USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 605 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 39 HIS : no HD1:sc= -0.0285 X(o=-0.067,f=-0.038) USER MOD Set 1.2: A 41 SER OG : rot 180:sc= -0.0386 USER MOD Single : A 1 MET CE :methyl -132:sc= 0 (180deg=-0.00793) USER MOD Single : A 1 MET N :NH3+ 136:sc= 0.041 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 14:sc= -0.336 USER MOD Single : A 9 LYS NZ :NH3+ -165:sc= -0.0011 (180deg=-0.123) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -52:sc= 0.783 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.0162 K(o=-0.016,f=-1.6!) USER MOD Single : A 44 TYR OH : rot 180:sc= -0.0349 USER MOD Single : A 48 ASN : amide:sc= -0.199 X(o=-0.2,f=0) USER MOD Single : A 49 ASN : amide:sc= -2.51! C(o=-2.5!,f=-5.3!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -99:sc= -0.0164 USER MOD Single : A 57 LYS NZ :NH3+ -134:sc= -2.14 (180deg=-4.96!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc=-0.00401 K(o=-0.004,f=-1.4!) USER MOD Single : A 64 SER OG : rot 71:sc= 0.448 USER MOD Single : A 68 GLN : amide:sc=-0.000119 K(o=-0.00012,f=-1.9!) USER MOD Single : A 70 THR OG1 : rot 75:sc= 0.0257 USER MOD Single : A 73 SER OG : rot -24:sc= 0.25 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.886 3.982 -0.646 1.00 0.00 N ATOM 2 CA MET A 1 -13.122 2.706 -0.548 1.00 0.00 C ATOM 3 C MET A 1 -12.076 2.834 0.551 1.00 0.00 C ATOM 4 O MET A 1 -11.472 3.894 0.713 1.00 0.00 O ATOM 5 CB MET A 1 -12.412 2.428 -1.880 1.00 0.00 C ATOM 6 CG MET A 1 -11.793 1.006 -1.873 1.00 0.00 C ATOM 7 SD MET A 1 -10.052 1.081 -2.384 1.00 0.00 S ATOM 8 CE MET A 1 -10.333 1.362 -4.147 1.00 0.00 C ATOM 0 H1 MET A 1 -14.002 4.241 -1.646 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.822 3.861 -0.209 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.368 4.736 -0.151 1.00 0.00 H new ATOM 0 HA MET A 1 -13.807 1.890 -0.320 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.120 2.520 -2.704 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.632 3.171 -2.046 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.869 0.573 -0.876 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.350 0.355 -2.547 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.713 0.679 -4.728 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.383 1.187 -4.381 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.072 2.390 -4.398 1.00 0.00 H new ATOM 20 N ARG A 2 -11.851 1.748 1.298 1.00 0.00 N ATOM 21 CA ARG A 2 -10.854 1.757 2.375 1.00 0.00 C ATOM 22 C ARG A 2 -9.833 0.642 2.148 1.00 0.00 C ATOM 23 O ARG A 2 -10.196 -0.500 1.868 1.00 0.00 O ATOM 24 CB ARG A 2 -11.543 1.571 3.727 1.00 0.00 C ATOM 25 CG ARG A 2 -10.493 1.589 4.839 1.00 0.00 C ATOM 26 CD ARG A 2 -11.185 1.654 6.202 1.00 0.00 C ATOM 27 NE ARG A 2 -11.851 0.390 6.498 1.00 0.00 N ATOM 28 CZ ARG A 2 -12.363 0.156 7.701 1.00 0.00 C ATOM 29 NH1 ARG A 2 -11.586 -0.230 8.677 1.00 0.00 N ATOM 30 NH2 ARG A 2 -13.639 0.318 7.909 1.00 0.00 N ATOM 0 H ARG A 2 -12.339 0.860 1.179 1.00 0.00 H new ATOM 0 HA ARG A 2 -10.337 2.716 2.373 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -12.273 2.365 3.888 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -12.089 0.628 3.743 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -9.871 0.696 4.779 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -9.832 2.447 4.715 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -10.453 1.876 6.978 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -11.913 2.466 6.209 1.00 0.00 H new ATOM 0 HE ARG A 2 -11.924 -0.323 5.772 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -10.586 -0.352 8.515 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -11.979 -0.410 9.601 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -14.245 0.625 7.148 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -14.032 0.138 8.833 1.00 0.00 H new ATOM 44 N ILE A 3 -8.555 0.994 2.247 1.00 0.00 N ATOM 45 CA ILE A 3 -7.467 0.034 2.025 1.00 0.00 C ATOM 46 C ILE A 3 -6.620 -0.109 3.287 1.00 0.00 C ATOM 47 O ILE A 3 -6.115 0.886 3.809 1.00 0.00 O ATOM 48 CB ILE A 3 -6.576 0.558 0.891 1.00 0.00 C ATOM 49 CG1 ILE A 3 -7.409 0.710 -0.391 1.00 0.00 C ATOM 50 CG2 ILE A 3 -5.430 -0.429 0.630 1.00 0.00 C ATOM 51 CD1 ILE A 3 -6.684 1.640 -1.367 1.00 0.00 C ATOM 0 H ILE A 3 -8.242 1.937 2.479 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.891 -0.937 1.768 1.00 0.00 H new ATOM 0 HB ILE A 3 -6.165 1.525 1.181 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -7.567 -0.265 -0.852 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.393 1.113 -0.152 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.801 -0.051 -0.176 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.832 -0.540 1.535 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.842 -1.397 0.346 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.276 1.747 -2.276 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -6.549 2.618 -0.905 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -5.710 1.218 -1.616 1.00 0.00 H new ATOM 63 N GLU A 4 -6.460 -1.342 3.774 1.00 0.00 N ATOM 64 CA GLU A 4 -5.654 -1.585 4.981 1.00 0.00 C ATOM 65 C GLU A 4 -4.529 -2.583 4.712 1.00 0.00 C ATOM 66 O GLU A 4 -4.758 -3.662 4.169 1.00 0.00 O ATOM 67 CB GLU A 4 -6.534 -2.123 6.111 1.00 0.00 C ATOM 68 CG GLU A 4 -7.630 -1.111 6.448 1.00 0.00 C ATOM 69 CD GLU A 4 -8.501 -1.654 7.574 1.00 0.00 C ATOM 70 OE1 GLU A 4 -8.487 -2.857 7.780 1.00 0.00 O ATOM 71 OE2 GLU A 4 -9.171 -0.862 8.217 1.00 0.00 O ATOM 0 H GLU A 4 -6.870 -2.179 3.361 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.215 -0.631 5.274 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.982 -3.071 5.814 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.926 -2.320 6.994 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.183 -0.162 6.746 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.240 -0.914 5.566 1.00 0.00 H new ATOM 78 N VAL A 5 -3.310 -2.199 5.097 1.00 0.00 N ATOM 79 CA VAL A 5 -2.136 -3.058 4.893 1.00 0.00 C ATOM 80 C VAL A 5 -1.471 -3.402 6.221 1.00 0.00 C ATOM 81 O VAL A 5 -1.239 -2.534 7.054 1.00 0.00 O ATOM 82 CB VAL A 5 -1.118 -2.354 3.995 1.00 0.00 C ATOM 83 CG1 VAL A 5 -0.012 -3.338 3.606 1.00 0.00 C ATOM 84 CG2 VAL A 5 -1.816 -1.823 2.735 1.00 0.00 C ATOM 0 H VAL A 5 -3.108 -1.307 5.548 1.00 0.00 H new ATOM 0 HA VAL A 5 -2.476 -3.978 4.418 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.678 -1.516 4.535 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.713 -2.836 2.966 1.00 0.00 H new ATOM 0 HG12 VAL A 5 0.487 -3.699 4.505 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.447 -4.181 3.069 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.086 -1.322 2.099 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.264 -2.654 2.190 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.594 -1.115 3.021 1.00 0.00 H new ATOM 94 N THR A 6 -1.157 -4.685 6.407 1.00 0.00 N ATOM 95 CA THR A 6 -0.499 -5.150 7.631 1.00 0.00 C ATOM 96 C THR A 6 0.818 -5.816 7.283 1.00 0.00 C ATOM 97 O THR A 6 0.907 -6.606 6.343 1.00 0.00 O ATOM 98 CB THR A 6 -1.405 -6.129 8.376 1.00 0.00 C ATOM 99 OG1 THR A 6 -2.014 -6.998 7.438 1.00 0.00 O ATOM 100 CG2 THR A 6 -2.484 -5.354 9.139 1.00 0.00 C ATOM 0 H THR A 6 -1.347 -5.421 5.727 1.00 0.00 H new ATOM 0 HA THR A 6 -0.304 -4.295 8.278 1.00 0.00 H new ATOM 0 HB THR A 6 -0.816 -6.709 9.086 1.00 0.00 H new ATOM 0 HG1 THR A 6 -1.553 -6.925 6.576 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.129 -6.055 9.669 1.00 0.00 H new ATOM 0 HG22 THR A 6 -2.011 -4.682 9.855 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.081 -4.773 8.436 1.00 0.00 H new ATOM 108 N ILE A 7 1.833 -5.492 8.063 1.00 0.00 N ATOM 109 CA ILE A 7 3.165 -6.047 7.879 1.00 0.00 C ATOM 110 C ILE A 7 3.547 -6.879 9.099 1.00 0.00 C ATOM 111 O ILE A 7 3.385 -6.436 10.235 1.00 0.00 O ATOM 112 CB ILE A 7 4.147 -4.885 7.700 1.00 0.00 C ATOM 113 CG1 ILE A 7 4.047 -4.346 6.265 1.00 0.00 C ATOM 114 CG2 ILE A 7 5.587 -5.346 7.977 1.00 0.00 C ATOM 115 CD1 ILE A 7 4.650 -2.942 6.194 1.00 0.00 C ATOM 0 H ILE A 7 1.759 -4.837 8.842 1.00 0.00 H new ATOM 0 HA ILE A 7 3.191 -6.692 7.001 1.00 0.00 H new ATOM 0 HB ILE A 7 3.890 -4.098 8.409 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.572 -5.012 5.580 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.004 -4.320 5.949 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.270 -4.507 7.845 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.660 -5.716 9.000 1.00 0.00 H new ATOM 0 HG23 ILE A 7 5.854 -6.143 7.283 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.576 -2.565 5.174 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.106 -2.278 6.866 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.698 -2.981 6.491 1.00 0.00 H new ATOM 127 N ALA A 8 4.055 -8.083 8.863 1.00 0.00 N ATOM 128 CA ALA A 8 4.452 -8.947 9.963 1.00 0.00 C ATOM 129 C ALA A 8 5.594 -8.312 10.730 1.00 0.00 C ATOM 130 O ALA A 8 6.579 -7.836 10.165 1.00 0.00 O ATOM 131 CB ALA A 8 4.894 -10.303 9.422 1.00 0.00 C ATOM 0 H ALA A 8 4.199 -8.477 7.933 1.00 0.00 H new ATOM 0 HA ALA A 8 3.602 -9.084 10.631 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.190 -10.946 10.251 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.069 -10.765 8.881 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.739 -10.168 8.747 1.00 0.00 H new ATOM 137 N LYS A 9 5.405 -8.302 12.039 1.00 0.00 N ATOM 138 CA LYS A 9 6.359 -7.717 12.959 1.00 0.00 C ATOM 139 C LYS A 9 7.717 -8.404 12.853 1.00 0.00 C ATOM 140 O LYS A 9 8.747 -7.800 13.151 1.00 0.00 O ATOM 141 CB LYS A 9 5.822 -7.769 14.394 1.00 0.00 C ATOM 142 CG LYS A 9 6.827 -7.150 15.382 1.00 0.00 C ATOM 143 CD LYS A 9 6.251 -7.225 16.796 1.00 0.00 C ATOM 144 CE LYS A 9 7.297 -6.735 17.799 1.00 0.00 C ATOM 145 NZ LYS A 9 8.334 -7.788 17.988 1.00 0.00 N ATOM 0 H LYS A 9 4.583 -8.701 12.492 1.00 0.00 H new ATOM 0 HA LYS A 9 6.499 -6.671 12.686 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.874 -7.234 14.451 1.00 0.00 H new ATOM 0 HB3 LYS A 9 5.622 -8.803 14.674 1.00 0.00 H new ATOM 0 HG2 LYS A 9 7.777 -7.682 15.335 1.00 0.00 H new ATOM 0 HG3 LYS A 9 7.029 -6.113 15.113 1.00 0.00 H new ATOM 0 HD2 LYS A 9 5.350 -6.615 16.866 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.961 -8.250 17.028 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.758 -5.815 17.440 1.00 0.00 H new ATOM 0 HE3 LYS A 9 6.822 -6.502 18.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 8.894 -7.575 18.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 7.873 -8.713 18.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.960 -7.812 17.158 1.00 0.00 H new ATOM 159 N THR A 10 7.724 -9.658 12.402 1.00 0.00 N ATOM 160 CA THR A 10 8.971 -10.390 12.235 1.00 0.00 C ATOM 161 C THR A 10 9.841 -9.678 11.205 1.00 0.00 C ATOM 162 O THR A 10 11.020 -9.996 11.054 1.00 0.00 O ATOM 163 CB THR A 10 8.680 -11.818 11.769 1.00 0.00 C ATOM 164 OG1 THR A 10 7.771 -11.783 10.678 1.00 0.00 O ATOM 165 CG2 THR A 10 8.073 -12.624 12.922 1.00 0.00 C ATOM 0 H THR A 10 6.886 -10.181 12.149 1.00 0.00 H new ATOM 0 HA THR A 10 9.496 -10.430 13.189 1.00 0.00 H new ATOM 0 HB THR A 10 9.609 -12.292 11.452 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.585 -12.697 10.378 1.00 0.00 H new ATOM 0 HG21 THR A 10 7.867 -13.640 12.587 1.00 0.00 H new ATOM 0 HG22 THR A 10 8.775 -12.652 13.755 1.00 0.00 H new ATOM 0 HG23 THR A 10 7.144 -12.154 13.246 1.00 0.00 H new ATOM 173 N SER A 11 9.258 -8.704 10.501 1.00 0.00 N ATOM 174 CA SER A 11 9.993 -7.937 9.485 1.00 0.00 C ATOM 175 C SER A 11 9.955 -6.440 9.810 1.00 0.00 C ATOM 176 O SER A 11 9.164 -5.696 9.229 1.00 0.00 O ATOM 177 CB SER A 11 9.358 -8.163 8.110 1.00 0.00 C ATOM 178 OG SER A 11 9.580 -9.506 7.700 1.00 0.00 O ATOM 0 H SER A 11 8.283 -8.427 10.613 1.00 0.00 H new ATOM 0 HA SER A 11 11.029 -8.276 9.479 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.289 -7.957 8.153 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.786 -7.474 7.382 1.00 0.00 H new ATOM 0 HG SER A 11 9.172 -9.651 6.821 1.00 0.00 H new ATOM 184 N PRO A 12 10.788 -5.986 10.719 1.00 0.00 N ATOM 185 CA PRO A 12 10.846 -4.553 11.121 1.00 0.00 C ATOM 186 C PRO A 12 11.456 -3.638 10.051 1.00 0.00 C ATOM 187 O PRO A 12 12.517 -3.931 9.502 1.00 0.00 O ATOM 188 CB PRO A 12 11.648 -4.526 12.440 1.00 0.00 C ATOM 189 CG PRO A 12 12.031 -5.959 12.736 1.00 0.00 C ATOM 190 CD PRO A 12 11.771 -6.780 11.464 1.00 0.00 C ATOM 0 HA PRO A 12 9.840 -4.154 11.250 1.00 0.00 H new ATOM 0 HB2 PRO A 12 12.534 -3.899 12.343 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.050 -4.109 13.250 1.00 0.00 H new ATOM 0 HG2 PRO A 12 13.080 -6.023 13.026 1.00 0.00 H new ATOM 0 HG3 PRO A 12 11.446 -6.348 13.569 1.00 0.00 H new ATOM 0 HD2 PRO A 12 12.686 -6.924 10.889 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.385 -7.771 11.702 1.00 0.00 H new ATOM 198 N LEU A 13 10.789 -2.507 9.790 1.00 0.00 N ATOM 199 CA LEU A 13 11.276 -1.526 8.821 1.00 0.00 C ATOM 200 C LEU A 13 11.833 -0.315 9.593 1.00 0.00 C ATOM 201 O LEU A 13 11.344 -0.005 10.680 1.00 0.00 O ATOM 202 CB LEU A 13 10.130 -1.107 7.885 1.00 0.00 C ATOM 203 CG LEU A 13 9.427 -2.358 7.315 1.00 0.00 C ATOM 204 CD1 LEU A 13 8.436 -1.950 6.213 1.00 0.00 C ATOM 205 CD2 LEU A 13 10.466 -3.326 6.724 1.00 0.00 C ATOM 0 H LEU A 13 9.909 -2.251 10.239 1.00 0.00 H new ATOM 0 HA LEU A 13 12.068 -1.955 8.207 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.412 -0.493 8.429 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.520 -0.496 7.071 1.00 0.00 H new ATOM 0 HG LEU A 13 8.889 -2.852 8.125 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.945 -2.839 5.817 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.686 -1.277 6.629 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.973 -1.444 5.410 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.959 -4.205 6.325 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.013 -2.828 5.924 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.163 -3.632 7.504 1.00 0.00 H new ATOM 217 N PRO A 14 12.861 0.346 9.098 1.00 0.00 N ATOM 218 CA PRO A 14 13.481 1.495 9.826 1.00 0.00 C ATOM 219 C PRO A 14 12.440 2.495 10.348 1.00 0.00 C ATOM 220 O PRO A 14 11.360 2.650 9.783 1.00 0.00 O ATOM 221 CB PRO A 14 14.469 2.133 8.824 1.00 0.00 C ATOM 222 CG PRO A 14 14.379 1.331 7.545 1.00 0.00 C ATOM 223 CD PRO A 14 13.536 0.073 7.824 1.00 0.00 C ATOM 0 HA PRO A 14 13.995 1.160 10.727 1.00 0.00 H new ATOM 0 HB2 PRO A 14 14.215 3.177 8.643 1.00 0.00 H new ATOM 0 HB3 PRO A 14 15.485 2.116 9.220 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.923 1.927 6.754 1.00 0.00 H new ATOM 0 HG3 PRO A 14 15.375 1.052 7.200 1.00 0.00 H new ATOM 0 HD2 PRO A 14 12.816 -0.105 7.025 1.00 0.00 H new ATOM 0 HD3 PRO A 14 14.163 -0.816 7.892 1.00 0.00 H new ATOM 231 N ALA A 15 12.804 3.134 11.463 1.00 0.00 N ATOM 232 CA ALA A 15 11.957 4.112 12.155 1.00 0.00 C ATOM 233 C ALA A 15 11.517 5.273 11.256 1.00 0.00 C ATOM 234 O ALA A 15 11.628 6.435 11.648 1.00 0.00 O ATOM 235 CB ALA A 15 12.741 4.682 13.337 1.00 0.00 C ATOM 0 H ALA A 15 13.705 2.986 11.917 1.00 0.00 H new ATOM 0 HA ALA A 15 11.055 3.591 12.475 1.00 0.00 H new ATOM 0 HB1 ALA A 15 12.126 5.412 13.864 1.00 0.00 H new ATOM 0 HB2 ALA A 15 13.010 3.875 14.018 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.647 5.166 12.973 1.00 0.00 H new ATOM 241 N GLY A 16 11.021 4.970 10.064 1.00 0.00 N ATOM 242 CA GLY A 16 10.577 6.014 9.145 1.00 0.00 C ATOM 243 C GLY A 16 9.952 5.408 7.897 1.00 0.00 C ATOM 244 O GLY A 16 9.279 6.087 7.123 1.00 0.00 O ATOM 0 H GLY A 16 10.916 4.019 9.711 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.853 6.659 9.643 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.423 6.642 8.865 1.00 0.00 H new ATOM 248 N ALA A 17 10.239 4.132 7.687 1.00 0.00 N ATOM 249 CA ALA A 17 9.773 3.423 6.503 1.00 0.00 C ATOM 250 C ALA A 17 8.262 3.180 6.443 1.00 0.00 C ATOM 251 O ALA A 17 7.667 3.298 5.371 1.00 0.00 O ATOM 252 CB ALA A 17 10.555 2.116 6.330 1.00 0.00 C ATOM 0 H ALA A 17 10.796 3.563 8.325 1.00 0.00 H new ATOM 0 HA ALA A 17 9.972 4.089 5.664 1.00 0.00 H new ATOM 0 HB1 ALA A 17 10.199 1.594 5.442 1.00 0.00 H new ATOM 0 HB2 ALA A 17 11.616 2.339 6.219 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.407 1.485 7.206 1.00 0.00 H new ATOM 258 N ILE A 18 7.636 2.840 7.559 1.00 0.00 N ATOM 259 CA ILE A 18 6.197 2.593 7.536 1.00 0.00 C ATOM 260 C ILE A 18 5.469 3.847 7.072 1.00 0.00 C ATOM 261 O ILE A 18 4.634 3.798 6.170 1.00 0.00 O ATOM 262 CB ILE A 18 5.714 2.207 8.941 1.00 0.00 C ATOM 263 CG1 ILE A 18 6.260 0.812 9.324 1.00 0.00 C ATOM 264 CG2 ILE A 18 4.180 2.212 8.988 1.00 0.00 C ATOM 265 CD1 ILE A 18 5.373 -0.312 8.764 1.00 0.00 C ATOM 0 H ILE A 18 8.083 2.730 8.469 1.00 0.00 H new ATOM 0 HA ILE A 18 5.985 1.776 6.846 1.00 0.00 H new ATOM 0 HB ILE A 18 6.088 2.937 9.659 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.275 0.700 8.943 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.316 0.727 10.409 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.846 1.937 9.988 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.812 3.208 8.743 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.792 1.494 8.266 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.786 -1.279 9.052 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.364 -0.214 9.166 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.339 -0.241 7.677 1.00 0.00 H new ATOM 277 N ASP A 19 5.805 4.972 7.689 1.00 0.00 N ATOM 278 CA ASP A 19 5.183 6.229 7.310 1.00 0.00 C ATOM 279 C ASP A 19 5.481 6.522 5.846 1.00 0.00 C ATOM 280 O ASP A 19 4.621 7.033 5.131 1.00 0.00 O ATOM 281 CB ASP A 19 5.641 7.375 8.210 1.00 0.00 C ATOM 282 CG ASP A 19 4.915 8.659 7.825 1.00 0.00 C ATOM 283 OD1 ASP A 19 4.065 8.596 6.951 1.00 0.00 O ATOM 284 OD2 ASP A 19 5.220 9.686 8.408 1.00 0.00 O ATOM 0 H ASP A 19 6.492 5.039 8.440 1.00 0.00 H new ATOM 0 HA ASP A 19 4.105 6.139 7.440 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.440 7.132 9.253 1.00 0.00 H new ATOM 0 HB3 ASP A 19 6.718 7.514 8.117 1.00 0.00 H new ATOM 289 N ALA A 20 6.695 6.208 5.390 1.00 0.00 N ATOM 290 CA ALA A 20 7.033 6.473 3.998 1.00 0.00 C ATOM 291 C ALA A 20 6.218 5.584 3.052 1.00 0.00 C ATOM 292 O ALA A 20 5.736 6.044 2.016 1.00 0.00 O ATOM 293 CB ALA A 20 8.535 6.282 3.757 1.00 0.00 C ATOM 0 H ALA A 20 7.437 5.783 5.947 1.00 0.00 H new ATOM 0 HA ALA A 20 6.780 7.512 3.786 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.764 6.485 2.711 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.095 6.969 4.391 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.814 5.256 3.997 1.00 0.00 H new ATOM 299 N LEU A 21 6.068 4.314 3.419 1.00 0.00 N ATOM 300 CA LEU A 21 5.319 3.361 2.621 1.00 0.00 C ATOM 301 C LEU A 21 3.866 3.799 2.459 1.00 0.00 C ATOM 302 O LEU A 21 3.325 3.803 1.354 1.00 0.00 O ATOM 303 CB LEU A 21 5.424 1.989 3.307 1.00 0.00 C ATOM 304 CG LEU A 21 4.588 0.938 2.580 1.00 0.00 C ATOM 305 CD1 LEU A 21 5.160 0.670 1.184 1.00 0.00 C ATOM 306 CD2 LEU A 21 4.606 -0.363 3.389 1.00 0.00 C ATOM 0 H LEU A 21 6.462 3.923 4.275 1.00 0.00 H new ATOM 0 HA LEU A 21 5.735 3.303 1.615 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.467 1.672 3.333 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.089 2.071 4.341 1.00 0.00 H new ATOM 0 HG LEU A 21 3.567 1.306 2.478 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.552 -0.081 0.680 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.151 1.593 0.604 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.184 0.308 1.274 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.011 -1.119 2.876 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.633 -0.715 3.488 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.187 -0.182 4.379 1.00 0.00 H new ATOM 318 N ALA A 22 3.247 4.171 3.572 1.00 0.00 N ATOM 319 CA ALA A 22 1.860 4.616 3.554 1.00 0.00 C ATOM 320 C ALA A 22 1.710 5.847 2.658 1.00 0.00 C ATOM 321 O ALA A 22 0.736 5.950 1.912 1.00 0.00 O ATOM 322 CB ALA A 22 1.376 4.934 4.972 1.00 0.00 C ATOM 0 H ALA A 22 3.681 4.174 4.495 1.00 0.00 H new ATOM 0 HA ALA A 22 1.246 3.810 3.152 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.338 5.265 4.937 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.451 4.040 5.591 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.994 5.724 5.399 1.00 0.00 H new ATOM 328 N GLY A 23 2.664 6.760 2.704 1.00 0.00 N ATOM 329 CA GLY A 23 2.609 7.954 1.861 1.00 0.00 C ATOM 330 C GLY A 23 2.766 7.602 0.384 1.00 0.00 C ATOM 331 O GLY A 23 2.032 8.130 -0.452 1.00 0.00 O ATOM 0 H GLY A 23 3.483 6.704 3.310 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.659 8.466 2.015 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.397 8.647 2.157 1.00 0.00 H new ATOM 335 N GLU A 24 3.712 6.729 0.044 1.00 0.00 N ATOM 336 CA GLU A 24 3.894 6.375 -1.361 1.00 0.00 C ATOM 337 C GLU A 24 2.683 5.614 -1.893 1.00 0.00 C ATOM 338 O GLU A 24 2.253 5.833 -3.025 1.00 0.00 O ATOM 339 CB GLU A 24 5.174 5.547 -1.548 1.00 0.00 C ATOM 340 CG GLU A 24 5.461 5.369 -3.042 1.00 0.00 C ATOM 341 CD GLU A 24 5.793 6.714 -3.677 1.00 0.00 C ATOM 342 OE1 GLU A 24 6.114 7.632 -2.940 1.00 0.00 O ATOM 343 OE2 GLU A 24 5.726 6.808 -4.892 1.00 0.00 O ATOM 0 H GLU A 24 4.345 6.267 0.697 1.00 0.00 H new ATOM 0 HA GLU A 24 3.992 7.298 -1.932 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.014 6.044 -1.063 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.062 4.573 -1.071 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.292 4.678 -3.180 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.595 4.929 -3.536 1.00 0.00 H new ATOM 350 N LEU A 25 2.142 4.713 -1.084 1.00 0.00 N ATOM 351 CA LEU A 25 0.991 3.930 -1.517 1.00 0.00 C ATOM 352 C LEU A 25 -0.237 4.808 -1.753 1.00 0.00 C ATOM 353 O LEU A 25 -0.968 4.608 -2.720 1.00 0.00 O ATOM 354 CB LEU A 25 0.656 2.847 -0.483 1.00 0.00 C ATOM 355 CG LEU A 25 1.751 1.766 -0.448 1.00 0.00 C ATOM 356 CD1 LEU A 25 1.465 0.806 0.715 1.00 0.00 C ATOM 357 CD2 LEU A 25 1.782 0.974 -1.774 1.00 0.00 C ATOM 0 H LEU A 25 2.473 4.508 -0.141 1.00 0.00 H new ATOM 0 HA LEU A 25 1.260 3.460 -2.463 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.554 3.299 0.503 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.304 2.391 -0.726 1.00 0.00 H new ATOM 0 HG LEU A 25 2.720 2.247 -0.312 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.235 0.036 0.749 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.465 1.361 1.653 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.491 0.339 0.570 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.563 0.216 -1.727 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.817 0.492 -1.932 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.987 1.655 -2.600 1.00 0.00 H new ATOM 369 N SER A 26 -0.463 5.775 -0.874 1.00 0.00 N ATOM 370 CA SER A 26 -1.618 6.655 -1.017 1.00 0.00 C ATOM 371 C SER A 26 -1.557 7.429 -2.332 1.00 0.00 C ATOM 372 O SER A 26 -2.559 7.532 -3.042 1.00 0.00 O ATOM 373 CB SER A 26 -1.670 7.647 0.147 1.00 0.00 C ATOM 374 OG SER A 26 -0.625 8.600 0.000 1.00 0.00 O ATOM 0 H SER A 26 0.127 5.970 -0.065 1.00 0.00 H new ATOM 0 HA SER A 26 -2.514 6.035 -1.014 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.637 8.151 0.168 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.565 7.119 1.095 1.00 0.00 H new ATOM 0 HG SER A 26 0.229 8.134 -0.120 1.00 0.00 H new ATOM 380 N ARG A 27 -0.391 7.977 -2.657 1.00 0.00 N ATOM 381 CA ARG A 27 -0.250 8.735 -3.894 1.00 0.00 C ATOM 382 C ARG A 27 -0.568 7.843 -5.093 1.00 0.00 C ATOM 383 O ARG A 27 -1.238 8.268 -6.035 1.00 0.00 O ATOM 384 CB ARG A 27 1.180 9.265 -4.026 1.00 0.00 C ATOM 385 CG ARG A 27 1.426 10.362 -2.992 1.00 0.00 C ATOM 386 CD ARG A 27 2.857 10.876 -3.137 1.00 0.00 C ATOM 387 NE ARG A 27 3.124 11.914 -2.148 1.00 0.00 N ATOM 388 CZ ARG A 27 2.852 13.190 -2.397 1.00 0.00 C ATOM 389 NH1 ARG A 27 2.965 13.656 -3.611 1.00 0.00 N ATOM 390 NH2 ARG A 27 2.471 13.976 -1.428 1.00 0.00 N ATOM 0 H ARG A 27 0.456 7.913 -2.092 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.946 9.573 -3.869 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.893 8.453 -3.884 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.340 9.657 -5.030 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.717 11.178 -3.134 1.00 0.00 H new ATOM 0 HG3 ARG A 27 1.267 9.973 -1.986 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.561 10.053 -3.010 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.008 11.273 -4.141 1.00 0.00 H new ATOM 0 HE ARG A 27 3.527 11.655 -1.248 1.00 0.00 H new ATOM 0 HH11 ARG A 27 3.262 13.040 -4.368 1.00 0.00 H new ATOM 0 HH12 ARG A 27 2.756 14.636 -3.803 1.00 0.00 H new ATOM 0 HH21 ARG A 27 2.382 13.611 -0.480 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.262 14.956 -1.619 1.00 0.00 H new ATOM 404 N ARG A 28 -0.087 6.607 -5.048 1.00 0.00 N ATOM 405 CA ARG A 28 -0.327 5.656 -6.131 1.00 0.00 C ATOM 406 C ARG A 28 -1.819 5.358 -6.276 1.00 0.00 C ATOM 407 O ARG A 28 -2.339 5.240 -7.385 1.00 0.00 O ATOM 408 CB ARG A 28 0.429 4.357 -5.831 1.00 0.00 C ATOM 409 CG ARG A 28 1.951 4.593 -5.868 1.00 0.00 C ATOM 410 CD ARG A 28 2.478 4.536 -7.309 1.00 0.00 C ATOM 411 NE ARG A 28 2.232 3.216 -7.881 1.00 0.00 N ATOM 412 CZ ARG A 28 2.320 3.002 -9.190 1.00 0.00 C ATOM 413 NH1 ARG A 28 3.480 2.751 -9.734 1.00 0.00 N ATOM 414 NH2 ARG A 28 1.246 3.040 -9.930 1.00 0.00 N ATOM 0 H ARG A 28 0.470 6.239 -4.277 1.00 0.00 H new ATOM 0 HA ARG A 28 0.027 6.091 -7.066 1.00 0.00 H new ATOM 0 HB2 ARG A 28 0.138 3.979 -4.851 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.156 3.595 -6.561 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.184 5.563 -5.429 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.455 3.840 -5.262 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.989 5.300 -7.914 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.546 4.754 -7.323 1.00 0.00 H new ATOM 0 HE ARG A 28 1.988 2.442 -7.264 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.319 2.719 -9.155 1.00 0.00 H new ATOM 0 HH12 ARG A 28 3.547 2.587 -10.738 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.340 3.234 -9.504 1.00 0.00 H new ATOM 0 HH22 ARG A 28 1.313 2.876 -10.935 1.00 0.00 H new ATOM 428 N ILE A 29 -2.494 5.231 -5.137 1.00 0.00 N ATOM 429 CA ILE A 29 -3.924 4.936 -5.129 1.00 0.00 C ATOM 430 C ILE A 29 -4.738 6.087 -5.713 1.00 0.00 C ATOM 431 O ILE A 29 -5.671 5.870 -6.488 1.00 0.00 O ATOM 432 CB ILE A 29 -4.379 4.607 -3.696 1.00 0.00 C ATOM 433 CG1 ILE A 29 -3.809 3.230 -3.273 1.00 0.00 C ATOM 434 CG2 ILE A 29 -5.912 4.597 -3.600 1.00 0.00 C ATOM 435 CD1 ILE A 29 -4.355 2.083 -4.148 1.00 0.00 C ATOM 0 H ILE A 29 -2.076 5.327 -4.211 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.100 4.068 -5.764 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.001 5.377 -3.023 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.721 3.252 -3.342 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.059 3.040 -2.229 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.211 4.362 -2.578 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.300 5.578 -3.876 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.314 3.844 -4.278 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.928 1.137 -3.815 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.441 2.043 -4.059 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.082 2.258 -5.189 1.00 0.00 H new ATOM 447 N GLN A 30 -4.384 7.299 -5.337 1.00 0.00 N ATOM 448 CA GLN A 30 -5.094 8.478 -5.830 1.00 0.00 C ATOM 449 C GLN A 30 -4.924 8.646 -7.335 1.00 0.00 C ATOM 450 O GLN A 30 -5.882 9.006 -8.018 1.00 0.00 O ATOM 451 CB GLN A 30 -4.617 9.745 -5.094 1.00 0.00 C ATOM 452 CG GLN A 30 -5.129 9.759 -3.639 1.00 0.00 C ATOM 453 CD GLN A 30 -4.580 10.979 -2.906 1.00 0.00 C ATOM 454 OE1 GLN A 30 -4.986 12.107 -3.185 1.00 0.00 O ATOM 455 NE2 GLN A 30 -3.676 10.818 -1.978 1.00 0.00 N ATOM 0 H GLN A 30 -3.616 7.500 -4.697 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.155 8.331 -5.628 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -3.528 9.787 -5.101 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -4.974 10.632 -5.618 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.219 9.778 -3.628 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -4.821 8.847 -3.127 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.341 9.882 -1.749 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.304 11.628 -1.482 1.00 0.00 H new ATOM 464 N TYR A 31 -3.730 8.395 -7.876 1.00 0.00 N ATOM 465 CA TYR A 31 -3.527 8.545 -9.310 1.00 0.00 C ATOM 466 C TYR A 31 -4.349 7.498 -10.069 1.00 0.00 C ATOM 467 O TYR A 31 -4.922 7.794 -11.118 1.00 0.00 O ATOM 468 CB TYR A 31 -2.042 8.409 -9.653 1.00 0.00 C ATOM 469 CG TYR A 31 -1.836 8.564 -11.141 1.00 0.00 C ATOM 470 CD1 TYR A 31 -2.002 7.464 -11.993 1.00 0.00 C ATOM 471 CD2 TYR A 31 -1.468 9.808 -11.669 1.00 0.00 C ATOM 472 CE1 TYR A 31 -1.801 7.609 -13.371 1.00 0.00 C ATOM 473 CE2 TYR A 31 -1.269 9.953 -13.047 1.00 0.00 C ATOM 474 CZ TYR A 31 -1.435 8.853 -13.898 1.00 0.00 C ATOM 475 OH TYR A 31 -1.237 8.998 -15.256 1.00 0.00 O ATOM 0 H TYR A 31 -2.908 8.094 -7.353 1.00 0.00 H new ATOM 0 HA TYR A 31 -3.861 9.538 -9.611 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -1.467 9.164 -9.118 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -1.673 7.437 -9.326 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -2.285 6.504 -11.587 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -1.338 10.656 -11.013 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -1.928 6.761 -14.027 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -0.987 10.913 -13.454 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.989 9.925 -15.453 1.00 0.00 H new ATOM 485 N ALA A 32 -4.394 6.280 -9.545 1.00 0.00 N ATOM 486 CA ALA A 32 -5.139 5.197 -10.191 1.00 0.00 C ATOM 487 C ALA A 32 -6.651 5.393 -10.078 1.00 0.00 C ATOM 488 O ALA A 32 -7.406 5.032 -10.981 1.00 0.00 O ATOM 489 CB ALA A 32 -4.758 3.864 -9.545 1.00 0.00 C ATOM 0 H ALA A 32 -3.927 6.014 -8.678 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.878 5.201 -11.249 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.311 3.056 -10.024 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.688 3.693 -9.667 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.003 3.891 -8.483 1.00 0.00 H new ATOM 495 N PHE A 33 -7.082 5.944 -8.943 1.00 0.00 N ATOM 496 CA PHE A 33 -8.508 6.169 -8.678 1.00 0.00 C ATOM 497 C PHE A 33 -8.794 7.655 -8.461 1.00 0.00 C ATOM 498 O PHE A 33 -8.773 8.133 -7.326 1.00 0.00 O ATOM 499 CB PHE A 33 -8.902 5.389 -7.424 1.00 0.00 C ATOM 500 CG PHE A 33 -8.734 3.914 -7.696 1.00 0.00 C ATOM 501 CD1 PHE A 33 -9.752 3.202 -8.342 1.00 0.00 C ATOM 502 CD2 PHE A 33 -7.558 3.260 -7.312 1.00 0.00 C ATOM 503 CE1 PHE A 33 -9.593 1.836 -8.603 1.00 0.00 C ATOM 504 CE2 PHE A 33 -7.400 1.894 -7.572 1.00 0.00 C ATOM 505 CZ PHE A 33 -8.417 1.182 -8.218 1.00 0.00 C ATOM 0 H PHE A 33 -6.464 6.244 -8.189 1.00 0.00 H new ATOM 0 HA PHE A 33 -9.087 5.830 -9.537 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -8.280 5.691 -6.581 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -9.935 5.608 -7.153 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -10.660 3.707 -8.639 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -6.772 3.809 -6.815 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -10.378 1.287 -9.102 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -6.493 1.389 -7.274 1.00 0.00 H new ATOM 0 HZ PHE A 33 -8.294 0.128 -8.419 1.00 0.00 H new ATOM 515 N PRO A 34 -9.056 8.394 -9.514 1.00 0.00 N ATOM 516 CA PRO A 34 -9.344 9.851 -9.411 1.00 0.00 C ATOM 517 C PRO A 34 -10.745 10.158 -8.862 1.00 0.00 C ATOM 518 O PRO A 34 -10.988 11.218 -8.287 1.00 0.00 O ATOM 519 CB PRO A 34 -9.205 10.373 -10.872 1.00 0.00 C ATOM 520 CG PRO A 34 -8.821 9.191 -11.726 1.00 0.00 C ATOM 521 CD PRO A 34 -9.106 7.930 -10.910 1.00 0.00 C ATOM 0 HA PRO A 34 -8.663 10.331 -8.708 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -10.142 10.810 -11.217 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -8.448 11.155 -10.932 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -9.392 9.186 -12.654 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -7.767 9.241 -12.001 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -10.080 7.507 -11.156 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -8.364 7.155 -11.100 1.00 0.00 H new ATOM 529 N ASP A 35 -11.666 9.226 -9.112 1.00 0.00 N ATOM 530 CA ASP A 35 -13.072 9.383 -8.718 1.00 0.00 C ATOM 531 C ASP A 35 -13.423 8.794 -7.345 1.00 0.00 C ATOM 532 O ASP A 35 -14.534 9.029 -6.867 1.00 0.00 O ATOM 533 CB ASP A 35 -13.954 8.711 -9.771 1.00 0.00 C ATOM 534 CG ASP A 35 -15.421 9.015 -9.492 1.00 0.00 C ATOM 535 OD1 ASP A 35 -15.682 9.950 -8.752 1.00 0.00 O ATOM 536 OD2 ASP A 35 -16.263 8.309 -10.023 1.00 0.00 O ATOM 0 H ASP A 35 -11.464 8.347 -9.589 1.00 0.00 H new ATOM 0 HA ASP A 35 -13.247 10.456 -8.646 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -13.683 9.067 -10.765 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -13.789 7.634 -9.762 1.00 0.00 H new ATOM 541 N ASN A 36 -12.540 8.008 -6.716 1.00 0.00 N ATOM 542 CA ASN A 36 -12.877 7.389 -5.413 1.00 0.00 C ATOM 543 C ASN A 36 -11.869 7.722 -4.324 1.00 0.00 C ATOM 544 O ASN A 36 -10.668 7.547 -4.526 1.00 0.00 O ATOM 545 CB ASN A 36 -12.906 5.866 -5.589 1.00 0.00 C ATOM 546 CG ASN A 36 -14.115 5.461 -6.430 1.00 0.00 C ATOM 547 OD1 ASN A 36 -15.073 6.225 -6.547 1.00 0.00 O ATOM 548 ND2 ASN A 36 -14.134 4.296 -7.015 1.00 0.00 N ATOM 0 H ASN A 36 -11.610 7.785 -7.070 1.00 0.00 H new ATOM 0 HA ASN A 36 -13.844 7.785 -5.104 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -11.988 5.530 -6.071 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -12.951 5.380 -4.615 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -14.943 4.017 -7.570 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -13.340 3.663 -6.918 1.00 0.00 H new ATOM 555 N GLU A 37 -12.328 8.164 -3.164 1.00 0.00 N ATOM 556 CA GLU A 37 -11.437 8.469 -2.057 1.00 0.00 C ATOM 557 C GLU A 37 -10.722 7.206 -1.575 1.00 0.00 C ATOM 558 O GLU A 37 -11.362 6.225 -1.199 1.00 0.00 O ATOM 559 CB GLU A 37 -12.339 8.930 -0.897 1.00 0.00 C ATOM 560 CG GLU A 37 -13.169 10.171 -1.295 1.00 0.00 C ATOM 561 CD GLU A 37 -14.057 10.592 -0.130 1.00 0.00 C ATOM 562 OE1 GLU A 37 -14.293 9.768 0.737 1.00 0.00 O ATOM 563 OE2 GLU A 37 -14.491 11.732 -0.125 1.00 0.00 O ATOM 0 H GLU A 37 -13.316 8.320 -2.965 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.700 9.211 -2.366 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -13.008 8.119 -0.608 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.726 9.163 -0.026 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.506 10.990 -1.573 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -13.781 9.946 -2.168 1.00 0.00 H new ATOM 570 N GLY A 38 -9.396 7.256 -1.552 1.00 0.00 N ATOM 571 CA GLY A 38 -8.620 6.111 -1.061 1.00 0.00 C ATOM 572 C GLY A 38 -7.925 6.410 0.261 1.00 0.00 C ATOM 573 O GLY A 38 -7.148 7.363 0.326 1.00 0.00 O ATOM 0 H GLY A 38 -8.840 8.055 -1.859 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.281 5.253 -0.936 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.875 5.833 -1.806 1.00 0.00 H new ATOM 577 N HIS A 39 -8.156 5.609 1.305 1.00 0.00 N ATOM 578 CA HIS A 39 -7.482 5.839 2.594 1.00 0.00 C ATOM 579 C HIS A 39 -6.573 4.646 2.857 1.00 0.00 C ATOM 580 O HIS A 39 -7.036 3.506 2.822 1.00 0.00 O ATOM 581 CB HIS A 39 -8.519 5.963 3.713 1.00 0.00 C ATOM 582 CG HIS A 39 -7.825 6.213 5.024 1.00 0.00 C ATOM 583 ND1 HIS A 39 -7.595 5.204 5.946 1.00 0.00 N ATOM 584 CD2 HIS A 39 -7.311 7.357 5.584 1.00 0.00 C ATOM 585 CE1 HIS A 39 -6.969 5.755 7.002 1.00 0.00 C ATOM 586 NE2 HIS A 39 -6.773 7.065 6.834 1.00 0.00 N ATOM 0 H HIS A 39 -8.790 4.810 1.290 1.00 0.00 H new ATOM 0 HA HIS A 39 -6.903 6.762 2.563 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -9.208 6.779 3.494 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -9.113 5.051 3.773 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -7.323 8.334 5.124 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.662 5.204 7.879 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -6.325 7.713 7.482 1.00 0.00 H new ATOM 594 N VAL A 40 -5.281 4.889 3.067 1.00 0.00 N ATOM 595 CA VAL A 40 -4.327 3.803 3.269 1.00 0.00 C ATOM 596 C VAL A 40 -3.743 3.813 4.676 1.00 0.00 C ATOM 597 O VAL A 40 -3.253 4.838 5.147 1.00 0.00 O ATOM 598 CB VAL A 40 -3.206 3.961 2.248 1.00 0.00 C ATOM 599 CG1 VAL A 40 -2.204 2.823 2.412 1.00 0.00 C ATOM 600 CG2 VAL A 40 -3.800 3.929 0.833 1.00 0.00 C ATOM 0 H VAL A 40 -4.873 5.823 3.101 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.845 2.852 3.141 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.698 4.912 2.406 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.402 2.936 1.682 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.785 2.849 3.418 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.707 1.869 2.253 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.001 4.042 0.100 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.308 2.978 0.673 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.514 4.745 0.720 1.00 0.00 H new ATOM 610 N SER A 41 -3.774 2.651 5.328 1.00 0.00 N ATOM 611 CA SER A 41 -3.215 2.514 6.680 1.00 0.00 C ATOM 612 C SER A 41 -2.213 1.368 6.720 1.00 0.00 C ATOM 613 O SER A 41 -2.424 0.322 6.105 1.00 0.00 O ATOM 614 CB SER A 41 -4.324 2.281 7.703 1.00 0.00 C ATOM 615 OG SER A 41 -5.083 3.473 7.852 1.00 0.00 O ATOM 0 H SER A 41 -4.177 1.794 4.948 1.00 0.00 H new ATOM 0 HA SER A 41 -2.702 3.441 6.936 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.968 1.464 7.378 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.895 1.987 8.661 1.00 0.00 H new ATOM 0 HG SER A 41 -5.797 3.326 8.507 1.00 0.00 H new ATOM 621 N VAL A 42 -1.127 1.568 7.469 1.00 0.00 N ATOM 622 CA VAL A 42 -0.097 0.532 7.609 1.00 0.00 C ATOM 623 C VAL A 42 0.224 0.316 9.084 1.00 0.00 C ATOM 624 O VAL A 42 0.512 1.269 9.807 1.00 0.00 O ATOM 625 CB VAL A 42 1.176 0.925 6.855 1.00 0.00 C ATOM 626 CG1 VAL A 42 2.207 -0.196 6.987 1.00 0.00 C ATOM 627 CG2 VAL A 42 0.863 1.172 5.373 1.00 0.00 C ATOM 0 H VAL A 42 -0.937 2.428 7.984 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.481 -0.394 7.181 1.00 0.00 H new ATOM 0 HB VAL A 42 1.576 1.844 7.284 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.115 0.080 6.451 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.440 -0.353 8.040 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.801 -1.115 6.564 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.778 1.451 4.849 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.454 0.263 4.931 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.134 1.978 5.284 1.00 0.00 H new ATOM 637 N ARG A 43 0.176 -0.950 9.530 1.00 0.00 N ATOM 638 CA ARG A 43 0.467 -1.266 10.934 1.00 0.00 C ATOM 639 C ARG A 43 1.128 -2.637 11.068 1.00 0.00 C ATOM 640 O ARG A 43 1.005 -3.486 10.185 1.00 0.00 O ATOM 641 CB ARG A 43 -0.826 -1.262 11.754 1.00 0.00 C ATOM 642 CG ARG A 43 -1.616 0.013 11.468 1.00 0.00 C ATOM 643 CD ARG A 43 -2.775 0.134 12.457 1.00 0.00 C ATOM 644 NE ARG A 43 -3.585 1.308 12.141 1.00 0.00 N ATOM 645 CZ ARG A 43 -4.606 1.238 11.290 1.00 0.00 C ATOM 646 NH1 ARG A 43 -4.571 0.394 10.294 1.00 0.00 N ATOM 647 NH2 ARG A 43 -5.644 2.012 11.451 1.00 0.00 N ATOM 0 H ARG A 43 -0.057 -1.756 8.950 1.00 0.00 H new ATOM 0 HA ARG A 43 1.151 -0.504 11.307 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.427 -2.137 11.506 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -0.594 -1.326 12.817 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.964 0.882 11.549 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.997 -0.005 10.447 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.392 -0.764 12.418 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.389 0.212 13.473 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.363 2.201 12.582 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.761 -0.212 10.168 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -5.354 0.341 9.642 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -5.673 2.671 12.229 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.426 1.958 10.799 1.00 0.00 H new ATOM 661 N TYR A 44 1.803 -2.855 12.195 1.00 0.00 N ATOM 662 CA TYR A 44 2.449 -4.138 12.455 1.00 0.00 C ATOM 663 C TYR A 44 1.413 -5.118 12.995 1.00 0.00 C ATOM 664 O TYR A 44 0.585 -4.763 13.835 1.00 0.00 O ATOM 665 CB TYR A 44 3.584 -3.990 13.474 1.00 0.00 C ATOM 666 CG TYR A 44 4.727 -3.194 12.884 1.00 0.00 C ATOM 667 CD1 TYR A 44 5.441 -3.702 11.793 1.00 0.00 C ATOM 668 CD2 TYR A 44 5.081 -1.955 13.436 1.00 0.00 C ATOM 669 CE1 TYR A 44 6.507 -2.972 11.253 1.00 0.00 C ATOM 670 CE2 TYR A 44 6.146 -1.226 12.897 1.00 0.00 C ATOM 671 CZ TYR A 44 6.859 -1.734 11.805 1.00 0.00 C ATOM 672 OH TYR A 44 7.909 -1.014 11.272 1.00 0.00 O ATOM 0 H TYR A 44 1.916 -2.165 12.937 1.00 0.00 H new ATOM 0 HA TYR A 44 2.872 -4.508 11.521 1.00 0.00 H new ATOM 0 HB2 TYR A 44 3.213 -3.494 14.371 1.00 0.00 H new ATOM 0 HB3 TYR A 44 3.938 -4.975 13.778 1.00 0.00 H new ATOM 0 HD1 TYR A 44 5.170 -4.657 11.368 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.531 -1.563 14.279 1.00 0.00 H new ATOM 0 HE1 TYR A 44 7.058 -3.364 10.411 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.418 -0.272 13.323 1.00 0.00 H new ATOM 0 HH TYR A 44 8.019 -0.178 11.771 1.00 0.00 H new ATOM 682 N ALA A 45 1.463 -6.359 12.502 1.00 0.00 N ATOM 683 CA ALA A 45 0.527 -7.401 12.924 1.00 0.00 C ATOM 684 C ALA A 45 1.260 -8.733 13.048 1.00 0.00 C ATOM 685 O ALA A 45 2.397 -8.860 12.599 1.00 0.00 O ATOM 686 CB ALA A 45 -0.606 -7.534 11.907 1.00 0.00 C ATOM 0 H ALA A 45 2.145 -6.666 11.808 1.00 0.00 H new ATOM 0 HA ALA A 45 0.107 -7.126 13.891 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.297 -8.312 12.231 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.138 -6.586 11.829 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.192 -7.799 10.934 1.00 0.00 H new ATOM 692 N ALA A 46 0.618 -9.724 13.659 1.00 0.00 N ATOM 693 CA ALA A 46 1.257 -11.024 13.818 1.00 0.00 C ATOM 694 C ALA A 46 1.596 -11.615 12.446 1.00 0.00 C ATOM 695 O ALA A 46 2.535 -12.403 12.328 1.00 0.00 O ATOM 696 CB ALA A 46 0.375 -11.981 14.624 1.00 0.00 C ATOM 0 H ALA A 46 -0.324 -9.655 14.044 1.00 0.00 H new ATOM 0 HA ALA A 46 2.183 -10.885 14.376 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.879 -12.942 14.725 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.192 -11.561 15.613 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.575 -12.122 14.108 1.00 0.00 H new ATOM 702 N ALA A 47 0.819 -11.267 11.412 1.00 0.00 N ATOM 703 CA ALA A 47 1.059 -11.819 10.068 1.00 0.00 C ATOM 704 C ALA A 47 0.880 -10.776 8.967 1.00 0.00 C ATOM 705 O ALA A 47 0.071 -9.857 9.095 1.00 0.00 O ATOM 706 CB ALA A 47 0.106 -12.989 9.809 1.00 0.00 C ATOM 0 H ALA A 47 0.034 -10.619 11.474 1.00 0.00 H new ATOM 0 HA ALA A 47 2.095 -12.156 10.042 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.288 -13.393 8.813 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.275 -13.767 10.553 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.925 -12.641 9.876 1.00 0.00 H new ATOM 712 N ASN A 48 1.598 -10.962 7.856 1.00 0.00 N ATOM 713 CA ASN A 48 1.461 -10.067 6.711 1.00 0.00 C ATOM 714 C ASN A 48 0.097 -10.331 6.088 1.00 0.00 C ATOM 715 O ASN A 48 -0.220 -11.472 5.758 1.00 0.00 O ATOM 716 CB ASN A 48 2.547 -10.354 5.671 1.00 0.00 C ATOM 717 CG ASN A 48 2.398 -9.402 4.486 1.00 0.00 C ATOM 718 OD1 ASN A 48 1.819 -9.767 3.463 1.00 0.00 O ATOM 719 ND2 ASN A 48 2.902 -8.200 4.561 1.00 0.00 N ATOM 0 H ASN A 48 2.272 -11.717 7.728 1.00 0.00 H new ATOM 0 HA ASN A 48 1.559 -9.031 7.035 1.00 0.00 H new ATOM 0 HB2 ASN A 48 3.533 -10.237 6.121 1.00 0.00 H new ATOM 0 HB3 ASN A 48 2.472 -11.387 5.330 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.816 -7.561 3.771 1.00 0.00 H new ATOM 0 HD22 ASN A 48 3.381 -7.900 5.410 1.00 0.00 H new ATOM 726 N ASN A 49 -0.709 -9.289 5.914 1.00 0.00 N ATOM 727 CA ASN A 49 -2.033 -9.444 5.314 1.00 0.00 C ATOM 728 C ASN A 49 -2.436 -8.170 4.581 1.00 0.00 C ATOM 729 O ASN A 49 -2.049 -7.069 4.970 1.00 0.00 O ATOM 730 CB ASN A 49 -3.070 -9.770 6.396 1.00 0.00 C ATOM 731 CG ASN A 49 -2.881 -11.197 6.896 1.00 0.00 C ATOM 732 OD1 ASN A 49 -2.452 -12.071 6.143 1.00 0.00 O ATOM 733 ND2 ASN A 49 -3.178 -11.488 8.133 1.00 0.00 N ATOM 0 H ASN A 49 -0.472 -8.332 6.178 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.994 -10.266 4.599 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -2.972 -9.070 7.226 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.076 -9.648 5.994 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.055 -12.440 8.477 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.533 -10.763 8.756 1.00 0.00 H new ATOM 740 N LEU A 50 -3.238 -8.326 3.529 1.00 0.00 N ATOM 741 CA LEU A 50 -3.729 -7.191 2.743 1.00 0.00 C ATOM 742 C LEU A 50 -5.248 -7.303 2.691 1.00 0.00 C ATOM 743 O LEU A 50 -5.774 -8.312 2.221 1.00 0.00 O ATOM 744 CB LEU A 50 -3.150 -7.259 1.320 1.00 0.00 C ATOM 745 CG LEU A 50 -3.572 -6.019 0.495 1.00 0.00 C ATOM 746 CD1 LEU A 50 -2.626 -4.835 0.777 1.00 0.00 C ATOM 747 CD2 LEU A 50 -3.539 -6.355 -1.008 1.00 0.00 C ATOM 0 H LEU A 50 -3.565 -9.234 3.198 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.427 -6.245 3.192 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.063 -7.317 1.367 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.496 -8.166 0.825 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.585 -5.739 0.785 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.938 -3.972 0.189 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.663 -4.584 1.837 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.607 -5.111 0.505 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.837 -5.479 -1.583 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.529 -6.650 -1.293 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.228 -7.175 -1.213 1.00 0.00 H new ATOM 759 N SER A 51 -5.959 -6.273 3.152 1.00 0.00 N ATOM 760 CA SER A 51 -7.424 -6.284 3.124 1.00 0.00 C ATOM 761 C SER A 51 -7.942 -5.067 2.359 1.00 0.00 C ATOM 762 O SER A 51 -7.550 -3.937 2.653 1.00 0.00 O ATOM 763 CB SER A 51 -7.957 -6.228 4.556 1.00 0.00 C ATOM 764 OG SER A 51 -7.687 -7.462 5.209 1.00 0.00 O ATOM 0 H SER A 51 -5.549 -5.426 3.547 1.00 0.00 H new ATOM 0 HA SER A 51 -7.762 -7.195 2.631 1.00 0.00 H new ATOM 0 HB2 SER A 51 -7.488 -5.407 5.098 1.00 0.00 H new ATOM 0 HB3 SER A 51 -9.030 -6.035 4.549 1.00 0.00 H new ATOM 0 HG SER A 51 -8.027 -7.427 6.128 1.00 0.00 H new ATOM 770 N VAL A 52 -8.846 -5.292 1.407 1.00 0.00 N ATOM 771 CA VAL A 52 -9.442 -4.196 0.634 1.00 0.00 C ATOM 772 C VAL A 52 -10.955 -4.239 0.798 1.00 0.00 C ATOM 773 O VAL A 52 -11.579 -5.270 0.547 1.00 0.00 O ATOM 774 CB VAL A 52 -9.078 -4.313 -0.844 1.00 0.00 C ATOM 775 CG1 VAL A 52 -9.777 -3.195 -1.620 1.00 0.00 C ATOM 776 CG2 VAL A 52 -7.563 -4.176 -1.012 1.00 0.00 C ATOM 0 H VAL A 52 -9.183 -6.220 1.150 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.053 -3.248 1.006 1.00 0.00 H new ATOM 0 HB VAL A 52 -9.397 -5.284 -1.224 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -9.522 -3.271 -2.677 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -10.856 -3.288 -1.499 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.451 -2.228 -1.237 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.305 -4.260 -2.068 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.242 -3.205 -0.636 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.062 -4.966 -0.452 1.00 0.00 H new ATOM 786 N ILE A 53 -11.549 -3.123 1.224 1.00 0.00 N ATOM 787 CA ILE A 53 -13.000 -3.054 1.423 1.00 0.00 C ATOM 788 C ILE A 53 -13.623 -1.956 0.560 1.00 0.00 C ATOM 789 O ILE A 53 -13.183 -0.806 0.593 1.00 0.00 O ATOM 790 CB ILE A 53 -13.295 -2.763 2.897 1.00 0.00 C ATOM 791 CG1 ILE A 53 -12.699 -3.871 3.777 1.00 0.00 C ATOM 792 CG2 ILE A 53 -14.809 -2.702 3.111 1.00 0.00 C ATOM 793 CD1 ILE A 53 -12.651 -3.398 5.231 1.00 0.00 C ATOM 0 H ILE A 53 -11.052 -2.258 1.437 1.00 0.00 H new ATOM 0 HA ILE A 53 -13.433 -4.011 1.131 1.00 0.00 H new ATOM 0 HB ILE A 53 -12.847 -1.808 3.171 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -13.301 -4.776 3.698 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -11.696 -4.124 3.432 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -15.020 -2.495 4.160 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.232 -1.911 2.493 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -15.255 -3.657 2.833 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -12.228 -4.185 5.856 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -12.031 -2.505 5.303 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -13.660 -3.167 5.572 1.00 0.00 H new ATOM 805 N GLY A 54 -14.666 -2.311 -0.196 1.00 0.00 N ATOM 806 CA GLY A 54 -15.361 -1.337 -1.040 1.00 0.00 C ATOM 807 C GLY A 54 -14.823 -1.321 -2.467 1.00 0.00 C ATOM 808 O GLY A 54 -15.071 -0.367 -3.208 1.00 0.00 O ATOM 0 H GLY A 54 -15.044 -3.257 -0.241 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -16.426 -1.569 -1.058 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -15.259 -0.343 -0.604 1.00 0.00 H new ATOM 812 N ALA A 55 -14.078 -2.360 -2.858 1.00 0.00 N ATOM 813 CA ALA A 55 -13.506 -2.419 -4.214 1.00 0.00 C ATOM 814 C ALA A 55 -13.952 -3.666 -4.967 1.00 0.00 C ATOM 815 O ALA A 55 -14.376 -4.664 -4.384 1.00 0.00 O ATOM 816 CB ALA A 55 -11.975 -2.394 -4.144 1.00 0.00 C ATOM 0 H ALA A 55 -13.857 -3.162 -2.268 1.00 0.00 H new ATOM 0 HA ALA A 55 -13.870 -1.546 -4.755 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.564 -2.438 -5.153 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.648 -1.474 -3.659 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -11.623 -3.252 -3.571 1.00 0.00 H new ATOM 822 N THR A 56 -13.791 -3.582 -6.285 1.00 0.00 N ATOM 823 CA THR A 56 -14.088 -4.651 -7.227 1.00 0.00 C ATOM 824 C THR A 56 -12.837 -5.487 -7.449 1.00 0.00 C ATOM 825 O THR A 56 -11.725 -5.058 -7.141 1.00 0.00 O ATOM 826 CB THR A 56 -14.496 -4.024 -8.562 1.00 0.00 C ATOM 827 OG1 THR A 56 -13.416 -3.257 -9.072 1.00 0.00 O ATOM 828 CG2 THR A 56 -15.713 -3.121 -8.353 1.00 0.00 C ATOM 0 H THR A 56 -13.439 -2.739 -6.739 1.00 0.00 H new ATOM 0 HA THR A 56 -14.889 -5.278 -6.836 1.00 0.00 H new ATOM 0 HB THR A 56 -14.749 -4.812 -9.272 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.559 -2.311 -8.862 1.00 0.00 H new ATOM 0 HG21 THR A 56 -16.003 -2.675 -9.304 1.00 0.00 H new ATOM 0 HG22 THR A 56 -16.541 -3.712 -7.962 1.00 0.00 H new ATOM 0 HG23 THR A 56 -15.463 -2.332 -7.644 1.00 0.00 H new ATOM 836 N LYS A 57 -13.036 -6.712 -7.930 1.00 0.00 N ATOM 837 CA LYS A 57 -11.933 -7.643 -8.132 1.00 0.00 C ATOM 838 C LYS A 57 -10.876 -7.099 -9.092 1.00 0.00 C ATOM 839 O LYS A 57 -9.682 -7.250 -8.835 1.00 0.00 O ATOM 840 CB LYS A 57 -12.483 -8.962 -8.694 1.00 0.00 C ATOM 841 CG LYS A 57 -13.512 -9.575 -7.727 1.00 0.00 C ATOM 842 CD LYS A 57 -14.302 -10.672 -8.447 1.00 0.00 C ATOM 843 CE LYS A 57 -13.365 -11.818 -8.843 1.00 0.00 C ATOM 844 NZ LYS A 57 -12.639 -11.459 -10.094 1.00 0.00 N ATOM 0 H LYS A 57 -13.952 -7.081 -8.187 1.00 0.00 H new ATOM 0 HA LYS A 57 -11.455 -7.797 -7.165 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.948 -8.785 -9.664 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.665 -9.664 -8.856 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.005 -9.990 -6.856 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.190 -8.803 -7.364 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -15.094 -11.046 -7.799 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.784 -10.262 -9.335 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.653 -12.013 -8.041 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.937 -12.734 -8.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.662 -12.264 -10.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.096 -10.636 -10.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -11.651 -11.226 -9.867 1.00 0.00 H new ATOM 858 N GLU A 58 -11.283 -6.450 -10.181 1.00 0.00 N ATOM 859 CA GLU A 58 -10.312 -5.894 -11.118 1.00 0.00 C ATOM 860 C GLU A 58 -9.522 -4.779 -10.450 1.00 0.00 C ATOM 861 O GLU A 58 -8.316 -4.649 -10.660 1.00 0.00 O ATOM 862 CB GLU A 58 -11.030 -5.364 -12.362 1.00 0.00 C ATOM 863 CG GLU A 58 -10.001 -4.922 -13.405 1.00 0.00 C ATOM 864 CD GLU A 58 -10.715 -4.399 -14.646 1.00 0.00 C ATOM 865 OE1 GLU A 58 -11.935 -4.424 -14.660 1.00 0.00 O ATOM 866 OE2 GLU A 58 -10.031 -3.983 -15.568 1.00 0.00 O ATOM 0 H GLU A 58 -12.260 -6.298 -10.433 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.620 -6.680 -11.420 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -11.674 -6.138 -12.779 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -11.672 -4.525 -12.093 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.359 -4.145 -12.989 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.356 -5.760 -13.671 1.00 0.00 H new ATOM 873 N ASP A 59 -10.205 -3.991 -9.609 1.00 0.00 N ATOM 874 CA ASP A 59 -9.543 -2.917 -8.885 1.00 0.00 C ATOM 875 C ASP A 59 -8.508 -3.526 -7.954 1.00 0.00 C ATOM 876 O ASP A 59 -7.379 -3.048 -7.846 1.00 0.00 O ATOM 877 CB ASP A 59 -10.563 -2.114 -8.073 1.00 0.00 C ATOM 878 CG ASP A 59 -11.458 -1.306 -9.006 1.00 0.00 C ATOM 879 OD1 ASP A 59 -11.017 -1.005 -10.103 1.00 0.00 O ATOM 880 OD2 ASP A 59 -12.569 -0.998 -8.609 1.00 0.00 O ATOM 0 H ASP A 59 -11.203 -4.081 -9.420 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.060 -2.243 -9.593 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -11.170 -2.788 -7.468 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -10.046 -1.446 -7.384 1.00 0.00 H new ATOM 885 N LYS A 60 -8.922 -4.594 -7.282 1.00 0.00 N ATOM 886 CA LYS A 60 -8.043 -5.285 -6.353 1.00 0.00 C ATOM 887 C LYS A 60 -6.813 -5.849 -7.070 1.00 0.00 C ATOM 888 O LYS A 60 -5.706 -5.755 -6.538 1.00 0.00 O ATOM 889 CB LYS A 60 -8.798 -6.383 -5.590 1.00 0.00 C ATOM 890 CG LYS A 60 -7.865 -7.048 -4.570 1.00 0.00 C ATOM 891 CD LYS A 60 -8.619 -8.142 -3.811 1.00 0.00 C ATOM 892 CE LYS A 60 -7.634 -8.922 -2.937 1.00 0.00 C ATOM 893 NZ LYS A 60 -8.323 -10.094 -2.324 1.00 0.00 N ATOM 0 H LYS A 60 -9.856 -4.997 -7.364 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.692 -4.557 -5.622 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.662 -5.956 -5.081 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.177 -7.129 -6.289 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.001 -7.476 -5.079 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.486 -6.303 -3.870 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.400 -7.699 -3.193 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.111 -8.815 -4.513 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.788 -9.258 -3.537 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.234 -8.274 -2.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.650 -10.621 -1.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.116 -9.763 -1.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.684 -10.716 -3.075 1.00 0.00 H new ATOM 907 N GLN A 61 -6.966 -6.400 -8.275 1.00 0.00 N ATOM 908 CA GLN A 61 -5.797 -6.907 -8.992 1.00 0.00 C ATOM 909 C GLN A 61 -4.877 -5.740 -9.324 1.00 0.00 C ATOM 910 O GLN A 61 -3.659 -5.850 -9.178 1.00 0.00 O ATOM 911 CB GLN A 61 -6.215 -7.609 -10.288 1.00 0.00 C ATOM 912 CG GLN A 61 -6.929 -8.922 -9.968 1.00 0.00 C ATOM 913 CD GLN A 61 -7.407 -9.577 -11.259 1.00 0.00 C ATOM 914 OE1 GLN A 61 -7.582 -8.900 -12.272 1.00 0.00 O ATOM 915 NE2 GLN A 61 -7.627 -10.864 -11.287 1.00 0.00 N ATOM 0 H GLN A 61 -7.856 -6.505 -8.761 1.00 0.00 H new ATOM 0 HA GLN A 61 -5.281 -7.629 -8.360 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -6.873 -6.960 -10.866 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -5.337 -7.804 -10.904 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -6.254 -9.593 -9.437 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -7.777 -8.735 -9.309 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -7.482 -11.425 -10.447 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -7.944 -11.309 -12.149 1.00 0.00 H new ATOM 924 N ARG A 62 -5.448 -4.613 -9.785 1.00 0.00 N ATOM 925 CA ARG A 62 -4.613 -3.469 -10.128 1.00 0.00 C ATOM 926 C ARG A 62 -3.842 -3.022 -8.899 1.00 0.00 C ATOM 927 O ARG A 62 -2.646 -2.741 -8.973 1.00 0.00 O ATOM 928 CB ARG A 62 -5.421 -2.282 -10.671 1.00 0.00 C ATOM 929 CG ARG A 62 -5.829 -2.510 -12.129 1.00 0.00 C ATOM 930 CD ARG A 62 -4.665 -2.197 -13.083 1.00 0.00 C ATOM 931 NE ARG A 62 -5.144 -2.192 -14.462 1.00 0.00 N ATOM 932 CZ ARG A 62 -4.314 -2.013 -15.485 1.00 0.00 C ATOM 933 NH1 ARG A 62 -3.032 -1.903 -15.275 1.00 0.00 N ATOM 934 NH2 ARG A 62 -4.786 -1.948 -16.701 1.00 0.00 N ATOM 0 H ARG A 62 -6.450 -4.479 -9.922 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.936 -3.792 -10.919 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.312 -2.135 -10.060 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.829 -1.370 -10.595 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.146 -3.544 -12.264 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -6.684 -1.880 -12.374 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.230 -1.228 -12.836 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.876 -2.940 -12.965 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.138 -2.329 -14.645 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -2.665 -1.954 -14.325 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -2.396 -1.766 -16.061 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -5.789 -2.034 -16.864 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.151 -1.811 -17.488 1.00 0.00 H new ATOM 948 N ILE A 63 -4.528 -2.951 -7.773 1.00 0.00 N ATOM 949 CA ILE A 63 -3.863 -2.530 -6.559 1.00 0.00 C ATOM 950 C ILE A 63 -2.735 -3.497 -6.244 1.00 0.00 C ATOM 951 O ILE A 63 -1.632 -3.074 -5.899 1.00 0.00 O ATOM 952 CB ILE A 63 -4.842 -2.398 -5.397 1.00 0.00 C ATOM 953 CG1 ILE A 63 -5.807 -1.234 -5.659 1.00 0.00 C ATOM 954 CG2 ILE A 63 -4.073 -2.124 -4.104 1.00 0.00 C ATOM 955 CD1 ILE A 63 -6.956 -1.284 -4.649 1.00 0.00 C ATOM 0 H ILE A 63 -5.519 -3.173 -7.675 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.440 -1.537 -6.713 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.405 -3.327 -5.302 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.278 -0.284 -5.577 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -6.199 -1.294 -6.674 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.775 -2.030 -3.276 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.387 -2.948 -3.907 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.507 -1.198 -4.206 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.641 -0.457 -4.836 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.491 -2.228 -4.753 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -6.556 -1.203 -3.638 1.00 0.00 H new ATOM 967 N SER A 64 -2.986 -4.791 -6.405 1.00 0.00 N ATOM 968 CA SER A 64 -1.932 -5.762 -6.172 1.00 0.00 C ATOM 969 C SER A 64 -0.784 -5.463 -7.133 1.00 0.00 C ATOM 970 O SER A 64 0.374 -5.443 -6.713 1.00 0.00 O ATOM 971 CB SER A 64 -2.435 -7.187 -6.394 1.00 0.00 C ATOM 972 OG SER A 64 -3.481 -7.463 -5.472 1.00 0.00 O ATOM 0 H SER A 64 -3.885 -5.181 -6.688 1.00 0.00 H new ATOM 0 HA SER A 64 -1.597 -5.686 -5.138 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.795 -7.303 -7.416 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.620 -7.898 -6.261 1.00 0.00 H new ATOM 0 HG SER A 64 -4.279 -6.951 -5.719 1.00 0.00 H new ATOM 978 N GLU A 65 -1.074 -5.229 -8.423 1.00 0.00 N ATOM 979 CA GLU A 65 -0.014 -4.942 -9.389 1.00 0.00 C ATOM 980 C GLU A 65 0.686 -3.637 -9.024 1.00 0.00 C ATOM 981 O GLU A 65 1.913 -3.554 -9.063 1.00 0.00 O ATOM 982 CB GLU A 65 -0.594 -4.853 -10.805 1.00 0.00 C ATOM 983 CG GLU A 65 -1.034 -6.245 -11.272 1.00 0.00 C ATOM 984 CD GLU A 65 0.184 -7.133 -11.506 1.00 0.00 C ATOM 985 OE1 GLU A 65 1.282 -6.602 -11.551 1.00 0.00 O ATOM 986 OE2 GLU A 65 0.000 -8.331 -11.646 1.00 0.00 O ATOM 0 H GLU A 65 -2.017 -5.233 -8.811 1.00 0.00 H new ATOM 0 HA GLU A 65 0.714 -5.753 -9.362 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.443 -4.169 -10.818 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.152 -4.448 -11.489 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.685 -6.698 -10.524 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.614 -6.162 -12.191 1.00 0.00 H new ATOM 993 N ILE A 66 -0.092 -2.617 -8.672 1.00 0.00 N ATOM 994 CA ILE A 66 0.483 -1.328 -8.308 1.00 0.00 C ATOM 995 C ILE A 66 1.409 -1.486 -7.106 1.00 0.00 C ATOM 996 O ILE A 66 2.524 -0.963 -7.093 1.00 0.00 O ATOM 997 CB ILE A 66 -0.646 -0.317 -8.046 1.00 0.00 C ATOM 998 CG1 ILE A 66 -1.339 0.028 -9.395 1.00 0.00 C ATOM 999 CG2 ILE A 66 -0.067 0.951 -7.413 1.00 0.00 C ATOM 1000 CD1 ILE A 66 -2.821 0.376 -9.185 1.00 0.00 C ATOM 0 H ILE A 66 -1.110 -2.657 -8.632 1.00 0.00 H new ATOM 0 HA ILE A 66 1.088 -0.945 -9.130 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.377 -0.748 -7.362 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.828 0.869 -9.865 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.254 -0.818 -10.077 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -0.870 1.665 -7.229 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.417 0.698 -6.470 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.664 1.394 -8.089 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.279 0.613 -10.145 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.335 -0.475 -8.738 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.902 1.238 -8.522 1.00 0.00 H new ATOM 1012 N LEU A 67 0.954 -2.235 -6.121 1.00 0.00 N ATOM 1013 CA LEU A 67 1.764 -2.485 -4.945 1.00 0.00 C ATOM 1014 C LEU A 67 3.046 -3.176 -5.364 1.00 0.00 C ATOM 1015 O LEU A 67 4.129 -2.824 -4.898 1.00 0.00 O ATOM 1016 CB LEU A 67 0.978 -3.366 -3.951 1.00 0.00 C ATOM 1017 CG LEU A 67 1.891 -4.008 -2.876 1.00 0.00 C ATOM 1018 CD1 LEU A 67 2.382 -2.954 -1.874 1.00 0.00 C ATOM 1019 CD2 LEU A 67 1.081 -5.071 -2.127 1.00 0.00 C ATOM 0 H LEU A 67 0.035 -2.678 -6.111 1.00 0.00 H new ATOM 0 HA LEU A 67 2.009 -1.542 -4.456 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.214 -2.762 -3.461 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.459 -4.152 -4.499 1.00 0.00 H new ATOM 0 HG LEU A 67 2.759 -4.451 -3.364 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.021 -3.429 -1.130 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.948 -2.187 -2.401 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.526 -2.497 -1.378 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.707 -5.535 -1.365 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.218 -4.604 -1.653 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.741 -5.832 -2.830 1.00 0.00 H new ATOM 1031 N GLN A 68 2.931 -4.139 -6.259 1.00 0.00 N ATOM 1032 CA GLN A 68 4.116 -4.822 -6.728 1.00 0.00 C ATOM 1033 C GLN A 68 5.069 -3.830 -7.393 1.00 0.00 C ATOM 1034 O GLN A 68 6.256 -3.810 -7.080 1.00 0.00 O ATOM 1035 CB GLN A 68 3.756 -5.935 -7.715 1.00 0.00 C ATOM 1036 CG GLN A 68 5.040 -6.628 -8.181 1.00 0.00 C ATOM 1037 CD GLN A 68 4.704 -7.892 -8.967 1.00 0.00 C ATOM 1038 OE1 GLN A 68 3.554 -8.330 -8.980 1.00 0.00 O ATOM 1039 NE2 GLN A 68 5.646 -8.501 -9.634 1.00 0.00 N ATOM 0 H GLN A 68 2.052 -4.458 -6.666 1.00 0.00 H new ATOM 0 HA GLN A 68 4.608 -5.272 -5.866 1.00 0.00 H new ATOM 0 HB2 GLN A 68 3.090 -6.656 -7.241 1.00 0.00 H new ATOM 0 HB3 GLN A 68 3.221 -5.521 -8.570 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.623 -5.949 -8.803 1.00 0.00 H new ATOM 0 HG3 GLN A 68 5.658 -6.881 -7.320 1.00 0.00 H new ATOM 0 HE21 GLN A 68 6.598 -8.135 -9.621 1.00 0.00 H new ATOM 0 HE22 GLN A 68 5.430 -9.343 -10.168 1.00 0.00 H new ATOM 1048 N GLU A 69 4.565 -3.024 -8.329 1.00 0.00 N ATOM 1049 CA GLU A 69 5.418 -2.071 -9.039 1.00 0.00 C ATOM 1050 C GLU A 69 6.085 -1.056 -8.103 1.00 0.00 C ATOM 1051 O GLU A 69 7.286 -0.812 -8.218 1.00 0.00 O ATOM 1052 CB GLU A 69 4.592 -1.351 -10.108 1.00 0.00 C ATOM 1053 CG GLU A 69 4.168 -2.360 -11.181 1.00 0.00 C ATOM 1054 CD GLU A 69 3.342 -1.667 -12.261 1.00 0.00 C ATOM 1055 OE1 GLU A 69 2.960 -0.528 -12.048 1.00 0.00 O ATOM 1056 OE2 GLU A 69 3.098 -2.289 -13.282 1.00 0.00 O ATOM 0 H GLU A 69 3.585 -3.011 -8.610 1.00 0.00 H new ATOM 0 HA GLU A 69 6.225 -2.635 -9.506 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.713 -0.891 -9.657 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.177 -0.548 -10.557 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.050 -2.820 -11.627 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.586 -3.162 -10.727 1.00 0.00 H new ATOM 1063 N THR A 70 5.326 -0.465 -7.177 1.00 0.00 N ATOM 1064 CA THR A 70 5.906 0.511 -6.249 1.00 0.00 C ATOM 1065 C THR A 70 7.007 -0.140 -5.437 1.00 0.00 C ATOM 1066 O THR A 70 8.101 0.399 -5.270 1.00 0.00 O ATOM 1067 CB THR A 70 4.839 1.055 -5.312 1.00 0.00 C ATOM 1068 OG1 THR A 70 3.830 1.712 -6.067 1.00 0.00 O ATOM 1069 CG2 THR A 70 5.474 2.034 -4.324 1.00 0.00 C ATOM 0 H THR A 70 4.329 -0.639 -7.050 1.00 0.00 H new ATOM 0 HA THR A 70 6.320 1.335 -6.829 1.00 0.00 H new ATOM 0 HB THR A 70 4.389 0.231 -4.758 1.00 0.00 H new ATOM 0 HG1 THR A 70 3.264 1.044 -6.507 1.00 0.00 H new ATOM 0 HG21 THR A 70 4.708 2.423 -3.653 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.238 1.519 -3.742 1.00 0.00 H new ATOM 0 HG23 THR A 70 5.930 2.859 -4.871 1.00 0.00 H new ATOM 1077 N TRP A 71 6.675 -1.313 -4.933 1.00 0.00 N ATOM 1078 CA TRP A 71 7.581 -2.093 -4.119 1.00 0.00 C ATOM 1079 C TRP A 71 8.846 -2.399 -4.915 1.00 0.00 C ATOM 1080 O TRP A 71 9.945 -2.364 -4.362 1.00 0.00 O ATOM 1081 CB TRP A 71 6.806 -3.339 -3.676 1.00 0.00 C ATOM 1082 CG TRP A 71 7.573 -4.196 -2.708 1.00 0.00 C ATOM 1083 CD1 TRP A 71 7.792 -5.520 -2.879 1.00 0.00 C ATOM 1084 CD2 TRP A 71 8.175 -3.849 -1.412 1.00 0.00 C ATOM 1085 NE1 TRP A 71 8.522 -6.000 -1.808 1.00 0.00 N ATOM 1086 CE2 TRP A 71 8.781 -5.015 -0.879 1.00 0.00 C ATOM 1087 CE3 TRP A 71 8.274 -2.658 -0.657 1.00 0.00 C ATOM 1088 CZ2 TRP A 71 9.452 -5.004 0.345 1.00 0.00 C ATOM 1089 CZ3 TRP A 71 8.947 -2.648 0.579 1.00 0.00 C ATOM 1090 CH2 TRP A 71 9.536 -3.817 1.076 1.00 0.00 C ATOM 0 H TRP A 71 5.766 -1.751 -5.078 1.00 0.00 H new ATOM 0 HA TRP A 71 7.920 -1.563 -3.229 1.00 0.00 H new ATOM 0 HB2 TRP A 71 5.867 -3.031 -3.215 1.00 0.00 H new ATOM 0 HB3 TRP A 71 6.551 -3.932 -4.554 1.00 0.00 H new ATOM 0 HD1 TRP A 71 7.451 -6.108 -3.718 1.00 0.00 H new ATOM 0 HE1 TRP A 71 8.832 -6.967 -1.716 1.00 0.00 H new ATOM 0 HE3 TRP A 71 7.829 -1.748 -1.032 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 9.904 -5.909 0.725 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 9.010 -1.732 1.148 1.00 0.00 H new ATOM 0 HH2 TRP A 71 10.055 -3.801 2.023 1.00 0.00 H new ATOM 1101 N GLU A 72 8.710 -2.704 -6.201 1.00 0.00 N ATOM 1102 CA GLU A 72 9.870 -3.019 -7.040 1.00 0.00 C ATOM 1103 C GLU A 72 10.668 -1.763 -7.409 1.00 0.00 C ATOM 1104 O GLU A 72 11.811 -1.885 -7.848 1.00 0.00 O ATOM 1105 CB GLU A 72 9.445 -3.766 -8.307 1.00 0.00 C ATOM 1106 CG GLU A 72 8.931 -5.157 -7.928 1.00 0.00 C ATOM 1107 CD GLU A 72 10.083 -6.033 -7.447 1.00 0.00 C ATOM 1108 OE1 GLU A 72 11.218 -5.714 -7.760 1.00 0.00 O ATOM 1109 OE2 GLU A 72 9.812 -7.009 -6.766 1.00 0.00 O ATOM 0 H GLU A 72 7.814 -2.741 -6.687 1.00 0.00 H new ATOM 0 HA GLU A 72 10.520 -3.667 -6.452 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.667 -3.208 -8.828 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.288 -3.852 -8.992 1.00 0.00 H new ATOM 0 HG2 GLU A 72 8.177 -5.073 -7.145 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.447 -5.620 -8.788 1.00 0.00 H new ATOM 1116 N SER A 73 10.091 -0.556 -7.259 1.00 0.00 N ATOM 1117 CA SER A 73 10.821 0.676 -7.623 1.00 0.00 C ATOM 1118 C SER A 73 11.251 1.448 -6.378 1.00 0.00 C ATOM 1119 O SER A 73 11.416 2.667 -6.417 1.00 0.00 O ATOM 1120 CB SER A 73 9.944 1.565 -8.509 1.00 0.00 C ATOM 1121 OG SER A 73 8.870 2.092 -7.743 1.00 0.00 O ATOM 0 H SER A 73 9.148 -0.407 -6.899 1.00 0.00 H new ATOM 0 HA SER A 73 11.716 0.388 -8.174 1.00 0.00 H new ATOM 0 HB2 SER A 73 10.538 2.377 -8.927 1.00 0.00 H new ATOM 0 HB3 SER A 73 9.556 0.989 -9.349 1.00 0.00 H new ATOM 0 HG SER A 73 8.699 1.509 -6.974 1.00 0.00 H new ATOM 1127 N ALA A 74 11.364 0.737 -5.263 1.00 0.00 N ATOM 1128 CA ALA A 74 11.696 1.333 -3.973 1.00 0.00 C ATOM 1129 C ALA A 74 12.972 2.181 -3.938 1.00 0.00 C ATOM 1130 O ALA A 74 13.009 3.219 -3.291 1.00 0.00 O ATOM 1131 CB ALA A 74 11.859 0.207 -2.951 1.00 0.00 C ATOM 0 H ALA A 74 11.228 -0.273 -5.227 1.00 0.00 H new ATOM 0 HA ALA A 74 10.875 2.015 -3.751 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.108 0.632 -1.978 1.00 0.00 H new ATOM 0 HB2 ALA A 74 10.927 -0.353 -2.875 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.659 -0.461 -3.270 1.00 0.00 H new ATOM 1137 N ASP A 75 14.013 1.740 -4.625 1.00 0.00 N ATOM 1138 CA ASP A 75 15.281 2.476 -4.626 1.00 0.00 C ATOM 1139 C ASP A 75 15.122 3.897 -5.175 1.00 0.00 C ATOM 1140 O ASP A 75 15.958 4.762 -4.915 1.00 0.00 O ATOM 1141 CB ASP A 75 16.317 1.728 -5.469 1.00 0.00 C ATOM 1142 CG ASP A 75 17.691 2.369 -5.302 1.00 0.00 C ATOM 1143 OD1 ASP A 75 17.790 3.329 -4.555 1.00 0.00 O ATOM 1144 OD2 ASP A 75 18.625 1.893 -5.927 1.00 0.00 O ATOM 0 H ASP A 75 14.013 0.887 -5.185 1.00 0.00 H new ATOM 0 HA ASP A 75 15.614 2.548 -3.591 1.00 0.00 H new ATOM 0 HB2 ASP A 75 16.356 0.682 -5.167 1.00 0.00 H new ATOM 0 HB3 ASP A 75 16.024 1.746 -6.519 1.00 0.00 H new ATOM 1149 N ASP A 76 14.069 4.134 -5.948 1.00 0.00 N ATOM 1150 CA ASP A 76 13.842 5.454 -6.545 1.00 0.00 C ATOM 1151 C ASP A 76 12.955 6.366 -5.685 1.00 0.00 C ATOM 1152 O ASP A 76 13.273 7.543 -5.519 1.00 0.00 O ATOM 1153 CB ASP A 76 13.207 5.280 -7.924 1.00 0.00 C ATOM 1154 CG ASP A 76 13.130 6.627 -8.633 1.00 0.00 C ATOM 1155 OD1 ASP A 76 13.489 7.618 -8.019 1.00 0.00 O ATOM 1156 OD2 ASP A 76 12.720 6.647 -9.782 1.00 0.00 O ATOM 0 H ASP A 76 13.360 3.437 -6.178 1.00 0.00 H new ATOM 0 HA ASP A 76 14.814 5.941 -6.620 1.00 0.00 H new ATOM 0 HB2 ASP A 76 13.794 4.579 -8.518 1.00 0.00 H new ATOM 0 HB3 ASP A 76 12.209 4.855 -7.823 1.00 0.00 H new ATOM 1161 N TRP A 77 11.835 5.861 -5.170 1.00 0.00 N ATOM 1162 CA TRP A 77 10.937 6.718 -4.375 1.00 0.00 C ATOM 1163 C TRP A 77 11.251 6.705 -2.878 1.00 0.00 C ATOM 1164 O TRP A 77 10.890 7.644 -2.172 1.00 0.00 O ATOM 1165 CB TRP A 77 9.469 6.321 -4.589 1.00 0.00 C ATOM 1166 CG TRP A 77 9.138 5.060 -3.830 1.00 0.00 C ATOM 1167 CD1 TRP A 77 9.060 3.811 -4.374 1.00 0.00 C ATOM 1168 CD2 TRP A 77 8.842 4.893 -2.394 1.00 0.00 C ATOM 1169 NE1 TRP A 77 8.722 2.912 -3.384 1.00 0.00 N ATOM 1170 CE2 TRP A 77 8.584 3.518 -2.156 1.00 0.00 C ATOM 1171 CE3 TRP A 77 8.765 5.775 -1.275 1.00 0.00 C ATOM 1172 CZ2 TRP A 77 8.268 3.040 -0.888 1.00 0.00 C ATOM 1173 CZ3 TRP A 77 8.449 5.280 -0.009 1.00 0.00 C ATOM 1174 CH2 TRP A 77 8.201 3.924 0.184 1.00 0.00 C ATOM 0 H TRP A 77 11.528 4.894 -5.280 1.00 0.00 H new ATOM 0 HA TRP A 77 11.106 7.733 -4.734 1.00 0.00 H new ATOM 0 HB2 TRP A 77 8.817 7.130 -4.260 1.00 0.00 H new ATOM 0 HB3 TRP A 77 9.279 6.171 -5.652 1.00 0.00 H new ATOM 0 HD1 TRP A 77 9.235 3.566 -5.411 1.00 0.00 H new ATOM 0 HE1 TRP A 77 8.590 1.913 -3.544 1.00 0.00 H new ATOM 0 HE3 TRP A 77 8.952 6.830 -1.408 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 8.076 1.988 -0.737 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 8.396 5.957 0.831 1.00 0.00 H new ATOM 0 HH2 TRP A 77 7.956 3.557 1.170 1.00 0.00 H new ATOM 1185 N PHE A 78 11.947 5.682 -2.390 1.00 0.00 N ATOM 1186 CA PHE A 78 12.285 5.641 -0.962 1.00 0.00 C ATOM 1187 C PHE A 78 13.585 6.382 -0.698 1.00 0.00 C ATOM 1188 O PHE A 78 14.615 6.104 -1.312 1.00 0.00 O ATOM 1189 CB PHE A 78 12.368 4.198 -0.453 1.00 0.00 C ATOM 1190 CG PHE A 78 12.964 4.179 0.942 1.00 0.00 C ATOM 1191 CD1 PHE A 78 12.139 4.305 2.067 1.00 0.00 C ATOM 1192 CD2 PHE A 78 14.354 4.059 1.104 1.00 0.00 C ATOM 1193 CE1 PHE A 78 12.703 4.301 3.347 1.00 0.00 C ATOM 1194 CE2 PHE A 78 14.912 4.053 2.384 1.00 0.00 C ATOM 1195 CZ PHE A 78 14.087 4.173 3.507 1.00 0.00 C ATOM 0 H PHE A 78 12.282 4.890 -2.939 1.00 0.00 H new ATOM 0 HA PHE A 78 11.487 6.141 -0.414 1.00 0.00 H new ATOM 0 HB2 PHE A 78 11.375 3.749 -0.440 1.00 0.00 H new ATOM 0 HB3 PHE A 78 12.980 3.599 -1.128 1.00 0.00 H new ATOM 0 HD1 PHE A 78 11.070 4.405 1.946 1.00 0.00 H new ATOM 0 HD2 PHE A 78 14.992 3.971 0.237 1.00 0.00 H new ATOM 0 HE1 PHE A 78 12.068 4.397 4.215 1.00 0.00 H new ATOM 0 HE2 PHE A 78 15.981 3.956 2.507 1.00 0.00 H new ATOM 0 HZ PHE A 78 14.518 4.167 4.497 1.00 0.00 H new ATOM 1205 N VAL A 79 13.514 7.343 0.215 1.00 0.00 N ATOM 1206 CA VAL A 79 14.657 8.172 0.585 1.00 0.00 C ATOM 1207 C VAL A 79 14.894 8.045 2.092 1.00 0.00 C ATOM 1208 O VAL A 79 13.935 8.062 2.863 1.00 0.00 O ATOM 1209 CB VAL A 79 14.332 9.628 0.196 1.00 0.00 C ATOM 1210 CG1 VAL A 79 12.861 9.928 0.513 1.00 0.00 C ATOM 1211 CG2 VAL A 79 15.227 10.605 0.969 1.00 0.00 C ATOM 0 H VAL A 79 12.659 7.571 0.722 1.00 0.00 H new ATOM 0 HA VAL A 79 15.563 7.855 0.068 1.00 0.00 H new ATOM 0 HB VAL A 79 14.514 9.752 -0.871 1.00 0.00 H new ATOM 0 HG11 VAL A 79 12.632 10.958 0.238 1.00 0.00 H new ATOM 0 HG12 VAL A 79 12.221 9.250 -0.053 1.00 0.00 H new ATOM 0 HG13 VAL A 79 12.683 9.789 1.579 1.00 0.00 H new ATOM 0 HG21 VAL A 79 14.983 11.628 0.681 1.00 0.00 H new ATOM 0 HG22 VAL A 79 15.062 10.480 2.039 1.00 0.00 H new ATOM 0 HG23 VAL A 79 16.272 10.402 0.737 1.00 0.00 H new