USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 817 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 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -61:sc= 0.398 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.0235 X(o=-0.023,f=-0.39) USER MOD Single : A 31 HIS : no HE2:sc= -0.331 K(o=-0.33,f=-1.3) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.696) USER MOD Single : A 51 GLN : amide:sc=-0.00705 X(o=-0.0071,f=0.03) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 60 SER OG : rot 180:sc= -0.122 USER MOD Single : A 65 ASN : amide:sc= -0.52 K(o=-0.52,f=-1.4) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 VAL N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 SER OG : rot -170:sc= 0 USER MOD Single : B 7 SER OG : rot 180:sc= 0 USER MOD Single : B 8 SER OG : rot 54:sc= 0.455 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.216 -30.352 4.679 1.00 0.00 N ATOM 2 CA GLY A 1 -5.908 -30.711 4.051 1.00 0.00 C ATOM 3 C GLY A 1 -5.039 -29.494 3.755 1.00 0.00 C ATOM 4 O GLY A 1 -4.417 -28.931 4.698 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.764 -31.217 4.858 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.045 -29.858 5.578 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.750 -29.730 4.039 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.366 -31.386 4.713 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.092 -31.254 3.124 1.00 0.00 H new ATOM 10 N ALA A 2 -4.997 -29.097 2.386 1.00 0.00 N ATOM 11 CA ALA A 2 -4.216 -27.910 1.809 1.00 0.00 C ATOM 12 C ALA A 2 -5.157 -26.759 1.269 1.00 0.00 C ATOM 13 O ALA A 2 -6.102 -27.011 0.433 1.00 0.00 O ATOM 14 CB ALA A 2 -3.184 -28.378 0.715 1.00 0.00 C ATOM 0 H ALA A 2 -5.512 -29.605 1.667 1.00 0.00 H new ATOM 0 HA ALA A 2 -3.653 -27.479 2.637 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -2.648 -27.512 0.327 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -2.474 -29.076 1.159 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -3.715 -28.871 -0.099 1.00 0.00 H new ATOM 20 N MET A 3 -4.903 -25.477 1.834 1.00 0.00 N ATOM 21 CA MET A 3 -5.611 -24.161 1.465 1.00 0.00 C ATOM 22 C MET A 3 -4.658 -23.099 0.792 1.00 0.00 C ATOM 23 O MET A 3 -3.458 -22.939 1.201 1.00 0.00 O ATOM 24 CB MET A 3 -6.448 -23.513 2.673 1.00 0.00 C ATOM 25 CG MET A 3 -7.845 -24.166 2.974 1.00 0.00 C ATOM 26 SD MET A 3 -7.842 -25.791 3.874 1.00 0.00 S ATOM 27 CE MET A 3 -7.611 -25.360 5.631 1.00 0.00 C ATOM 0 H MET A 3 -4.197 -25.344 2.558 1.00 0.00 H new ATOM 0 HA MET A 3 -6.338 -24.458 0.709 1.00 0.00 H new ATOM 0 HB2 MET A 3 -5.842 -23.566 3.578 1.00 0.00 H new ATOM 0 HB3 MET A 3 -6.603 -22.456 2.455 1.00 0.00 H new ATOM 0 HG2 MET A 3 -8.431 -23.457 3.558 1.00 0.00 H new ATOM 0 HG3 MET A 3 -8.365 -24.305 2.026 1.00 0.00 H new ATOM 0 HE1 MET A 3 -7.598 -26.270 6.230 1.00 0.00 H new ATOM 0 HE2 MET A 3 -6.666 -24.831 5.755 1.00 0.00 H new ATOM 0 HE3 MET A 3 -8.430 -24.721 5.960 1.00 0.00 H new ATOM 37 N GLU A 4 -5.253 -22.381 -0.276 1.00 0.00 N ATOM 38 CA GLU A 4 -4.582 -21.291 -1.148 1.00 0.00 C ATOM 39 C GLU A 4 -5.153 -19.813 -0.849 1.00 0.00 C ATOM 40 O GLU A 4 -6.189 -19.657 -0.148 1.00 0.00 O ATOM 41 CB GLU A 4 -4.626 -21.635 -2.732 1.00 0.00 C ATOM 42 CG GLU A 4 -3.784 -22.873 -3.226 1.00 0.00 C ATOM 43 CD GLU A 4 -3.867 -23.140 -4.748 1.00 0.00 C ATOM 44 OE1 GLU A 4 -4.766 -23.916 -5.178 1.00 0.00 O ATOM 45 OE2 GLU A 4 -3.015 -22.600 -5.505 1.00 0.00 O ATOM 0 H GLU A 4 -6.220 -22.549 -0.553 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.532 -21.292 -0.854 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.666 -21.801 -3.013 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.285 -20.755 -3.278 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.740 -22.718 -2.954 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.123 -23.762 -2.695 1.00 0.00 H new ATOM 52 N MET A 5 -4.392 -18.749 -1.390 1.00 0.00 N ATOM 53 CA MET A 5 -4.643 -17.237 -1.284 1.00 0.00 C ATOM 54 C MET A 5 -5.198 -16.561 -2.654 1.00 0.00 C ATOM 55 O MET A 5 -5.017 -17.134 -3.770 1.00 0.00 O ATOM 56 CB MET A 5 -3.367 -16.457 -0.590 1.00 0.00 C ATOM 57 CG MET A 5 -1.938 -16.673 -1.189 1.00 0.00 C ATOM 58 SD MET A 5 -0.630 -15.988 -0.150 1.00 0.00 S ATOM 59 CE MET A 5 0.831 -16.571 -1.005 1.00 0.00 C ATOM 0 H MET A 5 -3.551 -18.943 -1.934 1.00 0.00 H new ATOM 0 HA MET A 5 -5.478 -17.104 -0.596 1.00 0.00 H new ATOM 0 HB2 MET A 5 -3.579 -15.388 -0.617 1.00 0.00 H new ATOM 0 HB3 MET A 5 -3.333 -16.748 0.460 1.00 0.00 H new ATOM 0 HG2 MET A 5 -1.765 -17.740 -1.326 1.00 0.00 H new ATOM 0 HG3 MET A 5 -1.890 -16.213 -2.176 1.00 0.00 H new ATOM 0 HE1 MET A 5 1.722 -16.226 -0.480 1.00 0.00 H new ATOM 0 HE2 MET A 5 0.825 -17.661 -1.034 1.00 0.00 H new ATOM 0 HE3 MET A 5 0.837 -16.181 -2.023 1.00 0.00 H new ATOM 69 N GLU A 6 -5.847 -15.313 -2.487 1.00 0.00 N ATOM 70 CA GLU A 6 -6.542 -14.463 -3.583 1.00 0.00 C ATOM 71 C GLU A 6 -6.023 -12.963 -3.623 1.00 0.00 C ATOM 72 O GLU A 6 -6.118 -12.223 -2.602 1.00 0.00 O ATOM 73 CB GLU A 6 -8.196 -14.602 -3.640 1.00 0.00 C ATOM 74 CG GLU A 6 -9.073 -14.256 -2.336 1.00 0.00 C ATOM 75 CD GLU A 6 -10.602 -14.331 -2.555 1.00 0.00 C ATOM 76 OE1 GLU A 6 -11.209 -13.291 -2.929 1.00 0.00 O ATOM 77 OE2 GLU A 6 -11.195 -15.417 -2.325 1.00 0.00 O ATOM 0 H GLU A 6 -5.901 -14.866 -1.572 1.00 0.00 H new ATOM 0 HA GLU A 6 -6.222 -14.917 -4.521 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.548 -13.961 -4.448 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -8.426 -15.629 -3.924 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.799 -14.944 -1.536 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -8.816 -13.253 -1.996 1.00 0.00 H new ATOM 84 N TYR A 7 -5.487 -12.550 -4.855 1.00 0.00 N ATOM 85 CA TYR A 7 -4.860 -11.167 -5.161 1.00 0.00 C ATOM 86 C TYR A 7 -5.827 -10.215 -5.959 1.00 0.00 C ATOM 87 O TYR A 7 -6.609 -10.688 -6.863 1.00 0.00 O ATOM 88 CB TYR A 7 -3.456 -11.320 -5.944 1.00 0.00 C ATOM 89 CG TYR A 7 -2.267 -12.104 -5.257 1.00 0.00 C ATOM 90 CD1 TYR A 7 -2.174 -13.516 -5.296 1.00 0.00 C ATOM 91 CD2 TYR A 7 -1.245 -11.414 -4.625 1.00 0.00 C ATOM 92 CE1 TYR A 7 -1.114 -14.183 -4.732 1.00 0.00 C ATOM 93 CE2 TYR A 7 -0.166 -12.088 -4.051 1.00 0.00 C ATOM 94 CZ TYR A 7 -0.105 -13.466 -4.115 1.00 0.00 C ATOM 95 OH TYR A 7 0.963 -14.126 -3.558 1.00 0.00 O ATOM 0 H TYR A 7 -5.477 -13.167 -5.667 1.00 0.00 H new ATOM 0 HA TYR A 7 -4.678 -10.700 -4.193 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -3.664 -11.809 -6.896 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -3.098 -10.316 -6.173 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -2.955 -14.082 -5.781 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -1.284 -10.336 -4.576 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -1.069 -15.261 -4.770 1.00 0.00 H new ATOM 0 HE2 TYR A 7 0.619 -11.533 -3.558 1.00 0.00 H new ATOM 0 HH TYR A 7 1.582 -13.475 -3.166 1.00 0.00 H new ATOM 105 N GLU A 8 -5.759 -8.832 -5.587 1.00 0.00 N ATOM 106 CA GLU A 8 -6.642 -7.722 -6.179 1.00 0.00 C ATOM 107 C GLU A 8 -5.745 -6.511 -6.732 1.00 0.00 C ATOM 108 O GLU A 8 -4.797 -6.030 -6.037 1.00 0.00 O ATOM 109 CB GLU A 8 -7.773 -7.255 -5.095 1.00 0.00 C ATOM 110 CG GLU A 8 -9.109 -6.603 -5.654 1.00 0.00 C ATOM 111 CD GLU A 8 -10.131 -6.205 -4.566 1.00 0.00 C ATOM 112 OE1 GLU A 8 -10.983 -7.058 -4.195 1.00 0.00 O ATOM 113 OE2 GLU A 8 -10.096 -5.032 -4.105 1.00 0.00 O ATOM 0 H GLU A 8 -5.103 -8.487 -4.887 1.00 0.00 H new ATOM 0 HA GLU A 8 -7.183 -8.111 -7.041 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -8.048 -8.127 -4.502 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -7.310 -6.540 -4.415 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.851 -5.717 -6.234 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.582 -7.306 -6.340 1.00 0.00 H new ATOM 120 N GLU A 9 -6.083 -6.080 -8.044 1.00 0.00 N ATOM 121 CA GLU A 9 -5.473 -4.898 -8.797 1.00 0.00 C ATOM 122 C GLU A 9 -6.463 -3.653 -8.877 1.00 0.00 C ATOM 123 O GLU A 9 -7.568 -3.750 -9.523 1.00 0.00 O ATOM 124 CB GLU A 9 -4.770 -5.309 -10.225 1.00 0.00 C ATOM 125 CG GLU A 9 -5.625 -6.054 -11.370 1.00 0.00 C ATOM 126 CD GLU A 9 -4.827 -6.374 -12.653 1.00 0.00 C ATOM 127 OE1 GLU A 9 -4.237 -7.485 -12.736 1.00 0.00 O ATOM 128 OE2 GLU A 9 -4.816 -5.525 -13.585 1.00 0.00 O ATOM 0 H GLU A 9 -6.794 -6.560 -8.595 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.633 -4.556 -8.193 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.373 -4.394 -10.664 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.918 -5.947 -9.993 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.023 -6.983 -10.963 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.479 -5.430 -11.634 1.00 0.00 H new ATOM 135 N ILE A 10 -6.051 -2.503 -8.157 1.00 0.00 N ATOM 136 CA ILE A 10 -6.860 -1.191 -8.056 1.00 0.00 C ATOM 137 C ILE A 10 -6.081 -0.023 -8.865 1.00 0.00 C ATOM 138 O ILE A 10 -4.827 0.098 -8.770 1.00 0.00 O ATOM 139 CB ILE A 10 -7.232 -0.798 -6.425 1.00 0.00 C ATOM 140 CG1 ILE A 10 -8.052 -1.973 -5.680 1.00 0.00 C ATOM 141 CG2 ILE A 10 -8.010 0.612 -6.205 1.00 0.00 C ATOM 142 CD1 ILE A 10 -7.608 -2.274 -4.210 1.00 0.00 C ATOM 0 H ILE A 10 -5.170 -2.467 -7.645 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.833 -1.315 -8.531 1.00 0.00 H new ATOM 0 HB ILE A 10 -6.246 -0.684 -5.974 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -9.109 -1.708 -5.675 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -7.955 -2.888 -6.265 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -8.196 0.763 -5.142 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.397 1.429 -6.586 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.959 0.591 -6.740 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -8.221 -3.078 -3.802 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -6.561 -2.576 -4.201 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -7.733 -1.378 -3.602 1.00 0.00 H new ATOM 154 N THR A 11 -6.914 0.789 -9.665 1.00 0.00 N ATOM 155 CA THR A 11 -6.478 2.042 -10.423 1.00 0.00 C ATOM 156 C THR A 11 -7.380 3.264 -9.905 1.00 0.00 C ATOM 157 O THR A 11 -8.649 3.271 -10.074 1.00 0.00 O ATOM 158 CB THR A 11 -6.495 1.884 -12.076 1.00 0.00 C ATOM 159 OG1 THR A 11 -6.091 0.550 -12.464 1.00 0.00 O ATOM 160 CG2 THR A 11 -5.469 2.853 -12.772 1.00 0.00 C ATOM 0 H THR A 11 -7.904 0.581 -9.793 1.00 0.00 H new ATOM 0 HA THR A 11 -5.426 2.230 -10.207 1.00 0.00 H new ATOM 0 HB THR A 11 -7.515 2.113 -12.385 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.108 0.474 -13.441 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.514 2.716 -13.852 1.00 0.00 H new ATOM 0 HG22 THR A 11 -5.719 3.885 -12.527 1.00 0.00 H new ATOM 0 HG23 THR A 11 -4.462 2.630 -12.420 1.00 0.00 H new ATOM 168 N LEU A 12 -6.639 4.267 -9.256 1.00 0.00 N ATOM 169 CA LEU A 12 -7.180 5.519 -8.606 1.00 0.00 C ATOM 170 C LEU A 12 -6.630 6.826 -9.293 1.00 0.00 C ATOM 171 O LEU A 12 -5.447 6.875 -9.773 1.00 0.00 O ATOM 172 CB LEU A 12 -6.823 5.539 -6.976 1.00 0.00 C ATOM 173 CG LEU A 12 -7.960 5.712 -5.804 1.00 0.00 C ATOM 174 CD1 LEU A 12 -8.870 6.976 -5.871 1.00 0.00 C ATOM 175 CD2 LEU A 12 -8.781 4.439 -5.538 1.00 0.00 C ATOM 0 H LEU A 12 -5.624 4.207 -9.179 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.262 5.504 -8.736 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.302 4.605 -6.764 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.104 6.345 -6.829 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.327 5.894 -4.935 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -9.573 6.962 -5.038 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -8.253 7.872 -5.810 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.421 6.978 -6.811 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.510 4.634 -4.752 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.301 4.144 -6.450 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.115 3.635 -5.224 1.00 0.00 H new ATOM 187 N GLU A 13 -7.554 7.899 -9.326 1.00 0.00 N ATOM 188 CA GLU A 13 -7.269 9.345 -9.788 1.00 0.00 C ATOM 189 C GLU A 13 -6.894 10.194 -8.493 1.00 0.00 C ATOM 190 O GLU A 13 -7.692 10.247 -7.480 1.00 0.00 O ATOM 191 CB GLU A 13 -8.520 10.020 -10.558 1.00 0.00 C ATOM 192 CG GLU A 13 -9.020 9.344 -11.874 1.00 0.00 C ATOM 193 CD GLU A 13 -10.293 9.968 -12.490 1.00 0.00 C ATOM 194 OE1 GLU A 13 -11.419 9.515 -12.141 1.00 0.00 O ATOM 195 OE2 GLU A 13 -10.165 10.888 -13.343 1.00 0.00 O ATOM 0 H GLU A 13 -8.522 7.776 -9.029 1.00 0.00 H new ATOM 0 HA GLU A 13 -6.450 9.329 -10.508 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.359 10.059 -9.863 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.252 11.050 -10.792 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -8.220 9.387 -12.613 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -9.212 8.290 -11.672 1.00 0.00 H new ATOM 202 N ARG A 14 -5.632 10.823 -8.538 1.00 0.00 N ATOM 203 CA ARG A 14 -4.886 11.574 -7.404 1.00 0.00 C ATOM 204 C ARG A 14 -5.641 12.761 -6.694 1.00 0.00 C ATOM 205 O ARG A 14 -5.994 13.804 -7.339 1.00 0.00 O ATOM 206 CB ARG A 14 -3.383 11.901 -7.758 1.00 0.00 C ATOM 207 CG ARG A 14 -2.354 10.752 -7.502 1.00 0.00 C ATOM 208 CD ARG A 14 -0.873 11.198 -7.677 1.00 0.00 C ATOM 209 NE ARG A 14 -0.312 12.047 -6.508 1.00 0.00 N ATOM 210 CZ ARG A 14 0.791 12.936 -6.479 1.00 0.00 C ATOM 211 NH1 ARG A 14 1.569 13.234 -7.566 1.00 0.00 N ATOM 212 NH2 ARG A 14 1.087 13.526 -5.328 1.00 0.00 N ATOM 0 H ARG A 14 -5.085 10.821 -9.399 1.00 0.00 H new ATOM 0 HA ARG A 14 -4.874 10.826 -6.611 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -3.331 12.181 -8.810 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -3.076 12.773 -7.180 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -2.493 10.368 -6.491 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -2.561 9.929 -8.187 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -0.252 10.310 -7.795 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.787 11.772 -8.600 1.00 0.00 H new ATOM 0 HE ARG A 14 -0.813 11.951 -5.625 1.00 0.00 H new ATOM 0 HH11 ARG A 14 1.368 12.805 -8.470 1.00 0.00 H new ATOM 0 HH12 ARG A 14 2.349 13.885 -7.472 1.00 0.00 H new ATOM 0 HH21 ARG A 14 0.527 13.334 -4.498 1.00 0.00 H new ATOM 0 HH22 ARG A 14 1.875 14.171 -5.274 1.00 0.00 H new ATOM 226 N GLY A 15 -5.931 12.496 -5.316 1.00 0.00 N ATOM 227 CA GLY A 15 -6.705 13.440 -4.357 1.00 0.00 C ATOM 228 C GLY A 15 -6.019 14.804 -3.956 1.00 0.00 C ATOM 229 O GLY A 15 -4.767 14.941 -4.052 1.00 0.00 O ATOM 0 H GLY A 15 -5.634 11.634 -4.859 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.666 13.671 -4.817 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -6.915 12.888 -3.441 1.00 0.00 H new ATOM 233 N ASN A 16 -6.910 15.804 -3.478 1.00 0.00 N ATOM 234 CA ASN A 16 -6.548 17.265 -3.015 1.00 0.00 C ATOM 235 C ASN A 16 -5.690 17.391 -1.642 1.00 0.00 C ATOM 236 O ASN A 16 -4.873 18.350 -1.491 1.00 0.00 O ATOM 237 CB ASN A 16 -7.836 18.275 -3.081 1.00 0.00 C ATOM 238 CG ASN A 16 -9.168 17.911 -2.279 1.00 0.00 C ATOM 239 OD1 ASN A 16 -9.154 17.283 -1.201 1.00 0.00 O ATOM 240 ND2 ASN A 16 -10.303 18.322 -2.834 1.00 0.00 N ATOM 0 H ASN A 16 -7.911 15.622 -3.401 1.00 0.00 H new ATOM 0 HA ASN A 16 -5.834 17.607 -3.764 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -7.502 19.252 -2.732 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -8.108 18.388 -4.130 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -11.194 18.126 -2.378 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -10.283 18.834 -3.716 1.00 0.00 H new ATOM 247 N SER A 17 -5.913 16.358 -0.688 1.00 0.00 N ATOM 248 CA SER A 17 -5.167 16.132 0.638 1.00 0.00 C ATOM 249 C SER A 17 -3.956 15.057 0.517 1.00 0.00 C ATOM 250 O SER A 17 -3.003 15.090 1.368 1.00 0.00 O ATOM 251 CB SER A 17 -6.182 15.715 1.782 1.00 0.00 C ATOM 252 OG SER A 17 -7.110 16.757 2.085 1.00 0.00 O ATOM 0 H SER A 17 -6.635 15.653 -0.838 1.00 0.00 H new ATOM 0 HA SER A 17 -4.703 17.083 0.901 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.728 14.823 1.474 1.00 0.00 H new ATOM 0 HB3 SER A 17 -5.625 15.453 2.682 1.00 0.00 H new ATOM 0 HG SER A 17 -7.718 16.458 2.793 1.00 0.00 H new ATOM 258 N GLY A 18 -3.998 14.149 -0.616 1.00 0.00 N ATOM 259 CA GLY A 18 -3.011 13.041 -0.910 1.00 0.00 C ATOM 260 C GLY A 18 -3.675 11.673 -0.772 1.00 0.00 C ATOM 261 O GLY A 18 -3.255 10.843 0.063 1.00 0.00 O ATOM 0 H GLY A 18 -4.734 14.206 -1.319 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.616 13.158 -1.919 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.165 13.110 -0.226 1.00 0.00 H new ATOM 265 N LEU A 19 -4.789 11.467 -1.672 1.00 0.00 N ATOM 266 CA LEU A 19 -5.811 10.322 -1.741 1.00 0.00 C ATOM 267 C LEU A 19 -6.849 10.289 -0.547 1.00 0.00 C ATOM 268 O LEU A 19 -7.892 10.965 -0.662 1.00 0.00 O ATOM 269 CB LEU A 19 -5.236 8.837 -2.271 1.00 0.00 C ATOM 270 CG LEU A 19 -4.653 8.567 -3.716 1.00 0.00 C ATOM 271 CD1 LEU A 19 -5.513 8.904 -4.923 1.00 0.00 C ATOM 272 CD2 LEU A 19 -3.180 8.908 -3.854 1.00 0.00 C ATOM 0 H LEU A 19 -4.980 12.156 -2.400 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.430 10.604 -2.592 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.452 8.549 -1.570 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.056 8.131 -2.139 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.716 7.480 -3.767 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.970 8.660 -5.836 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.436 8.326 -4.885 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.750 9.968 -4.915 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.851 8.697 -4.872 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.029 9.965 -3.636 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.600 8.307 -3.153 1.00 0.00 H new ATOM 284 N GLY A 20 -6.459 9.617 0.611 1.00 0.00 N ATOM 285 CA GLY A 20 -7.286 9.436 1.846 1.00 0.00 C ATOM 286 C GLY A 20 -6.896 8.200 2.664 1.00 0.00 C ATOM 287 O GLY A 20 -7.795 7.521 3.215 1.00 0.00 O ATOM 0 H GLY A 20 -5.539 9.184 0.695 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -7.189 10.323 2.473 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.336 9.359 1.563 1.00 0.00 H new ATOM 291 N PHE A 21 -5.479 7.905 2.735 1.00 0.00 N ATOM 292 CA PHE A 21 -4.781 6.793 3.498 1.00 0.00 C ATOM 293 C PHE A 21 -3.240 7.229 3.785 1.00 0.00 C ATOM 294 O PHE A 21 -2.781 8.302 3.250 1.00 0.00 O ATOM 295 CB PHE A 21 -4.923 5.323 2.709 1.00 0.00 C ATOM 296 CG PHE A 21 -4.178 5.026 1.321 1.00 0.00 C ATOM 297 CD1 PHE A 21 -4.565 5.627 0.078 1.00 0.00 C ATOM 298 CD2 PHE A 21 -3.127 4.100 1.301 1.00 0.00 C ATOM 299 CE1 PHE A 21 -3.905 5.292 -1.104 1.00 0.00 C ATOM 300 CE2 PHE A 21 -2.479 3.769 0.113 1.00 0.00 C ATOM 301 CZ PHE A 21 -2.871 4.362 -1.084 1.00 0.00 C ATOM 0 H PHE A 21 -4.806 8.481 2.229 1.00 0.00 H new ATOM 0 HA PHE A 21 -5.268 6.645 4.462 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.595 4.557 3.411 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.987 5.162 2.535 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.373 6.344 0.057 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.813 3.634 2.223 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.197 5.755 -2.035 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.672 3.052 0.121 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.369 4.098 -2.003 1.00 0.00 H new ATOM 311 N SER A 22 -2.453 6.415 4.681 1.00 0.00 N ATOM 312 CA SER A 22 -0.947 6.548 4.892 1.00 0.00 C ATOM 313 C SER A 22 -0.254 5.128 4.945 1.00 0.00 C ATOM 314 O SER A 22 -0.864 4.134 5.482 1.00 0.00 O ATOM 315 CB SER A 22 -0.567 7.431 6.138 1.00 0.00 C ATOM 316 OG SER A 22 -1.023 8.776 6.030 1.00 0.00 O ATOM 0 H SER A 22 -2.867 5.675 5.248 1.00 0.00 H new ATOM 0 HA SER A 22 -0.560 7.083 4.025 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.990 6.982 7.037 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.516 7.430 6.260 1.00 0.00 H new ATOM 0 HG SER A 22 -0.611 9.199 5.248 1.00 0.00 H new ATOM 322 N ILE A 23 1.066 5.041 4.383 1.00 0.00 N ATOM 323 CA ILE A 23 1.894 3.718 4.216 1.00 0.00 C ATOM 324 C ILE A 23 3.266 3.578 4.941 1.00 0.00 C ATOM 325 O ILE A 23 4.195 4.407 4.755 1.00 0.00 O ATOM 326 CB ILE A 23 1.871 3.002 2.747 1.00 0.00 C ATOM 327 CG1 ILE A 23 1.994 3.924 1.411 1.00 0.00 C ATOM 328 CG2 ILE A 23 0.635 2.177 2.705 1.00 0.00 C ATOM 329 CD1 ILE A 23 3.358 4.609 1.040 1.00 0.00 C ATOM 0 H ILE A 23 1.566 5.863 4.045 1.00 0.00 H new ATOM 0 HA ILE A 23 1.242 3.112 4.845 1.00 0.00 H new ATOM 0 HB ILE A 23 2.802 2.438 2.684 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.704 3.303 0.563 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.249 4.715 1.496 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.567 1.673 1.741 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.666 1.434 3.502 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.236 2.819 2.841 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.240 5.179 0.119 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.660 5.279 1.845 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.122 3.845 0.898 1.00 0.00 H new ATOM 341 N ALA A 24 3.340 2.413 5.784 1.00 0.00 N ATOM 342 CA ALA A 24 4.507 2.035 6.673 1.00 0.00 C ATOM 343 C ALA A 24 5.301 0.805 6.074 1.00 0.00 C ATOM 344 O ALA A 24 4.744 -0.330 5.920 1.00 0.00 O ATOM 345 CB ALA A 24 4.017 1.812 8.170 1.00 0.00 C ATOM 0 H ALA A 24 2.576 1.739 5.837 1.00 0.00 H new ATOM 0 HA ALA A 24 5.219 2.860 6.703 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.868 1.541 8.795 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.568 2.731 8.547 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.278 1.011 8.196 1.00 0.00 H new ATOM 351 N GLY A 25 6.617 1.097 5.750 1.00 0.00 N ATOM 352 CA GLY A 25 7.592 0.161 5.073 1.00 0.00 C ATOM 353 C GLY A 25 9.040 0.668 5.106 1.00 0.00 C ATOM 354 O GLY A 25 9.268 1.910 5.268 1.00 0.00 O ATOM 0 H GLY A 25 7.032 2.006 5.958 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.544 -0.815 5.557 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.288 0.018 4.036 1.00 0.00 H new ATOM 358 N GLY A 26 10.021 -0.314 4.933 1.00 0.00 N ATOM 359 CA GLY A 26 11.494 -0.010 5.121 1.00 0.00 C ATOM 360 C GLY A 26 12.492 -1.163 5.020 1.00 0.00 C ATOM 361 O GLY A 26 12.175 -2.324 5.393 1.00 0.00 O ATOM 0 H GLY A 26 9.820 -1.280 4.675 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.776 0.739 4.381 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.616 0.450 6.102 1.00 0.00 H new ATOM 365 N THR A 27 13.739 -0.787 4.496 1.00 0.00 N ATOM 366 CA THR A 27 15.050 -1.629 4.537 1.00 0.00 C ATOM 367 C THR A 27 16.067 -1.150 5.659 1.00 0.00 C ATOM 368 O THR A 27 16.712 -2.017 6.326 1.00 0.00 O ATOM 369 CB THR A 27 15.815 -1.837 3.134 1.00 0.00 C ATOM 370 OG1 THR A 27 15.902 -0.641 2.338 1.00 0.00 O ATOM 371 CG2 THR A 27 15.269 -3.022 2.338 1.00 0.00 C ATOM 0 H THR A 27 13.873 0.110 4.030 1.00 0.00 H new ATOM 0 HA THR A 27 14.671 -2.616 4.801 1.00 0.00 H new ATOM 0 HB THR A 27 16.842 -2.083 3.405 1.00 0.00 H new ATOM 0 HG1 THR A 27 16.378 -0.837 1.504 1.00 0.00 H new ATOM 0 HG21 THR A 27 15.820 -3.116 1.402 1.00 0.00 H new ATOM 0 HG22 THR A 27 15.384 -3.936 2.921 1.00 0.00 H new ATOM 0 HG23 THR A 27 14.213 -2.860 2.123 1.00 0.00 H new ATOM 379 N ASP A 28 16.156 0.265 5.862 1.00 0.00 N ATOM 380 CA ASP A 28 17.007 0.969 6.927 1.00 0.00 C ATOM 381 C ASP A 28 16.133 1.489 8.168 1.00 0.00 C ATOM 382 O ASP A 28 16.610 1.412 9.341 1.00 0.00 O ATOM 383 CB ASP A 28 17.930 2.145 6.319 1.00 0.00 C ATOM 384 CG ASP A 28 19.109 1.680 5.419 1.00 0.00 C ATOM 385 OD1 ASP A 28 18.911 1.561 4.185 1.00 0.00 O ATOM 386 OD2 ASP A 28 20.221 1.457 5.957 1.00 0.00 O ATOM 0 H ASP A 28 15.634 0.924 5.284 1.00 0.00 H new ATOM 0 HA ASP A 28 17.685 0.206 7.309 1.00 0.00 H new ATOM 0 HB2 ASP A 28 17.296 2.815 5.738 1.00 0.00 H new ATOM 0 HB3 ASP A 28 18.336 2.727 7.146 1.00 0.00 H new ATOM 391 N ASN A 29 14.813 1.988 7.855 1.00 0.00 N ATOM 392 CA ASN A 29 13.782 2.529 8.827 1.00 0.00 C ATOM 393 C ASN A 29 12.597 1.428 9.177 1.00 0.00 C ATOM 394 O ASN A 29 11.690 1.221 8.312 1.00 0.00 O ATOM 395 CB ASN A 29 13.243 4.000 8.403 1.00 0.00 C ATOM 396 CG ASN A 29 14.281 5.152 8.603 1.00 0.00 C ATOM 397 OD1 ASN A 29 14.360 5.756 9.676 1.00 0.00 O ATOM 398 ND2 ASN A 29 15.063 5.456 7.555 1.00 0.00 N ATOM 0 H ASN A 29 14.472 2.007 6.894 1.00 0.00 H new ATOM 0 HA ASN A 29 14.289 2.688 9.778 1.00 0.00 H new ATOM 0 HB2 ASN A 29 12.943 3.975 7.355 1.00 0.00 H new ATOM 0 HB3 ASN A 29 12.350 4.228 8.985 1.00 0.00 H new ATOM 0 HD21 ASN A 29 15.749 6.207 7.631 1.00 0.00 H new ATOM 0 HD22 ASN A 29 14.971 4.936 6.682 1.00 0.00 H new ATOM 405 N PRO A 30 12.620 0.626 10.501 1.00 0.00 N ATOM 406 CA PRO A 30 11.574 -0.489 10.878 1.00 0.00 C ATOM 407 C PRO A 30 10.072 -0.028 11.275 1.00 0.00 C ATOM 408 O PRO A 30 9.842 1.183 11.599 1.00 0.00 O ATOM 409 CB PRO A 30 12.243 -1.211 12.117 1.00 0.00 C ATOM 410 CG PRO A 30 13.640 -0.647 12.288 1.00 0.00 C ATOM 411 CD PRO A 30 13.661 0.718 11.653 1.00 0.00 C ATOM 0 HA PRO A 30 11.393 -1.094 9.989 1.00 0.00 H new ATOM 0 HB2 PRO A 30 11.653 -1.047 13.018 1.00 0.00 H new ATOM 0 HB3 PRO A 30 12.284 -2.288 11.954 1.00 0.00 H new ATOM 0 HG2 PRO A 30 13.900 -0.582 13.345 1.00 0.00 H new ATOM 0 HG3 PRO A 30 14.376 -1.299 11.818 1.00 0.00 H new ATOM 0 HD2 PRO A 30 13.392 1.494 12.370 1.00 0.00 H new ATOM 0 HD3 PRO A 30 14.653 0.964 11.273 1.00 0.00 H new ATOM 419 N HIS A 31 9.067 -1.060 11.179 1.00 0.00 N ATOM 420 CA HIS A 31 7.672 -0.963 11.727 1.00 0.00 C ATOM 421 C HIS A 31 7.398 -1.981 12.964 1.00 0.00 C ATOM 422 O HIS A 31 6.763 -1.536 13.959 1.00 0.00 O ATOM 423 CB HIS A 31 6.506 -0.987 10.574 1.00 0.00 C ATOM 424 CG HIS A 31 5.042 -0.622 11.070 1.00 0.00 C ATOM 425 ND1 HIS A 31 4.657 0.663 11.452 1.00 0.00 N ATOM 426 CD2 HIS A 31 3.974 -1.417 11.353 1.00 0.00 C ATOM 427 CE1 HIS A 31 3.431 0.628 11.947 1.00 0.00 C ATOM 428 NE2 HIS A 31 3.003 -0.620 11.895 1.00 0.00 N ATOM 0 H HIS A 31 9.247 -1.951 10.717 1.00 0.00 H new ATOM 0 HA HIS A 31 7.602 0.035 12.161 1.00 0.00 H new ATOM 0 HB2 HIS A 31 6.787 -0.290 9.784 1.00 0.00 H new ATOM 0 HB3 HIS A 31 6.482 -1.981 10.128 1.00 0.00 H new ATOM 0 HD1 HIS A 31 5.232 1.501 11.363 1.00 0.00 H new ATOM 0 HD2 HIS A 31 3.906 -2.481 11.181 1.00 0.00 H new ATOM 0 HE1 HIS A 31 2.877 1.473 12.327 1.00 0.00 H new ATOM 437 N ILE A 32 7.878 -3.319 12.876 1.00 0.00 N ATOM 438 CA ILE A 32 7.582 -4.406 13.877 1.00 0.00 C ATOM 439 C ILE A 32 8.931 -5.162 14.494 1.00 0.00 C ATOM 440 O ILE A 32 8.829 -6.309 15.049 1.00 0.00 O ATOM 441 CB ILE A 32 6.297 -5.376 13.284 1.00 0.00 C ATOM 442 CG1 ILE A 32 5.513 -6.168 14.371 1.00 0.00 C ATOM 443 CG2 ILE A 32 6.578 -6.278 12.021 1.00 0.00 C ATOM 444 CD1 ILE A 32 4.459 -5.365 15.207 1.00 0.00 C ATOM 0 H ILE A 32 8.470 -3.637 12.108 1.00 0.00 H new ATOM 0 HA ILE A 32 7.208 -3.973 14.805 1.00 0.00 H new ATOM 0 HB ILE A 32 5.647 -4.585 12.911 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.000 -6.997 13.884 1.00 0.00 H new ATOM 0 HG13 ILE A 32 6.235 -6.602 15.062 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.676 -6.833 11.762 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.870 -5.647 11.181 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.383 -6.978 12.246 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.983 -6.030 15.928 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.957 -4.552 15.736 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.702 -4.953 14.539 1.00 0.00 H new ATOM 456 N GLY A 33 10.121 -4.413 14.437 1.00 0.00 N ATOM 457 CA GLY A 33 11.458 -4.856 14.960 1.00 0.00 C ATOM 458 C GLY A 33 12.632 -4.411 14.092 1.00 0.00 C ATOM 459 O GLY A 33 13.424 -3.541 14.520 1.00 0.00 O ATOM 0 H GLY A 33 10.153 -3.483 14.020 1.00 0.00 H new ATOM 0 HA2 GLY A 33 11.593 -4.463 15.968 1.00 0.00 H new ATOM 0 HA3 GLY A 33 11.466 -5.943 15.038 1.00 0.00 H new ATOM 463 N ASP A 34 12.736 -5.062 12.826 1.00 0.00 N ATOM 464 CA ASP A 34 13.821 -4.890 11.701 1.00 0.00 C ATOM 465 C ASP A 34 13.326 -5.446 10.220 1.00 0.00 C ATOM 466 O ASP A 34 14.167 -5.583 9.263 1.00 0.00 O ATOM 467 CB ASP A 34 15.310 -5.477 12.167 1.00 0.00 C ATOM 468 CG ASP A 34 15.425 -7.001 12.552 1.00 0.00 C ATOM 469 OD1 ASP A 34 15.236 -7.331 13.745 1.00 0.00 O ATOM 470 OD2 ASP A 34 15.708 -7.823 11.652 1.00 0.00 O ATOM 0 H ASP A 34 12.036 -5.751 12.549 1.00 0.00 H new ATOM 0 HA ASP A 34 13.950 -3.816 11.564 1.00 0.00 H new ATOM 0 HB2 ASP A 34 16.012 -5.285 11.355 1.00 0.00 H new ATOM 0 HB3 ASP A 34 15.645 -4.892 13.023 1.00 0.00 H new ATOM 475 N ASP A 35 11.909 -5.628 10.034 1.00 0.00 N ATOM 476 CA ASP A 35 11.197 -6.319 8.845 1.00 0.00 C ATOM 477 C ASP A 35 11.212 -5.541 7.383 1.00 0.00 C ATOM 478 O ASP A 35 10.919 -4.309 7.363 1.00 0.00 O ATOM 479 CB ASP A 35 9.738 -6.780 9.248 1.00 0.00 C ATOM 480 CG ASP A 35 9.658 -8.070 10.116 1.00 0.00 C ATOM 481 OD1 ASP A 35 9.717 -7.959 11.367 1.00 0.00 O ATOM 482 OD2 ASP A 35 9.520 -9.175 9.535 1.00 0.00 O ATOM 0 H ASP A 35 11.241 -5.287 10.726 1.00 0.00 H new ATOM 0 HA ASP A 35 11.827 -7.187 8.651 1.00 0.00 H new ATOM 0 HB2 ASP A 35 9.256 -5.967 9.791 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.162 -6.940 8.337 1.00 0.00 H new ATOM 487 N PRO A 36 11.610 -6.300 6.081 1.00 0.00 N ATOM 488 CA PRO A 36 11.677 -5.645 4.658 1.00 0.00 C ATOM 489 C PRO A 36 10.280 -5.288 3.869 1.00 0.00 C ATOM 490 O PRO A 36 10.305 -4.416 2.946 1.00 0.00 O ATOM 491 CB PRO A 36 12.552 -6.679 3.829 1.00 0.00 C ATOM 492 CG PRO A 36 13.117 -7.663 4.823 1.00 0.00 C ATOM 493 CD PRO A 36 12.096 -7.770 5.924 1.00 0.00 C ATOM 0 HA PRO A 36 12.081 -4.639 4.770 1.00 0.00 H new ATOM 0 HB2 PRO A 36 11.944 -7.189 3.082 1.00 0.00 H new ATOM 0 HB3 PRO A 36 13.352 -6.167 3.293 1.00 0.00 H new ATOM 0 HG2 PRO A 36 13.291 -8.633 4.357 1.00 0.00 H new ATOM 0 HG3 PRO A 36 14.076 -7.319 5.211 1.00 0.00 H new ATOM 0 HD2 PRO A 36 11.279 -8.440 5.656 1.00 0.00 H new ATOM 0 HD3 PRO A 36 12.533 -8.153 6.846 1.00 0.00 H new ATOM 501 N SER A 37 9.075 -5.948 4.309 1.00 0.00 N ATOM 502 CA SER A 37 7.667 -5.852 3.653 1.00 0.00 C ATOM 503 C SER A 37 6.848 -4.511 4.059 1.00 0.00 C ATOM 504 O SER A 37 6.927 -4.046 5.244 1.00 0.00 O ATOM 505 CB SER A 37 6.861 -7.191 3.976 1.00 0.00 C ATOM 506 OG SER A 37 5.647 -7.329 3.218 1.00 0.00 O ATOM 0 H SER A 37 9.073 -6.556 5.128 1.00 0.00 H new ATOM 0 HA SER A 37 7.797 -5.760 2.575 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.503 -8.049 3.777 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.620 -7.213 5.039 1.00 0.00 H new ATOM 0 HG SER A 37 5.203 -8.168 3.461 1.00 0.00 H new ATOM 512 N ILE A 38 6.066 -3.920 3.002 1.00 0.00 N ATOM 513 CA ILE A 38 5.241 -2.613 3.106 1.00 0.00 C ATOM 514 C ILE A 38 3.674 -2.972 3.392 1.00 0.00 C ATOM 515 O ILE A 38 3.011 -3.685 2.598 1.00 0.00 O ATOM 516 CB ILE A 38 5.471 -1.516 1.786 1.00 0.00 C ATOM 517 CG1 ILE A 38 6.951 -1.480 0.965 1.00 0.00 C ATOM 518 CG2 ILE A 38 5.019 -0.027 2.085 1.00 0.00 C ATOM 519 CD1 ILE A 38 8.359 -1.666 1.694 1.00 0.00 C ATOM 0 H ILE A 38 6.005 -4.346 2.077 1.00 0.00 H new ATOM 0 HA ILE A 38 5.625 -2.053 3.959 1.00 0.00 H new ATOM 0 HB ILE A 38 4.790 -2.005 1.090 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.897 -2.252 0.197 1.00 0.00 H new ATOM 0 HG13 ILE A 38 6.995 -0.520 0.450 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.198 0.591 1.205 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.957 -0.011 2.329 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.591 0.365 2.926 1.00 0.00 H new ATOM 0 HD11 ILE A 38 9.161 -1.604 0.958 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.489 -0.881 2.439 1.00 0.00 H new ATOM 0 HD13 ILE A 38 8.390 -2.640 2.183 1.00 0.00 H new ATOM 531 N PHE A 39 3.174 -2.418 4.593 1.00 0.00 N ATOM 532 CA PHE A 39 1.833 -2.675 5.306 1.00 0.00 C ATOM 533 C PHE A 39 1.038 -1.305 5.610 1.00 0.00 C ATOM 534 O PHE A 39 1.681 -0.194 5.809 1.00 0.00 O ATOM 535 CB PHE A 39 2.219 -3.589 6.648 1.00 0.00 C ATOM 536 CG PHE A 39 1.256 -3.920 7.879 1.00 0.00 C ATOM 537 CD1 PHE A 39 -0.010 -4.519 7.753 1.00 0.00 C ATOM 538 CD2 PHE A 39 1.717 -3.652 9.164 1.00 0.00 C ATOM 539 CE1 PHE A 39 -0.773 -4.817 8.878 1.00 0.00 C ATOM 540 CE2 PHE A 39 0.964 -3.957 10.288 1.00 0.00 C ATOM 541 CZ PHE A 39 -0.282 -4.537 10.144 1.00 0.00 C ATOM 0 H PHE A 39 3.734 -1.742 5.113 1.00 0.00 H new ATOM 0 HA PHE A 39 1.122 -3.222 4.687 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.541 -4.556 6.261 1.00 0.00 H new ATOM 0 HB3 PHE A 39 3.097 -3.112 7.084 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.395 -4.751 6.771 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.687 -3.194 9.290 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.748 -5.267 8.765 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.350 -3.742 11.273 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.873 -4.772 11.017 1.00 0.00 H new ATOM 551 N ILE A 40 -0.411 -1.417 5.609 1.00 0.00 N ATOM 552 CA ILE A 40 -1.407 -0.292 5.965 1.00 0.00 C ATOM 553 C ILE A 40 -1.689 -0.291 7.534 1.00 0.00 C ATOM 554 O ILE A 40 -1.832 -1.375 8.189 1.00 0.00 O ATOM 555 CB ILE A 40 -2.890 -0.342 5.119 1.00 0.00 C ATOM 556 CG1 ILE A 40 -2.923 -1.098 3.649 1.00 0.00 C ATOM 557 CG2 ILE A 40 -3.647 1.075 5.044 1.00 0.00 C ATOM 558 CD1 ILE A 40 -2.011 -0.573 2.507 1.00 0.00 C ATOM 0 H ILE A 40 -0.881 -2.287 5.361 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.919 0.631 5.650 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.449 -1.013 5.771 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.673 -2.146 3.813 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.951 -1.069 3.288 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.580 0.961 4.491 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.864 1.426 6.053 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.011 1.801 4.537 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.158 -1.182 1.615 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.266 0.463 2.285 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.968 -0.631 2.818 1.00 0.00 H new ATOM 570 N THR A 41 -1.790 0.987 8.055 1.00 0.00 N ATOM 571 CA THR A 41 -2.012 1.385 9.541 1.00 0.00 C ATOM 572 C THR A 41 -2.926 2.641 9.734 1.00 0.00 C ATOM 573 O THR A 41 -3.664 2.695 10.782 1.00 0.00 O ATOM 574 CB THR A 41 -0.692 1.472 10.497 1.00 0.00 C ATOM 575 OG1 THR A 41 0.407 2.139 9.867 1.00 0.00 O ATOM 576 CG2 THR A 41 -0.257 0.100 11.019 1.00 0.00 C ATOM 0 H THR A 41 -1.720 1.807 7.452 1.00 0.00 H new ATOM 0 HA THR A 41 -2.550 0.508 9.902 1.00 0.00 H new ATOM 0 HB THR A 41 -0.995 2.076 11.352 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.170 2.165 10.482 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.625 0.213 11.649 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.066 -0.341 11.602 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.020 -0.551 10.178 1.00 0.00 H new ATOM 584 N LYS A 42 -2.932 3.656 8.676 1.00 0.00 N ATOM 585 CA LYS A 42 -3.761 4.903 8.753 1.00 0.00 C ATOM 586 C LYS A 42 -4.763 5.003 7.526 1.00 0.00 C ATOM 587 O LYS A 42 -4.357 4.858 6.331 1.00 0.00 O ATOM 588 CB LYS A 42 -2.803 6.199 8.949 1.00 0.00 C ATOM 589 CG LYS A 42 -3.334 7.398 9.817 1.00 0.00 C ATOM 590 CD LYS A 42 -3.965 8.546 9.004 1.00 0.00 C ATOM 591 CE LYS A 42 -4.498 9.626 9.926 1.00 0.00 C ATOM 592 NZ LYS A 42 -4.941 10.842 9.198 1.00 0.00 N ATOM 0 H LYS A 42 -2.377 3.581 7.824 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.402 4.866 9.634 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.868 5.857 9.393 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.563 6.587 7.959 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.074 7.020 10.522 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.508 7.798 10.405 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.222 8.971 8.329 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.774 8.158 8.385 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.335 9.227 10.499 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.723 9.900 10.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.657 11.689 9.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.501 10.862 8.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.976 10.828 9.097 1.00 0.00 H new ATOM 606 N ILE A 43 -6.104 5.160 7.913 1.00 0.00 N ATOM 607 CA ILE A 43 -7.287 5.407 7.009 1.00 0.00 C ATOM 608 C ILE A 43 -8.013 6.753 7.498 1.00 0.00 C ATOM 609 O ILE A 43 -8.364 6.889 8.718 1.00 0.00 O ATOM 610 CB ILE A 43 -8.343 4.020 6.868 1.00 0.00 C ATOM 611 CG1 ILE A 43 -7.650 2.659 6.224 1.00 0.00 C ATOM 612 CG2 ILE A 43 -9.814 4.245 6.243 1.00 0.00 C ATOM 613 CD1 ILE A 43 -6.956 2.703 4.786 1.00 0.00 C ATOM 0 H ILE A 43 -6.379 5.114 8.894 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.948 5.555 5.984 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.512 3.850 7.931 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.897 2.315 6.934 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -8.424 1.893 6.184 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -10.349 3.296 6.221 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -10.365 4.958 6.857 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.723 4.634 5.229 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.563 1.716 4.541 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.691 2.997 4.036 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.140 3.426 4.798 1.00 0.00 H new ATOM 625 N ILE A 44 -8.223 7.714 6.485 1.00 0.00 N ATOM 626 CA ILE A 44 -9.007 9.024 6.629 1.00 0.00 C ATOM 627 C ILE A 44 -10.646 8.728 6.417 1.00 0.00 C ATOM 628 O ILE A 44 -11.007 8.173 5.342 1.00 0.00 O ATOM 629 CB ILE A 44 -8.348 10.303 5.652 1.00 0.00 C ATOM 630 CG1 ILE A 44 -6.870 10.787 6.053 1.00 0.00 C ATOM 631 CG2 ILE A 44 -9.189 11.617 5.592 1.00 0.00 C ATOM 632 CD1 ILE A 44 -5.691 9.885 5.741 1.00 0.00 C ATOM 0 H ILE A 44 -7.847 7.591 5.545 1.00 0.00 H new ATOM 0 HA ILE A 44 -8.895 9.407 7.643 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.351 9.795 4.688 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.692 11.743 5.561 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -6.865 10.975 7.127 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.684 12.344 4.956 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -10.175 11.399 5.182 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -9.296 12.027 6.596 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.770 10.361 6.077 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.815 8.932 6.256 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.639 9.712 4.666 1.00 0.00 H new ATOM 644 N PRO A 45 -11.665 9.127 7.500 1.00 0.00 N ATOM 645 CA PRO A 45 -13.212 8.871 7.404 1.00 0.00 C ATOM 646 C PRO A 45 -14.028 9.580 6.174 1.00 0.00 C ATOM 647 O PRO A 45 -15.149 9.089 5.811 1.00 0.00 O ATOM 648 CB PRO A 45 -13.743 9.333 8.817 1.00 0.00 C ATOM 649 CG PRO A 45 -12.539 9.335 9.723 1.00 0.00 C ATOM 650 CD PRO A 45 -11.384 9.796 8.870 1.00 0.00 C ATOM 0 HA PRO A 45 -13.389 7.823 7.162 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -14.193 10.324 8.761 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -14.511 8.654 9.188 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -12.689 10.002 10.572 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -12.353 8.341 10.129 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -11.352 10.882 8.788 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -10.427 9.479 9.284 1.00 0.00 H new ATOM 658 N GLY A 46 -13.393 10.698 5.559 1.00 0.00 N ATOM 659 CA GLY A 46 -13.929 11.448 4.375 1.00 0.00 C ATOM 660 C GLY A 46 -12.908 11.711 3.225 1.00 0.00 C ATOM 661 O GLY A 46 -12.909 12.845 2.673 1.00 0.00 O ATOM 0 H GLY A 46 -12.505 11.072 5.895 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -14.773 10.892 3.967 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -14.316 12.407 4.720 1.00 0.00 H new ATOM 665 N GLY A 47 -12.013 10.632 2.881 1.00 0.00 N ATOM 666 CA GLY A 47 -11.048 10.629 1.700 1.00 0.00 C ATOM 667 C GLY A 47 -11.598 9.970 0.378 1.00 0.00 C ATOM 668 O GLY A 47 -12.775 9.526 0.322 1.00 0.00 O ATOM 0 H GLY A 47 -11.968 9.771 3.427 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -10.765 11.659 1.482 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.140 10.104 1.996 1.00 0.00 H new ATOM 672 N ALA A 48 -10.681 9.935 -0.691 1.00 0.00 N ATOM 673 CA ALA A 48 -10.917 9.421 -2.127 1.00 0.00 C ATOM 674 C ALA A 48 -10.823 7.821 -2.334 1.00 0.00 C ATOM 675 O ALA A 48 -11.631 7.266 -3.113 1.00 0.00 O ATOM 676 CB ALA A 48 -10.020 10.225 -3.139 1.00 0.00 C ATOM 0 H ALA A 48 -9.727 10.276 -0.570 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.968 9.617 -2.341 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -10.192 9.856 -4.150 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -10.276 11.283 -3.090 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.970 10.093 -2.879 1.00 0.00 H new ATOM 682 N ALA A 49 -9.808 7.103 -1.602 1.00 0.00 N ATOM 683 CA ALA A 49 -9.578 5.564 -1.608 1.00 0.00 C ATOM 684 C ALA A 49 -10.540 4.693 -0.634 1.00 0.00 C ATOM 685 O ALA A 49 -10.805 3.461 -0.927 1.00 0.00 O ATOM 686 CB ALA A 49 -8.100 5.257 -1.359 1.00 0.00 C ATOM 0 H ALA A 49 -9.141 7.588 -1.002 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.871 5.237 -2.606 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.947 4.178 -1.365 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.496 5.713 -2.144 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.803 5.661 -0.391 1.00 0.00 H new ATOM 692 N ALA A 50 -11.084 5.395 0.516 1.00 0.00 N ATOM 693 CA ALA A 50 -12.027 4.844 1.596 1.00 0.00 C ATOM 694 C ALA A 50 -13.587 4.913 1.202 1.00 0.00 C ATOM 695 O ALA A 50 -14.311 3.896 1.385 1.00 0.00 O ATOM 696 CB ALA A 50 -11.749 5.569 2.966 1.00 0.00 C ATOM 0 H ALA A 50 -10.853 6.374 0.687 1.00 0.00 H new ATOM 0 HA ALA A 50 -11.807 3.781 1.692 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -12.420 5.175 3.729 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -10.716 5.395 3.267 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -11.918 6.640 2.852 1.00 0.00 H new ATOM 702 N GLN A 51 -14.066 6.157 0.629 1.00 0.00 N ATOM 703 CA GLN A 51 -15.495 6.488 0.167 1.00 0.00 C ATOM 704 C GLN A 51 -15.804 6.150 -1.369 1.00 0.00 C ATOM 705 O GLN A 51 -16.813 5.439 -1.637 1.00 0.00 O ATOM 706 CB GLN A 51 -15.825 8.025 0.481 1.00 0.00 C ATOM 707 CG GLN A 51 -15.963 8.450 2.017 1.00 0.00 C ATOM 708 CD GLN A 51 -17.377 8.324 2.763 1.00 0.00 C ATOM 709 OE1 GLN A 51 -17.398 8.050 3.962 1.00 0.00 O ATOM 710 NE2 GLN A 51 -18.534 8.602 2.090 1.00 0.00 N ATOM 0 H GLN A 51 -13.434 6.946 0.488 1.00 0.00 H new ATOM 0 HA GLN A 51 -16.150 5.830 0.738 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -15.042 8.636 0.032 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -16.757 8.279 -0.024 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -15.245 7.857 2.583 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -15.648 9.491 2.094 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -18.504 8.828 1.096 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -19.427 8.584 2.582 1.00 0.00 H new ATOM 719 N ASP A 52 -14.883 6.664 -2.371 1.00 0.00 N ATOM 720 CA ASP A 52 -15.042 6.572 -3.878 1.00 0.00 C ATOM 721 C ASP A 52 -14.406 5.293 -4.601 1.00 0.00 C ATOM 722 O ASP A 52 -15.019 4.824 -5.621 1.00 0.00 O ATOM 723 CB ASP A 52 -14.592 7.931 -4.576 1.00 0.00 C ATOM 724 CG ASP A 52 -15.598 9.113 -4.482 1.00 0.00 C ATOM 725 OD1 ASP A 52 -15.511 9.899 -3.507 1.00 0.00 O ATOM 726 OD2 ASP A 52 -16.452 9.247 -5.393 1.00 0.00 O ATOM 0 H ASP A 52 -14.024 7.146 -2.105 1.00 0.00 H new ATOM 0 HA ASP A 52 -16.112 6.415 -4.018 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -13.648 8.248 -4.133 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -14.398 7.728 -5.629 1.00 0.00 H new ATOM 731 N GLY A 53 -13.197 4.684 -4.033 1.00 0.00 N ATOM 732 CA GLY A 53 -12.461 3.528 -4.709 1.00 0.00 C ATOM 733 C GLY A 53 -12.921 2.091 -4.354 1.00 0.00 C ATOM 734 O GLY A 53 -13.599 1.486 -5.194 1.00 0.00 O ATOM 0 H GLY A 53 -12.772 4.989 -3.157 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -12.551 3.655 -5.788 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -11.402 3.613 -4.466 1.00 0.00 H new ATOM 738 N ARG A 54 -12.555 1.567 -3.053 1.00 0.00 N ATOM 739 CA ARG A 54 -12.891 0.140 -2.362 1.00 0.00 C ATOM 740 C ARG A 54 -12.010 -0.178 -1.056 1.00 0.00 C ATOM 741 O ARG A 54 -12.504 -0.932 -0.147 1.00 0.00 O ATOM 742 CB ARG A 54 -12.816 -1.201 -3.317 1.00 0.00 C ATOM 743 CG ARG A 54 -14.127 -1.567 -4.099 1.00 0.00 C ATOM 744 CD ARG A 54 -14.023 -2.867 -4.957 1.00 0.00 C ATOM 745 NE ARG A 54 -14.086 -4.184 -4.148 1.00 0.00 N ATOM 746 CZ ARG A 54 -14.152 -5.524 -4.604 1.00 0.00 C ATOM 747 NH1 ARG A 54 -14.156 -5.891 -5.927 1.00 0.00 N ATOM 748 NH2 ARG A 54 -14.210 -6.489 -3.696 1.00 0.00 N ATOM 0 H ARG A 54 -11.995 2.141 -2.422 1.00 0.00 H new ATOM 0 HA ARG A 54 -13.937 0.311 -2.110 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -12.013 -1.062 -4.040 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -12.540 -2.051 -2.693 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -14.942 -1.682 -3.384 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.391 -0.735 -4.752 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -14.830 -2.868 -5.689 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.087 -2.844 -5.515 1.00 0.00 H new ATOM 0 HE ARG A 54 -14.079 -4.071 -3.134 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -14.109 -5.177 -6.654 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -14.205 -6.877 -6.183 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -14.206 -6.256 -2.703 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -14.258 -7.464 -3.991 1.00 0.00 H new ATOM 762 N LEU A 55 -10.727 0.498 -0.906 1.00 0.00 N ATOM 763 CA LEU A 55 -9.590 0.115 0.044 1.00 0.00 C ATOM 764 C LEU A 55 -9.865 0.267 1.630 1.00 0.00 C ATOM 765 O LEU A 55 -10.348 1.326 2.134 1.00 0.00 O ATOM 766 CB LEU A 55 -8.255 0.869 -0.472 1.00 0.00 C ATOM 767 CG LEU A 55 -6.825 0.648 0.190 1.00 0.00 C ATOM 768 CD1 LEU A 55 -5.964 -0.380 -0.551 1.00 0.00 C ATOM 769 CD2 LEU A 55 -6.153 1.972 0.255 1.00 0.00 C ATOM 0 H LEU A 55 -10.496 1.321 -1.462 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.473 -0.967 -0.011 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.149 0.622 -1.528 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.461 1.938 -0.414 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.960 0.230 1.188 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.003 -0.481 -0.046 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.473 -1.344 -0.558 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.802 -0.047 -1.576 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.167 1.858 0.705 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.048 2.376 -0.752 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.751 2.654 0.859 1.00 0.00 H new ATOM 781 N ARG A 56 -9.551 -0.911 2.318 1.00 0.00 N ATOM 782 CA ARG A 56 -9.494 -1.156 3.820 1.00 0.00 C ATOM 783 C ARG A 56 -7.983 -1.412 4.307 1.00 0.00 C ATOM 784 O ARG A 56 -7.117 -1.936 3.531 1.00 0.00 O ATOM 785 CB ARG A 56 -10.462 -2.372 4.275 1.00 0.00 C ATOM 786 CG ARG A 56 -11.961 -2.114 4.298 1.00 0.00 C ATOM 787 CD ARG A 56 -12.614 -3.359 4.808 1.00 0.00 C ATOM 788 NE ARG A 56 -14.117 -3.226 4.997 1.00 0.00 N ATOM 789 CZ ARG A 56 -15.069 -4.196 5.423 1.00 0.00 C ATOM 790 NH1 ARG A 56 -14.760 -5.495 5.745 1.00 0.00 N ATOM 791 NH2 ARG A 56 -16.339 -3.823 5.516 1.00 0.00 N ATOM 0 H ARG A 56 -9.319 -1.759 1.802 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.861 -0.252 4.306 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.277 -3.215 3.609 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.160 -2.684 5.275 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -12.196 -1.265 4.940 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -12.325 -1.869 3.300 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.415 -4.174 4.113 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -12.160 -3.633 5.760 1.00 0.00 H new ATOM 0 HE ARG A 56 -14.501 -2.304 4.787 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.795 -5.819 5.686 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -15.496 -6.135 6.043 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -16.608 -2.866 5.285 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -17.046 -4.493 5.818 1.00 0.00 H new ATOM 805 N VAL A 57 -7.706 -1.078 5.651 1.00 0.00 N ATOM 806 CA VAL A 57 -6.371 -1.209 6.463 1.00 0.00 C ATOM 807 C VAL A 57 -5.693 -2.714 6.509 1.00 0.00 C ATOM 808 O VAL A 57 -4.453 -2.861 6.707 1.00 0.00 O ATOM 809 CB VAL A 57 -6.631 -0.538 7.928 1.00 0.00 C ATOM 810 CG1 VAL A 57 -7.476 -1.232 9.015 1.00 0.00 C ATOM 811 CG2 VAL A 57 -5.568 0.355 8.436 1.00 0.00 C ATOM 0 H VAL A 57 -8.444 -0.688 6.237 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.589 -0.666 5.932 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.440 0.092 7.558 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.512 -0.603 9.904 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.488 -1.392 8.642 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.026 -2.192 9.268 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.853 0.740 9.415 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.635 -0.202 8.523 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.431 1.187 7.745 1.00 0.00 H new ATOM 821 N ASN A 58 -6.617 -3.741 6.332 1.00 0.00 N ATOM 822 CA ASN A 58 -6.386 -5.195 6.305 1.00 0.00 C ATOM 823 C ASN A 58 -6.108 -5.764 4.766 1.00 0.00 C ATOM 824 O ASN A 58 -5.987 -7.020 4.579 1.00 0.00 O ATOM 825 CB ASN A 58 -7.641 -5.854 7.091 1.00 0.00 C ATOM 826 CG ASN A 58 -7.505 -7.337 7.633 1.00 0.00 C ATOM 827 OD1 ASN A 58 -6.419 -7.815 8.030 1.00 0.00 O ATOM 828 ND2 ASN A 58 -8.625 -8.048 7.641 1.00 0.00 N ATOM 0 H ASN A 58 -7.605 -3.526 6.197 1.00 0.00 H new ATOM 0 HA ASN A 58 -5.465 -5.483 6.813 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -7.873 -5.212 7.940 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.502 -5.824 6.423 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -8.615 -9.011 7.977 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -9.496 -7.632 7.311 1.00 0.00 H new ATOM 835 N ASP A 59 -5.933 -4.767 3.676 1.00 0.00 N ATOM 836 CA ASP A 59 -5.643 -5.144 2.189 1.00 0.00 C ATOM 837 C ASP A 59 -4.112 -5.437 1.828 1.00 0.00 C ATOM 838 O ASP A 59 -3.831 -6.360 0.986 1.00 0.00 O ATOM 839 CB ASP A 59 -6.301 -4.132 1.163 1.00 0.00 C ATOM 840 CG ASP A 59 -7.801 -4.369 0.863 1.00 0.00 C ATOM 841 OD1 ASP A 59 -8.656 -3.873 1.628 1.00 0.00 O ATOM 842 OD2 ASP A 59 -8.104 -5.040 -0.153 1.00 0.00 O ATOM 0 H ASP A 59 -5.992 -3.761 3.833 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.136 -6.110 2.079 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.181 -3.120 1.550 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.748 -4.182 0.225 1.00 0.00 H new ATOM 847 N SER A 60 -3.089 -4.621 2.505 1.00 0.00 N ATOM 848 CA SER A 60 -1.500 -4.692 2.387 1.00 0.00 C ATOM 849 C SER A 60 -0.896 -4.808 0.912 1.00 0.00 C ATOM 850 O SER A 60 -1.159 -5.824 0.188 1.00 0.00 O ATOM 851 CB SER A 60 -0.852 -5.748 3.385 1.00 0.00 C ATOM 852 OG SER A 60 -1.144 -5.445 4.734 1.00 0.00 O ATOM 0 H SER A 60 -3.371 -3.888 3.156 1.00 0.00 H new ATOM 0 HA SER A 60 -1.196 -3.695 2.706 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.222 -6.746 3.149 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.228 -5.767 3.243 1.00 0.00 H new ATOM 0 HG SER A 60 -0.731 -6.116 5.317 1.00 0.00 H new ATOM 858 N ILE A 61 -0.053 -3.753 0.499 1.00 0.00 N ATOM 859 CA ILE A 61 0.551 -3.601 -0.936 1.00 0.00 C ATOM 860 C ILE A 61 1.929 -4.446 -1.071 1.00 0.00 C ATOM 861 O ILE A 61 2.854 -4.315 -0.215 1.00 0.00 O ATOM 862 CB ILE A 61 0.756 -1.977 -1.465 1.00 0.00 C ATOM 863 CG1 ILE A 61 -0.537 -1.033 -1.112 1.00 0.00 C ATOM 864 CG2 ILE A 61 1.013 -1.926 -3.073 1.00 0.00 C ATOM 865 CD1 ILE A 61 -0.311 0.525 -0.987 1.00 0.00 C ATOM 0 H ILE A 61 0.225 -3.000 1.128 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.196 -4.019 -1.611 1.00 0.00 H new ATOM 0 HB ILE A 61 1.622 -1.588 -0.929 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.291 -1.199 -1.881 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.959 -1.385 -0.171 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.140 -0.890 -3.388 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.912 -2.492 -3.316 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.159 -2.361 -3.592 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.257 1.012 -0.751 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.409 0.726 -0.193 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.072 0.914 -1.931 1.00 0.00 H new ATOM 877 N LEU A 62 1.974 -5.312 -2.202 1.00 0.00 N ATOM 878 CA LEU A 62 3.217 -6.038 -2.699 1.00 0.00 C ATOM 879 C LEU A 62 3.950 -5.267 -3.854 1.00 0.00 C ATOM 880 O LEU A 62 5.214 -5.193 -3.840 1.00 0.00 O ATOM 881 CB LEU A 62 2.971 -7.622 -3.044 1.00 0.00 C ATOM 882 CG LEU A 62 1.931 -8.113 -4.150 1.00 0.00 C ATOM 883 CD1 LEU A 62 2.325 -9.463 -4.615 1.00 0.00 C ATOM 884 CD2 LEU A 62 0.517 -8.208 -3.619 1.00 0.00 C ATOM 0 H LEU A 62 1.149 -5.507 -2.770 1.00 0.00 H new ATOM 0 HA LEU A 62 3.901 -6.040 -1.850 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.941 -8.033 -3.325 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.680 -8.102 -2.110 1.00 0.00 H new ATOM 0 HG LEU A 62 1.949 -7.378 -4.955 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.620 -9.807 -5.371 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.326 -9.422 -5.044 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.319 -10.154 -3.772 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.148 -8.547 -4.414 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.486 -8.918 -2.792 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.194 -7.228 -3.268 1.00 0.00 H new ATOM 896 N PHE A 63 3.097 -4.694 -4.878 1.00 0.00 N ATOM 897 CA PHE A 63 3.612 -3.976 -6.138 1.00 0.00 C ATOM 898 C PHE A 63 2.906 -2.628 -6.399 1.00 0.00 C ATOM 899 O PHE A 63 1.659 -2.577 -6.483 1.00 0.00 O ATOM 900 CB PHE A 63 3.602 -4.964 -7.452 1.00 0.00 C ATOM 901 CG PHE A 63 4.688 -6.116 -7.465 1.00 0.00 C ATOM 902 CD1 PHE A 63 4.506 -7.311 -6.754 1.00 0.00 C ATOM 903 CD2 PHE A 63 5.856 -5.966 -8.170 1.00 0.00 C ATOM 904 CE1 PHE A 63 5.449 -8.305 -6.756 1.00 0.00 C ATOM 905 CE2 PHE A 63 6.808 -6.946 -8.194 1.00 0.00 C ATOM 906 CZ PHE A 63 6.615 -8.133 -7.489 1.00 0.00 C ATOM 0 H PHE A 63 2.079 -4.731 -4.827 1.00 0.00 H new ATOM 0 HA PHE A 63 4.654 -3.722 -5.943 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.616 -5.421 -7.530 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.741 -4.352 -8.343 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.597 -7.452 -6.189 1.00 0.00 H new ATOM 0 HD2 PHE A 63 6.027 -5.052 -8.719 1.00 0.00 H new ATOM 0 HE1 PHE A 63 5.287 -9.212 -6.193 1.00 0.00 H new ATOM 0 HE2 PHE A 63 7.715 -6.800 -8.762 1.00 0.00 H new ATOM 0 HZ PHE A 63 7.365 -8.910 -7.513 1.00 0.00 H new ATOM 916 N VAL A 64 3.744 -1.488 -6.494 1.00 0.00 N ATOM 917 CA VAL A 64 3.185 -0.041 -6.695 1.00 0.00 C ATOM 918 C VAL A 64 3.717 0.631 -7.987 1.00 0.00 C ATOM 919 O VAL A 64 4.877 0.641 -8.191 1.00 0.00 O ATOM 920 CB VAL A 64 3.196 0.870 -5.322 1.00 0.00 C ATOM 921 CG1 VAL A 64 4.427 1.603 -4.768 1.00 0.00 C ATOM 922 CG2 VAL A 64 1.846 1.346 -4.830 1.00 0.00 C ATOM 0 H VAL A 64 4.761 -1.533 -6.438 1.00 0.00 H new ATOM 0 HA VAL A 64 2.116 -0.133 -6.889 1.00 0.00 H new ATOM 0 HB VAL A 64 3.553 -0.006 -4.781 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.156 2.128 -3.852 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.214 0.881 -4.553 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.785 2.321 -5.505 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.977 1.935 -3.922 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.375 1.961 -5.597 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.212 0.485 -4.616 1.00 0.00 H new ATOM 932 N ASN A 65 2.764 1.222 -8.870 1.00 0.00 N ATOM 933 CA ASN A 65 2.996 1.824 -10.364 1.00 0.00 C ATOM 934 C ASN A 65 3.184 0.602 -11.480 1.00 0.00 C ATOM 935 O ASN A 65 3.290 0.858 -12.715 1.00 0.00 O ATOM 936 CB ASN A 65 4.297 2.903 -10.452 1.00 0.00 C ATOM 937 CG ASN A 65 4.267 3.964 -11.593 1.00 0.00 C ATOM 938 OD1 ASN A 65 3.729 5.048 -11.424 1.00 0.00 O ATOM 939 ND2 ASN A 65 4.880 3.643 -12.736 1.00 0.00 N ATOM 0 H ASN A 65 1.788 1.310 -8.588 1.00 0.00 H new ATOM 0 HA ASN A 65 2.096 2.391 -10.603 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.362 3.432 -9.501 1.00 0.00 H new ATOM 0 HB3 ASN A 65 5.212 2.321 -10.556 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.910 4.313 -13.504 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.318 2.728 -12.840 1.00 0.00 H new ATOM 946 N GLU A 66 3.099 -0.743 -10.947 1.00 0.00 N ATOM 947 CA GLU A 66 3.584 -2.122 -11.522 1.00 0.00 C ATOM 948 C GLU A 66 5.148 -2.429 -11.134 1.00 0.00 C ATOM 949 O GLU A 66 5.774 -3.419 -11.653 1.00 0.00 O ATOM 950 CB GLU A 66 3.186 -2.468 -13.112 1.00 0.00 C ATOM 951 CG GLU A 66 1.647 -2.664 -13.477 1.00 0.00 C ATOM 952 CD GLU A 66 0.973 -4.001 -13.008 1.00 0.00 C ATOM 953 OE1 GLU A 66 0.996 -4.991 -13.782 1.00 0.00 O ATOM 954 OE2 GLU A 66 0.414 -4.029 -11.881 1.00 0.00 O ATOM 0 H GLU A 66 2.656 -0.886 -10.039 1.00 0.00 H new ATOM 0 HA GLU A 66 2.969 -2.854 -10.998 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.576 -1.664 -13.736 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.714 -3.378 -13.397 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.088 -1.833 -13.048 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.543 -2.593 -14.560 1.00 0.00 H new ATOM 961 N VAL A 67 5.724 -1.595 -10.060 1.00 0.00 N ATOM 962 CA VAL A 67 7.161 -1.644 -9.543 1.00 0.00 C ATOM 963 C VAL A 67 7.337 -2.593 -8.312 1.00 0.00 C ATOM 964 O VAL A 67 6.389 -2.720 -7.452 1.00 0.00 O ATOM 965 CB VAL A 67 7.954 -0.148 -9.320 1.00 0.00 C ATOM 966 CG1 VAL A 67 7.860 0.777 -10.474 1.00 0.00 C ATOM 967 CG2 VAL A 67 7.888 0.622 -7.910 1.00 0.00 C ATOM 0 H VAL A 67 5.164 -0.896 -9.571 1.00 0.00 H new ATOM 0 HA VAL A 67 7.691 -2.084 -10.388 1.00 0.00 H new ATOM 0 HB VAL A 67 8.965 -0.552 -9.262 1.00 0.00 H new ATOM 0 HG11 VAL A 67 8.391 1.701 -10.244 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.307 0.310 -11.352 1.00 0.00 H new ATOM 0 HG13 VAL A 67 6.813 1.002 -10.676 1.00 0.00 H new ATOM 0 HG21 VAL A 67 8.455 1.551 -7.976 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.850 0.847 -7.667 1.00 0.00 H new ATOM 0 HG23 VAL A 67 8.315 -0.009 -7.130 1.00 0.00 H new ATOM 977 N ASP A 68 8.646 -3.079 -8.176 1.00 0.00 N ATOM 978 CA ASP A 68 9.130 -4.001 -7.116 1.00 0.00 C ATOM 979 C ASP A 68 9.535 -3.284 -5.747 1.00 0.00 C ATOM 980 O ASP A 68 10.687 -2.759 -5.594 1.00 0.00 O ATOM 981 CB ASP A 68 10.127 -5.190 -7.628 1.00 0.00 C ATOM 982 CG ASP A 68 11.452 -4.774 -8.372 1.00 0.00 C ATOM 983 OD1 ASP A 68 11.423 -4.649 -9.618 1.00 0.00 O ATOM 984 OD2 ASP A 68 12.488 -4.594 -7.692 1.00 0.00 O ATOM 0 H ASP A 68 9.385 -2.817 -8.829 1.00 0.00 H new ATOM 0 HA ASP A 68 8.241 -4.566 -6.835 1.00 0.00 H new ATOM 0 HB2 ASP A 68 10.405 -5.789 -6.761 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.559 -5.838 -8.295 1.00 0.00 H new ATOM 989 N VAL A 69 8.481 -3.225 -4.808 1.00 0.00 N ATOM 990 CA VAL A 69 8.596 -2.639 -3.362 1.00 0.00 C ATOM 991 C VAL A 69 9.024 -3.680 -2.210 1.00 0.00 C ATOM 992 O VAL A 69 9.358 -3.266 -1.072 1.00 0.00 O ATOM 993 CB VAL A 69 7.436 -1.545 -2.891 1.00 0.00 C ATOM 994 CG1 VAL A 69 7.466 -0.263 -3.652 1.00 0.00 C ATOM 995 CG2 VAL A 69 5.969 -2.053 -2.692 1.00 0.00 C ATOM 0 H VAL A 69 7.546 -3.572 -5.020 1.00 0.00 H new ATOM 0 HA VAL A 69 9.475 -2.008 -3.491 1.00 0.00 H new ATOM 0 HB VAL A 69 7.772 -1.357 -1.871 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.679 0.396 -3.285 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.435 0.218 -3.517 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.306 -0.465 -4.711 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.334 -1.221 -2.385 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.597 -2.467 -3.629 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.952 -2.825 -1.923 1.00 0.00 H new ATOM 1005 N ARG A 70 9.090 -5.039 -2.609 1.00 0.00 N ATOM 1006 CA ARG A 70 9.508 -6.299 -1.749 1.00 0.00 C ATOM 1007 C ARG A 70 10.877 -6.198 -0.832 1.00 0.00 C ATOM 1008 O ARG A 70 10.987 -6.887 0.225 1.00 0.00 O ATOM 1009 CB ARG A 70 9.424 -7.675 -2.611 1.00 0.00 C ATOM 1010 CG ARG A 70 10.259 -7.815 -3.984 1.00 0.00 C ATOM 1011 CD ARG A 70 10.157 -9.223 -4.651 1.00 0.00 C ATOM 1012 NE ARG A 70 10.970 -10.328 -3.940 1.00 0.00 N ATOM 1013 CZ ARG A 70 11.158 -11.687 -4.295 1.00 0.00 C ATOM 1014 NH1 ARG A 70 10.607 -12.278 -5.403 1.00 0.00 N ATOM 1015 NH2 ARG A 70 11.916 -12.438 -3.506 1.00 0.00 N ATOM 0 H ARG A 70 8.849 -5.309 -3.563 1.00 0.00 H new ATOM 0 HA ARG A 70 8.741 -6.316 -0.975 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.737 -8.488 -1.956 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.374 -7.845 -2.850 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.905 -7.064 -4.690 1.00 0.00 H new ATOM 0 HG3 ARG A 70 11.308 -7.595 -3.783 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.109 -9.522 -4.681 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.496 -9.147 -5.684 1.00 0.00 H new ATOM 0 HE ARG A 70 11.443 -10.035 -3.085 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.019 -11.732 -6.033 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.785 -13.263 -5.597 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.343 -12.033 -2.673 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.072 -13.420 -3.733 1.00 0.00 H new ATOM 1029 N GLU A 71 11.873 -5.259 -1.296 1.00 0.00 N ATOM 1030 CA GLU A 71 13.234 -4.925 -0.675 1.00 0.00 C ATOM 1031 C GLU A 71 13.617 -3.415 -1.133 1.00 0.00 C ATOM 1032 O GLU A 71 14.383 -3.179 -2.138 1.00 0.00 O ATOM 1033 CB GLU A 71 14.379 -6.068 -1.027 1.00 0.00 C ATOM 1034 CG GLU A 71 15.698 -6.112 -0.150 1.00 0.00 C ATOM 1035 CD GLU A 71 16.703 -7.214 -0.558 1.00 0.00 C ATOM 1036 OE1 GLU A 71 16.613 -8.347 -0.011 1.00 0.00 O ATOM 1037 OE2 GLU A 71 17.597 -6.934 -1.402 1.00 0.00 O ATOM 0 H GLU A 71 11.712 -4.714 -2.143 1.00 0.00 H new ATOM 0 HA GLU A 71 13.186 -4.951 0.414 1.00 0.00 H new ATOM 0 HB2 GLU A 71 13.903 -7.046 -0.959 1.00 0.00 H new ATOM 0 HB3 GLU A 71 14.677 -5.930 -2.066 1.00 0.00 H new ATOM 0 HG2 GLU A 71 16.194 -5.144 -0.214 1.00 0.00 H new ATOM 0 HG3 GLU A 71 15.420 -6.259 0.894 1.00 0.00 H new ATOM 1044 N VAL A 72 12.927 -2.409 -0.420 1.00 0.00 N ATOM 1045 CA VAL A 72 13.078 -0.868 -0.584 1.00 0.00 C ATOM 1046 C VAL A 72 12.973 -0.122 0.846 1.00 0.00 C ATOM 1047 O VAL A 72 12.409 -0.689 1.800 1.00 0.00 O ATOM 1048 CB VAL A 72 12.029 -0.126 -1.756 1.00 0.00 C ATOM 1049 CG1 VAL A 72 12.092 -0.684 -3.182 1.00 0.00 C ATOM 1050 CG2 VAL A 72 10.525 0.176 -1.337 1.00 0.00 C ATOM 0 H VAL A 72 12.240 -2.648 0.295 1.00 0.00 H new ATOM 0 HA VAL A 72 14.078 -0.735 -0.997 1.00 0.00 H new ATOM 0 HB VAL A 72 12.518 0.848 -1.767 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.393 -0.140 -3.817 1.00 0.00 H new ATOM 0 HG12 VAL A 72 13.103 -0.569 -3.573 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.825 -1.741 -3.171 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.000 0.638 -2.173 1.00 0.00 H new ATOM 0 HG22 VAL A 72 10.028 -0.756 -1.067 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.514 0.853 -0.483 1.00 0.00 H new ATOM 1060 N THR A 73 13.466 1.204 0.882 1.00 0.00 N ATOM 1061 CA THR A 73 13.235 2.268 2.016 1.00 0.00 C ATOM 1062 C THR A 73 11.765 2.952 1.912 1.00 0.00 C ATOM 1063 O THR A 73 11.086 2.798 0.858 1.00 0.00 O ATOM 1064 CB THR A 73 14.375 3.430 2.043 1.00 0.00 C ATOM 1065 OG1 THR A 73 14.769 3.898 0.735 1.00 0.00 O ATOM 1066 CG2 THR A 73 15.592 3.069 2.875 1.00 0.00 C ATOM 0 H THR A 73 14.039 1.575 0.124 1.00 0.00 H new ATOM 0 HA THR A 73 13.305 1.711 2.951 1.00 0.00 H new ATOM 0 HB THR A 73 13.878 4.263 2.540 1.00 0.00 H new ATOM 0 HG1 THR A 73 15.453 4.594 0.829 1.00 0.00 H new ATOM 0 HG21 THR A 73 16.309 3.890 2.847 1.00 0.00 H new ATOM 0 HG22 THR A 73 15.287 2.889 3.906 1.00 0.00 H new ATOM 0 HG23 THR A 73 16.055 2.169 2.471 1.00 0.00 H new ATOM 1074 N HIS A 74 11.281 3.697 3.051 1.00 0.00 N ATOM 1075 CA HIS A 74 9.917 4.530 3.130 1.00 0.00 C ATOM 1076 C HIS A 74 9.705 5.580 1.907 1.00 0.00 C ATOM 1077 O HIS A 74 8.730 5.433 1.076 1.00 0.00 O ATOM 1078 CB HIS A 74 9.656 5.185 4.619 1.00 0.00 C ATOM 1079 CG HIS A 74 10.601 6.343 5.160 1.00 0.00 C ATOM 1080 ND1 HIS A 74 11.880 6.141 5.661 1.00 0.00 N ATOM 1081 CD2 HIS A 74 10.393 7.693 5.234 1.00 0.00 C ATOM 1082 CE1 HIS A 74 12.412 7.318 6.016 1.00 0.00 C ATOM 1083 NE2 HIS A 74 11.529 8.264 5.766 1.00 0.00 N ATOM 0 H HIS A 74 11.809 3.740 3.923 1.00 0.00 H new ATOM 0 HA HIS A 74 9.125 3.795 2.986 1.00 0.00 H new ATOM 0 HB2 HIS A 74 8.636 5.569 4.629 1.00 0.00 H new ATOM 0 HB3 HIS A 74 9.697 4.370 5.342 1.00 0.00 H new ATOM 0 HD2 HIS A 74 9.499 8.217 4.930 1.00 0.00 H new ATOM 0 HE1 HIS A 74 13.396 7.466 6.435 1.00 0.00 H new ATOM 0 HE2 HIS A 74 11.665 9.260 5.939 1.00 0.00 H new ATOM 1092 N SER A 75 10.814 6.489 1.716 1.00 0.00 N ATOM 1093 CA SER A 75 10.963 7.570 0.597 1.00 0.00 C ATOM 1094 C SER A 75 10.886 6.980 -0.903 1.00 0.00 C ATOM 1095 O SER A 75 10.150 7.525 -1.740 1.00 0.00 O ATOM 1096 CB SER A 75 12.243 8.490 0.835 1.00 0.00 C ATOM 1097 OG SER A 75 13.475 7.749 0.944 1.00 0.00 O ATOM 0 H SER A 75 11.619 6.478 2.342 1.00 0.00 H new ATOM 0 HA SER A 75 10.084 8.209 0.683 1.00 0.00 H new ATOM 0 HB2 SER A 75 12.328 9.200 0.012 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.097 9.072 1.745 1.00 0.00 H new ATOM 0 HG SER A 75 14.219 8.371 1.087 1.00 0.00 H new ATOM 1103 N ALA A 76 11.530 5.699 -1.083 1.00 0.00 N ATOM 1104 CA ALA A 76 11.574 4.810 -2.325 1.00 0.00 C ATOM 1105 C ALA A 76 10.148 4.129 -2.715 1.00 0.00 C ATOM 1106 O ALA A 76 9.923 3.789 -3.922 1.00 0.00 O ATOM 1107 CB ALA A 76 12.663 3.748 -2.096 1.00 0.00 C ATOM 0 H ALA A 76 12.044 5.272 -0.312 1.00 0.00 H new ATOM 0 HA ALA A 76 11.809 5.438 -3.185 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.722 3.094 -2.966 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.624 4.239 -1.946 1.00 0.00 H new ATOM 0 HB3 ALA A 76 12.415 3.157 -1.214 1.00 0.00 H new ATOM 1113 N ALA A 77 9.174 3.994 -1.634 1.00 0.00 N ATOM 1114 CA ALA A 77 7.731 3.499 -1.758 1.00 0.00 C ATOM 1115 C ALA A 77 6.679 4.681 -2.030 1.00 0.00 C ATOM 1116 O ALA A 77 5.699 4.469 -2.792 1.00 0.00 O ATOM 1117 CB ALA A 77 7.353 2.664 -0.510 1.00 0.00 C ATOM 0 H ALA A 77 9.413 4.237 -0.672 1.00 0.00 H new ATOM 0 HA ALA A 77 7.678 2.860 -2.639 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.325 2.314 -0.604 1.00 0.00 H new ATOM 0 HB2 ALA A 77 8.022 1.807 -0.429 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.446 3.282 0.383 1.00 0.00 H new ATOM 1123 N VAL A 78 6.961 5.960 -1.411 1.00 0.00 N ATOM 1124 CA VAL A 78 6.132 7.313 -1.558 1.00 0.00 C ATOM 1125 C VAL A 78 6.365 8.006 -3.027 1.00 0.00 C ATOM 1126 O VAL A 78 5.383 8.416 -3.667 1.00 0.00 O ATOM 1127 CB VAL A 78 6.421 8.356 -0.242 1.00 0.00 C ATOM 1128 CG1 VAL A 78 5.704 9.747 -0.261 1.00 0.00 C ATOM 1129 CG2 VAL A 78 5.982 7.717 1.062 1.00 0.00 C ATOM 0 H VAL A 78 7.768 6.079 -0.798 1.00 0.00 H new ATOM 0 HA VAL A 78 5.069 7.076 -1.519 1.00 0.00 H new ATOM 0 HB VAL A 78 7.494 8.525 -0.330 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.975 10.308 0.633 1.00 0.00 H new ATOM 0 HG12 VAL A 78 6.013 10.303 -1.146 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.624 9.599 -0.283 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.177 8.402 1.887 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.916 7.496 1.018 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.538 6.793 1.219 1.00 0.00 H new ATOM 1139 N GLU A 79 7.699 8.022 -3.515 1.00 0.00 N ATOM 1140 CA GLU A 79 8.245 8.581 -4.878 1.00 0.00 C ATOM 1141 C GLU A 79 7.749 7.815 -6.159 1.00 0.00 C ATOM 1142 O GLU A 79 7.785 8.378 -7.241 1.00 0.00 O ATOM 1143 CB GLU A 79 9.827 8.687 -4.866 1.00 0.00 C ATOM 1144 CG GLU A 79 10.443 9.855 -4.006 1.00 0.00 C ATOM 1145 CD GLU A 79 10.540 11.273 -4.677 1.00 0.00 C ATOM 1146 OE1 GLU A 79 11.586 11.570 -5.309 1.00 0.00 O ATOM 1147 OE2 GLU A 79 9.577 12.071 -4.538 1.00 0.00 O ATOM 0 H GLU A 79 8.455 7.632 -2.952 1.00 0.00 H new ATOM 0 HA GLU A 79 7.814 9.579 -4.956 1.00 0.00 H new ATOM 0 HB2 GLU A 79 10.230 7.743 -4.499 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.170 8.802 -5.894 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.850 9.952 -3.096 1.00 0.00 H new ATOM 0 HG3 GLU A 79 11.446 9.557 -3.702 1.00 0.00 H new ATOM 1154 N ALA A 80 7.236 6.493 -5.940 1.00 0.00 N ATOM 1155 CA ALA A 80 6.467 5.610 -6.926 1.00 0.00 C ATOM 1156 C ALA A 80 4.930 6.100 -7.126 1.00 0.00 C ATOM 1157 O ALA A 80 4.341 5.899 -8.230 1.00 0.00 O ATOM 1158 CB ALA A 80 6.563 4.123 -6.503 1.00 0.00 C ATOM 0 H ALA A 80 7.364 6.026 -5.042 1.00 0.00 H new ATOM 0 HA ALA A 80 6.937 5.711 -7.904 1.00 0.00 H new ATOM 0 HB1 ALA A 80 6.012 3.506 -7.213 1.00 0.00 H new ATOM 0 HB2 ALA A 80 7.609 3.815 -6.490 1.00 0.00 H new ATOM 0 HB3 ALA A 80 6.136 4.000 -5.508 1.00 0.00 H new ATOM 1164 N LEU A 81 4.334 6.800 -5.994 1.00 0.00 N ATOM 1165 CA LEU A 81 2.936 7.441 -5.925 1.00 0.00 C ATOM 1166 C LEU A 81 2.926 8.964 -6.348 1.00 0.00 C ATOM 1167 O LEU A 81 1.960 9.428 -7.000 1.00 0.00 O ATOM 1168 CB LEU A 81 2.265 7.246 -4.473 1.00 0.00 C ATOM 1169 CG LEU A 81 2.024 5.800 -3.974 1.00 0.00 C ATOM 1170 CD1 LEU A 81 2.461 5.681 -2.554 1.00 0.00 C ATOM 1171 CD2 LEU A 81 0.575 5.337 -4.172 1.00 0.00 C ATOM 0 H LEU A 81 4.845 6.914 -5.119 1.00 0.00 H new ATOM 0 HA LEU A 81 2.331 6.909 -6.659 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.897 7.751 -3.742 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.305 7.763 -4.476 1.00 0.00 H new ATOM 0 HG LEU A 81 2.627 5.128 -4.584 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.290 4.663 -2.205 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.522 5.917 -2.479 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.890 6.376 -1.938 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.466 4.317 -3.804 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.096 5.996 -3.620 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.324 5.369 -5.232 1.00 0.00 H new ATOM 1183 N LYS A 82 4.090 9.714 -5.986 1.00 0.00 N ATOM 1184 CA LYS A 82 4.399 11.178 -6.305 1.00 0.00 C ATOM 1185 C LYS A 82 4.921 11.405 -7.811 1.00 0.00 C ATOM 1186 O LYS A 82 4.730 12.529 -8.377 1.00 0.00 O ATOM 1187 CB LYS A 82 5.390 11.801 -5.238 1.00 0.00 C ATOM 1188 CG LYS A 82 4.778 12.067 -3.768 1.00 0.00 C ATOM 1189 CD LYS A 82 5.763 12.812 -2.749 1.00 0.00 C ATOM 1190 CE LYS A 82 5.792 14.413 -2.789 1.00 0.00 C ATOM 1191 NZ LYS A 82 4.538 15.071 -2.257 1.00 0.00 N ATOM 0 H LYS A 82 4.843 9.282 -5.451 1.00 0.00 H new ATOM 0 HA LYS A 82 3.452 11.713 -6.238 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.247 11.136 -5.137 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.765 12.747 -5.629 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.870 12.661 -3.871 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.486 11.111 -3.334 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.496 12.505 -1.738 1.00 0.00 H new ATOM 0 HD3 LYS A 82 6.775 12.452 -2.935 1.00 0.00 H new ATOM 0 HE2 LYS A 82 6.646 14.764 -2.210 1.00 0.00 H new ATOM 0 HE3 LYS A 82 5.950 14.736 -3.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.636 16.105 -2.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.720 14.767 -2.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 4.395 14.794 -1.265 1.00 0.00 H new ATOM 1205 N GLU A 83 5.557 10.260 -8.463 1.00 0.00 N ATOM 1206 CA GLU A 83 6.019 10.218 -9.968 1.00 0.00 C ATOM 1207 C GLU A 83 4.904 10.187 -11.098 1.00 0.00 C ATOM 1208 O GLU A 83 5.032 10.942 -12.113 1.00 0.00 O ATOM 1209 CB GLU A 83 7.201 9.217 -10.254 1.00 0.00 C ATOM 1210 CG GLU A 83 6.971 7.620 -10.284 1.00 0.00 C ATOM 1211 CD GLU A 83 8.242 6.792 -10.567 1.00 0.00 C ATOM 1212 OE1 GLU A 83 8.524 6.508 -11.761 1.00 0.00 O ATOM 1213 OE2 GLU A 83 8.939 6.403 -9.591 1.00 0.00 O ATOM 0 H GLU A 83 5.747 9.389 -7.967 1.00 0.00 H new ATOM 0 HA GLU A 83 6.413 11.229 -10.068 1.00 0.00 H new ATOM 0 HB2 GLU A 83 7.622 9.494 -11.220 1.00 0.00 H new ATOM 0 HB3 GLU A 83 7.968 9.412 -9.504 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.556 7.308 -9.325 1.00 0.00 H new ATOM 0 HG3 GLU A 83 6.226 7.388 -11.045 1.00 0.00 H new ATOM 1220 N ALA A 84 3.772 9.305 -10.864 1.00 0.00 N ATOM 1221 CA ALA A 84 2.611 9.046 -11.837 1.00 0.00 C ATOM 1222 C ALA A 84 1.703 10.348 -12.180 1.00 0.00 C ATOM 1223 O ALA A 84 1.049 10.425 -13.267 1.00 0.00 O ATOM 1224 CB ALA A 84 1.801 7.863 -11.317 1.00 0.00 C ATOM 0 H ALA A 84 3.675 8.778 -9.996 1.00 0.00 H new ATOM 0 HA ALA A 84 3.038 8.798 -12.809 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.971 7.664 -11.995 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.440 6.982 -11.257 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.411 8.096 -10.326 1.00 0.00 H new ATOM 1230 N GLY A 85 1.767 11.363 -11.184 1.00 0.00 N ATOM 1231 CA GLY A 85 1.241 12.774 -11.235 1.00 0.00 C ATOM 1232 C GLY A 85 -0.245 13.089 -11.036 1.00 0.00 C ATOM 1233 O GLY A 85 -0.570 14.147 -10.437 1.00 0.00 O ATOM 0 H GLY A 85 2.218 11.175 -10.289 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.787 13.342 -10.482 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.522 13.180 -12.206 1.00 0.00 H new ATOM 1237 N SER A 86 -1.155 12.128 -11.534 1.00 0.00 N ATOM 1238 CA SER A 86 -2.677 12.269 -11.677 1.00 0.00 C ATOM 1239 C SER A 86 -3.405 10.853 -11.697 1.00 0.00 C ATOM 1240 O SER A 86 -4.568 10.773 -11.250 1.00 0.00 O ATOM 1241 CB SER A 86 -2.992 13.089 -13.028 1.00 0.00 C ATOM 1242 OG SER A 86 -4.362 13.505 -13.169 1.00 0.00 O ATOM 0 H SER A 86 -0.831 11.215 -11.852 1.00 0.00 H new ATOM 0 HA SER A 86 -3.064 12.808 -10.812 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.353 13.971 -13.060 1.00 0.00 H new ATOM 0 HB3 SER A 86 -2.724 12.470 -13.884 1.00 0.00 H new ATOM 0 HG SER A 86 -4.470 13.996 -14.010 1.00 0.00 H new ATOM 1248 N ILE A 87 -2.681 9.739 -12.252 1.00 0.00 N ATOM 1249 CA ILE A 87 -3.245 8.324 -12.485 1.00 0.00 C ATOM 1250 C ILE A 87 -2.229 7.282 -11.879 1.00 0.00 C ATOM 1251 O ILE A 87 -1.184 6.931 -12.515 1.00 0.00 O ATOM 1252 CB ILE A 87 -3.704 8.016 -14.131 1.00 0.00 C ATOM 1253 CG1 ILE A 87 -4.659 9.183 -14.826 1.00 0.00 C ATOM 1254 CG2 ILE A 87 -4.269 6.544 -14.446 1.00 0.00 C ATOM 1255 CD1 ILE A 87 -6.078 9.563 -14.212 1.00 0.00 C ATOM 0 H ILE A 87 -1.705 9.821 -12.538 1.00 0.00 H new ATOM 0 HA ILE A 87 -4.195 8.222 -11.960 1.00 0.00 H new ATOM 0 HB ILE A 87 -2.732 8.068 -14.621 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -4.070 10.100 -14.856 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -4.830 8.880 -15.859 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -4.522 6.470 -15.504 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -3.508 5.802 -14.202 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -5.160 6.360 -13.846 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -6.538 10.346 -14.815 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -6.721 8.683 -14.209 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -5.948 9.921 -13.191 1.00 0.00 H new ATOM 1267 N VAL A 88 -2.616 6.819 -10.628 1.00 0.00 N ATOM 1268 CA VAL A 88 -1.837 5.859 -9.749 1.00 0.00 C ATOM 1269 C VAL A 88 -2.465 4.376 -9.675 1.00 0.00 C ATOM 1270 O VAL A 88 -3.664 4.210 -9.346 1.00 0.00 O ATOM 1271 CB VAL A 88 -1.459 6.577 -8.335 1.00 0.00 C ATOM 1272 CG1 VAL A 88 -2.361 6.593 -7.047 1.00 0.00 C ATOM 1273 CG2 VAL A 88 -0.013 6.842 -8.145 1.00 0.00 C ATOM 0 H VAL A 88 -3.494 7.110 -10.198 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.881 5.640 -10.224 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.049 7.450 -8.612 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -1.855 7.146 -6.255 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.312 7.074 -7.275 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.542 5.570 -6.717 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.145 7.321 -7.179 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.537 5.901 -8.178 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.344 7.499 -8.938 1.00 0.00 H new ATOM 1283 N ARG A 89 -1.565 3.352 -9.989 1.00 0.00 N ATOM 1284 CA ARG A 89 -1.899 1.833 -10.071 1.00 0.00 C ATOM 1285 C ARG A 89 -1.159 0.914 -8.987 1.00 0.00 C ATOM 1286 O ARG A 89 0.025 0.544 -9.150 1.00 0.00 O ATOM 1287 CB ARG A 89 -1.929 1.217 -11.614 1.00 0.00 C ATOM 1288 CG ARG A 89 -0.691 1.363 -12.537 1.00 0.00 C ATOM 1289 CD ARG A 89 -1.013 0.698 -13.839 1.00 0.00 C ATOM 1290 NE ARG A 89 0.137 0.745 -14.836 1.00 0.00 N ATOM 1291 CZ ARG A 89 0.216 0.230 -16.162 1.00 0.00 C ATOM 1292 NH1 ARG A 89 -0.803 -0.437 -16.794 1.00 0.00 N ATOM 1293 NH2 ARG A 89 1.349 0.404 -16.832 1.00 0.00 N ATOM 0 H ARG A 89 -0.585 3.545 -10.194 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.941 1.784 -9.755 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.148 0.152 -11.533 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -2.772 1.677 -12.129 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.453 2.415 -12.694 1.00 0.00 H new ATOM 0 HG3 ARG A 89 0.184 0.903 -12.079 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -1.281 -0.342 -13.652 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -1.887 1.179 -14.279 1.00 0.00 H new ATOM 0 HE ARG A 89 0.978 1.217 -14.504 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -1.688 -0.591 -16.311 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -0.675 -0.779 -17.747 1.00 0.00 H new ATOM 0 HH21 ARG A 89 2.130 0.894 -16.395 1.00 0.00 H new ATOM 0 HH22 ARG A 89 1.439 0.048 -17.783 1.00 0.00 H new ATOM 1307 N LEU A 90 -1.949 0.574 -7.873 1.00 0.00 N ATOM 1308 CA LEU A 90 -1.563 -0.291 -6.673 1.00 0.00 C ATOM 1309 C LEU A 90 -2.077 -1.805 -6.782 1.00 0.00 C ATOM 1310 O LEU A 90 -3.225 -2.061 -7.261 1.00 0.00 O ATOM 1311 CB LEU A 90 -2.007 0.449 -5.228 1.00 0.00 C ATOM 1312 CG LEU A 90 -3.516 0.837 -4.769 1.00 0.00 C ATOM 1313 CD1 LEU A 90 -4.363 1.724 -5.647 1.00 0.00 C ATOM 1314 CD2 LEU A 90 -4.246 -0.312 -4.158 1.00 0.00 C ATOM 0 H LEU A 90 -2.908 0.913 -7.793 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.476 -0.370 -6.680 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.617 -0.193 -4.438 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.441 1.380 -5.190 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.306 1.563 -3.984 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.337 1.874 -5.181 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.869 2.687 -5.775 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.496 1.252 -6.621 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.248 0.005 -3.870 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.316 -1.125 -4.881 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.708 -0.657 -3.275 1.00 0.00 H new ATOM 1326 N TYR A 91 -1.165 -2.779 -6.308 1.00 0.00 N ATOM 1327 CA TYR A 91 -1.381 -4.283 -6.262 1.00 0.00 C ATOM 1328 C TYR A 91 -1.262 -4.828 -4.793 1.00 0.00 C ATOM 1329 O TYR A 91 -0.117 -4.855 -4.183 1.00 0.00 O ATOM 1330 CB TYR A 91 -0.396 -5.059 -7.316 1.00 0.00 C ATOM 1331 CG TYR A 91 -0.702 -6.574 -7.709 1.00 0.00 C ATOM 1332 CD1 TYR A 91 -1.952 -7.000 -8.207 1.00 0.00 C ATOM 1333 CD2 TYR A 91 0.279 -7.529 -7.557 1.00 0.00 C ATOM 1334 CE1 TYR A 91 -2.195 -8.288 -8.528 1.00 0.00 C ATOM 1335 CE2 TYR A 91 0.053 -8.845 -7.876 1.00 0.00 C ATOM 1336 CZ TYR A 91 -1.188 -9.231 -8.366 1.00 0.00 C ATOM 1337 OH TYR A 91 -1.413 -10.548 -8.701 1.00 0.00 O ATOM 0 H TYR A 91 -0.249 -2.514 -5.945 1.00 0.00 H new ATOM 0 HA TYR A 91 -2.400 -4.493 -6.587 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -0.383 -4.479 -8.239 1.00 0.00 H new ATOM 0 HB3 TYR A 91 0.613 -5.026 -6.905 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -2.739 -6.272 -8.335 1.00 0.00 H new ATOM 0 HD2 TYR A 91 1.247 -7.236 -7.179 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -3.162 -8.583 -8.907 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.837 -9.577 -7.747 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.604 -11.073 -8.527 1.00 0.00 H new ATOM 1347 N VAL A 92 -2.485 -5.310 -4.302 1.00 0.00 N ATOM 1348 CA VAL A 92 -2.783 -5.816 -2.852 1.00 0.00 C ATOM 1349 C VAL A 92 -2.972 -7.453 -2.704 1.00 0.00 C ATOM 1350 O VAL A 92 -3.356 -8.152 -3.705 1.00 0.00 O ATOM 1351 CB VAL A 92 -4.024 -4.960 -2.093 1.00 0.00 C ATOM 1352 CG1 VAL A 92 -3.752 -3.443 -1.936 1.00 0.00 C ATOM 1353 CG2 VAL A 92 -5.441 -5.204 -2.704 1.00 0.00 C ATOM 0 H VAL A 92 -3.310 -5.364 -4.900 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.863 -5.594 -2.311 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.029 -5.388 -1.091 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.600 -2.971 -1.439 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.852 -3.295 -1.339 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.612 -2.995 -2.920 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.179 -4.617 -2.158 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.442 -4.904 -3.752 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.692 -6.262 -2.629 1.00 0.00 H new ATOM 1363 N MET A 93 -2.781 -7.955 -1.380 1.00 0.00 N ATOM 1364 CA MET A 93 -2.813 -9.449 -0.925 1.00 0.00 C ATOM 1365 C MET A 93 -3.853 -9.770 0.254 1.00 0.00 C ATOM 1366 O MET A 93 -3.754 -9.203 1.380 1.00 0.00 O ATOM 1367 CB MET A 93 -1.302 -10.127 -0.728 1.00 0.00 C ATOM 1368 CG MET A 93 -0.263 -9.564 0.341 1.00 0.00 C ATOM 1369 SD MET A 93 -0.638 -10.007 2.058 1.00 0.00 S ATOM 1370 CE MET A 93 0.811 -9.370 2.895 1.00 0.00 C ATOM 0 H MET A 93 -2.600 -7.325 -0.599 1.00 0.00 H new ATOM 0 HA MET A 93 -3.236 -9.980 -1.778 1.00 0.00 H new ATOM 0 HB2 MET A 93 -1.457 -11.180 -0.493 1.00 0.00 H new ATOM 0 HB3 MET A 93 -0.809 -10.086 -1.699 1.00 0.00 H new ATOM 0 HG2 MET A 93 0.732 -9.934 0.092 1.00 0.00 H new ATOM 0 HG3 MET A 93 -0.229 -8.478 0.258 1.00 0.00 H new ATOM 0 HE1 MET A 93 0.729 -9.566 3.964 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.702 -9.860 2.503 1.00 0.00 H new ATOM 0 HE3 MET A 93 0.885 -8.295 2.728 1.00 0.00 H new ATOM 1380 N ARG A 94 -4.857 -10.705 -0.086 1.00 0.00 N ATOM 1381 CA ARG A 94 -5.992 -11.253 0.795 1.00 0.00 C ATOM 1382 C ARG A 94 -5.986 -12.855 0.805 1.00 0.00 C ATOM 1383 O ARG A 94 -5.378 -13.505 -0.095 1.00 0.00 O ATOM 1384 CB ARG A 94 -7.451 -10.698 0.331 1.00 0.00 C ATOM 1385 CG ARG A 94 -7.840 -9.268 0.764 1.00 0.00 C ATOM 1386 CD ARG A 94 -9.271 -8.950 0.318 1.00 0.00 C ATOM 1387 NE ARG A 94 -9.760 -7.595 0.803 1.00 0.00 N ATOM 1388 CZ ARG A 94 -11.059 -7.016 0.717 1.00 0.00 C ATOM 1389 NH1 ARG A 94 -12.144 -7.632 0.139 1.00 0.00 N ATOM 1390 NH2 ARG A 94 -11.239 -5.806 1.227 1.00 0.00 N ATOM 0 H ARG A 94 -4.891 -11.108 -1.022 1.00 0.00 H new ATOM 0 HA ARG A 94 -5.809 -10.893 1.807 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -7.498 -10.745 -0.757 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -8.208 -11.383 0.713 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -7.760 -9.174 1.847 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -7.147 -8.548 0.329 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -9.321 -8.979 -0.770 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -9.941 -9.725 0.689 1.00 0.00 H new ATOM 0 HE ARG A 94 -9.054 -7.015 1.257 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -12.047 -8.564 -0.264 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -13.046 -7.157 0.113 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -10.459 -5.316 1.665 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -12.157 -5.365 1.181 1.00 0.00 H new ATOM 1404 N ARG A 95 -6.638 -13.457 1.900 1.00 0.00 N ATOM 1405 CA ARG A 95 -6.893 -14.964 2.115 1.00 0.00 C ATOM 1406 C ARG A 95 -8.376 -15.429 1.746 1.00 0.00 C ATOM 1407 O ARG A 95 -9.351 -14.615 1.828 1.00 0.00 O ATOM 1408 CB ARG A 95 -6.462 -15.469 3.560 1.00 0.00 C ATOM 1409 CG ARG A 95 -4.952 -15.797 3.735 1.00 0.00 C ATOM 1410 CD ARG A 95 -4.677 -16.614 5.011 1.00 0.00 C ATOM 1411 NE ARG A 95 -4.897 -18.138 4.855 1.00 0.00 N ATOM 1412 CZ ARG A 95 -4.755 -19.177 5.812 1.00 0.00 C ATOM 1413 NH1 ARG A 95 -4.370 -18.978 7.114 1.00 0.00 N ATOM 1414 NH2 ARG A 95 -5.011 -20.419 5.426 1.00 0.00 N ATOM 0 H ARG A 95 -7.006 -12.896 2.669 1.00 0.00 H new ATOM 0 HA ARG A 95 -6.236 -15.455 1.397 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -6.736 -14.706 4.289 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -7.039 -16.362 3.800 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -4.600 -16.354 2.867 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -4.382 -14.868 3.771 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -3.648 -16.438 5.326 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -5.322 -16.246 5.809 1.00 0.00 H new ATOM 0 HE ARG A 95 -5.187 -18.441 3.925 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -4.166 -18.036 7.447 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -4.288 -19.772 7.749 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -5.300 -20.605 4.466 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -4.918 -21.188 6.089 1.00 0.00 H new ATOM 1428 N LYS A 96 -8.494 -16.792 1.346 1.00 0.00 N ATOM 1429 CA LYS A 96 -9.785 -17.523 0.885 1.00 0.00 C ATOM 1430 C LYS A 96 -10.701 -18.112 2.122 1.00 0.00 C ATOM 1431 O LYS A 96 -10.123 -18.849 2.993 1.00 0.00 O ATOM 1432 CB LYS A 96 -9.494 -18.670 -0.187 1.00 0.00 C ATOM 1433 CG LYS A 96 -9.126 -18.224 -1.631 1.00 0.00 C ATOM 1434 CD LYS A 96 -8.831 -19.443 -2.560 1.00 0.00 C ATOM 1435 CE LYS A 96 -8.475 -19.065 -4.040 1.00 0.00 C ATOM 1436 NZ LYS A 96 -9.657 -18.618 -4.886 1.00 0.00 N ATOM 0 H LYS A 96 -7.684 -17.412 1.338 1.00 0.00 H new ATOM 0 HA LYS A 96 -10.374 -16.744 0.401 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -8.680 -19.287 0.193 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -10.376 -19.308 -0.246 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -9.944 -17.638 -2.050 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -8.252 -17.573 -1.598 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.005 -20.015 -2.136 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -9.702 -20.098 -2.566 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -7.733 -18.267 -4.028 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -8.009 -19.927 -4.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -9.330 -18.389 -5.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -10.359 -19.384 -4.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -10.091 -17.776 -4.458 1.00 0.00 H new ATOM 1450 N PRO A 97 -12.201 -17.741 2.265 1.00 0.00 N ATOM 1451 CA PRO A 97 -13.131 -18.325 3.366 1.00 0.00 C ATOM 1452 C PRO A 97 -13.616 -19.918 3.165 1.00 0.00 C ATOM 1453 O PRO A 97 -13.885 -20.306 1.982 1.00 0.00 O ATOM 1454 CB PRO A 97 -14.369 -17.344 3.372 1.00 0.00 C ATOM 1455 CG PRO A 97 -13.978 -16.157 2.522 1.00 0.00 C ATOM 1456 CD PRO A 97 -13.026 -16.683 1.476 1.00 0.00 C ATOM 0 HA PRO A 97 -12.587 -18.379 4.309 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -15.255 -17.835 2.969 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -14.612 -17.031 4.388 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -14.855 -15.705 2.058 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -13.503 -15.385 3.127 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -13.556 -17.128 0.634 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -12.392 -15.894 1.072 1.00 0.00 H new ATOM 1464 N PRO A 98 -13.698 -20.902 4.360 1.00 0.00 N ATOM 1465 CA PRO A 98 -14.210 -22.375 4.240 1.00 0.00 C ATOM 1466 C PRO A 98 -15.808 -22.573 3.985 1.00 0.00 C ATOM 1467 O PRO A 98 -16.656 -21.844 4.602 1.00 0.00 O ATOM 1468 CB PRO A 98 -13.743 -23.038 5.601 1.00 0.00 C ATOM 1469 CG PRO A 98 -12.754 -22.078 6.221 1.00 0.00 C ATOM 1470 CD PRO A 98 -13.210 -20.695 5.820 1.00 0.00 C ATOM 0 HA PRO A 98 -13.798 -22.837 3.343 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -14.592 -23.204 6.264 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -13.283 -24.010 5.423 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -12.735 -22.184 7.306 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -11.743 -22.274 5.864 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -14.009 -20.330 6.465 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -12.398 -19.970 5.876 1.00 0.00 H new ATOM 1478 N ALA A 99 -16.146 -23.566 3.010 1.00 0.00 N ATOM 1479 CA ALA A 99 -17.556 -23.971 2.578 1.00 0.00 C ATOM 1480 C ALA A 99 -17.946 -25.437 3.047 1.00 0.00 C ATOM 1481 O ALA A 99 -17.356 -26.455 2.544 1.00 0.00 O ATOM 1482 CB ALA A 99 -17.795 -23.722 1.037 1.00 0.00 C ATOM 1483 OXT ALA A 99 -18.839 -25.542 3.918 1.00 0.00 O ATOM 0 H ALA A 99 -15.426 -24.094 2.516 1.00 0.00 H new ATOM 0 HA ALA A 99 -18.248 -23.311 3.102 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -18.809 -24.023 0.773 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -17.661 -22.663 0.814 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -17.080 -24.307 0.459 1.00 0.00 H new TER 1489 ALA A 99 ATOM 1490 N VAL B 1 3.191 1.086 19.298 1.00 0.00 N ATOM 1491 CA VAL B 1 4.398 0.377 18.756 1.00 0.00 C ATOM 1492 C VAL B 1 5.761 1.206 18.998 1.00 0.00 C ATOM 1493 O VAL B 1 5.796 2.463 18.878 1.00 0.00 O ATOM 1494 CB VAL B 1 4.126 -0.255 17.211 1.00 0.00 C ATOM 1495 CG1 VAL B 1 4.045 0.724 15.989 1.00 0.00 C ATOM 1496 CG2 VAL B 1 4.942 -1.546 16.880 1.00 0.00 C ATOM 0 H1 VAL B 1 2.342 0.513 19.118 1.00 0.00 H new ATOM 0 H2 VAL B 1 3.302 1.227 20.322 1.00 0.00 H new ATOM 0 H3 VAL B 1 3.091 2.009 18.830 1.00 0.00 H new ATOM 0 HA VAL B 1 4.574 -0.522 19.347 1.00 0.00 H new ATOM 0 HB VAL B 1 3.082 -0.539 17.340 1.00 0.00 H new ATOM 0 HG11 VAL B 1 3.867 0.154 15.077 1.00 0.00 H new ATOM 0 HG12 VAL B 1 3.228 1.429 16.141 1.00 0.00 H new ATOM 0 HG13 VAL B 1 4.984 1.270 15.898 1.00 0.00 H new ATOM 0 HG21 VAL B 1 4.703 -1.878 15.870 1.00 0.00 H new ATOM 0 HG22 VAL B 1 6.008 -1.330 16.948 1.00 0.00 H new ATOM 0 HG23 VAL B 1 4.685 -2.331 17.591 1.00 0.00 H new ATOM 1508 N VAL B 2 6.856 0.396 19.316 1.00 0.00 N ATOM 1509 CA VAL B 2 8.349 0.816 19.629 1.00 0.00 C ATOM 1510 C VAL B 2 9.210 1.440 18.386 1.00 0.00 C ATOM 1511 O VAL B 2 10.207 2.187 18.619 1.00 0.00 O ATOM 1512 CB VAL B 2 9.225 -0.352 20.462 1.00 0.00 C ATOM 1513 CG1 VAL B 2 8.812 -0.444 21.943 1.00 0.00 C ATOM 1514 CG2 VAL B 2 9.210 -1.824 19.825 1.00 0.00 C ATOM 0 H VAL B 2 6.745 -0.616 19.370 1.00 0.00 H new ATOM 0 HA VAL B 2 8.198 1.660 20.302 1.00 0.00 H new ATOM 0 HB VAL B 2 10.249 0.010 20.374 1.00 0.00 H new ATOM 0 HG11 VAL B 2 9.405 -1.212 22.439 1.00 0.00 H new ATOM 0 HG12 VAL B 2 8.983 0.517 22.429 1.00 0.00 H new ATOM 0 HG13 VAL B 2 7.755 -0.702 22.011 1.00 0.00 H new ATOM 0 HG21 VAL B 2 9.806 -2.494 20.444 1.00 0.00 H new ATOM 0 HG22 VAL B 2 8.184 -2.190 19.778 1.00 0.00 H new ATOM 0 HG23 VAL B 2 9.629 -1.790 18.819 1.00 0.00 H new ATOM 1524 N SER B 3 8.723 1.123 17.077 1.00 0.00 N ATOM 1525 CA SER B 3 9.364 1.452 15.732 1.00 0.00 C ATOM 1526 C SER B 3 8.265 1.961 14.723 1.00 0.00 C ATOM 1527 O SER B 3 7.479 1.157 14.168 1.00 0.00 O ATOM 1528 CB SER B 3 10.280 0.220 15.177 1.00 0.00 C ATOM 1529 OG SER B 3 9.628 -1.050 15.216 1.00 0.00 O ATOM 0 H SER B 3 7.846 0.616 16.957 1.00 0.00 H new ATOM 0 HA SER B 3 10.070 2.273 15.857 1.00 0.00 H new ATOM 0 HB2 SER B 3 10.576 0.434 14.150 1.00 0.00 H new ATOM 0 HB3 SER B 3 11.195 0.166 15.767 1.00 0.00 H new ATOM 0 HG SER B 3 10.278 -1.757 15.022 1.00 0.00 H new ATOM 1535 N GLU B 4 8.101 3.389 14.631 1.00 0.00 N ATOM 1536 CA GLU B 4 7.074 4.096 13.711 1.00 0.00 C ATOM 1537 C GLU B 4 7.626 5.448 13.108 1.00 0.00 C ATOM 1538 O GLU B 4 7.984 6.426 13.853 1.00 0.00 O ATOM 1539 CB GLU B 4 5.606 4.294 14.426 1.00 0.00 C ATOM 1540 CG GLU B 4 4.334 4.113 13.535 1.00 0.00 C ATOM 1541 CD GLU B 4 2.988 4.387 14.266 1.00 0.00 C ATOM 1542 OE1 GLU B 4 2.599 5.582 14.418 1.00 0.00 O ATOM 1543 OE2 GLU B 4 2.308 3.408 14.651 1.00 0.00 O ATOM 0 H GLU B 4 8.663 4.041 15.178 1.00 0.00 H new ATOM 0 HA GLU B 4 6.918 3.420 12.870 1.00 0.00 H new ATOM 0 HB2 GLU B 4 5.538 3.589 15.254 1.00 0.00 H new ATOM 0 HB3 GLU B 4 5.575 5.295 14.856 1.00 0.00 H new ATOM 0 HG2 GLU B 4 4.409 4.781 12.677 1.00 0.00 H new ATOM 0 HG3 GLU B 4 4.321 3.095 13.146 1.00 0.00 H new ATOM 1550 N ARG B 5 7.758 5.405 11.711 1.00 0.00 N ATOM 1551 CA ARG B 5 7.942 6.584 10.758 1.00 0.00 C ATOM 1552 C ARG B 5 6.891 6.426 9.591 1.00 0.00 C ATOM 1553 O ARG B 5 7.140 5.741 8.526 1.00 0.00 O ATOM 1554 CB ARG B 5 9.464 6.874 10.252 1.00 0.00 C ATOM 1555 CG ARG B 5 10.408 7.527 11.290 1.00 0.00 C ATOM 1556 CD ARG B 5 11.769 7.856 10.681 1.00 0.00 C ATOM 1557 NE ARG B 5 12.709 8.511 11.683 1.00 0.00 N ATOM 1558 CZ ARG B 5 14.006 9.064 11.488 1.00 0.00 C ATOM 1559 NH1 ARG B 5 14.656 9.105 10.278 1.00 0.00 N ATOM 1560 NH2 ARG B 5 14.631 9.576 12.540 1.00 0.00 N ATOM 0 H ARG B 5 7.737 4.517 11.210 1.00 0.00 H new ATOM 0 HA ARG B 5 7.748 7.498 11.319 1.00 0.00 H new ATOM 0 HB2 ARG B 5 9.906 5.931 9.931 1.00 0.00 H new ATOM 0 HB3 ARG B 5 9.418 7.519 9.375 1.00 0.00 H new ATOM 0 HG2 ARG B 5 9.951 8.438 11.676 1.00 0.00 H new ATOM 0 HG3 ARG B 5 10.541 6.854 12.137 1.00 0.00 H new ATOM 0 HD2 ARG B 5 12.226 6.941 10.303 1.00 0.00 H new ATOM 0 HD3 ARG B 5 11.631 8.520 9.828 1.00 0.00 H new ATOM 0 HE ARG B 5 12.356 8.561 12.639 1.00 0.00 H new ATOM 0 HH11 ARG B 5 14.208 8.723 9.445 1.00 0.00 H new ATOM 0 HH12 ARG B 5 15.587 9.518 10.213 1.00 0.00 H new ATOM 0 HH21 ARG B 5 14.181 9.566 13.455 1.00 0.00 H new ATOM 0 HH22 ARG B 5 15.562 9.980 12.434 1.00 0.00 H new ATOM 1574 N ILE B 6 5.633 6.997 9.902 1.00 0.00 N ATOM 1575 CA ILE B 6 4.368 6.920 9.052 1.00 0.00 C ATOM 1576 C ILE B 6 4.122 8.284 8.198 1.00 0.00 C ATOM 1577 O ILE B 6 4.954 8.569 7.311 1.00 0.00 O ATOM 1578 CB ILE B 6 3.029 6.173 9.906 1.00 0.00 C ATOM 1579 CG1 ILE B 6 1.678 5.783 9.092 1.00 0.00 C ATOM 1580 CG2 ILE B 6 2.588 6.904 11.222 1.00 0.00 C ATOM 1581 CD1 ILE B 6 1.716 4.722 8.013 1.00 0.00 C ATOM 0 H ILE B 6 5.486 7.525 10.762 1.00 0.00 H new ATOM 0 HA ILE B 6 4.500 6.200 8.244 1.00 0.00 H new ATOM 0 HB ILE B 6 3.534 5.231 10.121 1.00 0.00 H new ATOM 0 HG12 ILE B 6 0.937 5.469 9.828 1.00 0.00 H new ATOM 0 HG13 ILE B 6 1.303 6.697 8.632 1.00 0.00 H new ATOM 0 HG21 ILE B 6 1.755 6.366 11.675 1.00 0.00 H new ATOM 0 HG22 ILE B 6 3.425 6.933 11.920 1.00 0.00 H new ATOM 0 HG23 ILE B 6 2.277 7.922 10.986 1.00 0.00 H new ATOM 0 HD11 ILE B 6 0.721 4.602 7.585 1.00 0.00 H new ATOM 0 HD12 ILE B 6 2.413 5.023 7.231 1.00 0.00 H new ATOM 0 HD13 ILE B 6 2.042 3.776 8.445 1.00 0.00 H new ATOM 1593 N SER B 7 2.991 9.142 8.529 1.00 0.00 N ATOM 1594 CA SER B 7 2.523 10.525 7.824 1.00 0.00 C ATOM 1595 C SER B 7 2.543 10.592 6.149 1.00 0.00 C ATOM 1596 O SER B 7 2.445 11.699 5.516 1.00 0.00 O ATOM 1597 CB SER B 7 3.207 11.803 8.541 1.00 0.00 C ATOM 1598 OG SER B 7 4.640 11.773 8.489 1.00 0.00 O ATOM 0 H SER B 7 2.369 8.896 9.299 1.00 0.00 H new ATOM 0 HA SER B 7 1.448 10.559 8.004 1.00 0.00 H new ATOM 0 HB2 SER B 7 2.850 12.715 8.063 1.00 0.00 H new ATOM 0 HB3 SER B 7 2.887 11.843 9.582 1.00 0.00 H new ATOM 0 HG SER B 7 5.000 12.568 8.935 1.00 0.00 H new ATOM 1604 N SER B 8 2.522 9.321 5.506 1.00 0.00 N ATOM 1605 CA SER B 8 2.723 8.984 4.016 1.00 0.00 C ATOM 1606 C SER B 8 1.376 9.110 3.086 1.00 0.00 C ATOM 1607 O SER B 8 0.375 9.742 3.530 1.00 0.00 O ATOM 1608 CB SER B 8 3.423 7.554 3.935 1.00 0.00 C ATOM 1609 OG SER B 8 4.733 7.546 4.500 1.00 0.00 O ATOM 0 H SER B 8 2.356 8.475 6.051 1.00 0.00 H new ATOM 0 HA SER B 8 3.369 9.743 3.575 1.00 0.00 H new ATOM 0 HB2 SER B 8 2.804 6.822 4.454 1.00 0.00 H new ATOM 0 HB3 SER B 8 3.480 7.241 2.892 1.00 0.00 H new ATOM 0 HG SER B 8 4.697 7.899 5.414 1.00 0.00 H new ATOM 1615 N VAL B 9 1.413 8.515 1.765 1.00 0.00 N ATOM 1616 CA VAL B 9 0.317 8.608 0.688 1.00 0.00 C ATOM 1617 C VAL B 9 -0.356 7.152 0.511 1.00 0.00 C ATOM 1618 O VAL B 9 0.202 6.281 -0.179 1.00 0.00 O ATOM 1619 CB VAL B 9 0.862 9.315 -0.806 1.00 0.00 C ATOM 1620 CG1 VAL B 9 -0.270 9.802 -1.717 1.00 0.00 C ATOM 1621 CG2 VAL B 9 1.838 10.523 -0.650 1.00 0.00 C ATOM 1622 OXT VAL B 9 -1.431 6.972 1.046 1.00 0.00 O ATOM 0 H VAL B 9 2.214 7.967 1.451 1.00 0.00 H new ATOM 0 HA VAL B 9 -0.448 9.308 1.026 1.00 0.00 H new ATOM 0 HB VAL B 9 1.387 8.471 -1.254 1.00 0.00 H new ATOM 0 HG11 VAL B 9 0.153 10.229 -2.626 1.00 0.00 H new ATOM 0 HG12 VAL B 9 -0.915 8.963 -1.976 1.00 0.00 H new ATOM 0 HG13 VAL B 9 -0.854 10.561 -1.197 1.00 0.00 H new ATOM 0 HG21 VAL B 9 2.120 10.893 -1.636 1.00 0.00 H new ATOM 0 HG22 VAL B 9 1.346 11.319 -0.091 1.00 0.00 H new ATOM 0 HG23 VAL B 9 2.731 10.202 -0.114 1.00 0.00 H new TER 1632 VAL B 9