USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 750 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 171:sc= -0.989 (180deg=-1.03) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.0276 X(o=-0.028,f=-0.37) USER MOD Single : A 5 SER OG : rot 180:sc= -0.168 USER MOD Single : A 8 THR OG1 : rot -23:sc= 0.765 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 17 SER OG : rot 180:sc= -0.0526 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc=-0.00307 X(o=-0.0031,f=-0.0031) USER MOD Single : A 37 LYS NZ :NH3+ 159:sc= 0.34 (180deg=0.167) USER MOD Single : A 39 THR OG1 : rot 78:sc= 1.13 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot 78:sc= 1.26 USER MOD Single : A 55 CYS SG : rot -24:sc= -0.8 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.125 USER MOD Single : A 59 GLN :FLIP amide:sc= -0.118 F(o=-2.9!,f=-0.12) USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 66 THR OG1 : rot -170:sc= -0.377 USER MOD Single : A 69 GLN : amide:sc= -0.225 K(o=-0.22,f=-3.3!) USER MOD Single : A 70 LYS NZ :NH3+ -179:sc= 0.31 (180deg=0.31) USER MOD Single : A 72 THR OG1 : rot 83:sc= 1.17 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 130:sc= -0.245 USER MOD Single : A 78 GLN : amide:sc= -0.77 K(o=-0.77,f=-6.7!) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 97 GLN : amide:sc= -0.158 X(o=-0.16,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.734 -5.596 6.093 1.00 0.00 N ATOM 2 CA MET A 1 5.621 -5.409 4.924 1.00 0.00 C ATOM 3 C MET A 1 6.391 -6.703 4.663 1.00 0.00 C ATOM 4 O MET A 1 7.105 -7.194 5.540 1.00 0.00 O ATOM 5 CB MET A 1 6.583 -4.203 5.151 1.00 0.00 C ATOM 6 CG MET A 1 7.594 -3.920 4.010 1.00 0.00 C ATOM 7 SD MET A 1 8.943 -5.124 3.918 1.00 0.00 S ATOM 8 CE MET A 1 9.752 -4.654 2.389 1.00 0.00 C ATOM 0 H1 MET A 1 4.208 -4.717 6.274 1.00 0.00 H new ATOM 0 H2 MET A 1 4.064 -6.367 5.900 1.00 0.00 H new ATOM 0 H3 MET A 1 5.306 -5.835 6.928 1.00 0.00 H new ATOM 0 HA MET A 1 5.021 -5.179 4.043 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.981 -3.308 5.308 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.142 -4.377 6.071 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.062 -3.911 3.059 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.016 -2.925 4.149 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.688 -5.203 2.289 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.102 -4.889 1.546 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.959 -3.584 2.401 1.00 0.00 H new ATOM 18 N LEU A 2 6.197 -7.250 3.459 1.00 0.00 N ATOM 19 CA LEU A 2 6.961 -8.392 2.940 1.00 0.00 C ATOM 20 C LEU A 2 7.382 -8.108 1.494 1.00 0.00 C ATOM 21 O LEU A 2 6.784 -7.247 0.825 1.00 0.00 O ATOM 22 CB LEU A 2 6.139 -9.717 3.086 1.00 0.00 C ATOM 23 CG LEU A 2 4.687 -9.776 2.473 1.00 0.00 C ATOM 24 CD1 LEU A 2 4.672 -9.941 0.939 1.00 0.00 C ATOM 25 CD2 LEU A 2 3.843 -10.884 3.137 1.00 0.00 C ATOM 0 H LEU A 2 5.493 -6.907 2.806 1.00 0.00 H new ATOM 0 HA LEU A 2 7.870 -8.530 3.526 1.00 0.00 H new ATOM 0 HB2 LEU A 2 6.722 -10.520 2.634 1.00 0.00 H new ATOM 0 HB3 LEU A 2 6.059 -9.941 4.150 1.00 0.00 H new ATOM 0 HG LEU A 2 4.239 -8.806 2.689 1.00 0.00 H new ATOM 0 HD11 LEU A 2 3.641 -9.974 0.587 1.00 0.00 H new ATOM 0 HD12 LEU A 2 5.186 -9.098 0.477 1.00 0.00 H new ATOM 0 HD13 LEU A 2 5.178 -10.868 0.668 1.00 0.00 H new ATOM 0 HD21 LEU A 2 2.848 -10.899 2.693 1.00 0.00 H new ATOM 0 HD22 LEU A 2 4.324 -11.850 2.982 1.00 0.00 H new ATOM 0 HD23 LEU A 2 3.760 -10.687 4.206 1.00 0.00 H new ATOM 37 N LEU A 3 8.418 -8.815 1.024 1.00 0.00 N ATOM 38 CA LEU A 3 8.903 -8.725 -0.361 1.00 0.00 C ATOM 39 C LEU A 3 7.891 -9.390 -1.304 1.00 0.00 C ATOM 40 O LEU A 3 7.793 -10.620 -1.345 1.00 0.00 O ATOM 41 CB LEU A 3 10.303 -9.405 -0.472 1.00 0.00 C ATOM 42 CG LEU A 3 11.540 -8.621 0.096 1.00 0.00 C ATOM 43 CD1 LEU A 3 11.327 -8.074 1.527 1.00 0.00 C ATOM 44 CD2 LEU A 3 12.804 -9.508 0.035 1.00 0.00 C ATOM 0 H LEU A 3 8.948 -9.471 1.598 1.00 0.00 H new ATOM 0 HA LEU A 3 9.006 -7.679 -0.649 1.00 0.00 H new ATOM 0 HB2 LEU A 3 10.251 -10.366 0.039 1.00 0.00 H new ATOM 0 HB3 LEU A 3 10.492 -9.614 -1.525 1.00 0.00 H new ATOM 0 HG LEU A 3 11.670 -7.746 -0.541 1.00 0.00 H new ATOM 0 HD11 LEU A 3 12.223 -7.545 1.851 1.00 0.00 H new ATOM 0 HD12 LEU A 3 10.479 -7.389 1.532 1.00 0.00 H new ATOM 0 HD13 LEU A 3 11.128 -8.902 2.207 1.00 0.00 H new ATOM 0 HD21 LEU A 3 13.656 -8.955 0.431 1.00 0.00 H new ATOM 0 HD22 LEU A 3 12.646 -10.407 0.630 1.00 0.00 H new ATOM 0 HD23 LEU A 3 13.002 -9.788 -1.000 1.00 0.00 H new ATOM 56 N HIS A 4 7.083 -8.556 -1.993 1.00 0.00 N ATOM 57 CA HIS A 4 6.109 -8.998 -3.025 1.00 0.00 C ATOM 58 C HIS A 4 6.716 -9.916 -4.105 1.00 0.00 C ATOM 59 O HIS A 4 5.992 -10.682 -4.748 1.00 0.00 O ATOM 60 CB HIS A 4 5.445 -7.773 -3.690 1.00 0.00 C ATOM 61 CG HIS A 4 4.700 -6.876 -2.738 1.00 0.00 C ATOM 62 ND1 HIS A 4 4.627 -5.511 -2.898 1.00 0.00 N ATOM 63 CD2 HIS A 4 3.975 -7.154 -1.624 1.00 0.00 C ATOM 64 CE1 HIS A 4 3.902 -4.993 -1.934 1.00 0.00 C ATOM 65 NE2 HIS A 4 3.496 -5.965 -1.149 1.00 0.00 N ATOM 0 H HIS A 4 7.085 -7.546 -1.850 1.00 0.00 H new ATOM 0 HA HIS A 4 5.364 -9.595 -2.499 1.00 0.00 H new ATOM 0 HB2 HIS A 4 6.214 -7.188 -4.195 1.00 0.00 H new ATOM 0 HB3 HIS A 4 4.754 -8.122 -4.458 1.00 0.00 H new ATOM 0 HD2 HIS A 4 3.808 -8.131 -1.194 1.00 0.00 H new ATOM 0 HE1 HIS A 4 3.677 -3.944 -1.808 1.00 0.00 H new ATOM 0 HE2 HIS A 4 2.916 -5.851 -0.318 1.00 0.00 H new ATOM 74 N SER A 5 8.036 -9.829 -4.288 1.00 0.00 N ATOM 75 CA SER A 5 8.791 -10.718 -5.167 1.00 0.00 C ATOM 76 C SER A 5 10.280 -10.611 -4.809 1.00 0.00 C ATOM 77 O SER A 5 10.787 -9.515 -4.525 1.00 0.00 O ATOM 78 CB SER A 5 8.550 -10.376 -6.661 1.00 0.00 C ATOM 79 OG SER A 5 9.130 -11.351 -7.513 1.00 0.00 O ATOM 0 H SER A 5 8.615 -9.130 -3.823 1.00 0.00 H new ATOM 0 HA SER A 5 8.451 -11.743 -5.021 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.479 -10.313 -6.854 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.973 -9.397 -6.885 1.00 0.00 H new ATOM 0 HG SER A 5 8.961 -11.111 -8.448 1.00 0.00 H new ATOM 85 N VAL A 6 10.959 -11.765 -4.816 1.00 0.00 N ATOM 86 CA VAL A 6 12.393 -11.889 -4.514 1.00 0.00 C ATOM 87 C VAL A 6 12.966 -13.070 -5.318 1.00 0.00 C ATOM 88 O VAL A 6 12.355 -14.146 -5.388 1.00 0.00 O ATOM 89 CB VAL A 6 12.662 -12.079 -2.962 1.00 0.00 C ATOM 90 CG1 VAL A 6 11.953 -13.338 -2.400 1.00 0.00 C ATOM 91 CG2 VAL A 6 14.188 -12.078 -2.625 1.00 0.00 C ATOM 0 H VAL A 6 10.519 -12.658 -5.036 1.00 0.00 H new ATOM 0 HA VAL A 6 12.892 -10.964 -4.803 1.00 0.00 H new ATOM 0 HB VAL A 6 12.225 -11.215 -2.462 1.00 0.00 H new ATOM 0 HG11 VAL A 6 12.164 -13.429 -1.335 1.00 0.00 H new ATOM 0 HG12 VAL A 6 10.877 -13.247 -2.550 1.00 0.00 H new ATOM 0 HG13 VAL A 6 12.318 -14.224 -2.920 1.00 0.00 H new ATOM 0 HG21 VAL A 6 14.324 -12.211 -1.552 1.00 0.00 H new ATOM 0 HG22 VAL A 6 14.679 -12.894 -3.156 1.00 0.00 H new ATOM 0 HG23 VAL A 6 14.628 -11.129 -2.932 1.00 0.00 H new ATOM 101 N GLU A 7 14.120 -12.853 -5.962 1.00 0.00 N ATOM 102 CA GLU A 7 14.804 -13.886 -6.743 1.00 0.00 C ATOM 103 C GLU A 7 15.785 -14.641 -5.837 1.00 0.00 C ATOM 104 O GLU A 7 16.826 -14.107 -5.451 1.00 0.00 O ATOM 105 CB GLU A 7 15.525 -13.249 -7.952 1.00 0.00 C ATOM 106 CG GLU A 7 14.576 -12.568 -8.951 1.00 0.00 C ATOM 107 CD GLU A 7 15.317 -11.900 -10.113 1.00 0.00 C ATOM 108 OE1 GLU A 7 15.709 -10.721 -9.984 1.00 0.00 O ATOM 109 OE2 GLU A 7 15.534 -12.561 -11.149 1.00 0.00 O ATOM 0 H GLU A 7 14.604 -11.955 -5.955 1.00 0.00 H new ATOM 0 HA GLU A 7 14.076 -14.598 -7.132 1.00 0.00 H new ATOM 0 HB2 GLU A 7 16.244 -12.514 -7.589 1.00 0.00 H new ATOM 0 HB3 GLU A 7 16.093 -14.020 -8.472 1.00 0.00 H new ATOM 0 HG2 GLU A 7 13.881 -13.308 -9.347 1.00 0.00 H new ATOM 0 HG3 GLU A 7 13.981 -11.820 -8.428 1.00 0.00 H new ATOM 116 N THR A 8 15.397 -15.864 -5.466 1.00 0.00 N ATOM 117 CA THR A 8 16.191 -16.770 -4.616 1.00 0.00 C ATOM 118 C THR A 8 17.028 -17.739 -5.510 1.00 0.00 C ATOM 119 O THR A 8 16.807 -17.780 -6.727 1.00 0.00 O ATOM 120 CB THR A 8 15.227 -17.564 -3.663 1.00 0.00 C ATOM 121 OG1 THR A 8 14.409 -18.460 -4.420 1.00 0.00 O ATOM 122 CG2 THR A 8 14.317 -16.621 -2.856 1.00 0.00 C ATOM 0 H THR A 8 14.504 -16.265 -5.752 1.00 0.00 H new ATOM 0 HA THR A 8 16.885 -16.194 -4.005 1.00 0.00 H new ATOM 0 HB THR A 8 15.852 -18.123 -2.967 1.00 0.00 H new ATOM 0 HG1 THR A 8 14.352 -18.147 -5.347 1.00 0.00 H new ATOM 0 HG21 THR A 8 13.666 -17.209 -2.209 1.00 0.00 H new ATOM 0 HG22 THR A 8 14.930 -15.957 -2.246 1.00 0.00 H new ATOM 0 HG23 THR A 8 13.710 -16.028 -3.540 1.00 0.00 H new ATOM 130 N PRO A 9 18.031 -18.509 -4.946 1.00 0.00 N ATOM 131 CA PRO A 9 18.825 -19.508 -5.725 1.00 0.00 C ATOM 132 C PRO A 9 17.971 -20.650 -6.326 1.00 0.00 C ATOM 133 O PRO A 9 18.377 -21.278 -7.306 1.00 0.00 O ATOM 134 CB PRO A 9 19.848 -20.057 -4.684 1.00 0.00 C ATOM 135 CG PRO A 9 19.231 -19.750 -3.357 1.00 0.00 C ATOM 136 CD PRO A 9 18.536 -18.423 -3.549 1.00 0.00 C ATOM 0 HA PRO A 9 19.290 -19.048 -6.597 1.00 0.00 H new ATOM 0 HB2 PRO A 9 20.007 -21.128 -4.810 1.00 0.00 H new ATOM 0 HB3 PRO A 9 20.820 -19.576 -4.791 1.00 0.00 H new ATOM 0 HG2 PRO A 9 18.526 -20.526 -3.060 1.00 0.00 H new ATOM 0 HG3 PRO A 9 19.987 -19.690 -2.574 1.00 0.00 H new ATOM 0 HD2 PRO A 9 17.725 -18.285 -2.834 1.00 0.00 H new ATOM 0 HD3 PRO A 9 19.222 -17.586 -3.418 1.00 0.00 H new ATOM 144 N ARG A 10 16.798 -20.925 -5.722 1.00 0.00 N ATOM 145 CA ARG A 10 15.867 -21.966 -6.230 1.00 0.00 C ATOM 146 C ARG A 10 14.961 -21.417 -7.356 1.00 0.00 C ATOM 147 O ARG A 10 14.252 -22.185 -8.024 1.00 0.00 O ATOM 148 CB ARG A 10 15.013 -22.572 -5.078 1.00 0.00 C ATOM 149 CG ARG A 10 14.120 -21.572 -4.310 1.00 0.00 C ATOM 150 CD ARG A 10 13.307 -22.241 -3.187 1.00 0.00 C ATOM 151 NE ARG A 10 14.176 -22.991 -2.258 1.00 0.00 N ATOM 152 CZ ARG A 10 13.767 -23.710 -1.206 1.00 0.00 C ATOM 153 NH1 ARG A 10 12.485 -23.749 -0.862 1.00 0.00 N ATOM 154 NH2 ARG A 10 14.661 -24.361 -0.482 1.00 0.00 N ATOM 0 H ARG A 10 16.469 -20.445 -4.884 1.00 0.00 H new ATOM 0 HA ARG A 10 16.476 -22.765 -6.654 1.00 0.00 H new ATOM 0 HB2 ARG A 10 14.377 -23.354 -5.494 1.00 0.00 H new ATOM 0 HB3 ARG A 10 15.684 -23.052 -4.366 1.00 0.00 H new ATOM 0 HG2 ARG A 10 14.745 -20.788 -3.883 1.00 0.00 H new ATOM 0 HG3 ARG A 10 13.437 -21.090 -5.009 1.00 0.00 H new ATOM 0 HD2 ARG A 10 12.754 -21.481 -2.635 1.00 0.00 H new ATOM 0 HD3 ARG A 10 12.571 -22.917 -3.623 1.00 0.00 H new ATOM 0 HE ARG A 10 15.180 -22.958 -2.434 1.00 0.00 H new ATOM 0 HH11 ARG A 10 11.796 -23.226 -1.402 1.00 0.00 H new ATOM 0 HH12 ARG A 10 12.189 -24.302 -0.057 1.00 0.00 H new ATOM 0 HH21 ARG A 10 15.650 -24.312 -0.728 1.00 0.00 H new ATOM 0 HH22 ARG A 10 14.362 -24.913 0.322 1.00 0.00 H new ATOM 168 N GLY A 11 14.991 -20.082 -7.551 1.00 0.00 N ATOM 169 CA GLY A 11 14.217 -19.408 -8.601 1.00 0.00 C ATOM 170 C GLY A 11 13.512 -18.164 -8.083 1.00 0.00 C ATOM 171 O GLY A 11 13.889 -17.624 -7.042 1.00 0.00 O ATOM 0 H GLY A 11 15.553 -19.447 -6.984 1.00 0.00 H new ATOM 0 HA2 GLY A 11 14.881 -19.133 -9.420 1.00 0.00 H new ATOM 0 HA3 GLY A 11 13.479 -20.100 -9.007 1.00 0.00 H new ATOM 175 N GLU A 12 12.474 -17.714 -8.798 1.00 0.00 N ATOM 176 CA GLU A 12 11.703 -16.518 -8.413 1.00 0.00 C ATOM 177 C GLU A 12 10.595 -16.927 -7.428 1.00 0.00 C ATOM 178 O GLU A 12 9.904 -17.928 -7.645 1.00 0.00 O ATOM 179 CB GLU A 12 11.116 -15.821 -9.667 1.00 0.00 C ATOM 180 CG GLU A 12 10.312 -14.538 -9.372 1.00 0.00 C ATOM 181 CD GLU A 12 9.891 -13.789 -10.651 1.00 0.00 C ATOM 182 OE1 GLU A 12 8.958 -14.251 -11.344 1.00 0.00 O ATOM 183 OE2 GLU A 12 10.509 -12.756 -10.979 1.00 0.00 O ATOM 0 H GLU A 12 12.144 -18.162 -9.653 1.00 0.00 H new ATOM 0 HA GLU A 12 12.361 -15.801 -7.922 1.00 0.00 H new ATOM 0 HB2 GLU A 12 11.933 -15.574 -10.345 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.470 -16.527 -10.190 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.422 -14.796 -8.798 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.911 -13.874 -8.749 1.00 0.00 H new ATOM 190 N ILE A 13 10.449 -16.151 -6.338 1.00 0.00 N ATOM 191 CA ILE A 13 9.509 -16.426 -5.233 1.00 0.00 C ATOM 192 C ILE A 13 8.644 -15.175 -5.008 1.00 0.00 C ATOM 193 O ILE A 13 9.175 -14.092 -4.750 1.00 0.00 O ATOM 194 CB ILE A 13 10.279 -16.797 -3.902 1.00 0.00 C ATOM 195 CG1 ILE A 13 11.176 -18.061 -4.097 1.00 0.00 C ATOM 196 CG2 ILE A 13 9.309 -16.994 -2.711 1.00 0.00 C ATOM 197 CD1 ILE A 13 10.442 -19.322 -4.508 1.00 0.00 C ATOM 0 H ILE A 13 10.991 -15.299 -6.197 1.00 0.00 H new ATOM 0 HA ILE A 13 8.884 -17.279 -5.500 1.00 0.00 H new ATOM 0 HB ILE A 13 10.927 -15.953 -3.665 1.00 0.00 H new ATOM 0 HG12 ILE A 13 11.930 -17.838 -4.852 1.00 0.00 H new ATOM 0 HG13 ILE A 13 11.706 -18.257 -3.165 1.00 0.00 H new ATOM 0 HG21 ILE A 13 9.878 -17.248 -1.816 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.753 -16.073 -2.538 1.00 0.00 H new ATOM 0 HG23 ILE A 13 8.612 -17.801 -2.939 1.00 0.00 H new ATOM 0 HD11 ILE A 13 11.155 -20.139 -4.616 1.00 0.00 H new ATOM 0 HD12 ILE A 13 9.707 -19.580 -3.745 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.935 -19.155 -5.458 1.00 0.00 H new ATOM 209 N LEU A 14 7.318 -15.334 -5.113 1.00 0.00 N ATOM 210 CA LEU A 14 6.361 -14.216 -5.036 1.00 0.00 C ATOM 211 C LEU A 14 5.710 -14.154 -3.639 1.00 0.00 C ATOM 212 O LEU A 14 5.137 -15.153 -3.174 1.00 0.00 O ATOM 213 CB LEU A 14 5.274 -14.387 -6.125 1.00 0.00 C ATOM 214 CG LEU A 14 5.786 -14.495 -7.596 1.00 0.00 C ATOM 215 CD1 LEU A 14 4.617 -14.792 -8.554 1.00 0.00 C ATOM 216 CD2 LEU A 14 6.557 -13.221 -8.026 1.00 0.00 C ATOM 0 H LEU A 14 6.875 -16.242 -5.254 1.00 0.00 H new ATOM 0 HA LEU A 14 6.896 -13.282 -5.205 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.697 -15.283 -5.896 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.589 -13.542 -6.061 1.00 0.00 H new ATOM 0 HG LEU A 14 6.488 -15.327 -7.647 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.992 -14.864 -9.575 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.147 -15.734 -8.273 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.883 -13.988 -8.493 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.898 -13.332 -9.055 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.899 -12.355 -7.954 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.417 -13.078 -7.372 1.00 0.00 H new ATOM 228 N ASN A 15 5.837 -12.976 -2.990 1.00 0.00 N ATOM 229 CA ASN A 15 5.142 -12.616 -1.735 1.00 0.00 C ATOM 230 C ASN A 15 5.589 -13.497 -0.560 1.00 0.00 C ATOM 231 O ASN A 15 4.991 -14.547 -0.279 1.00 0.00 O ATOM 232 CB ASN A 15 3.600 -12.615 -1.919 1.00 0.00 C ATOM 233 CG ASN A 15 3.114 -11.498 -2.850 1.00 0.00 C ATOM 234 OD1 ASN A 15 2.828 -10.388 -2.395 1.00 0.00 O ATOM 235 ND2 ASN A 15 3.017 -11.779 -4.146 1.00 0.00 N ATOM 0 H ASN A 15 6.442 -12.230 -3.334 1.00 0.00 H new ATOM 0 HA ASN A 15 5.432 -11.596 -1.483 1.00 0.00 H new ATOM 0 HB2 ASN A 15 3.286 -13.579 -2.320 1.00 0.00 H new ATOM 0 HB3 ASN A 15 3.122 -12.504 -0.945 1.00 0.00 H new ATOM 0 HD21 ASN A 15 2.697 -11.065 -4.800 1.00 0.00 H new ATOM 0 HD22 ASN A 15 3.262 -12.709 -4.486 1.00 0.00 H new ATOM 242 N VAL A 16 6.672 -13.059 0.100 1.00 0.00 N ATOM 243 CA VAL A 16 7.266 -13.752 1.252 1.00 0.00 C ATOM 244 C VAL A 16 8.011 -12.737 2.147 1.00 0.00 C ATOM 245 O VAL A 16 8.516 -11.718 1.657 1.00 0.00 O ATOM 246 CB VAL A 16 8.238 -14.906 0.784 1.00 0.00 C ATOM 247 CG1 VAL A 16 9.391 -14.363 -0.084 1.00 0.00 C ATOM 248 CG2 VAL A 16 8.780 -15.723 1.981 1.00 0.00 C ATOM 0 H VAL A 16 7.165 -12.203 -0.155 1.00 0.00 H new ATOM 0 HA VAL A 16 6.465 -14.212 1.830 1.00 0.00 H new ATOM 0 HB VAL A 16 7.649 -15.583 0.165 1.00 0.00 H new ATOM 0 HG11 VAL A 16 10.038 -15.187 -0.386 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.982 -13.879 -0.971 1.00 0.00 H new ATOM 0 HG13 VAL A 16 9.969 -13.639 0.491 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.444 -16.506 1.616 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.331 -15.064 2.652 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.947 -16.175 2.520 1.00 0.00 H new ATOM 258 N SER A 17 8.045 -13.011 3.460 1.00 0.00 N ATOM 259 CA SER A 17 8.767 -12.190 4.439 1.00 0.00 C ATOM 260 C SER A 17 10.291 -12.338 4.264 1.00 0.00 C ATOM 261 O SER A 17 10.763 -13.331 3.707 1.00 0.00 O ATOM 262 CB SER A 17 8.344 -12.593 5.865 1.00 0.00 C ATOM 263 OG SER A 17 8.627 -13.960 6.116 1.00 0.00 O ATOM 0 H SER A 17 7.569 -13.813 3.873 1.00 0.00 H new ATOM 0 HA SER A 17 8.513 -11.143 4.274 1.00 0.00 H new ATOM 0 HB2 SER A 17 8.867 -11.971 6.592 1.00 0.00 H new ATOM 0 HB3 SER A 17 7.278 -12.409 5.997 1.00 0.00 H new ATOM 0 HG SER A 17 8.351 -14.189 7.028 1.00 0.00 H new ATOM 269 N GLU A 18 11.036 -11.348 4.775 1.00 0.00 N ATOM 270 CA GLU A 18 12.515 -11.313 4.740 1.00 0.00 C ATOM 271 C GLU A 18 13.118 -12.561 5.416 1.00 0.00 C ATOM 272 O GLU A 18 14.000 -13.212 4.861 1.00 0.00 O ATOM 273 CB GLU A 18 12.988 -10.047 5.489 1.00 0.00 C ATOM 274 CG GLU A 18 12.488 -8.713 4.886 1.00 0.00 C ATOM 275 CD GLU A 18 12.458 -7.552 5.898 1.00 0.00 C ATOM 276 OE1 GLU A 18 13.529 -7.001 6.234 1.00 0.00 O ATOM 277 OE2 GLU A 18 11.364 -7.195 6.381 1.00 0.00 O ATOM 0 H GLU A 18 10.627 -10.533 5.233 1.00 0.00 H new ATOM 0 HA GLU A 18 12.847 -11.298 3.702 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.655 -10.109 6.525 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.078 -10.037 5.505 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.131 -8.438 4.050 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.486 -8.859 4.483 1.00 0.00 H new ATOM 284 N GLN A 19 12.588 -12.873 6.610 1.00 0.00 N ATOM 285 CA GLN A 19 13.057 -13.993 7.442 1.00 0.00 C ATOM 286 C GLN A 19 12.885 -15.335 6.706 1.00 0.00 C ATOM 287 O GLN A 19 13.861 -16.035 6.438 1.00 0.00 O ATOM 288 CB GLN A 19 12.284 -14.005 8.785 1.00 0.00 C ATOM 289 CG GLN A 19 12.469 -12.725 9.632 1.00 0.00 C ATOM 290 CD GLN A 19 11.632 -12.704 10.918 1.00 0.00 C ATOM 291 OE1 GLN A 19 11.374 -13.743 11.525 1.00 0.00 O ATOM 292 NE2 GLN A 19 11.205 -11.522 11.350 1.00 0.00 N ATOM 0 H GLN A 19 11.817 -12.352 7.028 1.00 0.00 H new ATOM 0 HA GLN A 19 14.120 -13.858 7.644 1.00 0.00 H new ATOM 0 HB2 GLN A 19 11.222 -14.141 8.579 1.00 0.00 H new ATOM 0 HB3 GLN A 19 12.608 -14.865 9.371 1.00 0.00 H new ATOM 0 HG2 GLN A 19 13.522 -12.624 9.894 1.00 0.00 H new ATOM 0 HG3 GLN A 19 12.207 -11.858 9.025 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.433 -10.676 10.828 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.650 -11.461 12.203 1.00 0.00 H new ATOM 301 N GLU A 20 11.634 -15.624 6.332 1.00 0.00 N ATOM 302 CA GLU A 20 11.243 -16.907 5.713 1.00 0.00 C ATOM 303 C GLU A 20 11.948 -17.123 4.357 1.00 0.00 C ATOM 304 O GLU A 20 12.376 -18.241 4.051 1.00 0.00 O ATOM 305 CB GLU A 20 9.701 -16.952 5.565 1.00 0.00 C ATOM 306 CG GLU A 20 9.135 -18.201 4.859 1.00 0.00 C ATOM 307 CD GLU A 20 7.600 -18.287 4.924 1.00 0.00 C ATOM 308 OE1 GLU A 20 6.918 -17.494 4.238 1.00 0.00 O ATOM 309 OE2 GLU A 20 7.064 -19.144 5.666 1.00 0.00 O ATOM 0 H GLU A 20 10.856 -14.975 6.448 1.00 0.00 H new ATOM 0 HA GLU A 20 11.562 -17.723 6.361 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.257 -16.885 6.558 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.381 -16.068 5.013 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.449 -18.195 3.815 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.563 -19.094 5.315 1.00 0.00 H new ATOM 316 N ALA A 21 12.016 -16.051 3.545 1.00 0.00 N ATOM 317 CA ALA A 21 12.815 -16.024 2.303 1.00 0.00 C ATOM 318 C ALA A 21 14.264 -16.539 2.508 1.00 0.00 C ATOM 319 O ALA A 21 14.681 -17.472 1.822 1.00 0.00 O ATOM 320 CB ALA A 21 12.815 -14.606 1.714 1.00 0.00 C ATOM 0 H ALA A 21 11.519 -15.180 3.730 1.00 0.00 H new ATOM 0 HA ALA A 21 12.345 -16.710 1.598 1.00 0.00 H new ATOM 0 HB1 ALA A 21 13.406 -14.592 0.798 1.00 0.00 H new ATOM 0 HB2 ALA A 21 11.792 -14.305 1.490 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.248 -13.912 2.435 1.00 0.00 H new ATOM 326 N ARG A 22 14.996 -15.953 3.475 1.00 0.00 N ATOM 327 CA ARG A 22 16.421 -16.300 3.741 1.00 0.00 C ATOM 328 C ARG A 22 16.585 -17.759 4.216 1.00 0.00 C ATOM 329 O ARG A 22 17.503 -18.464 3.781 1.00 0.00 O ATOM 330 CB ARG A 22 17.013 -15.369 4.825 1.00 0.00 C ATOM 331 CG ARG A 22 17.052 -13.885 4.446 1.00 0.00 C ATOM 332 CD ARG A 22 17.466 -12.981 5.616 1.00 0.00 C ATOM 333 NE ARG A 22 16.610 -13.187 6.800 1.00 0.00 N ATOM 334 CZ ARG A 22 16.667 -12.474 7.934 1.00 0.00 C ATOM 335 NH1 ARG A 22 17.470 -11.429 8.051 1.00 0.00 N ATOM 336 NH2 ARG A 22 15.907 -12.818 8.954 1.00 0.00 N ATOM 0 H ARG A 22 14.628 -15.231 4.094 1.00 0.00 H new ATOM 0 HA ARG A 22 16.952 -16.174 2.797 1.00 0.00 H new ATOM 0 HB2 ARG A 22 16.429 -15.481 5.739 1.00 0.00 H new ATOM 0 HB3 ARG A 22 18.027 -15.698 5.052 1.00 0.00 H new ATOM 0 HG2 ARG A 22 17.749 -13.744 3.620 1.00 0.00 H new ATOM 0 HG3 ARG A 22 16.068 -13.580 4.088 1.00 0.00 H new ATOM 0 HD2 ARG A 22 18.505 -13.181 5.880 1.00 0.00 H new ATOM 0 HD3 ARG A 22 17.411 -11.938 5.306 1.00 0.00 H new ATOM 0 HE ARG A 22 15.917 -13.934 6.752 1.00 0.00 H new ATOM 0 HH11 ARG A 22 18.062 -11.151 7.269 1.00 0.00 H new ATOM 0 HH12 ARG A 22 17.497 -10.901 8.924 1.00 0.00 H new ATOM 0 HH21 ARG A 22 15.282 -13.621 8.877 1.00 0.00 H new ATOM 0 HH22 ARG A 22 15.943 -12.282 9.821 1.00 0.00 H new ATOM 350 N ASP A 23 15.685 -18.173 5.123 1.00 0.00 N ATOM 351 CA ASP A 23 15.789 -19.452 5.850 1.00 0.00 C ATOM 352 C ASP A 23 15.317 -20.624 4.979 1.00 0.00 C ATOM 353 O ASP A 23 16.106 -21.526 4.661 1.00 0.00 O ATOM 354 CB ASP A 23 15.009 -19.375 7.192 1.00 0.00 C ATOM 355 CG ASP A 23 15.784 -18.570 8.248 1.00 0.00 C ATOM 356 OD1 ASP A 23 16.606 -19.171 8.976 1.00 0.00 O ATOM 357 OD2 ASP A 23 15.608 -17.337 8.335 1.00 0.00 O ATOM 0 H ASP A 23 14.860 -17.628 5.375 1.00 0.00 H new ATOM 0 HA ASP A 23 16.838 -19.634 6.085 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.036 -18.913 7.023 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.823 -20.382 7.565 1.00 0.00 H new ATOM 362 N VAL A 24 14.036 -20.582 4.571 1.00 0.00 N ATOM 363 CA VAL A 24 13.388 -21.657 3.783 1.00 0.00 C ATOM 364 C VAL A 24 13.855 -21.623 2.315 1.00 0.00 C ATOM 365 O VAL A 24 14.436 -22.588 1.814 1.00 0.00 O ATOM 366 CB VAL A 24 11.809 -21.531 3.852 1.00 0.00 C ATOM 367 CG1 VAL A 24 11.107 -22.634 3.014 1.00 0.00 C ATOM 368 CG2 VAL A 24 11.319 -21.539 5.324 1.00 0.00 C ATOM 0 H VAL A 24 13.415 -19.800 4.777 1.00 0.00 H new ATOM 0 HA VAL A 24 13.683 -22.612 4.219 1.00 0.00 H new ATOM 0 HB VAL A 24 11.534 -20.573 3.411 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.026 -22.514 3.087 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.412 -22.548 1.971 1.00 0.00 H new ATOM 0 HG13 VAL A 24 11.389 -23.615 3.395 1.00 0.00 H new ATOM 0 HG21 VAL A 24 10.233 -21.451 5.346 1.00 0.00 H new ATOM 0 HG22 VAL A 24 11.618 -22.472 5.802 1.00 0.00 H new ATOM 0 HG23 VAL A 24 11.762 -20.699 5.859 1.00 0.00 H new ATOM 378 N PHE A 25 13.620 -20.480 1.656 1.00 0.00 N ATOM 379 CA PHE A 25 13.829 -20.321 0.201 1.00 0.00 C ATOM 380 C PHE A 25 15.313 -20.073 -0.142 1.00 0.00 C ATOM 381 O PHE A 25 15.711 -20.178 -1.308 1.00 0.00 O ATOM 382 CB PHE A 25 12.922 -19.181 -0.335 1.00 0.00 C ATOM 383 CG PHE A 25 11.428 -19.432 -0.101 1.00 0.00 C ATOM 384 CD1 PHE A 25 10.682 -20.188 -1.002 1.00 0.00 C ATOM 385 CD2 PHE A 25 10.775 -18.928 1.023 1.00 0.00 C ATOM 386 CE1 PHE A 25 9.338 -20.431 -0.789 1.00 0.00 C ATOM 387 CE2 PHE A 25 9.433 -19.177 1.236 1.00 0.00 C ATOM 388 CZ PHE A 25 8.716 -19.923 0.329 1.00 0.00 C ATOM 0 H PHE A 25 13.279 -19.635 2.114 1.00 0.00 H new ATOM 0 HA PHE A 25 13.550 -21.252 -0.292 1.00 0.00 H new ATOM 0 HB2 PHE A 25 13.205 -18.245 0.146 1.00 0.00 H new ATOM 0 HB3 PHE A 25 13.099 -19.057 -1.403 1.00 0.00 H new ATOM 0 HD1 PHE A 25 11.162 -20.591 -1.882 1.00 0.00 H new ATOM 0 HD2 PHE A 25 11.326 -18.334 1.737 1.00 0.00 H new ATOM 0 HE1 PHE A 25 8.776 -21.019 -1.499 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.945 -18.785 2.116 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.665 -20.110 0.494 1.00 0.00 H new ATOM 398 N GLY A 26 16.118 -19.752 0.888 1.00 0.00 N ATOM 399 CA GLY A 26 17.572 -19.613 0.743 1.00 0.00 C ATOM 400 C GLY A 26 18.012 -18.288 0.133 1.00 0.00 C ATOM 401 O GLY A 26 19.133 -18.187 -0.371 1.00 0.00 O ATOM 0 H GLY A 26 15.779 -19.584 1.835 1.00 0.00 H new ATOM 0 HA2 GLY A 26 18.036 -19.721 1.723 1.00 0.00 H new ATOM 0 HA3 GLY A 26 17.944 -20.428 0.122 1.00 0.00 H new ATOM 405 N ALA A 27 17.131 -17.271 0.202 1.00 0.00 N ATOM 406 CA ALA A 27 17.363 -15.939 -0.393 1.00 0.00 C ATOM 407 C ALA A 27 18.616 -15.262 0.174 1.00 0.00 C ATOM 408 O ALA A 27 18.838 -15.269 1.396 1.00 0.00 O ATOM 409 CB ALA A 27 16.150 -15.028 -0.160 1.00 0.00 C ATOM 0 H ALA A 27 16.231 -17.351 0.676 1.00 0.00 H new ATOM 0 HA ALA A 27 17.513 -16.093 -1.462 1.00 0.00 H new ATOM 0 HB1 ALA A 27 16.338 -14.051 -0.605 1.00 0.00 H new ATOM 0 HB2 ALA A 27 15.267 -15.472 -0.620 1.00 0.00 H new ATOM 0 HB3 ALA A 27 15.982 -14.913 0.911 1.00 0.00 H new ATOM 415 N SER A 28 19.421 -14.688 -0.729 1.00 0.00 N ATOM 416 CA SER A 28 20.580 -13.870 -0.374 1.00 0.00 C ATOM 417 C SER A 28 20.129 -12.595 0.361 1.00 0.00 C ATOM 418 O SER A 28 19.099 -12.012 0.018 1.00 0.00 O ATOM 419 CB SER A 28 21.378 -13.508 -1.650 1.00 0.00 C ATOM 420 OG SER A 28 21.791 -14.666 -2.369 1.00 0.00 O ATOM 0 H SER A 28 19.282 -14.781 -1.735 1.00 0.00 H new ATOM 0 HA SER A 28 21.226 -14.440 0.294 1.00 0.00 H new ATOM 0 HB2 SER A 28 20.764 -12.881 -2.296 1.00 0.00 H new ATOM 0 HB3 SER A 28 22.254 -12.921 -1.375 1.00 0.00 H new ATOM 0 HG SER A 28 22.290 -14.395 -3.168 1.00 0.00 H new ATOM 426 N GLU A 29 20.924 -12.160 1.345 1.00 0.00 N ATOM 427 CA GLU A 29 20.618 -10.959 2.138 1.00 0.00 C ATOM 428 C GLU A 29 20.735 -9.694 1.261 1.00 0.00 C ATOM 429 O GLU A 29 20.091 -8.684 1.528 1.00 0.00 O ATOM 430 CB GLU A 29 21.543 -10.876 3.368 1.00 0.00 C ATOM 431 CG GLU A 29 21.445 -12.102 4.297 1.00 0.00 C ATOM 432 CD GLU A 29 22.225 -11.937 5.611 1.00 0.00 C ATOM 433 OE1 GLU A 29 23.451 -12.181 5.625 1.00 0.00 O ATOM 434 OE2 GLU A 29 21.612 -11.575 6.637 1.00 0.00 O ATOM 0 H GLU A 29 21.791 -12.624 1.614 1.00 0.00 H new ATOM 0 HA GLU A 29 19.591 -11.025 2.497 1.00 0.00 H new ATOM 0 HB2 GLU A 29 22.574 -10.768 3.030 1.00 0.00 H new ATOM 0 HB3 GLU A 29 21.298 -9.979 3.937 1.00 0.00 H new ATOM 0 HG2 GLU A 29 20.396 -12.291 4.527 1.00 0.00 H new ATOM 0 HG3 GLU A 29 21.819 -12.979 3.769 1.00 0.00 H new ATOM 441 N GLN A 30 21.566 -9.794 0.200 1.00 0.00 N ATOM 442 CA GLN A 30 21.708 -8.759 -0.842 1.00 0.00 C ATOM 443 C GLN A 30 20.410 -8.622 -1.669 1.00 0.00 C ATOM 444 O GLN A 30 20.047 -7.517 -2.090 1.00 0.00 O ATOM 445 CB GLN A 30 22.888 -9.121 -1.776 1.00 0.00 C ATOM 446 CG GLN A 30 24.261 -9.271 -1.083 1.00 0.00 C ATOM 447 CD GLN A 30 24.751 -7.988 -0.415 1.00 0.00 C ATOM 448 OE1 GLN A 30 24.483 -7.747 0.763 1.00 0.00 O ATOM 449 NE2 GLN A 30 25.465 -7.156 -1.164 1.00 0.00 N ATOM 0 H GLN A 30 22.163 -10.606 0.044 1.00 0.00 H new ATOM 0 HA GLN A 30 21.904 -7.804 -0.354 1.00 0.00 H new ATOM 0 HB2 GLN A 30 22.653 -10.056 -2.285 1.00 0.00 H new ATOM 0 HB3 GLN A 30 22.970 -8.352 -2.544 1.00 0.00 H new ATOM 0 HG2 GLN A 30 24.196 -10.059 -0.333 1.00 0.00 H new ATOM 0 HG3 GLN A 30 24.998 -9.592 -1.820 1.00 0.00 H new ATOM 0 HE21 GLN A 30 25.667 -7.390 -2.136 1.00 0.00 H new ATOM 0 HE22 GLN A 30 25.812 -6.283 -0.767 1.00 0.00 H new ATOM 458 N ALA A 31 19.722 -9.764 -1.886 1.00 0.00 N ATOM 459 CA ALA A 31 18.433 -9.801 -2.595 1.00 0.00 C ATOM 460 C ALA A 31 17.349 -9.205 -1.694 1.00 0.00 C ATOM 461 O ALA A 31 16.611 -8.319 -2.104 1.00 0.00 O ATOM 462 CB ALA A 31 18.081 -11.234 -3.030 1.00 0.00 C ATOM 0 H ALA A 31 20.046 -10.680 -1.575 1.00 0.00 H new ATOM 0 HA ALA A 31 18.504 -9.204 -3.504 1.00 0.00 H new ATOM 0 HB1 ALA A 31 17.124 -11.231 -3.551 1.00 0.00 H new ATOM 0 HB2 ALA A 31 18.856 -11.613 -3.696 1.00 0.00 H new ATOM 0 HB3 ALA A 31 18.013 -11.875 -2.151 1.00 0.00 H new ATOM 468 N ILE A 32 17.258 -9.742 -0.461 1.00 0.00 N ATOM 469 CA ILE A 32 16.478 -9.140 0.656 1.00 0.00 C ATOM 470 C ILE A 32 16.710 -7.621 0.829 1.00 0.00 C ATOM 471 O ILE A 32 15.788 -6.902 1.201 1.00 0.00 O ATOM 472 CB ILE A 32 16.787 -9.871 2.025 1.00 0.00 C ATOM 473 CG1 ILE A 32 16.568 -11.408 1.901 1.00 0.00 C ATOM 474 CG2 ILE A 32 15.951 -9.300 3.201 1.00 0.00 C ATOM 475 CD1 ILE A 32 15.160 -11.835 1.546 1.00 0.00 C ATOM 0 H ILE A 32 17.724 -10.612 -0.203 1.00 0.00 H new ATOM 0 HA ILE A 32 15.432 -9.280 0.383 1.00 0.00 H new ATOM 0 HB ILE A 32 17.837 -9.683 2.249 1.00 0.00 H new ATOM 0 HG12 ILE A 32 17.249 -11.795 1.143 1.00 0.00 H new ATOM 0 HG13 ILE A 32 16.844 -11.875 2.846 1.00 0.00 H new ATOM 0 HG21 ILE A 32 16.200 -9.835 4.118 1.00 0.00 H new ATOM 0 HG22 ILE A 32 16.176 -8.241 3.327 1.00 0.00 H new ATOM 0 HG23 ILE A 32 14.889 -9.423 2.986 1.00 0.00 H new ATOM 0 HD11 ILE A 32 15.114 -12.922 1.484 1.00 0.00 H new ATOM 0 HD12 ILE A 32 14.469 -11.486 2.314 1.00 0.00 H new ATOM 0 HD13 ILE A 32 14.881 -11.405 0.584 1.00 0.00 H new ATOM 487 N ALA A 33 17.913 -7.143 0.500 1.00 0.00 N ATOM 488 CA ALA A 33 18.255 -5.721 0.645 1.00 0.00 C ATOM 489 C ALA A 33 17.607 -4.915 -0.499 1.00 0.00 C ATOM 490 O ALA A 33 16.852 -3.963 -0.264 1.00 0.00 O ATOM 491 CB ALA A 33 19.778 -5.525 0.674 1.00 0.00 C ATOM 0 H ALA A 33 18.669 -7.719 0.131 1.00 0.00 H new ATOM 0 HA ALA A 33 17.864 -5.355 1.594 1.00 0.00 H new ATOM 0 HB1 ALA A 33 20.006 -4.465 0.782 1.00 0.00 H new ATOM 0 HB2 ALA A 33 20.200 -6.075 1.516 1.00 0.00 H new ATOM 0 HB3 ALA A 33 20.210 -5.897 -0.255 1.00 0.00 H new ATOM 497 N ASP A 34 17.925 -5.329 -1.740 1.00 0.00 N ATOM 498 CA ASP A 34 17.403 -4.711 -2.979 1.00 0.00 C ATOM 499 C ASP A 34 15.857 -4.705 -3.048 1.00 0.00 C ATOM 500 O ASP A 34 15.247 -3.676 -3.344 1.00 0.00 O ATOM 501 CB ASP A 34 17.975 -5.448 -4.218 1.00 0.00 C ATOM 502 CG ASP A 34 17.751 -4.667 -5.526 1.00 0.00 C ATOM 503 OD1 ASP A 34 18.369 -3.593 -5.689 1.00 0.00 O ATOM 504 OD2 ASP A 34 16.936 -5.094 -6.376 1.00 0.00 O ATOM 0 H ASP A 34 18.558 -6.110 -1.915 1.00 0.00 H new ATOM 0 HA ASP A 34 17.728 -3.671 -2.972 1.00 0.00 H new ATOM 0 HB2 ASP A 34 19.043 -5.614 -4.077 1.00 0.00 H new ATOM 0 HB3 ASP A 34 17.508 -6.429 -4.300 1.00 0.00 H new ATOM 509 N ALA A 35 15.253 -5.868 -2.765 1.00 0.00 N ATOM 510 CA ALA A 35 13.791 -6.078 -2.875 1.00 0.00 C ATOM 511 C ALA A 35 13.027 -5.414 -1.717 1.00 0.00 C ATOM 512 O ALA A 35 11.885 -5.007 -1.899 1.00 0.00 O ATOM 513 CB ALA A 35 13.457 -7.574 -2.969 1.00 0.00 C ATOM 0 H ALA A 35 15.761 -6.696 -2.452 1.00 0.00 H new ATOM 0 HA ALA A 35 13.463 -5.596 -3.796 1.00 0.00 H new ATOM 0 HB1 ALA A 35 12.377 -7.701 -3.049 1.00 0.00 H new ATOM 0 HB2 ALA A 35 13.939 -8.000 -3.849 1.00 0.00 H new ATOM 0 HB3 ALA A 35 13.817 -8.084 -2.076 1.00 0.00 H new ATOM 519 N ARG A 36 13.657 -5.307 -0.522 1.00 0.00 N ATOM 520 CA ARG A 36 13.087 -4.516 0.601 1.00 0.00 C ATOM 521 C ARG A 36 13.017 -3.043 0.192 1.00 0.00 C ATOM 522 O ARG A 36 11.955 -2.417 0.250 1.00 0.00 O ATOM 523 CB ARG A 36 13.939 -4.635 1.893 1.00 0.00 C ATOM 524 CG ARG A 36 13.416 -3.813 3.102 1.00 0.00 C ATOM 525 CD ARG A 36 14.477 -3.615 4.204 1.00 0.00 C ATOM 526 NE ARG A 36 14.915 -4.884 4.797 1.00 0.00 N ATOM 527 CZ ARG A 36 16.124 -5.452 4.656 1.00 0.00 C ATOM 528 NH1 ARG A 36 17.064 -4.900 3.894 1.00 0.00 N ATOM 529 NH2 ARG A 36 16.381 -6.583 5.285 1.00 0.00 N ATOM 0 H ARG A 36 14.550 -5.752 -0.310 1.00 0.00 H new ATOM 0 HA ARG A 36 12.094 -4.912 0.814 1.00 0.00 H new ATOM 0 HB2 ARG A 36 13.990 -5.685 2.181 1.00 0.00 H new ATOM 0 HB3 ARG A 36 14.957 -4.316 1.669 1.00 0.00 H new ATOM 0 HG2 ARG A 36 13.078 -2.838 2.752 1.00 0.00 H new ATOM 0 HG3 ARG A 36 12.548 -4.317 3.528 1.00 0.00 H new ATOM 0 HD2 ARG A 36 15.339 -3.097 3.785 1.00 0.00 H new ATOM 0 HD3 ARG A 36 14.069 -2.974 4.986 1.00 0.00 H new ATOM 0 HE ARG A 36 14.236 -5.383 5.372 1.00 0.00 H new ATOM 0 HH11 ARG A 36 16.874 -4.027 3.402 1.00 0.00 H new ATOM 0 HH12 ARG A 36 17.975 -5.350 3.802 1.00 0.00 H new ATOM 0 HH21 ARG A 36 15.666 -7.015 5.870 1.00 0.00 H new ATOM 0 HH22 ARG A 36 17.295 -7.025 5.187 1.00 0.00 H new ATOM 543 N LYS A 37 14.186 -2.529 -0.241 1.00 0.00 N ATOM 544 CA LYS A 37 14.363 -1.166 -0.766 1.00 0.00 C ATOM 545 C LYS A 37 13.343 -0.846 -1.868 1.00 0.00 C ATOM 546 O LYS A 37 12.769 0.237 -1.878 1.00 0.00 O ATOM 547 CB LYS A 37 15.803 -1.014 -1.332 1.00 0.00 C ATOM 548 CG LYS A 37 16.107 0.325 -2.055 1.00 0.00 C ATOM 549 CD LYS A 37 17.444 0.304 -2.831 1.00 0.00 C ATOM 550 CE LYS A 37 17.470 -0.772 -3.938 1.00 0.00 C ATOM 551 NZ LYS A 37 18.694 -0.701 -4.769 1.00 0.00 N ATOM 0 H LYS A 37 15.053 -3.066 -0.234 1.00 0.00 H new ATOM 0 HA LYS A 37 14.203 -0.465 0.053 1.00 0.00 H new ATOM 0 HB2 LYS A 37 16.510 -1.130 -0.511 1.00 0.00 H new ATOM 0 HB3 LYS A 37 15.987 -1.831 -2.029 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.295 0.550 -2.747 1.00 0.00 H new ATOM 0 HG3 LYS A 37 16.132 1.130 -1.321 1.00 0.00 H new ATOM 0 HD2 LYS A 37 17.617 1.283 -3.277 1.00 0.00 H new ATOM 0 HD3 LYS A 37 18.262 0.123 -2.134 1.00 0.00 H new ATOM 0 HE2 LYS A 37 17.401 -1.760 -3.482 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.594 -0.654 -4.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 18.846 -1.615 -5.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 18.585 0.046 -5.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 19.512 -0.484 -4.164 1.00 0.00 H new ATOM 565 N ALA A 38 13.083 -1.831 -2.747 1.00 0.00 N ATOM 566 CA ALA A 38 12.265 -1.637 -3.952 1.00 0.00 C ATOM 567 C ALA A 38 10.763 -1.705 -3.623 1.00 0.00 C ATOM 568 O ALA A 38 9.971 -0.963 -4.209 1.00 0.00 O ATOM 569 CB ALA A 38 12.625 -2.687 -5.012 1.00 0.00 C ATOM 0 H ALA A 38 13.435 -2.782 -2.639 1.00 0.00 H new ATOM 0 HA ALA A 38 12.478 -0.644 -4.348 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.012 -2.533 -5.900 1.00 0.00 H new ATOM 0 HB2 ALA A 38 13.678 -2.591 -5.277 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.441 -3.685 -4.613 1.00 0.00 H new ATOM 575 N THR A 39 10.385 -2.602 -2.677 1.00 0.00 N ATOM 576 CA THR A 39 8.983 -2.766 -2.241 1.00 0.00 C ATOM 577 C THR A 39 8.523 -1.499 -1.506 1.00 0.00 C ATOM 578 O THR A 39 7.443 -0.985 -1.779 1.00 0.00 O ATOM 579 CB THR A 39 8.793 -4.046 -1.339 1.00 0.00 C ATOM 580 OG1 THR A 39 9.136 -5.227 -2.085 1.00 0.00 O ATOM 581 CG2 THR A 39 7.353 -4.199 -0.817 1.00 0.00 C ATOM 0 H THR A 39 11.039 -3.224 -2.202 1.00 0.00 H new ATOM 0 HA THR A 39 8.363 -2.912 -3.126 1.00 0.00 H new ATOM 0 HB THR A 39 9.452 -3.921 -0.480 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.111 -5.316 -2.127 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.282 -5.097 -0.203 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.089 -3.328 -0.218 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.667 -4.281 -1.660 1.00 0.00 H new ATOM 589 N ILE A 40 9.393 -0.983 -0.620 1.00 0.00 N ATOM 590 CA ILE A 40 9.174 0.291 0.090 1.00 0.00 C ATOM 591 C ILE A 40 9.101 1.460 -0.920 1.00 0.00 C ATOM 592 O ILE A 40 8.090 2.156 -0.987 1.00 0.00 O ATOM 593 CB ILE A 40 10.313 0.523 1.163 1.00 0.00 C ATOM 594 CG1 ILE A 40 10.236 -0.557 2.290 1.00 0.00 C ATOM 595 CG2 ILE A 40 10.273 1.949 1.767 1.00 0.00 C ATOM 596 CD1 ILE A 40 8.971 -0.515 3.135 1.00 0.00 C ATOM 0 H ILE A 40 10.272 -1.439 -0.375 1.00 0.00 H new ATOM 0 HA ILE A 40 8.222 0.246 0.619 1.00 0.00 H new ATOM 0 HB ILE A 40 11.266 0.424 0.644 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.317 -1.543 1.833 1.00 0.00 H new ATOM 0 HG13 ILE A 40 11.098 -0.437 2.947 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.075 2.057 2.498 1.00 0.00 H new ATOM 0 HG22 ILE A 40 10.404 2.684 0.973 1.00 0.00 H new ATOM 0 HG23 ILE A 40 9.312 2.110 2.256 1.00 0.00 H new ATOM 0 HD11 ILE A 40 9.011 -1.301 3.889 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.894 0.455 3.626 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.101 -0.668 2.496 1.00 0.00 H new ATOM 608 N LEU A 41 10.154 1.588 -1.752 1.00 0.00 N ATOM 609 CA LEU A 41 10.283 2.651 -2.788 1.00 0.00 C ATOM 610 C LEU A 41 9.050 2.722 -3.706 1.00 0.00 C ATOM 611 O LEU A 41 8.605 3.812 -4.071 1.00 0.00 O ATOM 612 CB LEU A 41 11.604 2.432 -3.609 1.00 0.00 C ATOM 613 CG LEU A 41 11.708 3.055 -5.053 1.00 0.00 C ATOM 614 CD1 LEU A 41 13.145 3.526 -5.368 1.00 0.00 C ATOM 615 CD2 LEU A 41 11.234 2.055 -6.137 1.00 0.00 C ATOM 0 H LEU A 41 10.952 0.953 -1.729 1.00 0.00 H new ATOM 0 HA LEU A 41 10.339 3.615 -2.282 1.00 0.00 H new ATOM 0 HB2 LEU A 41 12.430 2.827 -3.018 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.763 1.357 -3.700 1.00 0.00 H new ATOM 0 HG LEU A 41 11.049 3.923 -5.068 1.00 0.00 H new ATOM 0 HD11 LEU A 41 13.177 3.950 -6.372 1.00 0.00 H new ATOM 0 HD12 LEU A 41 13.446 4.284 -4.645 1.00 0.00 H new ATOM 0 HD13 LEU A 41 13.827 2.678 -5.310 1.00 0.00 H new ATOM 0 HD21 LEU A 41 11.319 2.517 -7.120 1.00 0.00 H new ATOM 0 HD22 LEU A 41 11.854 1.159 -6.102 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.195 1.784 -5.952 1.00 0.00 H new ATOM 627 N GLN A 42 8.499 1.550 -4.041 1.00 0.00 N ATOM 628 CA GLN A 42 7.360 1.438 -4.963 1.00 0.00 C ATOM 629 C GLN A 42 6.057 1.785 -4.231 1.00 0.00 C ATOM 630 O GLN A 42 5.293 2.624 -4.701 1.00 0.00 O ATOM 631 CB GLN A 42 7.299 0.008 -5.556 1.00 0.00 C ATOM 632 CG GLN A 42 6.141 -0.242 -6.542 1.00 0.00 C ATOM 633 CD GLN A 42 6.230 -1.598 -7.232 1.00 0.00 C ATOM 634 OE1 GLN A 42 6.832 -1.729 -8.301 1.00 0.00 O ATOM 635 NE2 GLN A 42 5.644 -2.618 -6.626 1.00 0.00 N ATOM 0 H GLN A 42 8.828 0.654 -3.682 1.00 0.00 H new ATOM 0 HA GLN A 42 7.489 2.144 -5.784 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.240 -0.198 -6.066 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.218 -0.706 -4.736 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.194 -0.174 -6.007 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.137 0.544 -7.297 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.155 -2.474 -5.743 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.682 -3.548 -7.042 1.00 0.00 H new ATOM 644 N THR A 43 5.859 1.160 -3.050 1.00 0.00 N ATOM 645 CA THR A 43 4.637 1.316 -2.232 1.00 0.00 C ATOM 646 C THR A 43 4.376 2.793 -1.902 1.00 0.00 C ATOM 647 O THR A 43 3.328 3.298 -2.226 1.00 0.00 O ATOM 648 CB THR A 43 4.704 0.493 -0.899 1.00 0.00 C ATOM 649 OG1 THR A 43 4.801 -0.906 -1.200 1.00 0.00 O ATOM 650 CG2 THR A 43 3.488 0.723 0.026 1.00 0.00 C ATOM 0 H THR A 43 6.546 0.530 -2.636 1.00 0.00 H new ATOM 0 HA THR A 43 3.816 0.927 -2.833 1.00 0.00 H new ATOM 0 HB THR A 43 5.587 0.843 -0.364 1.00 0.00 H new ATOM 0 HG1 THR A 43 5.721 -1.122 -1.458 1.00 0.00 H new ATOM 0 HG21 THR A 43 3.599 0.123 0.929 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.430 1.778 0.295 1.00 0.00 H new ATOM 0 HG23 THR A 43 2.575 0.431 -0.493 1.00 0.00 H new ATOM 658 N LEU A 44 5.378 3.466 -1.314 1.00 0.00 N ATOM 659 CA LEU A 44 5.245 4.853 -0.801 1.00 0.00 C ATOM 660 C LEU A 44 4.982 5.848 -1.947 1.00 0.00 C ATOM 661 O LEU A 44 4.116 6.727 -1.849 1.00 0.00 O ATOM 662 CB LEU A 44 6.527 5.249 -0.030 1.00 0.00 C ATOM 663 CG LEU A 44 7.018 4.247 1.062 1.00 0.00 C ATOM 664 CD1 LEU A 44 8.174 4.831 1.897 1.00 0.00 C ATOM 665 CD2 LEU A 44 5.855 3.740 1.940 1.00 0.00 C ATOM 0 H LEU A 44 6.308 3.069 -1.177 1.00 0.00 H new ATOM 0 HA LEU A 44 4.391 4.890 -0.125 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.331 5.388 -0.753 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.355 6.215 0.445 1.00 0.00 H new ATOM 0 HG LEU A 44 7.418 3.376 0.544 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.486 4.103 2.645 1.00 0.00 H new ATOM 0 HD12 LEU A 44 9.015 5.062 1.243 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.840 5.742 2.394 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.239 3.045 2.687 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.381 4.585 2.440 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.122 3.231 1.314 1.00 0.00 H new ATOM 677 N ARG A 45 5.741 5.663 -3.032 1.00 0.00 N ATOM 678 CA ARG A 45 5.639 6.467 -4.261 1.00 0.00 C ATOM 679 C ARG A 45 4.209 6.405 -4.837 1.00 0.00 C ATOM 680 O ARG A 45 3.610 7.430 -5.191 1.00 0.00 O ATOM 681 CB ARG A 45 6.671 5.921 -5.280 1.00 0.00 C ATOM 682 CG ARG A 45 6.768 6.671 -6.618 1.00 0.00 C ATOM 683 CD ARG A 45 7.865 6.104 -7.539 1.00 0.00 C ATOM 684 NE ARG A 45 9.199 6.141 -6.905 1.00 0.00 N ATOM 685 CZ ARG A 45 10.365 6.171 -7.564 1.00 0.00 C ATOM 686 NH1 ARG A 45 10.403 6.183 -8.886 1.00 0.00 N ATOM 687 NH2 ARG A 45 11.499 6.216 -6.885 1.00 0.00 N ATOM 0 H ARG A 45 6.457 4.938 -3.085 1.00 0.00 H new ATOM 0 HA ARG A 45 5.853 7.513 -4.042 1.00 0.00 H new ATOM 0 HB2 ARG A 45 7.654 5.931 -4.810 1.00 0.00 H new ATOM 0 HB3 ARG A 45 6.428 4.879 -5.488 1.00 0.00 H new ATOM 0 HG2 ARG A 45 5.807 6.619 -7.130 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.970 7.725 -6.425 1.00 0.00 H new ATOM 0 HD2 ARG A 45 7.619 5.076 -7.804 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.889 6.675 -8.467 1.00 0.00 H new ATOM 0 HE ARG A 45 9.235 6.144 -5.886 1.00 0.00 H new ATOM 0 HH11 ARG A 45 9.535 6.169 -9.421 1.00 0.00 H new ATOM 0 HH12 ARG A 45 11.300 6.206 -9.370 1.00 0.00 H new ATOM 0 HH21 ARG A 45 11.483 6.228 -5.865 1.00 0.00 H new ATOM 0 HH22 ARG A 45 12.390 6.239 -7.381 1.00 0.00 H new ATOM 701 N ILE A 46 3.671 5.177 -4.885 1.00 0.00 N ATOM 702 CA ILE A 46 2.319 4.896 -5.393 1.00 0.00 C ATOM 703 C ILE A 46 1.234 5.320 -4.370 1.00 0.00 C ATOM 704 O ILE A 46 0.206 5.861 -4.759 1.00 0.00 O ATOM 705 CB ILE A 46 2.184 3.362 -5.757 1.00 0.00 C ATOM 706 CG1 ILE A 46 3.129 2.996 -6.947 1.00 0.00 C ATOM 707 CG2 ILE A 46 0.723 2.955 -6.070 1.00 0.00 C ATOM 708 CD1 ILE A 46 3.086 1.529 -7.363 1.00 0.00 C ATOM 0 H ILE A 46 4.167 4.343 -4.569 1.00 0.00 H new ATOM 0 HA ILE A 46 2.163 5.485 -6.297 1.00 0.00 H new ATOM 0 HB ILE A 46 2.488 2.795 -4.877 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.865 3.612 -7.807 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.152 3.253 -6.674 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.685 1.893 -6.314 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.097 3.150 -5.200 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.357 3.535 -6.918 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.772 1.366 -8.194 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.381 0.903 -6.521 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.074 1.268 -7.672 1.00 0.00 H new ATOM 720 N GLU A 47 1.523 5.132 -3.067 1.00 0.00 N ATOM 721 CA GLU A 47 0.534 5.257 -1.960 1.00 0.00 C ATOM 722 C GLU A 47 0.058 6.714 -1.827 1.00 0.00 C ATOM 723 O GLU A 47 -1.115 6.971 -1.534 1.00 0.00 O ATOM 724 CB GLU A 47 1.146 4.736 -0.613 1.00 0.00 C ATOM 725 CG GLU A 47 0.186 3.949 0.309 1.00 0.00 C ATOM 726 CD GLU A 47 -1.063 4.732 0.749 1.00 0.00 C ATOM 727 OE1 GLU A 47 -0.922 5.659 1.573 1.00 0.00 O ATOM 728 OE2 GLU A 47 -2.183 4.413 0.295 1.00 0.00 O ATOM 0 H GLU A 47 2.458 4.886 -2.742 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.333 4.639 -2.195 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.998 4.097 -0.847 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.532 5.591 -0.058 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.132 3.043 -0.207 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.733 3.634 1.197 1.00 0.00 H new ATOM 735 N ARG A 48 0.997 7.649 -2.059 1.00 0.00 N ATOM 736 CA ARG A 48 0.707 9.093 -2.134 1.00 0.00 C ATOM 737 C ARG A 48 -0.364 9.364 -3.202 1.00 0.00 C ATOM 738 O ARG A 48 -1.292 10.143 -2.987 1.00 0.00 O ATOM 739 CB ARG A 48 1.988 9.874 -2.504 1.00 0.00 C ATOM 740 CG ARG A 48 1.804 11.412 -2.595 1.00 0.00 C ATOM 741 CD ARG A 48 2.952 12.103 -3.342 1.00 0.00 C ATOM 742 NE ARG A 48 3.029 11.680 -4.763 1.00 0.00 N ATOM 743 CZ ARG A 48 3.946 10.844 -5.298 1.00 0.00 C ATOM 744 NH1 ARG A 48 4.893 10.281 -4.544 1.00 0.00 N ATOM 745 NH2 ARG A 48 3.911 10.585 -6.600 1.00 0.00 N ATOM 0 H ARG A 48 1.982 7.424 -2.200 1.00 0.00 H new ATOM 0 HA ARG A 48 0.345 9.421 -1.160 1.00 0.00 H new ATOM 0 HB2 ARG A 48 2.757 9.657 -1.763 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.357 9.508 -3.462 1.00 0.00 H new ATOM 0 HG2 ARG A 48 0.863 11.632 -3.100 1.00 0.00 H new ATOM 0 HG3 ARG A 48 1.730 11.825 -1.589 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.817 13.184 -3.293 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.895 11.876 -2.845 1.00 0.00 H new ATOM 0 HE ARG A 48 2.323 12.056 -5.395 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.934 10.479 -3.544 1.00 0.00 H new ATOM 0 HH12 ARG A 48 5.576 9.653 -4.968 1.00 0.00 H new ATOM 0 HH21 ARG A 48 3.196 11.016 -7.187 1.00 0.00 H new ATOM 0 HH22 ARG A 48 4.599 9.955 -7.013 1.00 0.00 H new ATOM 759 N ASP A 49 -0.211 8.699 -4.357 1.00 0.00 N ATOM 760 CA ASP A 49 -1.103 8.887 -5.508 1.00 0.00 C ATOM 761 C ASP A 49 -2.433 8.133 -5.310 1.00 0.00 C ATOM 762 O ASP A 49 -3.463 8.546 -5.852 1.00 0.00 O ATOM 763 CB ASP A 49 -0.395 8.446 -6.811 1.00 0.00 C ATOM 764 CG ASP A 49 -1.102 8.972 -8.071 1.00 0.00 C ATOM 765 OD1 ASP A 49 -0.807 10.113 -8.488 1.00 0.00 O ATOM 766 OD2 ASP A 49 -1.964 8.269 -8.631 1.00 0.00 O ATOM 0 H ASP A 49 0.532 8.019 -4.518 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.341 9.948 -5.590 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.635 8.803 -6.800 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.355 7.357 -6.848 1.00 0.00 H new ATOM 771 N GLU A 50 -2.400 7.043 -4.512 1.00 0.00 N ATOM 772 CA GLU A 50 -3.602 6.258 -4.173 1.00 0.00 C ATOM 773 C GLU A 50 -4.563 7.100 -3.332 1.00 0.00 C ATOM 774 O GLU A 50 -5.769 7.089 -3.561 1.00 0.00 O ATOM 775 CB GLU A 50 -3.249 4.952 -3.407 1.00 0.00 C ATOM 776 CG GLU A 50 -2.319 3.985 -4.162 1.00 0.00 C ATOM 777 CD GLU A 50 -2.872 3.500 -5.516 1.00 0.00 C ATOM 778 OE1 GLU A 50 -2.707 4.204 -6.541 1.00 0.00 O ATOM 779 OE2 GLU A 50 -3.453 2.396 -5.570 1.00 0.00 O ATOM 0 H GLU A 50 -1.544 6.686 -4.088 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.080 5.978 -5.112 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.779 5.220 -2.461 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.174 4.429 -3.166 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.361 4.477 -4.330 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.126 3.118 -3.530 1.00 0.00 H new ATOM 786 N ARG A 51 -4.003 7.835 -2.363 1.00 0.00 N ATOM 787 CA ARG A 51 -4.783 8.717 -1.475 1.00 0.00 C ATOM 788 C ARG A 51 -5.168 10.042 -2.173 1.00 0.00 C ATOM 789 O ARG A 51 -6.144 10.671 -1.777 1.00 0.00 O ATOM 790 CB ARG A 51 -4.040 8.962 -0.130 1.00 0.00 C ATOM 791 CG ARG A 51 -2.631 9.552 -0.252 1.00 0.00 C ATOM 792 CD ARG A 51 -1.949 9.769 1.104 1.00 0.00 C ATOM 793 NE ARG A 51 -1.846 8.532 1.885 1.00 0.00 N ATOM 794 CZ ARG A 51 -2.103 8.421 3.196 1.00 0.00 C ATOM 795 NH1 ARG A 51 -2.627 9.433 3.879 1.00 0.00 N ATOM 796 NH2 ARG A 51 -1.848 7.283 3.810 1.00 0.00 N ATOM 0 H ARG A 51 -3.001 7.838 -2.170 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.716 8.204 -1.242 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.644 9.632 0.482 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.973 8.015 0.406 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.016 8.887 -0.858 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.687 10.504 -0.780 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.951 10.178 0.944 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.509 10.510 1.675 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.555 7.688 1.391 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -2.840 10.311 3.406 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -2.816 9.332 4.876 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.459 6.498 3.288 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.040 7.187 4.807 1.00 0.00 H new ATOM 810 N LEU A 52 -4.384 10.463 -3.192 1.00 0.00 N ATOM 811 CA LEU A 52 -4.728 11.623 -4.059 1.00 0.00 C ATOM 812 C LEU A 52 -5.985 11.322 -4.901 1.00 0.00 C ATOM 813 O LEU A 52 -6.940 12.116 -4.912 1.00 0.00 O ATOM 814 CB LEU A 52 -3.526 11.979 -4.985 1.00 0.00 C ATOM 815 CG LEU A 52 -2.393 12.835 -4.337 1.00 0.00 C ATOM 816 CD1 LEU A 52 -1.104 12.799 -5.177 1.00 0.00 C ATOM 817 CD2 LEU A 52 -2.878 14.286 -4.117 1.00 0.00 C ATOM 0 H LEU A 52 -3.501 10.015 -3.438 1.00 0.00 H new ATOM 0 HA LEU A 52 -4.943 12.479 -3.419 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -3.088 11.051 -5.352 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.908 12.516 -5.853 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.153 12.400 -3.367 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.338 13.406 -4.694 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.753 11.771 -5.260 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.307 13.195 -6.172 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.078 14.872 -3.664 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.154 14.727 -5.075 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.745 14.284 -3.456 1.00 0.00 H new ATOM 829 N ARG A 53 -5.972 10.161 -5.590 1.00 0.00 N ATOM 830 CA ARG A 53 -7.078 9.736 -6.475 1.00 0.00 C ATOM 831 C ARG A 53 -8.312 9.330 -5.646 1.00 0.00 C ATOM 832 O ARG A 53 -9.447 9.513 -6.094 1.00 0.00 O ATOM 833 CB ARG A 53 -6.618 8.577 -7.419 1.00 0.00 C ATOM 834 CG ARG A 53 -6.261 7.247 -6.711 1.00 0.00 C ATOM 835 CD ARG A 53 -5.837 6.123 -7.675 1.00 0.00 C ATOM 836 NE ARG A 53 -4.549 6.374 -8.353 1.00 0.00 N ATOM 837 CZ ARG A 53 -4.101 5.672 -9.414 1.00 0.00 C ATOM 838 NH1 ARG A 53 -4.873 4.776 -10.019 1.00 0.00 N ATOM 839 NH2 ARG A 53 -2.892 5.898 -9.887 1.00 0.00 N ATOM 0 H ARG A 53 -5.200 9.496 -5.549 1.00 0.00 H new ATOM 0 HA ARG A 53 -7.362 10.581 -7.103 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -7.411 8.383 -8.141 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.748 8.914 -7.983 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -5.453 7.429 -6.002 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.122 6.911 -6.133 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.769 5.187 -7.120 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -6.614 5.991 -8.428 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.960 7.127 -7.996 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.821 4.610 -9.682 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.517 4.254 -10.820 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.297 6.603 -9.451 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.551 5.368 -10.689 1.00 0.00 H new ATOM 853 N ALA A 54 -8.070 8.811 -4.420 1.00 0.00 N ATOM 854 CA ALA A 54 -9.139 8.422 -3.477 1.00 0.00 C ATOM 855 C ALA A 54 -9.849 9.665 -2.921 1.00 0.00 C ATOM 856 O ALA A 54 -11.077 9.710 -2.876 1.00 0.00 O ATOM 857 CB ALA A 54 -8.577 7.581 -2.323 1.00 0.00 C ATOM 0 H ALA A 54 -7.129 8.651 -4.059 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.862 7.818 -4.025 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -9.385 7.309 -1.644 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -8.118 6.677 -2.722 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.828 8.160 -1.782 1.00 0.00 H new ATOM 863 N CYS A 55 -9.042 10.685 -2.531 1.00 0.00 N ATOM 864 CA CYS A 55 -9.539 11.952 -1.931 1.00 0.00 C ATOM 865 C CYS A 55 -10.423 12.748 -2.906 1.00 0.00 C ATOM 866 O CYS A 55 -11.153 13.645 -2.489 1.00 0.00 O ATOM 867 CB CYS A 55 -8.358 12.837 -1.468 1.00 0.00 C ATOM 868 SG CYS A 55 -8.833 14.424 -0.741 1.00 0.00 S ATOM 0 H CYS A 55 -8.027 10.653 -2.624 1.00 0.00 H new ATOM 0 HA CYS A 55 -10.148 11.675 -1.071 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -7.771 12.281 -0.737 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -7.708 13.026 -2.322 1.00 0.00 H new ATOM 0 HG CYS A 55 -10.011 14.765 -1.174 1.00 0.00 H new ATOM 874 N ASP A 56 -10.376 12.395 -4.201 1.00 0.00 N ATOM 875 CA ASP A 56 -11.173 13.070 -5.243 1.00 0.00 C ATOM 876 C ASP A 56 -12.693 12.773 -5.099 1.00 0.00 C ATOM 877 O ASP A 56 -13.513 13.442 -5.731 1.00 0.00 O ATOM 878 CB ASP A 56 -10.646 12.670 -6.646 1.00 0.00 C ATOM 879 CG ASP A 56 -11.238 13.518 -7.791 1.00 0.00 C ATOM 880 OD1 ASP A 56 -11.124 14.766 -7.743 1.00 0.00 O ATOM 881 OD2 ASP A 56 -11.793 12.947 -8.752 1.00 0.00 O ATOM 0 H ASP A 56 -9.789 11.639 -4.555 1.00 0.00 H new ATOM 0 HA ASP A 56 -11.057 14.147 -5.118 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -9.560 12.765 -6.658 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -10.876 11.620 -6.826 1.00 0.00 H new ATOM 886 N TRP A 57 -13.061 11.795 -4.225 1.00 0.00 N ATOM 887 CA TRP A 57 -14.479 11.432 -3.943 1.00 0.00 C ATOM 888 C TRP A 57 -15.279 12.647 -3.409 1.00 0.00 C ATOM 889 O TRP A 57 -16.461 12.784 -3.696 1.00 0.00 O ATOM 890 CB TRP A 57 -14.572 10.241 -2.923 1.00 0.00 C ATOM 891 CG TRP A 57 -14.315 10.603 -1.459 1.00 0.00 C ATOM 892 CD1 TRP A 57 -13.107 10.690 -0.820 1.00 0.00 C ATOM 893 CD2 TRP A 57 -15.301 10.952 -0.466 1.00 0.00 C ATOM 894 NE1 TRP A 57 -13.285 11.060 0.488 1.00 0.00 N ATOM 895 CE2 TRP A 57 -14.620 11.227 0.728 1.00 0.00 C ATOM 896 CE3 TRP A 57 -16.699 11.062 -0.481 1.00 0.00 C ATOM 897 CZ2 TRP A 57 -15.282 11.599 1.899 1.00 0.00 C ATOM 898 CZ3 TRP A 57 -17.355 11.425 0.681 1.00 0.00 C ATOM 899 CH2 TRP A 57 -16.645 11.698 1.856 1.00 0.00 C ATOM 0 H TRP A 57 -12.387 11.239 -3.699 1.00 0.00 H new ATOM 0 HA TRP A 57 -14.920 11.116 -4.888 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -15.564 9.797 -3.000 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -13.856 9.475 -3.220 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -12.150 10.495 -1.281 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -12.540 11.190 1.173 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -17.255 10.866 -1.386 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -14.736 11.802 2.808 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -18.432 11.499 0.682 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -17.184 11.992 2.745 1.00 0.00 H new ATOM 910 N THR A 58 -14.599 13.492 -2.613 1.00 0.00 N ATOM 911 CA THR A 58 -15.195 14.680 -1.960 1.00 0.00 C ATOM 912 C THR A 58 -14.983 15.943 -2.806 1.00 0.00 C ATOM 913 O THR A 58 -15.697 16.941 -2.645 1.00 0.00 O ATOM 914 CB THR A 58 -14.617 14.866 -0.518 1.00 0.00 C ATOM 915 OG1 THR A 58 -15.061 16.093 0.082 1.00 0.00 O ATOM 916 CG2 THR A 58 -13.094 14.816 -0.508 1.00 0.00 C ATOM 0 H THR A 58 -13.609 13.371 -2.400 1.00 0.00 H new ATOM 0 HA THR A 58 -16.269 14.515 -1.877 1.00 0.00 H new ATOM 0 HB THR A 58 -14.998 14.032 0.072 1.00 0.00 H new ATOM 0 HG1 THR A 58 -14.681 16.173 0.982 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.732 14.949 0.512 1.00 0.00 H new ATOM 0 HG22 THR A 58 -12.759 13.851 -0.889 1.00 0.00 H new ATOM 0 HG23 THR A 58 -12.700 15.612 -1.140 1.00 0.00 H new ATOM 924 N GLN A 59 -14.000 15.874 -3.713 1.00 0.00 N ATOM 925 CA GLN A 59 -13.621 16.996 -4.581 1.00 0.00 C ATOM 926 C GLN A 59 -14.589 17.106 -5.779 1.00 0.00 C ATOM 927 O GLN A 59 -14.759 18.193 -6.344 1.00 0.00 O ATOM 928 CB GLN A 59 -12.155 16.821 -5.056 1.00 0.00 C ATOM 929 CG GLN A 59 -11.124 16.600 -3.921 1.00 0.00 C ATOM 930 CD GLN A 59 -10.996 17.775 -2.946 1.00 0.00 C ATOM 931 OE1 GLN A 59 -11.789 17.767 -1.882 1.00 0.00 O flip ATOM 932 NE2 GLN A 59 -10.191 18.678 -3.151 1.00 0.00 N flip ATOM 0 H GLN A 59 -13.442 15.034 -3.866 1.00 0.00 H new ATOM 0 HA GLN A 59 -13.690 17.925 -4.015 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -12.109 15.973 -5.739 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -11.864 17.705 -5.624 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -11.404 15.708 -3.361 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -10.148 16.404 -4.366 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -9.596 18.653 -3.979 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -10.116 19.454 -2.493 1.00 0.00 H new ATOM 941 N VAL A 60 -15.228 15.974 -6.151 1.00 0.00 N ATOM 942 CA VAL A 60 -16.261 15.948 -7.212 1.00 0.00 C ATOM 943 C VAL A 60 -17.599 16.512 -6.686 1.00 0.00 C ATOM 944 O VAL A 60 -17.872 16.472 -5.479 1.00 0.00 O ATOM 945 CB VAL A 60 -16.472 14.504 -7.813 1.00 0.00 C ATOM 946 CG1 VAL A 60 -15.171 13.985 -8.478 1.00 0.00 C ATOM 947 CG2 VAL A 60 -17.004 13.503 -6.750 1.00 0.00 C ATOM 0 H VAL A 60 -15.046 15.063 -5.730 1.00 0.00 H new ATOM 0 HA VAL A 60 -15.899 16.584 -8.020 1.00 0.00 H new ATOM 0 HB VAL A 60 -17.237 14.582 -8.585 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -15.343 12.988 -8.884 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -14.880 14.660 -9.283 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -14.375 13.942 -7.735 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -17.135 12.522 -7.207 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -16.290 13.429 -5.930 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -17.962 13.855 -6.366 1.00 0.00 H new ATOM 957 N GLN A 61 -18.432 17.024 -7.615 1.00 0.00 N ATOM 958 CA GLN A 61 -19.710 17.704 -7.285 1.00 0.00 C ATOM 959 C GLN A 61 -20.882 16.705 -7.091 1.00 0.00 C ATOM 960 O GLN A 61 -22.035 17.121 -6.904 1.00 0.00 O ATOM 961 CB GLN A 61 -20.054 18.740 -8.391 1.00 0.00 C ATOM 962 CG GLN A 61 -20.258 18.144 -9.800 1.00 0.00 C ATOM 963 CD GLN A 61 -20.646 19.184 -10.856 1.00 0.00 C ATOM 964 OE1 GLN A 61 -21.291 20.191 -10.550 1.00 0.00 O ATOM 965 NE2 GLN A 61 -20.260 18.947 -12.107 1.00 0.00 N ATOM 0 H GLN A 61 -18.241 16.980 -8.616 1.00 0.00 H new ATOM 0 HA GLN A 61 -19.574 18.216 -6.332 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -20.961 19.270 -8.102 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -19.254 19.479 -8.437 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -19.339 17.647 -10.112 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -21.033 17.379 -9.753 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -19.728 18.105 -12.326 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -20.496 19.608 -12.847 1.00 0.00 H new ATOM 974 N ASP A 62 -20.574 15.398 -7.136 1.00 0.00 N ATOM 975 CA ASP A 62 -21.564 14.318 -6.916 1.00 0.00 C ATOM 976 C ASP A 62 -21.984 14.256 -5.438 1.00 0.00 C ATOM 977 O ASP A 62 -23.172 14.122 -5.124 1.00 0.00 O ATOM 978 CB ASP A 62 -20.984 12.947 -7.359 1.00 0.00 C ATOM 979 CG ASP A 62 -20.740 12.851 -8.874 1.00 0.00 C ATOM 980 OD1 ASP A 62 -19.757 13.442 -9.362 1.00 0.00 O ATOM 981 OD2 ASP A 62 -21.537 12.193 -9.585 1.00 0.00 O ATOM 0 H ASP A 62 -19.632 15.055 -7.326 1.00 0.00 H new ATOM 0 HA ASP A 62 -22.444 14.540 -7.520 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -20.045 12.771 -6.835 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -21.670 12.156 -7.058 1.00 0.00 H new ATOM 986 N VAL A 63 -20.992 14.334 -4.540 1.00 0.00 N ATOM 987 CA VAL A 63 -21.215 14.253 -3.088 1.00 0.00 C ATOM 988 C VAL A 63 -21.515 15.655 -2.510 1.00 0.00 C ATOM 989 O VAL A 63 -21.065 16.681 -3.053 1.00 0.00 O ATOM 990 CB VAL A 63 -19.968 13.616 -2.365 1.00 0.00 C ATOM 991 CG1 VAL A 63 -18.735 14.533 -2.476 1.00 0.00 C ATOM 992 CG2 VAL A 63 -20.273 13.249 -0.888 1.00 0.00 C ATOM 0 H VAL A 63 -20.013 14.455 -4.799 1.00 0.00 H new ATOM 0 HA VAL A 63 -22.077 13.611 -2.910 1.00 0.00 H new ATOM 0 HB VAL A 63 -19.739 12.683 -2.880 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -17.889 14.069 -1.968 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -18.488 14.685 -3.527 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -18.954 15.494 -2.011 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -19.385 12.813 -0.430 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -20.559 14.148 -0.341 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -21.090 12.528 -0.853 1.00 0.00 H new ATOM 1002 N VAL A 64 -22.273 15.684 -1.404 1.00 0.00 N ATOM 1003 CA VAL A 64 -22.607 16.908 -0.674 1.00 0.00 C ATOM 1004 C VAL A 64 -21.998 16.826 0.738 1.00 0.00 C ATOM 1005 O VAL A 64 -22.275 15.890 1.492 1.00 0.00 O ATOM 1006 CB VAL A 64 -24.165 17.142 -0.593 1.00 0.00 C ATOM 1007 CG1 VAL A 64 -24.498 18.445 0.181 1.00 0.00 C ATOM 1008 CG2 VAL A 64 -24.803 17.156 -2.010 1.00 0.00 C ATOM 0 H VAL A 64 -22.675 14.844 -0.988 1.00 0.00 H new ATOM 0 HA VAL A 64 -22.189 17.758 -1.213 1.00 0.00 H new ATOM 0 HB VAL A 64 -24.597 16.308 -0.040 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -25.579 18.579 0.220 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -24.104 18.377 1.195 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -24.045 19.296 -0.328 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -25.877 17.319 -1.924 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -24.360 17.958 -2.600 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -24.619 16.200 -2.501 1.00 0.00 H new ATOM 1018 N LEU A 65 -21.146 17.803 1.050 1.00 0.00 N ATOM 1019 CA LEU A 65 -20.483 17.965 2.356 1.00 0.00 C ATOM 1020 C LEU A 65 -20.399 19.466 2.645 1.00 0.00 C ATOM 1021 O LEU A 65 -20.551 20.281 1.726 1.00 0.00 O ATOM 1022 CB LEU A 65 -19.053 17.333 2.333 1.00 0.00 C ATOM 1023 CG LEU A 65 -18.962 15.772 2.400 1.00 0.00 C ATOM 1024 CD1 LEU A 65 -17.553 15.273 2.011 1.00 0.00 C ATOM 1025 CD2 LEU A 65 -19.355 15.264 3.804 1.00 0.00 C ATOM 0 H LEU A 65 -20.886 18.530 0.383 1.00 0.00 H new ATOM 0 HA LEU A 65 -21.051 17.455 3.134 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -18.552 17.662 1.422 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -18.489 17.741 3.172 1.00 0.00 H new ATOM 0 HG LEU A 65 -19.668 15.365 1.676 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -17.524 14.185 2.068 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -17.323 15.589 0.994 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -16.816 15.692 2.697 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -19.285 14.177 3.830 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -18.680 15.689 4.547 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -20.378 15.568 4.028 1.00 0.00 H new ATOM 1037 N THR A 66 -20.116 19.836 3.903 1.00 0.00 N ATOM 1038 CA THR A 66 -19.964 21.250 4.285 1.00 0.00 C ATOM 1039 C THR A 66 -18.628 21.790 3.739 1.00 0.00 C ATOM 1040 O THR A 66 -17.722 21.003 3.421 1.00 0.00 O ATOM 1041 CB THR A 66 -20.016 21.431 5.839 1.00 0.00 C ATOM 1042 OG1 THR A 66 -18.964 20.668 6.447 1.00 0.00 O ATOM 1043 CG2 THR A 66 -21.378 21.002 6.432 1.00 0.00 C ATOM 0 H THR A 66 -19.988 19.178 4.672 1.00 0.00 H new ATOM 0 HA THR A 66 -20.793 21.811 3.855 1.00 0.00 H new ATOM 0 HB THR A 66 -19.885 22.492 6.052 1.00 0.00 H new ATOM 0 HG1 THR A 66 -19.091 20.653 7.419 1.00 0.00 H new ATOM 0 HG21 THR A 66 -21.366 21.146 7.512 1.00 0.00 H new ATOM 0 HG22 THR A 66 -22.172 21.607 5.994 1.00 0.00 H new ATOM 0 HG23 THR A 66 -21.557 19.950 6.208 1.00 0.00 H new ATOM 1051 N ALA A 67 -18.522 23.122 3.612 1.00 0.00 N ATOM 1052 CA ALA A 67 -17.257 23.784 3.231 1.00 0.00 C ATOM 1053 C ALA A 67 -16.141 23.413 4.231 1.00 0.00 C ATOM 1054 O ALA A 67 -14.995 23.222 3.845 1.00 0.00 O ATOM 1055 CB ALA A 67 -17.444 25.304 3.157 1.00 0.00 C ATOM 0 H ALA A 67 -19.297 23.766 3.767 1.00 0.00 H new ATOM 0 HA ALA A 67 -16.963 23.434 2.242 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -16.501 25.773 2.875 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -18.204 25.541 2.413 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -17.759 25.680 4.130 1.00 0.00 H new ATOM 1061 N ASP A 68 -16.530 23.319 5.522 1.00 0.00 N ATOM 1062 CA ASP A 68 -15.673 22.818 6.625 1.00 0.00 C ATOM 1063 C ASP A 68 -15.007 21.471 6.263 1.00 0.00 C ATOM 1064 O ASP A 68 -13.779 21.353 6.299 1.00 0.00 O ATOM 1065 CB ASP A 68 -16.508 22.652 7.916 1.00 0.00 C ATOM 1066 CG ASP A 68 -17.191 23.956 8.344 1.00 0.00 C ATOM 1067 OD1 ASP A 68 -18.321 24.228 7.879 1.00 0.00 O ATOM 1068 OD2 ASP A 68 -16.589 24.737 9.114 1.00 0.00 O ATOM 0 H ASP A 68 -17.462 23.593 5.834 1.00 0.00 H new ATOM 0 HA ASP A 68 -14.885 23.554 6.789 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -17.265 21.883 7.759 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -15.861 22.303 8.721 1.00 0.00 H new ATOM 1073 N GLN A 69 -15.848 20.485 5.874 1.00 0.00 N ATOM 1074 CA GLN A 69 -15.399 19.115 5.515 1.00 0.00 C ATOM 1075 C GLN A 69 -14.525 19.133 4.249 1.00 0.00 C ATOM 1076 O GLN A 69 -13.394 18.656 4.267 1.00 0.00 O ATOM 1077 CB GLN A 69 -16.626 18.170 5.299 1.00 0.00 C ATOM 1078 CG GLN A 69 -17.449 17.862 6.566 1.00 0.00 C ATOM 1079 CD GLN A 69 -16.766 16.916 7.562 1.00 0.00 C ATOM 1080 OE1 GLN A 69 -15.537 16.846 7.657 1.00 0.00 O ATOM 1081 NE2 GLN A 69 -17.564 16.195 8.331 1.00 0.00 N ATOM 0 H GLN A 69 -16.857 20.614 5.799 1.00 0.00 H new ATOM 0 HA GLN A 69 -14.801 18.735 6.344 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -17.286 18.621 4.558 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -16.270 17.229 4.879 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -17.674 18.800 7.073 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -18.402 17.425 6.266 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -18.576 16.273 8.231 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -17.168 15.561 9.025 1.00 0.00 H new ATOM 1090 N LYS A 70 -15.066 19.730 3.178 1.00 0.00 N ATOM 1091 CA LYS A 70 -14.445 19.760 1.840 1.00 0.00 C ATOM 1092 C LYS A 70 -13.128 20.559 1.807 1.00 0.00 C ATOM 1093 O LYS A 70 -12.288 20.296 0.955 1.00 0.00 O ATOM 1094 CB LYS A 70 -15.453 20.288 0.783 1.00 0.00 C ATOM 1095 CG LYS A 70 -16.574 19.281 0.435 1.00 0.00 C ATOM 1096 CD LYS A 70 -17.532 19.795 -0.662 1.00 0.00 C ATOM 1097 CE LYS A 70 -18.479 18.696 -1.191 1.00 0.00 C ATOM 1098 NZ LYS A 70 -19.330 19.178 -2.313 1.00 0.00 N ATOM 0 H LYS A 70 -15.963 20.215 3.214 1.00 0.00 H new ATOM 0 HA LYS A 70 -14.181 18.733 1.589 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -15.905 21.208 1.153 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -14.911 20.543 -0.127 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -16.124 18.345 0.106 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -17.148 19.060 1.335 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -18.125 20.619 -0.264 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -16.947 20.195 -1.491 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -17.890 17.842 -1.525 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -19.116 18.346 -0.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -19.961 18.412 -2.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -19.900 19.987 -1.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -18.725 19.472 -3.106 1.00 0.00 H new ATOM 1112 N ALA A 71 -12.959 21.519 2.732 1.00 0.00 N ATOM 1113 CA ALA A 71 -11.733 22.359 2.798 1.00 0.00 C ATOM 1114 C ALA A 71 -10.638 21.592 3.563 1.00 0.00 C ATOM 1115 O ALA A 71 -9.477 21.582 3.165 1.00 0.00 O ATOM 1116 CB ALA A 71 -12.011 23.713 3.466 1.00 0.00 C ATOM 0 H ALA A 71 -13.651 21.739 3.448 1.00 0.00 H new ATOM 0 HA ALA A 71 -11.396 22.566 1.782 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -11.093 24.299 3.496 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -12.767 24.252 2.895 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -12.371 23.550 4.482 1.00 0.00 H new ATOM 1122 N THR A 72 -11.056 20.971 4.678 1.00 0.00 N ATOM 1123 CA THR A 72 -10.216 20.037 5.460 1.00 0.00 C ATOM 1124 C THR A 72 -9.678 18.888 4.560 1.00 0.00 C ATOM 1125 O THR A 72 -8.498 18.524 4.628 1.00 0.00 O ATOM 1126 CB THR A 72 -10.989 19.475 6.698 1.00 0.00 C ATOM 1127 OG1 THR A 72 -11.426 20.570 7.529 1.00 0.00 O ATOM 1128 CG2 THR A 72 -10.116 18.529 7.541 1.00 0.00 C ATOM 0 H THR A 72 -11.990 21.101 5.068 1.00 0.00 H new ATOM 0 HA THR A 72 -9.359 20.595 5.837 1.00 0.00 H new ATOM 0 HB THR A 72 -11.842 18.909 6.324 1.00 0.00 H new ATOM 0 HG1 THR A 72 -12.267 20.932 7.178 1.00 0.00 H new ATOM 0 HG21 THR A 72 -10.692 18.162 8.390 1.00 0.00 H new ATOM 0 HG22 THR A 72 -9.796 17.686 6.928 1.00 0.00 H new ATOM 0 HG23 THR A 72 -9.240 19.068 7.903 1.00 0.00 H new ATOM 1136 N TRP A 73 -10.555 18.384 3.674 1.00 0.00 N ATOM 1137 CA TRP A 73 -10.205 17.383 2.644 1.00 0.00 C ATOM 1138 C TRP A 73 -9.327 18.004 1.524 1.00 0.00 C ATOM 1139 O TRP A 73 -8.486 17.316 0.931 1.00 0.00 O ATOM 1140 CB TRP A 73 -11.494 16.773 2.024 1.00 0.00 C ATOM 1141 CG TRP A 73 -12.109 15.618 2.799 1.00 0.00 C ATOM 1142 CD1 TRP A 73 -13.259 15.620 3.550 1.00 0.00 C ATOM 1143 CD2 TRP A 73 -11.620 14.264 2.829 1.00 0.00 C ATOM 1144 NE1 TRP A 73 -13.500 14.362 4.040 1.00 0.00 N ATOM 1145 CE2 TRP A 73 -12.510 13.516 3.613 1.00 0.00 C ATOM 1146 CE3 TRP A 73 -10.509 13.613 2.268 1.00 0.00 C ATOM 1147 CZ2 TRP A 73 -12.330 12.157 3.852 1.00 0.00 C ATOM 1148 CZ3 TRP A 73 -10.338 12.263 2.511 1.00 0.00 C ATOM 1149 CH2 TRP A 73 -11.246 11.549 3.295 1.00 0.00 C ATOM 0 H TRP A 73 -11.536 18.661 3.650 1.00 0.00 H new ATOM 0 HA TRP A 73 -9.630 16.595 3.131 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -12.240 17.562 1.930 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -11.264 16.430 1.015 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -13.881 16.484 3.728 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -14.290 14.098 4.628 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -9.802 14.157 1.659 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -13.028 11.602 4.460 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -9.487 11.751 2.087 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -11.086 10.494 3.463 1.00 0.00 H new ATOM 1160 N ALA A 74 -9.552 19.299 1.228 1.00 0.00 N ATOM 1161 CA ALA A 74 -8.823 20.024 0.158 1.00 0.00 C ATOM 1162 C ALA A 74 -7.362 20.306 0.560 1.00 0.00 C ATOM 1163 O ALA A 74 -6.489 20.352 -0.305 1.00 0.00 O ATOM 1164 CB ALA A 74 -9.541 21.339 -0.197 1.00 0.00 C ATOM 0 H ALA A 74 -10.239 19.873 1.718 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.812 19.381 -0.722 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.989 21.854 -0.983 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.550 21.120 -0.546 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.593 21.975 0.686 1.00 0.00 H new ATOM 1170 N LYS A 75 -7.113 20.490 1.880 1.00 0.00 N ATOM 1171 CA LYS A 75 -5.754 20.742 2.428 1.00 0.00 C ATOM 1172 C LYS A 75 -4.958 19.432 2.458 1.00 0.00 C ATOM 1173 O LYS A 75 -3.737 19.426 2.271 1.00 0.00 O ATOM 1174 CB LYS A 75 -5.831 21.334 3.862 1.00 0.00 C ATOM 1175 CG LYS A 75 -6.581 22.677 3.973 1.00 0.00 C ATOM 1176 CD LYS A 75 -6.594 23.241 5.416 1.00 0.00 C ATOM 1177 CE LYS A 75 -7.199 22.268 6.449 1.00 0.00 C ATOM 1178 NZ LYS A 75 -7.159 22.823 7.827 1.00 0.00 N ATOM 0 H LYS A 75 -7.843 20.468 2.592 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.254 21.465 1.783 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -6.318 20.608 4.513 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -4.817 21.469 4.238 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -6.115 23.404 3.308 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.607 22.544 3.631 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.574 23.485 5.712 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.161 24.172 5.429 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -8.231 22.047 6.177 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.653 21.325 6.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -7.575 22.138 8.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.172 23.011 8.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.702 23.710 7.860 1.00 0.00 H new ATOM 1192 N TYR A 76 -5.691 18.335 2.731 1.00 0.00 N ATOM 1193 CA TYR A 76 -5.182 16.954 2.695 1.00 0.00 C ATOM 1194 C TYR A 76 -4.534 16.659 1.325 1.00 0.00 C ATOM 1195 O TYR A 76 -3.381 16.218 1.247 1.00 0.00 O ATOM 1196 CB TYR A 76 -6.365 15.982 2.983 1.00 0.00 C ATOM 1197 CG TYR A 76 -6.040 14.482 2.879 1.00 0.00 C ATOM 1198 CD1 TYR A 76 -5.354 13.831 3.897 1.00 0.00 C ATOM 1199 CD2 TYR A 76 -6.437 13.719 1.772 1.00 0.00 C ATOM 1200 CE1 TYR A 76 -5.074 12.488 3.817 1.00 0.00 C ATOM 1201 CE2 TYR A 76 -6.161 12.367 1.698 1.00 0.00 C ATOM 1202 CZ TYR A 76 -5.478 11.758 2.727 1.00 0.00 C ATOM 1203 OH TYR A 76 -5.214 10.412 2.684 1.00 0.00 O ATOM 0 H TYR A 76 -6.677 18.388 2.989 1.00 0.00 H new ATOM 0 HA TYR A 76 -4.413 16.816 3.455 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -6.741 16.184 3.986 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.174 16.208 2.288 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -5.036 14.389 4.765 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -6.968 14.197 0.962 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -4.533 12.004 4.617 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -6.478 11.793 0.840 1.00 0.00 H new ATOM 0 HH TYR A 76 -6.035 9.925 2.462 1.00 0.00 H new ATOM 1213 N ARG A 77 -5.296 16.953 0.262 1.00 0.00 N ATOM 1214 CA ARG A 77 -4.890 16.711 -1.134 1.00 0.00 C ATOM 1215 C ARG A 77 -3.765 17.701 -1.546 1.00 0.00 C ATOM 1216 O ARG A 77 -2.751 17.296 -2.128 1.00 0.00 O ATOM 1217 CB ARG A 77 -6.144 16.842 -2.052 1.00 0.00 C ATOM 1218 CG ARG A 77 -6.048 16.091 -3.396 1.00 0.00 C ATOM 1219 CD ARG A 77 -7.336 16.196 -4.228 1.00 0.00 C ATOM 1220 NE ARG A 77 -7.276 15.389 -5.459 1.00 0.00 N ATOM 1221 CZ ARG A 77 -8.091 15.524 -6.514 1.00 0.00 C ATOM 1222 NH1 ARG A 77 -8.975 16.512 -6.587 1.00 0.00 N ATOM 1223 NH2 ARG A 77 -7.985 14.688 -7.525 1.00 0.00 N ATOM 0 H ARG A 77 -6.223 17.370 0.346 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.486 15.704 -1.240 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -7.014 16.474 -1.508 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.319 17.899 -2.255 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.214 16.492 -3.973 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -5.828 15.041 -3.206 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -8.183 15.870 -3.624 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -7.513 17.239 -4.489 1.00 0.00 H new ATOM 0 HE ARG A 77 -6.556 14.669 -5.513 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -9.045 17.191 -5.829 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -9.584 16.592 -7.401 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -7.287 13.945 -7.501 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -8.601 14.783 -8.332 1.00 0.00 H new ATOM 1237 N GLN A 78 -3.989 19.000 -1.242 1.00 0.00 N ATOM 1238 CA GLN A 78 -3.016 20.113 -1.447 1.00 0.00 C ATOM 1239 C GLN A 78 -1.611 19.817 -0.883 1.00 0.00 C ATOM 1240 O GLN A 78 -0.596 20.197 -1.486 1.00 0.00 O ATOM 1241 CB GLN A 78 -3.591 21.407 -0.795 1.00 0.00 C ATOM 1242 CG GLN A 78 -2.769 22.701 -0.997 1.00 0.00 C ATOM 1243 CD GLN A 78 -2.571 23.108 -2.459 1.00 0.00 C ATOM 1244 OE1 GLN A 78 -1.550 23.700 -2.815 1.00 0.00 O ATOM 1245 NE2 GLN A 78 -3.539 22.816 -3.324 1.00 0.00 N ATOM 0 H GLN A 78 -4.870 19.317 -0.838 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.888 20.239 -2.522 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.593 21.573 -1.191 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.696 21.233 0.276 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -3.265 23.517 -0.470 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -1.791 22.570 -0.534 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -4.375 22.325 -3.007 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -3.445 23.083 -4.304 1.00 0.00 H new ATOM 1254 N ALA A 79 -1.565 19.158 0.275 1.00 0.00 N ATOM 1255 CA ALA A 79 -0.304 18.791 0.933 1.00 0.00 C ATOM 1256 C ALA A 79 0.487 17.792 0.069 1.00 0.00 C ATOM 1257 O ALA A 79 1.668 18.006 -0.231 1.00 0.00 O ATOM 1258 CB ALA A 79 -0.596 18.201 2.318 1.00 0.00 C ATOM 0 H ALA A 79 -2.397 18.863 0.785 1.00 0.00 H new ATOM 0 HA ALA A 79 0.307 19.686 1.054 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.342 17.930 2.803 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.118 18.940 2.926 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.219 17.313 2.211 1.00 0.00 H new ATOM 1264 N LEU A 80 -0.214 16.723 -0.331 1.00 0.00 N ATOM 1265 CA LEU A 80 0.337 15.607 -1.116 1.00 0.00 C ATOM 1266 C LEU A 80 0.901 16.041 -2.489 1.00 0.00 C ATOM 1267 O LEU A 80 1.888 15.463 -2.955 1.00 0.00 O ATOM 1268 CB LEU A 80 -0.773 14.549 -1.296 1.00 0.00 C ATOM 1269 CG LEU A 80 -1.358 13.960 0.025 1.00 0.00 C ATOM 1270 CD1 LEU A 80 -2.683 13.212 -0.225 1.00 0.00 C ATOM 1271 CD2 LEU A 80 -0.318 13.062 0.722 1.00 0.00 C ATOM 0 H LEU A 80 -1.204 16.606 -0.113 1.00 0.00 H new ATOM 0 HA LEU A 80 1.185 15.195 -0.568 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.587 14.995 -1.867 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.376 13.729 -1.895 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.587 14.790 0.694 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.060 12.816 0.718 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.415 13.900 -0.648 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.512 12.391 -0.921 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.743 12.660 1.642 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.044 12.241 0.059 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.569 13.649 0.959 1.00 0.00 H new ATOM 1283 N ARG A 81 0.273 17.056 -3.132 1.00 0.00 N ATOM 1284 CA ARG A 81 0.734 17.552 -4.458 1.00 0.00 C ATOM 1285 C ARG A 81 1.995 18.436 -4.319 1.00 0.00 C ATOM 1286 O ARG A 81 2.806 18.525 -5.243 1.00 0.00 O ATOM 1287 CB ARG A 81 -0.391 18.329 -5.214 1.00 0.00 C ATOM 1288 CG ARG A 81 -0.687 19.756 -4.694 1.00 0.00 C ATOM 1289 CD ARG A 81 -1.503 20.615 -5.681 1.00 0.00 C ATOM 1290 NE ARG A 81 -1.420 22.055 -5.335 1.00 0.00 N ATOM 1291 CZ ARG A 81 -1.336 23.073 -6.210 1.00 0.00 C ATOM 1292 NH1 ARG A 81 -1.283 22.856 -7.523 1.00 0.00 N ATOM 1293 NH2 ARG A 81 -1.270 24.317 -5.758 1.00 0.00 N ATOM 0 H ARG A 81 -0.543 17.543 -2.762 1.00 0.00 H new ATOM 0 HA ARG A 81 0.990 16.674 -5.051 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -0.117 18.396 -6.267 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.310 17.745 -5.160 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -1.230 19.685 -3.752 1.00 0.00 H new ATOM 0 HG3 ARG A 81 0.256 20.259 -4.481 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -1.133 20.460 -6.694 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -2.545 20.295 -5.670 1.00 0.00 H new ATOM 0 HE ARG A 81 -1.427 22.295 -4.344 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -1.306 21.902 -7.884 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -1.220 23.644 -8.168 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -1.283 24.496 -4.754 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -1.206 25.095 -6.414 1.00 0.00 H new ATOM 1307 N ASP A 82 2.134 19.078 -3.146 1.00 0.00 N ATOM 1308 CA ASP A 82 3.212 20.049 -2.857 1.00 0.00 C ATOM 1309 C ASP A 82 4.519 19.335 -2.436 1.00 0.00 C ATOM 1310 O ASP A 82 5.591 19.956 -2.422 1.00 0.00 O ATOM 1311 CB ASP A 82 2.715 21.026 -1.756 1.00 0.00 C ATOM 1312 CG ASP A 82 3.703 22.158 -1.407 1.00 0.00 C ATOM 1313 OD1 ASP A 82 3.692 23.207 -2.087 1.00 0.00 O ATOM 1314 OD2 ASP A 82 4.481 22.007 -0.443 1.00 0.00 O ATOM 0 H ASP A 82 1.497 18.938 -2.362 1.00 0.00 H new ATOM 0 HA ASP A 82 3.447 20.611 -3.761 1.00 0.00 H new ATOM 0 HB2 ASP A 82 1.774 21.470 -2.081 1.00 0.00 H new ATOM 0 HB3 ASP A 82 2.503 20.456 -0.852 1.00 0.00 H new ATOM 1319 N LEU A 83 4.422 18.028 -2.116 1.00 0.00 N ATOM 1320 CA LEU A 83 5.581 17.198 -1.722 1.00 0.00 C ATOM 1321 C LEU A 83 6.613 17.112 -2.885 1.00 0.00 C ATOM 1322 O LEU A 83 6.195 16.957 -4.037 1.00 0.00 O ATOM 1323 CB LEU A 83 5.100 15.775 -1.332 1.00 0.00 C ATOM 1324 CG LEU A 83 4.076 15.675 -0.159 1.00 0.00 C ATOM 1325 CD1 LEU A 83 3.630 14.212 0.080 1.00 0.00 C ATOM 1326 CD2 LEU A 83 4.638 16.315 1.125 1.00 0.00 C ATOM 0 H LEU A 83 3.539 17.518 -2.123 1.00 0.00 H new ATOM 0 HA LEU A 83 6.067 17.661 -0.863 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.653 15.314 -2.213 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.975 15.180 -1.070 1.00 0.00 H new ATOM 0 HG LEU A 83 3.188 16.239 -0.445 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.917 14.179 0.904 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.160 13.823 -0.823 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.499 13.603 0.328 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.903 16.231 1.925 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.553 15.801 1.417 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.856 17.367 0.942 1.00 0.00 H new ATOM 1453 N GLN A 92 11.100 8.755 4.457 1.00 0.00 N ATOM 1454 CA GLN A 92 10.317 8.780 5.689 1.00 0.00 C ATOM 1455 C GLN A 92 8.982 9.475 5.378 1.00 0.00 C ATOM 1456 O GLN A 92 8.852 10.698 5.546 1.00 0.00 O ATOM 1457 CB GLN A 92 11.081 9.528 6.824 1.00 0.00 C ATOM 1458 CG GLN A 92 12.522 9.036 7.086 1.00 0.00 C ATOM 1459 CD GLN A 92 13.220 9.773 8.237 1.00 0.00 C ATOM 1460 OE1 GLN A 92 12.576 10.211 9.195 1.00 0.00 O ATOM 1461 NE2 GLN A 92 14.534 9.942 8.141 1.00 0.00 N ATOM 0 HA GLN A 92 10.142 7.764 6.043 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.116 10.589 6.577 1.00 0.00 H new ATOM 0 HB3 GLN A 92 10.509 9.434 7.747 1.00 0.00 H new ATOM 0 HG2 GLN A 92 12.498 7.969 7.309 1.00 0.00 H new ATOM 0 HG3 GLN A 92 13.110 9.158 6.177 1.00 0.00 H new ATOM 0 HE21 GLN A 92 15.039 9.568 7.337 1.00 0.00 H new ATOM 0 HE22 GLN A 92 15.038 10.445 8.871 1.00 0.00 H new ATOM 1470 N ILE A 93 8.021 8.705 4.837 1.00 0.00 N ATOM 1471 CA ILE A 93 6.718 9.240 4.433 1.00 0.00 C ATOM 1472 C ILE A 93 5.916 9.670 5.670 1.00 0.00 C ATOM 1473 O ILE A 93 5.444 8.843 6.441 1.00 0.00 O ATOM 1474 CB ILE A 93 5.917 8.227 3.503 1.00 0.00 C ATOM 1475 CG1 ILE A 93 5.771 6.770 4.116 1.00 0.00 C ATOM 1476 CG2 ILE A 93 6.583 8.176 2.109 1.00 0.00 C ATOM 1477 CD1 ILE A 93 4.460 6.461 4.821 1.00 0.00 C ATOM 0 H ILE A 93 8.128 7.704 4.671 1.00 0.00 H new ATOM 0 HA ILE A 93 6.886 10.127 3.822 1.00 0.00 H new ATOM 0 HB ILE A 93 4.899 8.607 3.420 1.00 0.00 H new ATOM 0 HG12 ILE A 93 5.905 6.046 3.312 1.00 0.00 H new ATOM 0 HG13 ILE A 93 6.585 6.614 4.824 1.00 0.00 H new ATOM 0 HG21 ILE A 93 6.036 7.483 1.470 1.00 0.00 H new ATOM 0 HG22 ILE A 93 6.568 9.170 1.662 1.00 0.00 H new ATOM 0 HG23 ILE A 93 7.615 7.839 2.211 1.00 0.00 H new ATOM 0 HD11 ILE A 93 4.481 5.438 5.196 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.324 7.150 5.654 1.00 0.00 H new ATOM 0 HD13 ILE A 93 3.634 6.573 4.119 1.00 0.00 H new ATOM 1489 N VAL A 94 5.872 10.986 5.929 1.00 0.00 N ATOM 1490 CA VAL A 94 5.000 11.571 6.945 1.00 0.00 C ATOM 1491 C VAL A 94 4.086 12.545 6.205 1.00 0.00 C ATOM 1492 O VAL A 94 4.410 13.723 6.027 1.00 0.00 O ATOM 1493 CB VAL A 94 5.812 12.289 8.085 1.00 0.00 C ATOM 1494 CG1 VAL A 94 4.874 12.784 9.223 1.00 0.00 C ATOM 1495 CG2 VAL A 94 6.934 11.370 8.644 1.00 0.00 C ATOM 0 H VAL A 94 6.444 11.671 5.435 1.00 0.00 H new ATOM 0 HA VAL A 94 4.426 10.796 7.453 1.00 0.00 H new ATOM 0 HB VAL A 94 6.289 13.165 7.645 1.00 0.00 H new ATOM 0 HG11 VAL A 94 5.466 13.275 9.995 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.150 13.490 8.816 1.00 0.00 H new ATOM 0 HG13 VAL A 94 4.347 11.934 9.656 1.00 0.00 H new ATOM 0 HG21 VAL A 94 7.477 11.895 9.430 1.00 0.00 H new ATOM 0 HG22 VAL A 94 6.491 10.462 9.053 1.00 0.00 H new ATOM 0 HG23 VAL A 94 7.623 11.107 7.841 1.00 0.00 H new ATOM 1505 N TRP A 95 2.996 11.989 5.677 1.00 0.00 N ATOM 1506 CA TRP A 95 1.976 12.727 4.921 1.00 0.00 C ATOM 1507 C TRP A 95 0.679 12.805 5.753 1.00 0.00 C ATOM 1508 O TRP A 95 0.535 12.038 6.720 1.00 0.00 O ATOM 1509 CB TRP A 95 1.768 12.065 3.517 1.00 0.00 C ATOM 1510 CG TRP A 95 1.627 10.554 3.475 1.00 0.00 C ATOM 1511 CD1 TRP A 95 0.917 9.747 4.320 1.00 0.00 C ATOM 1512 CD2 TRP A 95 2.188 9.684 2.486 1.00 0.00 C ATOM 1513 NE1 TRP A 95 1.047 8.434 3.939 1.00 0.00 N ATOM 1514 CE2 TRP A 95 1.803 8.374 2.810 1.00 0.00 C ATOM 1515 CE3 TRP A 95 2.980 9.893 1.352 1.00 0.00 C ATOM 1516 CZ2 TRP A 95 2.194 7.275 2.057 1.00 0.00 C ATOM 1517 CZ3 TRP A 95 3.363 8.800 0.604 1.00 0.00 C ATOM 1518 CH2 TRP A 95 2.960 7.508 0.955 1.00 0.00 C ATOM 0 H TRP A 95 2.790 10.994 5.763 1.00 0.00 H new ATOM 0 HA TRP A 95 2.302 13.751 4.737 1.00 0.00 H new ATOM 0 HB2 TRP A 95 0.875 12.500 3.068 1.00 0.00 H new ATOM 0 HB3 TRP A 95 2.611 12.343 2.884 1.00 0.00 H new ATOM 0 HD1 TRP A 95 0.338 10.092 5.164 1.00 0.00 H new ATOM 0 HE1 TRP A 95 0.642 7.633 4.424 1.00 0.00 H new ATOM 0 HE3 TRP A 95 3.285 10.889 1.068 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 1.902 6.273 2.335 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.985 8.944 -0.267 1.00 0.00 H new ATOM 0 HH2 TRP A 95 3.263 6.675 0.338 1.00 0.00 H new ATOM 1529 N PRO A 96 -0.275 13.739 5.425 1.00 0.00 N ATOM 1530 CA PRO A 96 -1.532 13.895 6.202 1.00 0.00 C ATOM 1531 C PRO A 96 -2.389 12.603 6.240 1.00 0.00 C ATOM 1532 O PRO A 96 -2.421 11.832 5.274 1.00 0.00 O ATOM 1533 CB PRO A 96 -2.272 15.052 5.469 1.00 0.00 C ATOM 1534 CG PRO A 96 -1.665 15.081 4.098 1.00 0.00 C ATOM 1535 CD PRO A 96 -0.216 14.727 4.303 1.00 0.00 C ATOM 0 HA PRO A 96 -1.335 14.106 7.253 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -3.346 14.870 5.423 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -2.132 16.002 5.985 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -2.155 14.368 3.435 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -1.770 16.065 3.641 1.00 0.00 H new ATOM 0 HD2 PRO A 96 0.226 14.295 3.405 1.00 0.00 H new ATOM 0 HD3 PRO A 96 0.381 15.601 4.564 1.00 0.00 H new ATOM 1543 N GLN A 97 -3.033 12.374 7.393 1.00 0.00 N ATOM 1544 CA GLN A 97 -4.062 11.334 7.560 1.00 0.00 C ATOM 1545 C GLN A 97 -5.435 11.969 7.300 1.00 0.00 C ATOM 1546 O GLN A 97 -5.674 13.115 7.708 1.00 0.00 O ATOM 1547 CB GLN A 97 -4.001 10.709 8.980 1.00 0.00 C ATOM 1548 CG GLN A 97 -5.101 9.660 9.275 1.00 0.00 C ATOM 1549 CD GLN A 97 -5.106 8.467 8.310 1.00 0.00 C ATOM 1550 OE1 GLN A 97 -4.059 8.026 7.822 1.00 0.00 O ATOM 1551 NE2 GLN A 97 -6.286 7.960 7.990 1.00 0.00 N ATOM 0 H GLN A 97 -2.854 12.908 8.243 1.00 0.00 H new ATOM 0 HA GLN A 97 -3.886 10.527 6.849 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -3.026 10.240 9.114 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -4.074 11.509 9.717 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -4.971 9.290 10.292 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -6.074 10.149 9.235 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -7.135 8.342 8.407 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -6.346 7.187 7.327 1.00 0.00 H new ATOM 1560 N LEU A 98 -6.324 11.227 6.608 1.00 0.00 N ATOM 1561 CA LEU A 98 -7.652 11.736 6.224 1.00 0.00 C ATOM 1562 C LEU A 98 -8.520 12.052 7.469 1.00 0.00 C ATOM 1563 O LEU A 98 -8.453 11.325 8.463 1.00 0.00 O ATOM 1564 CB LEU A 98 -8.337 10.776 5.189 1.00 0.00 C ATOM 1565 CG LEU A 98 -8.345 9.230 5.462 1.00 0.00 C ATOM 1566 CD1 LEU A 98 -9.357 8.813 6.547 1.00 0.00 C ATOM 1567 CD2 LEU A 98 -8.585 8.440 4.153 1.00 0.00 C ATOM 0 H LEU A 98 -6.143 10.270 6.304 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.532 12.691 5.712 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -9.374 11.095 5.083 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.854 10.936 4.225 1.00 0.00 H new ATOM 0 HG LEU A 98 -7.357 8.980 5.849 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -9.314 7.733 6.689 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -9.112 9.312 7.484 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -10.362 9.098 6.236 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.586 7.371 4.368 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -9.547 8.726 3.727 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -7.791 8.666 3.441 1.00 0.00 H new ATOM 1579 N PRO A 99 -9.320 13.174 7.435 1.00 0.00 N ATOM 1580 CA PRO A 99 -10.031 13.727 8.632 1.00 0.00 C ATOM 1581 C PRO A 99 -11.054 12.759 9.272 1.00 0.00 C ATOM 1582 O PRO A 99 -11.429 12.929 10.440 1.00 0.00 O ATOM 1583 CB PRO A 99 -10.729 15.004 8.078 1.00 0.00 C ATOM 1584 CG PRO A 99 -10.833 14.773 6.601 1.00 0.00 C ATOM 1585 CD PRO A 99 -9.588 14.004 6.226 1.00 0.00 C ATOM 0 HA PRO A 99 -9.333 13.919 9.447 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -11.712 15.144 8.527 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -10.148 15.900 8.298 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -11.732 14.209 6.354 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -10.890 15.717 6.059 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -9.747 13.387 5.342 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -8.755 14.671 6.003 1.00 0.00 H new ATOM 1593 N VAL A 100 -11.494 11.761 8.501 1.00 0.00 N ATOM 1594 CA VAL A 100 -12.490 10.777 8.939 1.00 0.00 C ATOM 1595 C VAL A 100 -11.809 9.683 9.816 1.00 0.00 C ATOM 1596 O VAL A 100 -11.194 8.752 9.267 1.00 0.00 O ATOM 1597 CB VAL A 100 -13.235 10.164 7.693 1.00 0.00 C ATOM 1598 CG1 VAL A 100 -14.269 9.090 8.127 1.00 0.00 C ATOM 1599 CG2 VAL A 100 -13.904 11.288 6.858 1.00 0.00 C ATOM 1600 OXT VAL A 100 -11.867 9.785 11.064 1.00 0.00 O ATOM 0 H VAL A 100 -11.167 11.611 7.547 1.00 0.00 H new ATOM 0 HA VAL A 100 -13.243 11.269 9.555 1.00 0.00 H new ATOM 0 HB VAL A 100 -12.497 9.666 7.064 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -14.766 8.686 7.245 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -13.758 8.285 8.656 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -15.010 9.543 8.785 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -14.415 10.849 6.001 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -14.626 11.821 7.477 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -13.142 11.985 6.509 1.00 0.00 H new