H new ATOM 0 HB3 GLN C 28 -9.150 12.111 6.456 1.00 0.00 H new ATOM 0 HG2 GLN C 28 -7.353 13.177 7.637 1.00 0.00 H new ATOM 0 HG3 GLN C 28 -6.590 12.256 6.355 1.00 0.00 H new ATOM 0 HE21 GLN C 28 -7.430 15.514 7.373 1.00 0.00 H new ATOM 0 HE22 GLN C 28 -6.364 16.315 6.214 1.00 0.00 H new ATOM 2035 N GLN C 29 -9.411 10.536 3.336 1.00 0.00 N ATOM 2036 CA GLN C 29 -9.423 9.181 2.826 1.00 0.00 C ATOM 2037 C GLN C 29 -8.369 9.091 1.728 1.00 0.00 C ATOM 2038 O GLN C 29 -7.917 10.110 1.208 1.00 0.00 O ATOM 2039 CB GLN C 29 -10.786 8.800 2.250 1.00 0.00 C ATOM 2040 CG GLN C 29 -11.801 8.532 3.357 1.00 0.00 C ATOM 2041 CD GLN C 29 -12.874 7.552 2.896 1.00 0.00 C ATOM 2042 OE1 GLN C 29 -12.679 6.342 2.947 1.00 0.00 O ATOM 2043 NE2 GLN C 29 -14.017 8.064 2.437 1.00 0.00 N ATOM 0 H GLN C 29 -10.135 11.138 2.943 1.00 0.00 H new ATOM 0 HA GLN C 29 -9.212 8.492 3.644 1.00 0.00 H new ATOM 0 HB2 GLN C 29 -11.149 9.602 1.608 1.00 0.00 H new ATOM 0 HB3 GLN C 29 -10.684 7.913 1.625 1.00 0.00 H new ATOM 0 HG2 GLN C 29 -11.291 8.131 4.233 1.00 0.00 H new ATOM 0 HG3 GLN C 29 -12.267 9.469 3.661 1.00 0.00 H new ATOM 0 HE21 GLN C 29 -14.147 9.075 2.408 1.00 0.00 H new ATOM 0 HE22 GLN C 29 -14.761 7.444 2.115 1.00 0.00 H new ATOM 2052 N VAL C 30 -7.977 7.872 1.374 1.00 0.00 N ATOM 2053 CA VAL C 30 -6.952 7.615 0.378 1.00 0.00 C ATOM 2054 C VAL C 30 -7.406 6.426 -0.463 1.00 0.00 C ATOM 2055 O VAL C 30 -8.092 5.535 0.034 1.00 0.00 O ATOM 2056 CB VAL C 30 -5.620 7.333 1.081 1.00 0.00 C ATOM 2057 CG1 VAL C 30 -4.511 7.049 0.072 1.00 0.00 C ATOM 2058 CG2 VAL C 30 -5.187 8.542 1.910 1.00 0.00 C ATOM 0 H VAL C 30 -8.371 7.023 1.780 1.00 0.00 H new ATOM 0 HA VAL C 30 -6.805 8.477 -0.272 1.00 0.00 H new ATOM 0 HB VAL C 30 -5.775 6.463 1.718 1.00 0.00 H new ATOM 0 HG11 VAL C 30 -3.579 6.853 0.602 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -4.778 6.178 -0.527 1.00 0.00 H new ATOM 0 HG13 VAL C 30 -4.383 7.913 -0.580 1.00 0.00 H new ATOM 0 HG21 VAL C 30 -4.239 8.325 2.403 1.00 0.00 H new ATOM 0 HG22 VAL C 30 -5.067 9.407 1.257 1.00 0.00 H new ATOM 0 HG23 VAL C 30 -5.946 8.758 2.662 1.00 0.00 H new ATOM 2068 N ARG C 31 -7.020 6.419 -1.740 1.00 0.00 N ATOM 2069 CA ARG C 31 -7.429 5.390 -2.685 1.00 0.00 C ATOM 2070 C ARG C 31 -6.184 4.704 -3.215 1.00 0.00 C ATOM 2071 O ARG C 31 -5.301 5.351 -3.775 1.00 0.00 O ATOM 2072 CB ARG C 31 -8.249 6.022 -3.803 1.00 0.00 C ATOM 2073 CG ARG C 31 -9.022 4.951 -4.565 1.00 0.00 C ATOM 2074 CD ARG C 31 -9.828 5.646 -5.657 1.00 0.00 C ATOM 2075 NE ARG C 31 -10.850 4.758 -6.219 1.00 0.00 N ATOM 2076 CZ ARG C 31 -11.253 4.790 -7.493 1.00 0.00 C ATOM 2077 NH1 ARG C 31 -10.691 5.609 -8.376 1.00 0.00 N ATOM 2078 NH2 ARG C 31 -12.234 3.993 -7.904 1.00 0.00 N ATOM 0 H ARG C 31 -6.413 7.131 -2.145 1.00 0.00 H new ATOM 0 HA ARG C 31 -8.058 4.643 -2.201 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -8.942 6.753 -3.386 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -7.591 6.560 -4.486 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -8.338 4.223 -5.000 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -9.683 4.405 -3.892 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -10.304 6.537 -5.248 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -9.158 5.978 -6.450 1.00 0.00 H new ATOM 0 HE ARG C 31 -11.281 4.072 -5.599 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -9.936 6.230 -8.087 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -11.015 5.616 -9.343 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -12.682 3.354 -7.247 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -12.539 4.020 -8.877 1.00 0.00 H new ATOM 2092 N ILE C 32 -6.138 3.388 -3.029 1.00 0.00 N ATOM 2093 CA ILE C 32 -4.941 2.601 -3.254 1.00 0.00 C ATOM 2094 C ILE C 32 -5.296 1.378 -4.088 1.00 0.00 C ATOM 2095 O ILE C 32 -6.352 0.776 -3.897 1.00 0.00 O ATOM 2096 CB ILE C 32 -4.360 2.177 -1.895 1.00 0.00 C ATOM 2097 CG1 ILE C 32 -4.106 3.411 -1.015 1.00 0.00 C ATOM 2098 CG2 ILE C 32 -3.058 1.389 -2.085 1.00 0.00 C ATOM 2099 CD1 ILE C 32 -3.618 3.039 0.386 1.00 0.00 C ATOM 0 H ILE C 32 -6.938 2.839 -2.716 1.00 0.00 H new ATOM 0 HA ILE C 32 -4.196 3.188 -3.791 1.00 0.00 H new ATOM 0 HB ILE C 32 -5.086 1.533 -1.399 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -3.366 4.051 -1.496 1.00 0.00 H new ATOM 0 HG13 ILE C 32 -5.025 3.991 -0.934 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -2.663 1.098 -1.111 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -3.256 0.496 -2.677 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -2.328 2.012 -2.601 1.00 0.00 H new ATOM 0 HD11 ILE C 32 -3.454 3.947 0.967 1.00 0.00 H new ATOM 0 HD12 ILE C 32 -4.368 2.422 0.881 1.00 0.00 H new ATOM 0 HD13 ILE C 32 -2.684 2.483 0.310 1.00 0.00 H new ATOM 2111 N GLY C 33 -4.407 1.017 -5.012 1.00 0.00 N ATOM 2112 CA GLY C 33 -4.597 -0.129 -5.872 1.00 0.00 C ATOM 2113 C GLY C 33 -3.477 -1.131 -5.648 1.00 0.00 C ATOM 2114 O GLY C 33 -2.412 -0.785 -5.137 1.00 0.00 O ATOM 0 H GLY C 33 -3.535 1.519 -5.179 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -5.561 -0.595 -5.665 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -4.612 0.186 -6.915 1.00 0.00 H new ATOM 2118 N ILE C 34 -3.733 -2.375 -6.037 1.00 0.00 N ATOM 2119 CA ILE C 34 -2.810 -3.477 -5.851 1.00 0.00 C ATOM 2120 C ILE C 34 -2.762 -4.254 -7.154 1.00 0.00 C ATOM 2121 O ILE C 34 -3.755 -4.346 -7.877 1.00 0.00 O ATOM 2122 CB ILE C 34 -3.289 -4.351 -4.681 1.00 0.00 C ATOM 2123 CG1 ILE C 34 -3.435 -3.495 -3.414 1.00 0.00 C ATOM 2124 CG2 ILE C 34 -2.303 -5.492 -4.435 1.00 0.00 C ATOM 2125 CD1 ILE C 34 -4.096 -4.261 -2.269 1.00 0.00 C ATOM 0 H ILE C 34 -4.602 -2.645 -6.497 1.00 0.00 H new ATOM 0 HA ILE C 34 -1.808 -3.127 -5.604 1.00 0.00 H new ATOM 0 HB ILE C 34 -4.259 -4.778 -4.934 1.00 0.00 H new ATOM 0 HG12 ILE C 34 -2.451 -3.149 -3.097 1.00 0.00 H new ATOM 0 HG13 ILE C 34 -4.026 -2.608 -3.644 1.00 0.00 H new ATOM 0 HG21 ILE C 34 -2.654 -6.103 -3.604 1.00 0.00 H new ATOM 0 HG22 ILE C 34 -2.228 -6.107 -5.332 1.00 0.00 H new ATOM 0 HG23 ILE C 34 -1.323 -5.080 -4.194 1.00 0.00 H new ATOM 0 HD11 ILE C 34 -4.176 -3.613 -1.396 1.00 0.00 H new ATOM 0 HD12 ILE C 34 -5.091 -4.584 -2.574 1.00 0.00 H new ATOM 0 HD13 ILE C 34 -3.492 -5.133 -2.019 1.00 0.00 H new ATOM 2137 N ASN C 35 -1.592 -4.815 -7.449 1.00 0.00 N ATOM 2138 CA ASN C 35 -1.348 -5.478 -8.712 1.00 0.00 C ATOM 2139 C ASN C 35 -0.567 -6.756 -8.450 1.00 0.00 C ATOM 2140 O ASN C 35 0.665 -6.751 -8.421 1.00 0.00 O ATOM 2141 CB ASN C 35 -0.604 -4.523 -9.642 1.00 0.00 C ATOM 2142 CG ASN C 35 -0.395 -5.114 -11.034 1.00 0.00 C ATOM 2143 OD1 ASN C 35 -0.952 -6.152 -11.375 1.00 0.00 O ATOM 2144 ND2 ASN C 35 0.417 -4.444 -11.845 1.00 0.00 N ATOM 0 H ASN C 35 -0.792 -4.819 -6.816 1.00 0.00 H new ATOM 0 HA ASN C 35 -2.283 -5.751 -9.201 1.00 0.00 H new ATOM 0 HB2 ASN C 35 -1.164 -3.591 -9.726 1.00 0.00 H new ATOM 0 HB3 ASN C 35 0.364 -4.275 -9.206 1.00 0.00 H new ATOM 0 HD21 ASN C 35 0.595 -4.790 -12.788 1.00 0.00 H new ATOM 0 HD22 ASN C 35 0.862 -3.584 -11.525 1.00 0.00 H new ATOM 2151 N ALA C 36 -1.304 -7.849 -8.269 1.00 0.00 N ATOM 2152 CA ALA C 36 -0.739 -9.153 -7.970 1.00 0.00 C ATOM 2153 C ALA C 36 -1.536 -10.234 -8.692 1.00 0.00 C ATOM 2154 O ALA C 36 -2.697 -10.012 -9.039 1.00 0.00 O ATOM 2155 CB ALA C 36 -0.812 -9.389 -6.458 1.00 0.00 C ATOM 0 H ALA C 36 -2.322 -7.849 -8.328 1.00 0.00 H new ATOM 0 HA ALA C 36 0.298 -9.191 -8.303 1.00 0.00 H new ATOM 0 HB1 ALA C 36 -0.390 -10.366 -6.221 1.00 0.00 H new ATOM 0 HB2 ALA C 36 -0.246 -8.614 -5.941 1.00 0.00 H new ATOM 0 HB3 ALA C 36 -1.852 -9.355 -6.134 1.00 0.00 H new ATOM 2161 N PRO C 37 -0.929 -11.402 -8.917 1.00 0.00 N ATOM 2162 CA PRO C 37 -1.632 -12.568 -9.394 1.00 0.00 C ATOM 2163 C PRO C 37 -2.598 -13.045 -8.321 1.00 0.00 C ATOM 2164 O PRO C 37 -2.396 -12.795 -7.137 1.00 0.00 O ATOM 2165 CB PRO C 37 -0.547 -13.615 -9.646 1.00 0.00 C ATOM 2166 CG PRO C 37 0.617 -13.193 -8.751 1.00 0.00 C ATOM 2167 CD PRO C 37 0.482 -11.681 -8.711 1.00 0.00 C ATOM 0 HA PRO C 37 -2.213 -12.371 -10.295 1.00 0.00 H new ATOM 0 HB2 PRO C 37 -0.897 -14.616 -9.394 1.00 0.00 H new ATOM 0 HB3 PRO C 37 -0.252 -13.635 -10.695 1.00 0.00 H new ATOM 0 HG2 PRO C 37 0.542 -13.632 -7.756 1.00 0.00 H new ATOM 0 HG3 PRO C 37 1.577 -13.502 -9.164 1.00 0.00 H new ATOM 0 HD2 PRO C 37 0.823 -11.283 -7.755 1.00 0.00 H new ATOM 0 HD3 PRO C 37 1.090 -11.214 -9.486 1.00 0.00 H new ATOM 2175 N LYS C 38 -3.659 -13.738 -8.733 1.00 0.00 N ATOM 2176 CA LYS C 38 -4.611 -14.330 -7.801 1.00 0.00 C ATOM 2177 C LYS C 38 -3.950 -15.486 -7.059 1.00 0.00 C ATOM 2178 O LYS C 38 -4.555 -16.133 -6.209 1.00 0.00 O ATOM 2179 CB LYS C 38 -5.855 -14.759 -8.568 1.00 0.00 C ATOM 2180 CG LYS C 38 -6.341 -13.545 -9.359 1.00 0.00 C ATOM 2181 CD LYS C 38 -7.491 -13.911 -10.271 1.00 0.00 C ATOM 2182 CE LYS C 38 -8.800 -13.992 -9.488 1.00 0.00 C ATOM 2183 NZ LYS C 38 -9.940 -14.261 -10.383 1.00 0.00 N ATOM 0 H LYS C 38 -3.880 -13.903 -9.715 1.00 0.00 H new ATOM 0 HA LYS C 38 -4.920 -13.604 -7.049 1.00 0.00 H new ATOM 0 HB2 LYS C 38 -5.627 -15.588 -9.238 1.00 0.00 H new ATOM 0 HB3 LYS C 38 -6.628 -15.106 -7.883 1.00 0.00 H new ATOM 0 HG2 LYS C 38 -6.655 -12.761 -8.670 1.00 0.00 H new ATOM 0 HG3 LYS C 38 -5.519 -13.140 -9.950 1.00 0.00 H new ATOM 0 HD2 LYS C 38 -7.582 -13.169 -11.064 1.00 0.00 H new ATOM 0 HD3 LYS C 38 -7.290 -14.868 -10.751 1.00 0.00 H new ATOM 0 HE2 LYS C 38 -8.730 -14.779 -8.737 1.00 0.00 H new ATOM 0 HE3 LYS C 38 -8.966 -13.056 -8.954 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 -10.816 -14.311 -9.824 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 -10.019 -13.496 -11.084 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 -9.790 -15.166 -10.873 1.00 0.00 H new ATOM 2197 N ASP C 39 -2.687 -15.720 -7.415 1.00 0.00 N ATOM 2198 CA ASP C 39 -1.785 -16.642 -6.750 1.00 0.00 C ATOM 2199 C ASP C 39 -1.525 -16.193 -5.310 1.00 0.00 C ATOM 2200 O ASP C 39 -0.961 -16.948 -4.519 1.00 0.00 O ATOM 2201 CB ASP C 39 -0.465 -16.649 -7.518 1.00 0.00 C ATOM 2202 CG ASP C 39 0.338 -17.919 -7.244 1.00 0.00 C ATOM 2203 OD1 ASP C 39 -0.188 -19.010 -7.549 1.00 0.00 O ATOM 2204 OD2 ASP C 39 1.473 -17.785 -6.730 1.00 0.00 O ATOM 0 H ASP C 39 -2.252 -15.249 -8.209 1.00 0.00 H new ATOM 0 HA ASP C 39 -2.229 -17.637 -6.728 1.00 0.00 H new ATOM 0 HB2 ASP C 39 -0.665 -16.567 -8.586 1.00 0.00 H new ATOM 0 HB3 ASP C 39 0.125 -15.777 -7.236 1.00 0.00 H new ATOM 2209 N VAL C 40 -1.934 -14.966 -4.974 1.00 0.00 N ATOM 2210 CA VAL C 40 -1.788 -14.400 -3.640 1.00 0.00 C ATOM 2211 C VAL C 40 -3.090 -13.711 -3.248 1.00 0.00 C ATOM 2212 O VAL C 40 -3.906 -13.372 -4.109 1.00 0.00 O ATOM 2213 CB VAL C 40 -0.605 -13.421 -3.580 1.00 0.00 C ATOM 2214 CG1 VAL C 40 0.649 -14.042 -4.198 1.00 0.00 C ATOM 2215 CG2 VAL C 40 -0.909 -12.118 -4.310 1.00 0.00 C ATOM 0 H VAL C 40 -2.382 -14.332 -5.636 1.00 0.00 H new ATOM 0 HA VAL C 40 -1.577 -15.201 -2.931 1.00 0.00 H new ATOM 0 HB VAL C 40 -0.434 -13.206 -2.525 1.00 0.00 H new ATOM 0 HG11 VAL C 40 1.472 -13.330 -4.144 1.00 0.00 H new ATOM 0 HG12 VAL C 40 0.915 -14.946 -3.651 1.00 0.00 H new ATOM 0 HG13 VAL C 40 0.455 -14.293 -5.241 1.00 0.00 H new ATOM 0 HG21 VAL C 40 -0.047 -11.454 -4.244 1.00 0.00 H new ATOM 0 HG22 VAL C 40 -1.124 -12.329 -5.357 1.00 0.00 H new ATOM 0 HG23 VAL C 40 -1.773 -11.637 -3.852 1.00 0.00 H new ATOM 2225 N ALA C 41 -3.286 -13.496 -1.950 1.00 0.00 N ATOM 2226 CA ALA C 41 -4.504 -12.889 -1.448 1.00 0.00 C ATOM 2227 C ALA C 41 -4.267 -11.424 -1.103 1.00 0.00 C ATOM 2228 O ALA C 41 -3.195 -11.077 -0.611 1.00 0.00 O ATOM 2229 CB ALA C 41 -4.935 -13.662 -0.204 1.00 0.00 C ATOM 0 H ALA C 41 -2.609 -13.737 -1.226 1.00 0.00 H new ATOM 0 HA ALA C 41 -5.284 -12.929 -2.208 1.00 0.00 H new ATOM 0 HB1 ALA C 41 -5.851 -13.226 0.196 1.00 0.00 H new ATOM 0 HB2 ALA C 41 -5.114 -14.705 -0.467 1.00 0.00 H new ATOM 0 HB3 ALA C 41 -4.149 -13.608 0.549 1.00 0.00 H new ATOM 2235 N VAL C 42 -5.262 -10.567 -1.352 1.00 0.00 N ATOM 2236 CA VAL C 42 -5.181 -9.164 -0.969 1.00 0.00 C ATOM 2237 C VAL C 42 -6.560 -8.669 -0.540 1.00 0.00 C ATOM 2238 O VAL C 42 -7.535 -8.825 -1.272 1.00 0.00 O ATOM 2239 CB VAL C 42 -4.612 -8.306 -2.115 1.00 0.00 C ATOM 2240 CG1 VAL C 42 -3.185 -8.734 -2.458 1.00 0.00 C ATOM 2241 CG2 VAL C 42 -5.432 -8.409 -3.399 1.00 0.00 C ATOM 0 H VAL C 42 -6.132 -10.826 -1.818 1.00 0.00 H new ATOM 0 HA VAL C 42 -4.496 -9.069 -0.126 1.00 0.00 H new ATOM 0 HB VAL C 42 -4.643 -7.279 -1.750 1.00 0.00 H new ATOM 0 HG11 VAL C 42 -2.804 -8.114 -3.270 1.00 0.00 H new ATOM 0 HG12 VAL C 42 -2.549 -8.615 -1.581 1.00 0.00 H new ATOM 0 HG13 VAL C 42 -3.183 -9.779 -2.768 1.00 0.00 H new ATOM 0 HG21 VAL C 42 -4.982 -7.783 -4.169 1.00 0.00 H new ATOM 0 HG22 VAL C 42 -5.449 -9.445 -3.738 1.00 0.00 H new ATOM 0 HG23 VAL C 42 -6.451 -8.073 -3.208 1.00 0.00 H new ATOM 2251 N HIS C 43 -6.645 -8.072 0.653 1.00 0.00 N ATOM 2252 CA HIS C 43 -7.908 -7.563 1.175 1.00 0.00 C ATOM 2253 C HIS C 43 -7.651 -6.473 2.206 1.00 0.00 C ATOM 2254 O HIS C 43 -6.527 -6.323 2.682 1.00 0.00 O ATOM 2255 CB HIS C 43 -8.713 -8.681 1.857 1.00 0.00 C ATOM 2256 CG HIS C 43 -8.660 -10.028 1.182 1.00 0.00 C ATOM 2257 ND1 HIS C 43 -9.645 -10.549 0.340 1.00 0.00 N ATOM 2258 CD2 HIS C 43 -7.648 -10.936 1.300 1.00 0.00 C ATOM 2259 CE1 HIS C 43 -9.199 -11.758 -0.033 1.00 0.00 C ATOM 2260 NE2 HIS C 43 -8.008 -12.018 0.530 1.00 0.00 N ATOM 0 H HIS C 43 -5.848 -7.931 1.274 1.00 0.00 H new ATOM 0 HA HIS C 43 -8.473 -7.165 0.332 1.00 0.00 H new ATOM 0 HB2 HIS C 43 -8.351 -8.793 2.879 1.00 0.00 H new ATOM 0 HB3 HIS C 43 -9.755 -8.367 1.920 1.00 0.00 H new ATOM 0 HD1 HIS C 43 -10.521 -10.103 0.066 1.00 0.00 H new ATOM 0 HD2 HIS C 43 -6.745 -10.827 1.882 1.00 0.00 H new ATOM 0 HE1 HIS C 43 -9.725 -12.430 -0.695 1.00 0.00 H new ATOM 2268 N ARG C 44 -8.689 -5.714 2.560 1.00 0.00 N ATOM 2269 CA ARG C 44 -8.601 -4.786 3.679 1.00 0.00 C ATOM 2270 C ARG C 44 -8.762 -5.576 4.974 1.00 0.00 C ATOM 2271 O ARG C 44 -9.289 -6.690 4.954 1.00 0.00 O ATOM 2272 CB ARG C 44 -9.637 -3.667 3.543 1.00 0.00 C ATOM 2273 CG ARG C 44 -11.082 -4.161 3.570 1.00 0.00 C ATOM 2274 CD ARG C 44 -12.011 -2.952 3.427 1.00 0.00 C ATOM 2275 NE ARG C 44 -13.423 -3.307 3.624 1.00 0.00 N ATOM 2276 CZ ARG C 44 -14.187 -3.931 2.722 1.00 0.00 C ATOM 2277 NH1 ARG C 44 -13.685 -4.299 1.545 1.00 0.00 N ATOM 2278 NH2 ARG C 44 -15.459 -4.188 3.000 1.00 0.00 N ATOM 0 H ARG C 44 -9.594 -5.726 2.089 1.00 0.00 H new ATOM 0 HA ARG C 44 -7.627 -4.296 3.689 1.00 0.00 H new ATOM 0 HB2 ARG C 44 -9.492 -2.950 4.351 1.00 0.00 H new ATOM 0 HB3 ARG C 44 -9.462 -3.134 2.609 1.00 0.00 H new ATOM 0 HG2 ARG C 44 -11.255 -4.870 2.760 1.00 0.00 H new ATOM 0 HG3 ARG C 44 -11.285 -4.687 4.503 1.00 0.00 H new ATOM 0 HD2 ARG C 44 -11.726 -2.190 4.152 1.00 0.00 H new ATOM 0 HD3 ARG C 44 -11.884 -2.514 2.437 1.00 0.00 H new ATOM 0 HE ARG C 44 -13.852 -3.059 4.515 1.00 0.00 H new ATOM 0 HH11 ARG C 44 -12.708 -4.105 1.324 1.00 0.00 H new ATOM 0 HH12 ARG C 44 -14.277 -4.775 0.864 1.00 0.00 H new ATOM 0 HH21 ARG C 44 -15.851 -3.909 3.900 1.00 0.00 H new ATOM 0 HH22 ARG C 44 -16.045 -4.664 2.314 1.00 0.00 H new ATOM 2292 N GLU C 45 -8.315 -5.008 6.096 1.00 0.00 N ATOM 2293 CA GLU C 45 -8.352 -5.673 7.395 1.00 0.00 C ATOM 2294 C GLU C 45 -9.712 -6.296 7.706 1.00 0.00 C ATOM 2295 O GLU C 45 -9.775 -7.344 8.337 1.00 0.00 O ATOM 2296 CB GLU C 45 -7.986 -4.653 8.477 1.00 0.00 C ATOM 2297 CG GLU C 45 -6.472 -4.530 8.626 1.00 0.00 C ATOM 2298 CD GLU C 45 -5.855 -5.732 9.346 1.00 0.00 C ATOM 2299 OE1 GLU C 45 -6.622 -6.515 9.956 1.00 0.00 O ATOM 2300 OE2 GLU C 45 -4.614 -5.861 9.280 1.00 0.00 O ATOM 0 H GLU C 45 -7.916 -4.070 6.127 1.00 0.00 H new ATOM 0 HA GLU C 45 -7.634 -6.492 7.372 1.00 0.00 H new ATOM 0 HB2 GLU C 45 -8.410 -3.681 8.223 1.00 0.00 H new ATOM 0 HB3 GLU C 45 -8.425 -4.954 9.428 1.00 0.00 H new ATOM 0 HG2 GLU C 45 -6.020 -4.430 7.639 1.00 0.00 H new ATOM 0 HG3 GLU C 45 -6.237 -3.620 9.178 1.00 0.00 H new ATOM 2307 N GLU C 46 -10.808 -5.671 7.274 1.00 0.00 N ATOM 2308 CA GLU C 46 -12.137 -6.167 7.593 1.00 0.00 C ATOM 2309 C GLU C 46 -12.362 -7.562 7.025 1.00 0.00 C ATOM 2310 O GLU C 46 -12.924 -8.415 7.704 1.00 0.00 O ATOM 2311 CB GLU C 46 -13.193 -5.224 7.013 1.00 0.00 C ATOM 2312 CG GLU C 46 -13.266 -3.878 7.735 1.00 0.00 C ATOM 2313 CD GLU C 46 -11.978 -3.063 7.632 1.00 0.00 C ATOM 2314 OE1 GLU C 46 -11.351 -3.105 6.550 1.00 0.00 O ATOM 2315 OE2 GLU C 46 -11.622 -2.398 8.632 1.00 0.00 O ATOM 0 H GLU C 46 -10.797 -4.824 6.705 1.00 0.00 H new ATOM 0 HA GLU C 46 -12.222 -6.213 8.679 1.00 0.00 H new ATOM 0 HB2 GLU C 46 -12.976 -5.051 5.959 1.00 0.00 H new ATOM 0 HB3 GLU C 46 -14.168 -5.708 7.062 1.00 0.00 H new ATOM 0 HG2 GLU C 46 -14.089 -3.296 7.321 1.00 0.00 H new ATOM 0 HG3 GLU C 46 -13.495 -4.050 8.787 1.00 0.00 H new ATOM 2322 N ILE C 47 -11.925 -7.799 5.786 1.00 0.00 N ATOM 2323 CA ILE C 47 -12.085 -9.095 5.140 1.00 0.00 C ATOM 2324 C ILE C 47 -10.972 -10.030 5.597 1.00 0.00 C ATOM 2325 O ILE C 47 -11.195 -11.222 5.797 1.00 0.00 O ATOM 2326 CB ILE C 47 -12.023 -8.923 3.614 1.00 0.00 C ATOM 2327 CG1 ILE C 47 -13.325 -8.379 3.020 1.00 0.00 C ATOM 2328 CG2 ILE C 47 -11.759 -10.267 2.927 1.00 0.00 C ATOM 2329 CD1 ILE C 47 -13.736 -7.033 3.608 1.00 0.00 C ATOM 0 H ILE C 47 -11.454 -7.101 5.210 1.00 0.00 H new ATOM 0 HA ILE C 47 -13.051 -9.520 5.414 1.00 0.00 H new ATOM 0 HB ILE C 47 -11.216 -8.211 3.438 1.00 0.00 H new ATOM 0 HG12 ILE C 47 -13.210 -8.277 1.941 1.00 0.00 H new ATOM 0 HG13 ILE C 47 -14.124 -9.101 3.189 1.00 0.00 H new ATOM 0 HG21 ILE C 47 -11.719 -10.122 1.847 1.00 0.00 H new ATOM 0 HG22 ILE C 47 -10.809 -10.673 3.274 1.00 0.00 H new ATOM 0 HG23 ILE C 47 -12.561 -10.964 3.170 1.00 0.00 H new ATOM 0 HD11 ILE C 47 -14.666 -6.703 3.145 1.00 0.00 H new ATOM 0 HD12 ILE C 47 -13.882 -7.135 4.683 1.00 0.00 H new ATOM 0 HD13 ILE C 47 -12.954 -6.298 3.416 1.00 0.00 H new ATOM 2341 N TYR C 48 -9.767 -9.486 5.769 1.00 0.00 N ATOM 2342 CA TYR C 48 -8.598 -10.269 6.122 1.00 0.00 C ATOM 2343 C TYR C 48 -8.784 -11.007 7.444 1.00 0.00 C ATOM 2344 O TYR C 48 -8.267 -12.107 7.624 1.00 0.00 O ATOM 2345 CB TYR C 48 -7.403 -9.327 6.225 1.00 0.00 C ATOM 2346 CG TYR C 48 -6.128 -10.041 6.597 1.00 0.00 C ATOM 2347 CD1 TYR C 48 -5.383 -10.713 5.617 1.00 0.00 C ATOM 2348 CD2 TYR C 48 -5.697 -10.034 7.930 1.00 0.00 C ATOM 2349 CE1 TYR C 48 -4.203 -11.383 5.969 1.00 0.00 C ATOM 2350 CE2 TYR C 48 -4.526 -10.709 8.295 1.00 0.00 C ATOM 2351 CZ TYR C 48 -3.767 -11.378 7.311 1.00 0.00 C ATOM 2352 OH TYR C 48 -2.612 -12.019 7.650 1.00 0.00 O ATOM 0 H TYR C 48 -9.581 -8.488 5.666 1.00 0.00 H new ATOM 0 HA TYR C 48 -8.437 -11.022 5.350 1.00 0.00 H new ATOM 0 HB2 TYR C 48 -7.264 -8.818 5.271 1.00 0.00 H new ATOM 0 HB3 TYR C 48 -7.614 -8.559 6.969 1.00 0.00 H new ATOM 0 HD1 TYR C 48 -5.719 -10.714 4.590 1.00 0.00 H new ATOM 0 HD2 TYR C 48 -6.270 -9.506 8.678 1.00 0.00 H new ATOM 0 HE1 TYR C 48 -3.629 -11.902 5.215 1.00 0.00 H new ATOM 0 HE2 TYR C 48 -4.205 -10.718 9.326 1.00 0.00 H new ATOM 0 HH TYR C 48 -2.453 -11.920 8.612 1.00 0.00 H new