USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 526 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 48 MET CE :methyl 154:sc= -0.205 (180deg=-2.05) USER MOD Set 1.2: A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -165:sc= 0 (180deg=-0.0908) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.0558 K(o=-0.056,f=-1.3) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0.00706 USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 MET CE :methyl 140:sc= -1.4 (180deg=-1.89!) USER MOD Single : A 34 THR OG1 : rot 75:sc= 1.26 USER MOD Single : A 35 ASN : amide:sc= 0 K(o=0,f=-2!) USER MOD Single : A 39 LYS NZ :NH3+ -154:sc= 0.334 (180deg=0.0919) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.16 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0.082) USER MOD Single : A 61 ASN : amide:sc= -1.6 K(o=-1.6,f=-5.9!) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.539 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 MET CE :methyl -150:sc= -0.11 (180deg=-0.898) USER MOD Single : A 70 THR OG1 : rot 95:sc= 1.27 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.980 -1.382 6.051 1.00 44.11 N ATOM 2 CA MET A 1 2.460 -0.700 4.871 1.00 31.25 C ATOM 3 C MET A 1 3.249 -1.090 3.626 1.00 70.24 C ATOM 4 O MET A 1 2.698 -1.662 2.684 1.00 4.44 O ATOM 5 CB MET A 1 2.512 0.816 5.068 1.00 15.12 C ATOM 6 CG MET A 1 1.458 1.340 6.031 1.00 44.21 C ATOM 7 SD MET A 1 -0.045 1.875 5.192 1.00 51.24 S ATOM 8 CE MET A 1 -1.174 0.563 5.650 1.00 32.51 C ATOM 0 H1 MET A 1 2.291 -1.309 6.826 1.00 44.11 H new ATOM 0 H2 MET A 1 3.145 -2.384 5.828 1.00 44.11 H new ATOM 0 H3 MET A 1 3.875 -0.940 6.341 1.00 44.11 H new ATOM 0 HA MET A 1 1.423 -1.006 4.733 1.00 31.25 H new ATOM 0 HB2 MET A 1 3.500 1.093 5.437 1.00 15.12 H new ATOM 0 HB3 MET A 1 2.385 1.304 4.102 1.00 15.12 H new ATOM 0 HG2 MET A 1 1.210 0.560 6.751 1.00 44.21 H new ATOM 0 HG3 MET A 1 1.871 2.176 6.596 1.00 44.21 H new ATOM 0 HE1 MET A 1 -2.151 0.752 5.205 1.00 32.51 H new ATOM 0 HE2 MET A 1 -0.789 -0.391 5.289 1.00 32.51 H new ATOM 0 HE3 MET A 1 -1.270 0.528 6.735 1.00 32.51 H new ATOM 18 N ASP A 2 4.540 -0.778 3.627 1.00 41.43 N ATOM 19 CA ASP A 2 5.405 -1.096 2.497 1.00 71.24 C ATOM 20 C ASP A 2 5.684 -2.595 2.431 1.00 12.52 C ATOM 21 O ASP A 2 6.387 -3.144 3.280 1.00 71.32 O ATOM 22 CB ASP A 2 6.721 -0.324 2.600 1.00 10.14 C ATOM 23 CG ASP A 2 6.589 1.111 2.129 1.00 11.02 C ATOM 24 OD1 ASP A 2 6.060 1.325 1.018 1.00 21.30 O ATOM 25 OD2 ASP A 2 7.014 2.020 2.872 1.00 14.40 O ATOM 0 H ASP A 2 5.011 -0.305 4.398 1.00 41.43 H new ATOM 0 HA ASP A 2 4.890 -0.799 1.583 1.00 71.24 H new ATOM 0 HB2 ASP A 2 7.064 -0.334 3.634 1.00 10.14 H new ATOM 0 HB3 ASP A 2 7.483 -0.829 2.006 1.00 10.14 H new ATOM 30 N THR A 3 5.127 -3.251 1.418 1.00 20.53 N ATOM 31 CA THR A 3 5.314 -4.686 1.243 1.00 35.32 C ATOM 32 C THR A 3 5.095 -5.096 -0.209 1.00 13.13 C ATOM 33 O THR A 3 4.108 -4.704 -0.832 1.00 61.23 O ATOM 34 CB THR A 3 4.356 -5.491 2.142 1.00 73.13 C ATOM 35 OG1 THR A 3 3.247 -4.673 2.533 1.00 63.23 O ATOM 36 CG2 THR A 3 5.077 -6.003 3.380 1.00 53.52 C ATOM 0 H THR A 3 4.543 -2.812 0.707 1.00 20.53 H new ATOM 0 HA THR A 3 6.342 -4.908 1.529 1.00 35.32 H new ATOM 0 HB THR A 3 3.993 -6.347 1.573 1.00 73.13 H new ATOM 0 HG1 THR A 3 2.642 -5.193 3.103 1.00 63.23 H new ATOM 0 HG21 THR A 3 4.380 -6.568 3.999 1.00 53.52 H new ATOM 0 HG22 THR A 3 5.902 -6.649 3.080 1.00 53.52 H new ATOM 0 HG23 THR A 3 5.466 -5.159 3.950 1.00 53.52 H new ATOM 44 N ASP A 4 6.020 -5.886 -0.741 1.00 60.52 N ATOM 45 CA ASP A 4 5.927 -6.351 -2.120 1.00 60.14 C ATOM 46 C ASP A 4 6.694 -7.656 -2.307 1.00 21.50 C ATOM 47 O ASP A 4 7.482 -8.053 -1.448 1.00 75.51 O ATOM 48 CB ASP A 4 6.467 -5.287 -3.077 1.00 54.21 C ATOM 49 CG ASP A 4 5.398 -4.302 -3.510 1.00 22.12 C ATOM 50 OD1 ASP A 4 4.421 -4.734 -4.156 1.00 13.33 O ATOM 51 OD2 ASP A 4 5.540 -3.100 -3.203 1.00 50.53 O ATOM 0 H ASP A 4 6.843 -6.218 -0.239 1.00 60.52 H new ATOM 0 HA ASP A 4 4.876 -6.533 -2.346 1.00 60.14 H new ATOM 0 HB2 ASP A 4 7.281 -4.746 -2.593 1.00 54.21 H new ATOM 0 HB3 ASP A 4 6.887 -5.774 -3.957 1.00 54.21 H new ATOM 56 N SER A 5 6.458 -8.320 -3.434 1.00 52.12 N ATOM 57 CA SER A 5 7.123 -9.583 -3.731 1.00 73.24 C ATOM 58 C SER A 5 8.420 -9.347 -4.500 1.00 34.05 C ATOM 59 O SER A 5 8.423 -8.705 -5.549 1.00 50.30 O ATOM 60 CB SER A 5 6.196 -10.494 -4.540 1.00 4.41 C ATOM 61 OG SER A 5 4.918 -10.588 -3.935 1.00 4.50 O ATOM 0 H SER A 5 5.811 -8.004 -4.157 1.00 52.12 H new ATOM 0 HA SER A 5 7.365 -10.069 -2.786 1.00 73.24 H new ATOM 0 HB2 SER A 5 6.094 -10.107 -5.554 1.00 4.41 H new ATOM 0 HB3 SER A 5 6.637 -11.487 -4.621 1.00 4.41 H new ATOM 0 HG SER A 5 4.344 -11.174 -4.472 1.00 4.50 H new ATOM 67 N GLU A 6 9.519 -9.872 -3.967 1.00 42.55 N ATOM 68 CA GLU A 6 10.823 -9.717 -4.602 1.00 72.13 C ATOM 69 C GLU A 6 11.780 -10.817 -4.154 1.00 23.34 C ATOM 70 O GLU A 6 12.382 -11.504 -4.978 1.00 44.13 O ATOM 71 CB GLU A 6 11.415 -8.345 -4.274 1.00 23.10 C ATOM 72 CG GLU A 6 12.514 -7.912 -5.230 1.00 23.23 C ATOM 73 CD GLU A 6 11.989 -7.593 -6.616 1.00 65.42 C ATOM 74 OE1 GLU A 6 10.920 -6.956 -6.715 1.00 4.15 O ATOM 75 OE2 GLU A 6 12.649 -7.982 -7.603 1.00 51.12 O ATOM 0 H GLU A 6 9.533 -10.407 -3.099 1.00 42.55 H new ATOM 0 HA GLU A 6 10.685 -9.796 -5.680 1.00 72.13 H new ATOM 0 HB2 GLU A 6 10.618 -7.602 -4.289 1.00 23.10 H new ATOM 0 HB3 GLU A 6 11.814 -8.364 -3.260 1.00 23.10 H new ATOM 0 HG2 GLU A 6 13.017 -7.034 -4.825 1.00 23.23 H new ATOM 0 HG3 GLU A 6 13.261 -8.703 -5.301 1.00 23.23 H new ATOM 82 N GLU A 7 11.915 -10.977 -2.841 1.00 20.42 N ATOM 83 CA GLU A 7 12.800 -11.993 -2.283 1.00 2.03 C ATOM 84 C GLU A 7 12.249 -13.393 -2.535 1.00 61.43 C ATOM 85 O GLU A 7 13.007 -14.350 -2.694 1.00 12.21 O ATOM 86 CB GLU A 7 12.986 -11.769 -0.780 1.00 60.44 C ATOM 87 CG GLU A 7 11.678 -11.661 -0.015 1.00 1.12 C ATOM 88 CD GLU A 7 11.879 -11.672 1.488 1.00 21.11 C ATOM 89 OE1 GLU A 7 12.291 -10.629 2.039 1.00 74.33 O ATOM 90 OE2 GLU A 7 11.626 -12.723 2.113 1.00 14.34 O ATOM 0 H GLU A 7 11.423 -10.417 -2.145 1.00 20.42 H new ATOM 0 HA GLU A 7 13.767 -11.908 -2.779 1.00 2.03 H new ATOM 0 HB2 GLU A 7 13.571 -12.591 -0.368 1.00 60.44 H new ATOM 0 HB3 GLU A 7 13.564 -10.858 -0.626 1.00 60.44 H new ATOM 0 HG2 GLU A 7 11.168 -10.742 -0.303 1.00 1.12 H new ATOM 0 HG3 GLU A 7 11.027 -12.489 -0.297 1.00 1.12 H new ATOM 97 N GLU A 8 10.925 -13.504 -2.570 1.00 72.43 N ATOM 98 CA GLU A 8 10.272 -14.788 -2.802 1.00 44.20 C ATOM 99 C GLU A 8 10.619 -15.333 -4.185 1.00 3.34 C ATOM 100 O GLU A 8 10.424 -16.516 -4.464 1.00 21.04 O ATOM 101 CB GLU A 8 8.755 -14.646 -2.664 1.00 22.14 C ATOM 102 CG GLU A 8 8.129 -13.749 -3.718 1.00 32.10 C ATOM 103 CD GLU A 8 7.050 -14.454 -4.517 1.00 41.24 C ATOM 104 OE1 GLU A 8 7.353 -15.496 -5.135 1.00 5.13 O ATOM 105 OE2 GLU A 8 5.902 -13.962 -4.525 1.00 71.41 O ATOM 0 H GLU A 8 10.284 -12.721 -2.441 1.00 72.43 H new ATOM 0 HA GLU A 8 10.634 -15.491 -2.052 1.00 44.20 H new ATOM 0 HB2 GLU A 8 8.299 -15.634 -2.723 1.00 22.14 H new ATOM 0 HB3 GLU A 8 8.524 -14.247 -1.676 1.00 22.14 H new ATOM 0 HG2 GLU A 8 7.702 -12.870 -3.235 1.00 32.10 H new ATOM 0 HG3 GLU A 8 8.905 -13.395 -4.396 1.00 32.10 H new ATOM 112 N ILE A 9 11.134 -14.461 -5.045 1.00 73.15 N ATOM 113 CA ILE A 9 11.508 -14.854 -6.398 1.00 62.41 C ATOM 114 C ILE A 9 12.845 -15.588 -6.407 1.00 72.41 C ATOM 115 O ILE A 9 13.052 -16.512 -7.194 1.00 40.03 O ATOM 116 CB ILE A 9 11.599 -13.635 -7.334 1.00 53.13 C ATOM 117 CG1 ILE A 9 10.255 -12.906 -7.389 1.00 13.40 C ATOM 118 CG2 ILE A 9 12.030 -14.068 -8.728 1.00 13.43 C ATOM 119 CD1 ILE A 9 10.307 -11.599 -8.149 1.00 12.20 C ATOM 0 H ILE A 9 11.302 -13.478 -4.829 1.00 73.15 H new ATOM 0 HA ILE A 9 10.726 -15.522 -6.760 1.00 62.41 H new ATOM 0 HB ILE A 9 12.348 -12.948 -6.940 1.00 53.13 H new ATOM 0 HG12 ILE A 9 9.516 -13.558 -7.854 1.00 13.40 H new ATOM 0 HG13 ILE A 9 9.914 -12.712 -6.372 1.00 13.40 H new ATOM 0 HG21 ILE A 9 12.090 -13.195 -9.378 1.00 13.43 H new ATOM 0 HG22 ILE A 9 13.007 -14.548 -8.674 1.00 13.43 H new ATOM 0 HG23 ILE A 9 11.302 -14.772 -9.132 1.00 13.43 H new ATOM 0 HD11 ILE A 9 9.320 -11.137 -8.147 1.00 12.20 H new ATOM 0 HD12 ILE A 9 11.022 -10.929 -7.672 1.00 12.20 H new ATOM 0 HD13 ILE A 9 10.617 -11.788 -9.177 1.00 12.20 H new ATOM 131 N ARG A 10 13.748 -15.172 -5.525 1.00 70.45 N ATOM 132 CA ARG A 10 15.065 -15.791 -5.431 1.00 51.32 C ATOM 133 C ARG A 10 14.947 -17.267 -5.063 1.00 44.22 C ATOM 134 O ARG A 10 15.720 -18.098 -5.539 1.00 40.11 O ATOM 135 CB ARG A 10 15.921 -15.062 -4.394 1.00 11.13 C ATOM 136 CG ARG A 10 17.210 -15.790 -4.048 1.00 15.24 C ATOM 137 CD ARG A 10 17.059 -16.618 -2.781 1.00 53.20 C ATOM 138 NE ARG A 10 18.351 -16.949 -2.187 1.00 31.52 N ATOM 139 CZ ARG A 10 19.068 -16.096 -1.464 1.00 61.31 C ATOM 140 NH1 ARG A 10 18.621 -14.867 -1.247 1.00 61.01 N ATOM 141 NH2 ARG A 10 20.235 -16.472 -0.956 1.00 70.34 N ATOM 0 H ARG A 10 13.592 -14.409 -4.866 1.00 70.45 H new ATOM 0 HA ARG A 10 15.545 -15.715 -6.407 1.00 51.32 H new ATOM 0 HB2 ARG A 10 16.165 -14.068 -4.770 1.00 11.13 H new ATOM 0 HB3 ARG A 10 15.336 -14.924 -3.485 1.00 11.13 H new ATOM 0 HG2 ARG A 10 17.496 -16.439 -4.876 1.00 15.24 H new ATOM 0 HG3 ARG A 10 18.014 -15.066 -3.917 1.00 15.24 H new ATOM 0 HD2 ARG A 10 16.458 -16.067 -2.058 1.00 53.20 H new ATOM 0 HD3 ARG A 10 16.519 -17.537 -3.010 1.00 53.20 H new ATOM 0 HE ARG A 10 18.724 -17.887 -2.335 1.00 31.52 H new ATOM 0 HH11 ARG A 10 17.724 -14.574 -1.636 1.00 61.01 H new ATOM 0 HH12 ARG A 10 19.174 -14.214 -0.691 1.00 61.01 H new ATOM 0 HH21 ARG A 10 20.582 -17.417 -1.121 1.00 70.34 H new ATOM 0 HH22 ARG A 10 20.785 -15.816 -0.401 1.00 70.34 H new ATOM 155 N GLU A 11 13.976 -17.584 -4.213 1.00 0.02 N ATOM 156 CA GLU A 11 13.759 -18.960 -3.780 1.00 41.45 C ATOM 157 C GLU A 11 12.819 -19.689 -4.736 1.00 41.43 C ATOM 158 O GLU A 11 12.948 -20.893 -4.953 1.00 24.14 O ATOM 159 CB GLU A 11 13.185 -18.987 -2.363 1.00 34.54 C ATOM 160 CG GLU A 11 14.138 -18.448 -1.309 1.00 74.40 C ATOM 161 CD GLU A 11 14.844 -19.550 -0.543 1.00 0.00 C ATOM 162 OE1 GLU A 11 14.294 -20.006 0.482 1.00 42.34 O ATOM 163 OE2 GLU A 11 15.946 -19.956 -0.967 1.00 51.03 O ATOM 0 H GLU A 11 13.327 -16.908 -3.811 1.00 0.02 H new ATOM 0 HA GLU A 11 14.721 -19.472 -3.784 1.00 41.45 H new ATOM 0 HB2 GLU A 11 12.265 -18.403 -2.342 1.00 34.54 H new ATOM 0 HB3 GLU A 11 12.917 -20.012 -2.108 1.00 34.54 H new ATOM 0 HG2 GLU A 11 14.881 -17.810 -1.788 1.00 74.40 H new ATOM 0 HG3 GLU A 11 13.584 -17.822 -0.610 1.00 74.40 H new ATOM 170 N ALA A 12 11.873 -18.949 -5.305 1.00 52.20 N ATOM 171 CA ALA A 12 10.912 -19.523 -6.238 1.00 72.34 C ATOM 172 C ALA A 12 11.562 -19.813 -7.587 1.00 23.32 C ATOM 173 O ALA A 12 11.060 -20.621 -8.368 1.00 64.45 O ATOM 174 CB ALA A 12 9.723 -18.590 -6.414 1.00 2.35 C ATOM 0 H ALA A 12 11.752 -17.950 -5.136 1.00 52.20 H new ATOM 0 HA ALA A 12 10.560 -20.467 -5.822 1.00 72.34 H new ATOM 0 HB1 ALA A 12 9.014 -19.032 -7.114 1.00 2.35 H new ATOM 0 HB2 ALA A 12 9.235 -18.437 -5.451 1.00 2.35 H new ATOM 0 HB3 ALA A 12 10.067 -17.632 -6.803 1.00 2.35 H new ATOM 180 N PHE A 13 12.682 -19.148 -7.854 1.00 35.42 N ATOM 181 CA PHE A 13 13.400 -19.334 -9.109 1.00 51.23 C ATOM 182 C PHE A 13 14.503 -20.377 -8.956 1.00 32.11 C ATOM 183 O PHE A 13 14.986 -20.934 -9.941 1.00 65.05 O ATOM 184 CB PHE A 13 13.999 -18.007 -9.579 1.00 43.22 C ATOM 185 CG PHE A 13 14.323 -17.981 -11.046 1.00 32.13 C ATOM 186 CD1 PHE A 13 13.384 -18.382 -11.983 1.00 11.52 C ATOM 187 CD2 PHE A 13 15.565 -17.556 -11.487 1.00 43.02 C ATOM 188 CE1 PHE A 13 13.679 -18.360 -13.333 1.00 4.43 C ATOM 189 CE2 PHE A 13 15.866 -17.531 -12.836 1.00 64.41 C ATOM 190 CZ PHE A 13 14.922 -17.933 -13.760 1.00 13.20 C ATOM 0 H PHE A 13 13.111 -18.476 -7.218 1.00 35.42 H new ATOM 0 HA PHE A 13 12.690 -19.689 -9.856 1.00 51.23 H new ATOM 0 HB2 PHE A 13 13.299 -17.202 -9.356 1.00 43.22 H new ATOM 0 HB3 PHE A 13 14.907 -17.806 -9.011 1.00 43.22 H new ATOM 0 HD1 PHE A 13 12.411 -18.715 -11.655 1.00 11.52 H new ATOM 0 HD2 PHE A 13 16.307 -17.240 -10.769 1.00 43.02 H new ATOM 0 HE1 PHE A 13 12.939 -18.676 -14.053 1.00 4.43 H new ATOM 0 HE2 PHE A 13 16.838 -17.197 -13.167 1.00 64.41 H new ATOM 0 HZ PHE A 13 15.155 -17.914 -14.814 1.00 13.20 H new ATOM 200 N ARG A 14 14.896 -20.636 -7.713 1.00 13.41 N ATOM 201 CA ARG A 14 15.942 -21.610 -7.430 1.00 5.05 C ATOM 202 C ARG A 14 15.366 -23.021 -7.353 1.00 12.43 C ATOM 203 O ARG A 14 16.011 -23.989 -7.754 1.00 71.23 O ATOM 204 CB ARG A 14 16.649 -21.264 -6.118 1.00 21.25 C ATOM 205 CG ARG A 14 18.105 -21.698 -6.077 1.00 43.24 C ATOM 206 CD ARG A 14 18.436 -22.420 -4.781 1.00 1.24 C ATOM 207 NE ARG A 14 19.698 -23.150 -4.867 1.00 72.12 N ATOM 208 CZ ARG A 14 20.312 -23.683 -3.817 1.00 31.31 C ATOM 209 NH1 ARG A 14 19.783 -23.568 -2.607 1.00 31.44 N ATOM 210 NH2 ARG A 14 21.458 -24.333 -3.976 1.00 74.52 N ATOM 0 H ARG A 14 14.505 -20.184 -6.886 1.00 13.41 H new ATOM 0 HA ARG A 14 16.665 -21.576 -8.245 1.00 5.05 H new ATOM 0 HB2 ARG A 14 16.595 -20.187 -5.959 1.00 21.25 H new ATOM 0 HB3 ARG A 14 16.115 -21.735 -5.292 1.00 21.25 H new ATOM 0 HG2 ARG A 14 18.314 -22.353 -6.923 1.00 43.24 H new ATOM 0 HG3 ARG A 14 18.749 -20.825 -6.183 1.00 43.24 H new ATOM 0 HD2 ARG A 14 18.490 -21.697 -3.967 1.00 1.24 H new ATOM 0 HD3 ARG A 14 17.632 -23.114 -4.537 1.00 1.24 H new ATOM 0 HE ARG A 14 20.132 -23.256 -5.784 1.00 72.12 H new ATOM 0 HH11 ARG A 14 18.902 -23.069 -2.481 1.00 31.44 H new ATOM 0 HH12 ARG A 14 20.257 -23.978 -1.802 1.00 31.44 H new ATOM 0 HH21 ARG A 14 21.868 -24.424 -4.905 1.00 74.52 H new ATOM 0 HH22 ARG A 14 21.929 -24.742 -3.169 1.00 74.52 H new ATOM 224 N VAL A 15 14.147 -23.129 -6.834 1.00 11.45 N ATOM 225 CA VAL A 15 13.483 -24.420 -6.704 1.00 73.13 C ATOM 226 C VAL A 15 13.274 -25.070 -8.068 1.00 0.34 C ATOM 227 O VAL A 15 13.127 -26.288 -8.171 1.00 44.31 O ATOM 228 CB VAL A 15 12.120 -24.282 -6.000 1.00 20.45 C ATOM 229 CG1 VAL A 15 11.416 -25.629 -5.930 1.00 22.00 C ATOM 230 CG2 VAL A 15 12.297 -23.692 -4.609 1.00 2.21 C ATOM 0 H VAL A 15 13.599 -22.337 -6.497 1.00 11.45 H new ATOM 0 HA VAL A 15 14.134 -25.051 -6.099 1.00 73.13 H new ATOM 0 HB VAL A 15 11.497 -23.603 -6.582 1.00 20.45 H new ATOM 0 HG11 VAL A 15 10.455 -25.512 -5.429 1.00 22.00 H new ATOM 0 HG12 VAL A 15 11.256 -26.009 -6.939 1.00 22.00 H new ATOM 0 HG13 VAL A 15 12.032 -26.333 -5.371 1.00 22.00 H new ATOM 0 HG21 VAL A 15 11.324 -23.601 -4.126 1.00 2.21 H new ATOM 0 HG22 VAL A 15 12.937 -24.345 -4.016 1.00 2.21 H new ATOM 0 HG23 VAL A 15 12.756 -22.707 -4.687 1.00 2.21 H new ATOM 240 N PHE A 16 13.262 -24.249 -9.112 1.00 42.45 N ATOM 241 CA PHE A 16 13.071 -24.743 -10.471 1.00 40.10 C ATOM 242 C PHE A 16 14.332 -25.435 -10.980 1.00 71.04 C ATOM 243 O PHE A 16 14.268 -26.305 -11.850 1.00 14.44 O ATOM 244 CB PHE A 16 12.694 -23.592 -11.407 1.00 32.44 C ATOM 245 CG PHE A 16 11.293 -23.091 -11.205 1.00 55.31 C ATOM 246 CD1 PHE A 16 10.226 -23.974 -11.160 1.00 60.05 C ATOM 247 CD2 PHE A 16 11.042 -21.736 -11.061 1.00 12.41 C ATOM 248 CE1 PHE A 16 8.935 -23.516 -10.975 1.00 2.32 C ATOM 249 CE2 PHE A 16 9.753 -21.272 -10.875 1.00 4.45 C ATOM 250 CZ PHE A 16 8.699 -22.163 -10.833 1.00 13.53 C ATOM 0 H PHE A 16 13.382 -23.238 -9.044 1.00 42.45 H new ATOM 0 HA PHE A 16 12.259 -25.470 -10.456 1.00 40.10 H new ATOM 0 HB2 PHE A 16 13.391 -22.768 -11.256 1.00 32.44 H new ATOM 0 HB3 PHE A 16 12.808 -23.921 -12.440 1.00 32.44 H new ATOM 0 HD1 PHE A 16 10.405 -25.033 -11.271 1.00 60.05 H new ATOM 0 HD2 PHE A 16 11.862 -21.034 -11.094 1.00 12.41 H new ATOM 0 HE1 PHE A 16 8.112 -24.215 -10.942 1.00 2.32 H new ATOM 0 HE2 PHE A 16 9.571 -20.213 -10.763 1.00 4.45 H new ATOM 0 HZ PHE A 16 7.691 -21.802 -10.689 1.00 13.53 H new ATOM 260 N ASP A 17 15.477 -25.042 -10.433 1.00 70.35 N ATOM 261 CA ASP A 17 16.754 -25.624 -10.831 1.00 74.42 C ATOM 262 C ASP A 17 16.990 -26.953 -10.120 1.00 72.44 C ATOM 263 O ASP A 17 17.382 -26.985 -8.954 1.00 13.14 O ATOM 264 CB ASP A 17 17.897 -24.657 -10.523 1.00 45.15 C ATOM 265 CG ASP A 17 19.260 -25.300 -10.688 1.00 62.41 C ATOM 266 OD1 ASP A 17 19.582 -25.730 -11.816 1.00 54.21 O ATOM 267 OD2 ASP A 17 20.006 -25.374 -9.689 1.00 53.02 O ATOM 0 H ASP A 17 15.547 -24.323 -9.713 1.00 70.35 H new ATOM 0 HA ASP A 17 16.723 -25.807 -11.905 1.00 74.42 H new ATOM 0 HB2 ASP A 17 17.825 -23.792 -11.182 1.00 45.15 H new ATOM 0 HB3 ASP A 17 17.793 -24.290 -9.502 1.00 45.15 H new ATOM 272 N LYS A 18 16.748 -28.050 -10.831 1.00 51.30 N ATOM 273 CA LYS A 18 16.934 -29.382 -10.270 1.00 30.53 C ATOM 274 C LYS A 18 18.327 -29.916 -10.586 1.00 63.53 C ATOM 275 O LYS A 18 18.938 -30.607 -9.770 1.00 72.23 O ATOM 276 CB LYS A 18 15.873 -30.341 -10.815 1.00 52.32 C ATOM 277 CG LYS A 18 14.449 -29.866 -10.584 1.00 75.34 C ATOM 278 CD LYS A 18 13.454 -30.666 -11.409 1.00 32.34 C ATOM 279 CE LYS A 18 12.020 -30.276 -11.084 1.00 51.04 C ATOM 280 NZ LYS A 18 11.513 -29.216 -12.000 1.00 31.52 N ATOM 0 H LYS A 18 16.422 -28.042 -11.798 1.00 51.30 H new ATOM 0 HA LYS A 18 16.828 -29.310 -9.188 1.00 30.53 H new ATOM 0 HB2 LYS A 18 16.033 -30.477 -11.885 1.00 52.32 H new ATOM 0 HB3 LYS A 18 16.002 -31.317 -10.347 1.00 52.32 H new ATOM 0 HG2 LYS A 18 14.202 -29.956 -9.526 1.00 75.34 H new ATOM 0 HG3 LYS A 18 14.370 -28.810 -10.841 1.00 75.34 H new ATOM 0 HD2 LYS A 18 13.645 -30.503 -12.470 1.00 32.34 H new ATOM 0 HD3 LYS A 18 13.595 -31.730 -11.219 1.00 32.34 H new ATOM 0 HE2 LYS A 18 11.379 -31.155 -11.156 1.00 51.04 H new ATOM 0 HE3 LYS A 18 11.964 -29.924 -10.054 1.00 51.04 H new ATOM 0 HZ1 LYS A 18 10.533 -28.978 -11.746 1.00 31.52 H new ATOM 0 HZ2 LYS A 18 12.109 -28.368 -11.913 1.00 31.52 H new ATOM 0 HZ3 LYS A 18 11.543 -29.561 -12.981 1.00 31.52 H new ATOM 294 N ASP A 19 18.825 -29.591 -11.774 1.00 74.13 N ATOM 295 CA ASP A 19 20.147 -30.036 -12.197 1.00 64.14 C ATOM 296 C ASP A 19 21.198 -29.693 -11.146 1.00 21.31 C ATOM 297 O ASP A 19 22.107 -30.479 -10.883 1.00 21.44 O ATOM 298 CB ASP A 19 20.520 -29.397 -13.536 1.00 10.10 C ATOM 299 CG ASP A 19 19.742 -29.987 -14.696 1.00 12.33 C ATOM 300 OD1 ASP A 19 19.962 -31.174 -15.016 1.00 45.43 O ATOM 301 OD2 ASP A 19 18.912 -29.262 -15.282 1.00 54.23 O ATOM 0 H ASP A 19 18.332 -29.021 -12.461 1.00 74.13 H new ATOM 0 HA ASP A 19 20.117 -31.119 -12.316 1.00 64.14 H new ATOM 0 HB2 ASP A 19 20.335 -28.324 -13.487 1.00 10.10 H new ATOM 0 HB3 ASP A 19 21.587 -29.529 -13.714 1.00 10.10 H new ATOM 306 N GLY A 20 21.067 -28.513 -10.548 1.00 40.22 N ATOM 307 CA GLY A 20 22.013 -28.086 -9.533 1.00 74.04 C ATOM 308 C GLY A 20 23.117 -27.216 -10.099 1.00 42.14 C ATOM 309 O GLY A 20 24.244 -27.233 -9.606 1.00 60.02 O ATOM 0 H GLY A 20 20.323 -27.845 -10.748 1.00 40.22 H new ATOM 0 HA2 GLY A 20 21.483 -27.535 -8.756 1.00 74.04 H new ATOM 0 HA3 GLY A 20 22.453 -28.963 -9.059 1.00 74.04 H new ATOM 313 N ASN A 21 22.794 -26.454 -11.139 1.00 40.13 N ATOM 314 CA ASN A 21 23.769 -25.575 -11.775 1.00 13.43 C ATOM 315 C ASN A 21 23.402 -24.110 -11.559 1.00 13.52 C ATOM 316 O ASN A 21 24.267 -23.273 -11.306 1.00 2.33 O ATOM 317 CB ASN A 21 23.857 -25.874 -13.272 1.00 71.45 C ATOM 318 CG ASN A 21 23.947 -27.361 -13.560 1.00 41.32 C ATOM 319 OD1 ASN A 21 24.430 -28.136 -12.735 1.00 0.13 O ATOM 320 ND2 ASN A 21 23.481 -27.765 -14.736 1.00 44.34 N ATOM 0 H ASN A 21 21.865 -26.427 -11.559 1.00 40.13 H new ATOM 0 HA ASN A 21 24.741 -25.760 -11.317 1.00 13.43 H new ATOM 0 HB2 ASN A 21 22.982 -25.462 -13.774 1.00 71.45 H new ATOM 0 HB3 ASN A 21 24.730 -25.372 -13.689 1.00 71.45 H new ATOM 0 HD21 ASN A 21 23.515 -28.753 -14.986 1.00 44.34 H new ATOM 0 HD22 ASN A 21 23.089 -27.087 -15.389 1.00 44.34 H new ATOM 327 N GLY A 22 22.111 -23.807 -11.660 1.00 72.13 N ATOM 328 CA GLY A 22 21.651 -22.443 -11.473 1.00 25.30 C ATOM 329 C GLY A 22 21.150 -21.818 -12.760 1.00 23.42 C ATOM 330 O GLY A 22 21.124 -20.595 -12.895 1.00 12.23 O ATOM 0 H GLY A 22 21.375 -24.482 -11.868 1.00 72.13 H new ATOM 0 HA2 GLY A 22 20.852 -22.431 -10.732 1.00 25.30 H new ATOM 0 HA3 GLY A 22 22.466 -21.840 -11.073 1.00 25.30 H new ATOM 334 N TYR A 23 20.754 -22.659 -13.708 1.00 75.24 N ATOM 335 CA TYR A 23 20.255 -22.182 -14.993 1.00 32.22 C ATOM 336 C TYR A 23 19.045 -22.996 -15.444 1.00 4.42 C ATOM 337 O TYR A 23 19.123 -24.216 -15.589 1.00 45.21 O ATOM 338 CB TYR A 23 21.357 -22.257 -16.051 1.00 52.40 C ATOM 339 CG TYR A 23 22.586 -21.448 -15.703 1.00 51.42 C ATOM 340 CD1 TYR A 23 23.591 -21.983 -14.907 1.00 43.22 C ATOM 341 CD2 TYR A 23 22.742 -20.148 -16.169 1.00 74.25 C ATOM 342 CE1 TYR A 23 24.716 -21.247 -14.586 1.00 72.41 C ATOM 343 CE2 TYR A 23 23.863 -19.406 -15.855 1.00 3.03 C ATOM 344 CZ TYR A 23 24.847 -19.960 -15.063 1.00 4.33 C ATOM 345 OH TYR A 23 25.966 -19.223 -14.746 1.00 33.13 O ATOM 0 H TYR A 23 20.769 -23.674 -13.612 1.00 75.24 H new ATOM 0 HA TYR A 23 19.947 -21.144 -14.872 1.00 32.22 H new ATOM 0 HB2 TYR A 23 21.645 -23.299 -16.190 1.00 52.40 H new ATOM 0 HB3 TYR A 23 20.959 -21.907 -17.003 1.00 52.40 H new ATOM 0 HD1 TYR A 23 23.492 -22.991 -14.533 1.00 43.22 H new ATOM 0 HD2 TYR A 23 21.973 -19.710 -16.788 1.00 74.25 H new ATOM 0 HE1 TYR A 23 25.488 -21.677 -13.965 1.00 72.41 H new ATOM 0 HE2 TYR A 23 23.969 -18.398 -16.227 1.00 3.03 H new ATOM 0 HH TYR A 23 25.903 -18.338 -15.162 1.00 33.13 H new ATOM 355 N ILE A 24 17.929 -22.310 -15.664 1.00 34.20 N ATOM 356 CA ILE A 24 16.703 -22.968 -16.100 1.00 51.41 C ATOM 357 C ILE A 24 16.383 -22.627 -17.552 1.00 12.35 C ATOM 358 O ILE A 24 16.995 -21.735 -18.140 1.00 35.20 O ATOM 359 CB ILE A 24 15.506 -22.571 -15.215 1.00 61.25 C ATOM 360 CG1 ILE A 24 15.373 -21.048 -15.153 1.00 34.33 C ATOM 361 CG2 ILE A 24 15.665 -23.153 -13.818 1.00 54.45 C ATOM 362 CD1 ILE A 24 14.035 -20.538 -15.643 1.00 25.33 C ATOM 0 H ILE A 24 17.848 -21.300 -15.548 1.00 34.20 H new ATOM 0 HA ILE A 24 16.871 -24.041 -16.010 1.00 51.41 H new ATOM 0 HB ILE A 24 14.596 -22.978 -15.655 1.00 61.25 H new ATOM 0 HG12 ILE A 24 15.523 -20.720 -14.125 1.00 34.33 H new ATOM 0 HG13 ILE A 24 16.166 -20.597 -15.751 1.00 34.33 H new ATOM 0 HG21 ILE A 24 14.812 -22.864 -13.204 1.00 54.45 H new ATOM 0 HG22 ILE A 24 15.716 -24.240 -13.880 1.00 54.45 H new ATOM 0 HG23 ILE A 24 16.582 -22.772 -13.367 1.00 54.45 H new ATOM 0 HD11 ILE A 24 14.011 -19.451 -15.571 1.00 25.33 H new ATOM 0 HD12 ILE A 24 13.890 -20.836 -16.682 1.00 25.33 H new ATOM 0 HD13 ILE A 24 13.238 -20.960 -15.030 1.00 25.33 H new ATOM 374 N SER A 25 15.419 -23.341 -18.123 1.00 34.43 N ATOM 375 CA SER A 25 15.018 -23.116 -19.507 1.00 33.25 C ATOM 376 C SER A 25 13.916 -22.064 -19.589 1.00 31.14 C ATOM 377 O SER A 25 13.271 -21.746 -18.590 1.00 73.01 O ATOM 378 CB SER A 25 14.538 -24.424 -20.140 1.00 2.40 C ATOM 379 OG SER A 25 15.044 -25.546 -19.438 1.00 14.12 O ATOM 0 H SER A 25 14.901 -24.081 -17.649 1.00 34.43 H new ATOM 0 HA SER A 25 15.886 -22.752 -20.056 1.00 33.25 H new ATOM 0 HB2 SER A 25 13.448 -24.453 -20.141 1.00 2.40 H new ATOM 0 HB3 SER A 25 14.859 -24.467 -21.181 1.00 2.40 H new ATOM 0 HG SER A 25 14.722 -26.369 -19.861 1.00 14.12 H new ATOM 385 N ALA A 26 13.707 -21.528 -20.786 1.00 52.44 N ATOM 386 CA ALA A 26 12.682 -20.513 -21.001 1.00 4.03 C ATOM 387 C ALA A 26 11.348 -20.945 -20.403 1.00 72.41 C ATOM 388 O ALA A 26 10.572 -20.116 -19.929 1.00 74.51 O ATOM 389 CB ALA A 26 12.529 -20.224 -22.487 1.00 13.25 C ATOM 0 H ALA A 26 14.234 -21.779 -21.623 1.00 52.44 H new ATOM 0 HA ALA A 26 12.998 -19.600 -20.496 1.00 4.03 H new ATOM 0 HB1 ALA A 26 11.761 -19.465 -22.633 1.00 13.25 H new ATOM 0 HB2 ALA A 26 13.477 -19.863 -22.887 1.00 13.25 H new ATOM 0 HB3 ALA A 26 12.240 -21.137 -23.007 1.00 13.25 H new ATOM 395 N ALA A 27 11.087 -22.248 -20.430 1.00 23.43 N ATOM 396 CA ALA A 27 9.847 -22.791 -19.889 1.00 51.43 C ATOM 397 C ALA A 27 9.586 -22.266 -18.481 1.00 60.33 C ATOM 398 O ALA A 27 8.582 -21.599 -18.233 1.00 75.13 O ATOM 399 CB ALA A 27 9.892 -24.311 -19.888 1.00 71.44 C ATOM 0 H ALA A 27 11.718 -22.947 -20.821 1.00 23.43 H new ATOM 0 HA ALA A 27 9.027 -22.464 -20.528 1.00 51.43 H new ATOM 0 HB1 ALA A 27 8.959 -24.702 -19.481 1.00 71.44 H new ATOM 0 HB2 ALA A 27 10.023 -24.672 -20.908 1.00 71.44 H new ATOM 0 HB3 ALA A 27 10.726 -24.650 -19.274 1.00 71.44 H new ATOM 405 N ASP A 28 10.496 -22.573 -17.563 1.00 53.21 N ATOM 406 CA ASP A 28 10.364 -22.132 -16.179 1.00 50.02 C ATOM 407 C ASP A 28 10.213 -20.616 -16.104 1.00 12.20 C ATOM 408 O ASP A 28 9.552 -20.091 -15.207 1.00 12.20 O ATOM 409 CB ASP A 28 11.578 -22.577 -15.362 1.00 73.20 C ATOM 410 CG ASP A 28 11.320 -23.858 -14.593 1.00 13.00 C ATOM 411 OD1 ASP A 28 10.201 -24.015 -14.060 1.00 22.23 O ATOM 412 OD2 ASP A 28 12.236 -24.704 -14.525 1.00 51.52 O ATOM 0 H ASP A 28 11.333 -23.125 -17.752 1.00 53.21 H new ATOM 0 HA ASP A 28 9.467 -22.590 -15.761 1.00 50.02 H new ATOM 0 HB2 ASP A 28 12.428 -22.722 -16.029 1.00 73.20 H new ATOM 0 HB3 ASP A 28 11.852 -21.786 -14.664 1.00 73.20 H new ATOM 417 N LEU A 29 10.830 -19.917 -17.050 1.00 62.33 N ATOM 418 CA LEU A 29 10.765 -18.461 -17.091 1.00 45.52 C ATOM 419 C LEU A 29 9.354 -17.987 -17.422 1.00 73.22 C ATOM 420 O LEU A 29 8.737 -17.255 -16.649 1.00 14.13 O ATOM 421 CB LEU A 29 11.754 -17.915 -18.124 1.00 33.23 C ATOM 422 CG LEU A 29 12.131 -16.441 -17.978 1.00 41.42 C ATOM 423 CD1 LEU A 29 13.381 -16.127 -18.786 1.00 74.14 C ATOM 424 CD2 LEU A 29 10.976 -15.549 -18.411 1.00 21.30 C ATOM 0 H LEU A 29 11.381 -20.335 -17.799 1.00 62.33 H new ATOM 0 HA LEU A 29 11.033 -18.083 -16.104 1.00 45.52 H new ATOM 0 HB2 LEU A 29 12.666 -18.509 -18.074 1.00 33.23 H new ATOM 0 HB3 LEU A 29 11.331 -18.064 -19.117 1.00 33.23 H new ATOM 0 HG LEU A 29 12.343 -16.243 -16.927 1.00 41.42 H new ATOM 0 HD11 LEU A 29 13.634 -15.073 -18.670 1.00 74.14 H new ATOM 0 HD12 LEU A 29 14.208 -16.740 -18.429 1.00 74.14 H new ATOM 0 HD13 LEU A 29 13.197 -16.342 -19.839 1.00 74.14 H new ATOM 0 HD21 LEU A 29 11.263 -14.503 -18.300 1.00 21.30 H new ATOM 0 HD22 LEU A 29 10.732 -15.750 -19.454 1.00 21.30 H new ATOM 0 HD23 LEU A 29 10.105 -15.754 -17.789 1.00 21.30 H new ATOM 436 N ARG A 30 8.848 -18.412 -18.575 1.00 71.24 N ATOM 437 CA ARG A 30 7.508 -18.033 -19.008 1.00 44.32 C ATOM 438 C ARG A 30 6.483 -18.316 -17.914 1.00 71.04 C ATOM 439 O ARG A 30 5.468 -17.627 -17.807 1.00 31.13 O ATOM 440 CB ARG A 30 7.129 -18.786 -20.285 1.00 4.52 C ATOM 441 CG ARG A 30 5.786 -18.369 -20.862 1.00 2.05 C ATOM 442 CD ARG A 30 4.801 -19.527 -20.871 1.00 71.25 C ATOM 443 NE ARG A 30 4.849 -20.276 -22.124 1.00 61.14 N ATOM 444 CZ ARG A 30 3.954 -21.196 -22.466 1.00 33.15 C ATOM 445 NH1 ARG A 30 2.946 -21.479 -21.652 1.00 12.21 N ATOM 446 NH2 ARG A 30 4.065 -21.835 -23.623 1.00 62.01 N ATOM 0 H ARG A 30 9.346 -19.019 -19.226 1.00 71.24 H new ATOM 0 HA ARG A 30 7.509 -16.962 -19.213 1.00 44.32 H new ATOM 0 HB2 ARG A 30 7.903 -18.625 -21.035 1.00 4.52 H new ATOM 0 HB3 ARG A 30 7.108 -19.855 -20.074 1.00 4.52 H new ATOM 0 HG2 ARG A 30 5.377 -17.546 -20.276 1.00 2.05 H new ATOM 0 HG3 ARG A 30 5.924 -17.999 -21.878 1.00 2.05 H new ATOM 0 HD2 ARG A 30 5.021 -20.197 -20.040 1.00 71.25 H new ATOM 0 HD3 ARG A 30 3.792 -19.146 -20.715 1.00 71.25 H new ATOM 0 HE ARG A 30 5.612 -20.082 -22.772 1.00 61.14 H new ATOM 0 HH11 ARG A 30 2.857 -20.990 -20.761 1.00 12.21 H new ATOM 0 HH12 ARG A 30 2.260 -22.186 -21.917 1.00 12.21 H new ATOM 0 HH21 ARG A 30 4.839 -21.620 -24.252 1.00 62.01 H new ATOM 0 HH22 ARG A 30 3.377 -22.541 -23.884 1.00 62.01 H new ATOM 460 N HIS A 31 6.755 -19.335 -17.105 1.00 12.21 N ATOM 461 CA HIS A 31 5.856 -19.709 -16.019 1.00 71.51 C ATOM 462 C HIS A 31 5.865 -18.654 -14.917 1.00 63.13 C ATOM 463 O HIS A 31 4.816 -18.145 -14.522 1.00 23.53 O ATOM 464 CB HIS A 31 6.256 -21.068 -15.443 1.00 61.23 C ATOM 465 CG HIS A 31 5.116 -22.033 -15.337 1.00 74.10 C ATOM 466 ND1 HIS A 31 3.982 -21.780 -14.594 1.00 51.52 N ATOM 467 CD2 HIS A 31 4.938 -23.257 -15.887 1.00 35.24 C ATOM 468 CE1 HIS A 31 3.157 -22.807 -14.690 1.00 14.40 C ATOM 469 NE2 HIS A 31 3.713 -23.717 -15.469 1.00 53.31 N ATOM 0 H HIS A 31 7.590 -19.916 -17.181 1.00 12.21 H new ATOM 0 HA HIS A 31 4.846 -19.777 -16.424 1.00 71.51 H new ATOM 0 HB2 HIS A 31 7.033 -21.504 -16.070 1.00 61.23 H new ATOM 0 HB3 HIS A 31 6.690 -20.921 -14.454 1.00 61.23 H new ATOM 0 HD2 HIS A 31 5.630 -23.775 -16.534 1.00 35.24 H new ATOM 0 HE1 HIS A 31 2.192 -22.889 -14.213 1.00 14.40 H new ATOM 0 HE2 HIS A 31 3.300 -24.615 -15.720 1.00 53.31 H new ATOM 477 N VAL A 32 7.057 -18.330 -14.425 1.00 52.11 N ATOM 478 CA VAL A 32 7.203 -17.335 -13.369 1.00 71.03 C ATOM 479 C VAL A 32 6.626 -15.991 -13.797 1.00 53.55 C ATOM 480 O VAL A 32 5.940 -15.324 -13.024 1.00 14.53 O ATOM 481 CB VAL A 32 8.680 -17.146 -12.977 1.00 42.30 C ATOM 482 CG1 VAL A 32 8.797 -16.251 -11.752 1.00 63.23 C ATOM 483 CG2 VAL A 32 9.342 -18.493 -12.729 1.00 0.31 C ATOM 0 H VAL A 32 7.935 -18.742 -14.741 1.00 52.11 H new ATOM 0 HA VAL A 32 6.650 -17.706 -12.506 1.00 71.03 H new ATOM 0 HB VAL A 32 9.198 -16.659 -13.803 1.00 42.30 H new ATOM 0 HG11 VAL A 32 9.848 -16.129 -11.490 1.00 63.23 H new ATOM 0 HG12 VAL A 32 8.362 -15.276 -11.971 1.00 63.23 H new ATOM 0 HG13 VAL A 32 8.265 -16.706 -10.917 1.00 63.23 H new ATOM 0 HG21 VAL A 32 10.385 -18.340 -12.453 1.00 0.31 H new ATOM 0 HG22 VAL A 32 8.825 -19.009 -11.920 1.00 0.31 H new ATOM 0 HG23 VAL A 32 9.291 -19.096 -13.636 1.00 0.31 H new ATOM 493 N MET A 33 6.908 -15.599 -15.036 1.00 4.24 N ATOM 494 CA MET A 33 6.415 -14.334 -15.568 1.00 5.43 C ATOM 495 C MET A 33 4.895 -14.351 -15.690 1.00 41.12 C ATOM 496 O MET A 33 4.205 -13.516 -15.105 1.00 12.14 O ATOM 497 CB MET A 33 7.046 -14.050 -16.933 1.00 14.24 C ATOM 498 CG MET A 33 8.248 -13.122 -16.866 1.00 12.02 C ATOM 499 SD MET A 33 7.848 -11.431 -17.348 1.00 61.33 S ATOM 500 CE MET A 33 7.555 -11.640 -19.103 1.00 23.21 C ATOM 0 H MET A 33 7.475 -16.139 -15.690 1.00 4.24 H new ATOM 0 HA MET A 33 6.697 -13.542 -14.874 1.00 5.43 H new ATOM 0 HB2 MET A 33 7.350 -14.993 -17.387 1.00 14.24 H new ATOM 0 HB3 MET A 33 6.294 -13.610 -17.587 1.00 14.24 H new ATOM 0 HG2 MET A 33 8.646 -13.122 -15.851 1.00 12.02 H new ATOM 0 HG3 MET A 33 9.034 -13.505 -17.517 1.00 12.02 H new ATOM 0 HE1 MET A 33 6.704 -11.030 -19.405 1.00 23.21 H new ATOM 0 HE2 MET A 33 8.439 -11.329 -19.659 1.00 23.21 H new ATOM 0 HE3 MET A 33 7.343 -12.688 -19.314 1.00 23.21 H new ATOM 510 N THR A 34 4.378 -15.307 -16.455 1.00 61.25 N ATOM 511 CA THR A 34 2.940 -15.432 -16.656 1.00 10.01 C ATOM 512 C THR A 34 2.214 -15.618 -15.328 1.00 60.45 C ATOM 513 O THR A 34 1.025 -15.323 -15.214 1.00 23.23 O ATOM 514 CB THR A 34 2.602 -16.615 -17.583 1.00 45.21 C ATOM 515 OG1 THR A 34 3.326 -16.495 -18.813 1.00 53.11 O ATOM 516 CG2 THR A 34 1.109 -16.669 -17.870 1.00 5.41 C ATOM 0 H THR A 34 4.935 -16.007 -16.946 1.00 61.25 H new ATOM 0 HA THR A 34 2.605 -14.507 -17.124 1.00 10.01 H new ATOM 0 HB THR A 34 2.892 -17.537 -17.079 1.00 45.21 H new ATOM 0 HG1 THR A 34 4.265 -16.734 -18.665 1.00 53.11 H new ATOM 0 HG21 THR A 34 0.895 -17.512 -18.526 1.00 5.41 H new ATOM 0 HG22 THR A 34 0.563 -16.790 -16.934 1.00 5.41 H new ATOM 0 HG23 THR A 34 0.798 -15.744 -18.355 1.00 5.41 H new ATOM 524 N ASN A 35 2.937 -16.110 -14.328 1.00 4.45 N ATOM 525 CA ASN A 35 2.361 -16.335 -13.007 1.00 22.21 C ATOM 526 C ASN A 35 2.376 -15.053 -12.181 1.00 12.42 C ATOM 527 O ASN A 35 1.325 -14.506 -11.844 1.00 54.11 O ATOM 528 CB ASN A 35 3.130 -17.436 -12.273 1.00 71.25 C ATOM 529 CG ASN A 35 2.534 -17.751 -10.915 1.00 12.20 C ATOM 530 OD1 ASN A 35 2.849 -17.097 -9.920 1.00 73.42 O ATOM 531 ND2 ASN A 35 1.668 -18.756 -10.868 1.00 31.45 N ATOM 0 H ASN A 35 3.923 -16.361 -14.407 1.00 4.45 H new ATOM 0 HA ASN A 35 1.326 -16.649 -13.139 1.00 22.21 H new ATOM 0 HB2 ASN A 35 3.136 -18.340 -12.883 1.00 71.25 H new ATOM 0 HB3 ASN A 35 4.168 -17.129 -12.149 1.00 71.25 H new ATOM 0 HD21 ASN A 35 1.234 -19.014 -9.982 1.00 31.45 H new ATOM 0 HD22 ASN A 35 1.437 -19.270 -11.718 1.00 31.45 H new ATOM 538 N LEU A 36 3.573 -14.577 -11.858 1.00 24.23 N ATOM 539 CA LEU A 36 3.726 -13.358 -11.071 1.00 51.03 C ATOM 540 C LEU A 36 2.950 -12.204 -11.699 1.00 62.41 C ATOM 541 O LEU A 36 2.417 -12.328 -12.801 1.00 20.31 O ATOM 542 CB LEU A 36 5.205 -12.987 -10.951 1.00 21.11 C ATOM 543 CG LEU A 36 5.931 -13.517 -9.714 1.00 64.11 C ATOM 544 CD1 LEU A 36 5.806 -15.030 -9.629 1.00 61.30 C ATOM 545 CD2 LEU A 36 7.395 -13.102 -9.736 1.00 42.33 C ATOM 0 H LEU A 36 4.453 -15.017 -12.129 1.00 24.23 H new ATOM 0 HA LEU A 36 3.323 -13.544 -10.076 1.00 51.03 H new ATOM 0 HB2 LEU A 36 5.724 -13.353 -11.837 1.00 21.11 H new ATOM 0 HB3 LEU A 36 5.288 -11.900 -10.959 1.00 21.11 H new ATOM 0 HG LEU A 36 5.464 -13.084 -8.829 1.00 64.11 H new ATOM 0 HD11 LEU A 36 6.329 -15.389 -8.742 1.00 61.30 H new ATOM 0 HD12 LEU A 36 4.753 -15.305 -9.566 1.00 61.30 H new ATOM 0 HD13 LEU A 36 6.246 -15.482 -10.518 1.00 61.30 H new ATOM 0 HD21 LEU A 36 7.896 -13.488 -8.848 1.00 42.33 H new ATOM 0 HD22 LEU A 36 7.874 -13.506 -10.628 1.00 42.33 H new ATOM 0 HD23 LEU A 36 7.465 -12.014 -9.748 1.00 42.33 H new ATOM 557 N GLY A 37 2.893 -11.081 -10.990 1.00 42.13 N ATOM 558 CA GLY A 37 2.183 -9.921 -11.495 1.00 14.41 C ATOM 559 C GLY A 37 2.615 -9.540 -12.897 1.00 23.20 C ATOM 560 O GLY A 37 1.837 -8.968 -13.659 1.00 41.12 O ATOM 0 H GLY A 37 3.326 -10.954 -10.075 1.00 42.13 H new ATOM 0 HA2 GLY A 37 1.112 -10.125 -11.491 1.00 14.41 H new ATOM 0 HA3 GLY A 37 2.350 -9.077 -10.825 1.00 14.41 H new ATOM 564 N GLU A 38 3.861 -9.858 -13.237 1.00 13.51 N ATOM 565 CA GLU A 38 4.395 -9.542 -14.556 1.00 65.44 C ATOM 566 C GLU A 38 3.900 -10.542 -15.597 1.00 61.42 C ATOM 567 O GLU A 38 4.693 -11.230 -16.242 1.00 12.35 O ATOM 568 CB GLU A 38 5.925 -9.539 -14.524 1.00 22.33 C ATOM 569 CG GLU A 38 6.518 -8.292 -13.889 1.00 71.24 C ATOM 570 CD GLU A 38 6.035 -7.016 -14.550 1.00 14.30 C ATOM 571 OE1 GLU A 38 6.295 -6.837 -15.758 1.00 54.11 O ATOM 572 OE2 GLU A 38 5.396 -6.196 -13.858 1.00 13.51 O ATOM 0 H GLU A 38 4.518 -10.333 -12.618 1.00 13.51 H new ATOM 0 HA GLU A 38 4.042 -8.549 -14.834 1.00 65.44 H new ATOM 0 HB2 GLU A 38 6.270 -10.415 -13.975 1.00 22.33 H new ATOM 0 HB3 GLU A 38 6.302 -9.632 -15.543 1.00 22.33 H new ATOM 0 HG2 GLU A 38 6.259 -8.269 -12.831 1.00 71.24 H new ATOM 0 HG3 GLU A 38 7.605 -8.339 -13.950 1.00 71.24 H new ATOM 579 N LYS A 39 2.583 -10.619 -15.756 1.00 2.40 N ATOM 580 CA LYS A 39 1.980 -11.533 -16.718 1.00 54.11 C ATOM 581 C LYS A 39 1.855 -10.876 -18.089 1.00 14.31 C ATOM 582 O LYS A 39 1.056 -9.957 -18.278 1.00 2.13 O ATOM 583 CB LYS A 39 0.601 -11.984 -16.229 1.00 42.51 C ATOM 584 CG LYS A 39 -0.073 -12.986 -17.149 1.00 63.45 C ATOM 585 CD LYS A 39 -1.579 -13.000 -16.951 1.00 72.44 C ATOM 586 CE LYS A 39 -1.968 -13.750 -15.686 1.00 50.13 C ATOM 587 NZ LYS A 39 -1.943 -15.225 -15.886 1.00 24.42 N ATOM 0 H LYS A 39 1.912 -10.058 -15.230 1.00 2.40 H new ATOM 0 HA LYS A 39 2.629 -12.404 -16.810 1.00 54.11 H new ATOM 0 HB2 LYS A 39 0.703 -12.425 -15.238 1.00 42.51 H new ATOM 0 HB3 LYS A 39 -0.042 -11.110 -16.124 1.00 42.51 H new ATOM 0 HG2 LYS A 39 0.156 -12.741 -18.186 1.00 63.45 H new ATOM 0 HG3 LYS A 39 0.329 -13.982 -16.961 1.00 63.45 H new ATOM 0 HD2 LYS A 39 -1.949 -11.976 -16.897 1.00 72.44 H new ATOM 0 HD3 LYS A 39 -2.056 -13.466 -17.813 1.00 72.44 H new ATOM 0 HE2 LYS A 39 -1.285 -13.481 -14.880 1.00 50.13 H new ATOM 0 HE3 LYS A 39 -2.966 -13.443 -15.374 1.00 50.13 H new ATOM 0 HZ1 LYS A 39 -2.598 -15.677 -15.217 1.00 24.42 H new ATOM 0 HZ2 LYS A 39 -2.233 -15.448 -16.859 1.00 24.42 H new ATOM 0 HZ3 LYS A 39 -0.980 -15.581 -15.722 1.00 24.42 H new ATOM 601 N LEU A 40 2.647 -11.352 -19.043 1.00 34.52 N ATOM 602 CA LEU A 40 2.623 -10.812 -20.398 1.00 23.04 C ATOM 603 C LEU A 40 2.215 -11.883 -21.404 1.00 42.12 C ATOM 604 O LEU A 40 2.031 -13.048 -21.049 1.00 5.44 O ATOM 605 CB LEU A 40 3.996 -10.246 -20.766 1.00 21.51 C ATOM 606 CG LEU A 40 4.264 -8.803 -20.338 1.00 62.20 C ATOM 607 CD1 LEU A 40 3.401 -7.840 -21.138 1.00 60.12 C ATOM 608 CD2 LEU A 40 4.014 -8.634 -18.847 1.00 14.34 C ATOM 0 H LEU A 40 3.314 -12.111 -18.904 1.00 34.52 H new ATOM 0 HA LEU A 40 1.885 -10.010 -20.431 1.00 23.04 H new ATOM 0 HB2 LEU A 40 4.760 -10.883 -20.322 1.00 21.51 H new ATOM 0 HB3 LEU A 40 4.116 -10.311 -21.847 1.00 21.51 H new ATOM 0 HG LEU A 40 5.310 -8.573 -20.539 1.00 62.20 H new ATOM 0 HD11 LEU A 40 3.605 -6.818 -20.820 1.00 60.12 H new ATOM 0 HD12 LEU A 40 3.629 -7.942 -22.199 1.00 60.12 H new ATOM 0 HD13 LEU A 40 2.349 -8.069 -20.970 1.00 60.12 H new ATOM 0 HD21 LEU A 40 4.210 -7.601 -18.560 1.00 14.34 H new ATOM 0 HD22 LEU A 40 2.977 -8.883 -18.621 1.00 14.34 H new ATOM 0 HD23 LEU A 40 4.676 -9.297 -18.290 1.00 14.34 H new ATOM 620 N THR A 41 2.077 -11.482 -22.664 1.00 53.31 N ATOM 621 CA THR A 41 1.692 -12.406 -23.723 1.00 33.42 C ATOM 622 C THR A 41 2.916 -13.055 -24.358 1.00 60.41 C ATOM 623 O THR A 41 4.044 -12.604 -24.158 1.00 32.00 O ATOM 624 CB THR A 41 0.874 -11.697 -24.819 1.00 1.14 C ATOM 625 OG1 THR A 41 1.731 -10.863 -25.607 1.00 20.51 O ATOM 626 CG2 THR A 41 -0.236 -10.856 -24.206 1.00 72.35 C ATOM 0 H THR A 41 2.226 -10.522 -22.976 1.00 53.31 H new ATOM 0 HA THR A 41 1.074 -13.176 -23.261 1.00 33.42 H new ATOM 0 HB THR A 41 0.423 -12.458 -25.455 1.00 1.14 H new ATOM 0 HG1 THR A 41 1.204 -10.417 -26.303 1.00 20.51 H new ATOM 0 HG21 THR A 41 -0.800 -10.365 -24.999 1.00 72.35 H new ATOM 0 HG22 THR A 41 -0.903 -11.498 -23.630 1.00 72.35 H new ATOM 0 HG23 THR A 41 0.199 -10.102 -23.550 1.00 72.35 H new ATOM 634 N ASP A 42 2.687 -14.116 -25.125 1.00 12.24 N ATOM 635 CA ASP A 42 3.772 -14.826 -25.791 1.00 70.23 C ATOM 636 C ASP A 42 4.625 -13.866 -26.614 1.00 63.11 C ATOM 637 O ASP A 42 5.823 -14.083 -26.792 1.00 5.35 O ATOM 638 CB ASP A 42 3.211 -15.929 -26.691 1.00 3.20 C ATOM 639 CG ASP A 42 3.377 -17.309 -26.086 1.00 72.35 C ATOM 640 OD1 ASP A 42 3.458 -17.407 -24.844 1.00 53.33 O ATOM 641 OD2 ASP A 42 3.426 -18.292 -26.856 1.00 24.23 O ATOM 0 H ASP A 42 1.760 -14.503 -25.300 1.00 12.24 H new ATOM 0 HA ASP A 42 4.402 -15.278 -25.025 1.00 70.23 H new ATOM 0 HB2 ASP A 42 2.153 -15.741 -26.875 1.00 3.20 H new ATOM 0 HB3 ASP A 42 3.714 -15.896 -27.658 1.00 3.20 H new ATOM 646 N GLU A 43 3.999 -12.806 -27.115 1.00 12.34 N ATOM 647 CA GLU A 43 4.701 -11.814 -27.920 1.00 43.03 C ATOM 648 C GLU A 43 5.506 -10.866 -27.036 1.00 40.30 C ATOM 649 O GLU A 43 6.699 -10.661 -27.254 1.00 45.42 O ATOM 650 CB GLU A 43 3.708 -11.018 -28.769 1.00 41.23 C ATOM 651 CG GLU A 43 4.271 -10.575 -30.109 1.00 41.23 C ATOM 652 CD GLU A 43 3.445 -9.480 -30.756 1.00 72.11 C ATOM 653 OE1 GLU A 43 2.362 -9.793 -31.294 1.00 44.44 O ATOM 654 OE2 GLU A 43 3.881 -8.310 -30.723 1.00 62.43 O ATOM 0 H GLU A 43 3.007 -12.612 -26.978 1.00 12.34 H new ATOM 0 HA GLU A 43 5.391 -12.341 -28.579 1.00 43.03 H new ATOM 0 HB2 GLU A 43 2.820 -11.627 -28.941 1.00 41.23 H new ATOM 0 HB3 GLU A 43 3.388 -10.139 -28.210 1.00 41.23 H new ATOM 0 HG2 GLU A 43 5.292 -10.221 -29.970 1.00 41.23 H new ATOM 0 HG3 GLU A 43 4.320 -11.433 -30.780 1.00 41.23 H new ATOM 661 N GLU A 44 4.842 -10.290 -26.038 1.00 65.31 N ATOM 662 CA GLU A 44 5.496 -9.363 -25.122 1.00 13.30 C ATOM 663 C GLU A 44 6.659 -10.038 -24.401 1.00 35.31 C ATOM 664 O GLU A 44 7.701 -9.426 -24.171 1.00 2.44 O ATOM 665 CB GLU A 44 4.490 -8.827 -24.101 1.00 2.33 C ATOM 666 CG GLU A 44 3.851 -7.510 -24.509 1.00 70.10 C ATOM 667 CD GLU A 44 4.735 -6.315 -24.210 1.00 13.14 C ATOM 668 OE1 GLU A 44 5.401 -6.320 -23.153 1.00 62.54 O ATOM 669 OE2 GLU A 44 4.760 -5.374 -25.031 1.00 31.44 O ATOM 0 H GLU A 44 3.853 -10.449 -25.844 1.00 65.31 H new ATOM 0 HA GLU A 44 5.889 -8.531 -25.707 1.00 13.30 H new ATOM 0 HB2 GLU A 44 3.707 -9.570 -23.951 1.00 2.33 H new ATOM 0 HB3 GLU A 44 4.993 -8.696 -23.143 1.00 2.33 H new ATOM 0 HG2 GLU A 44 3.628 -7.534 -25.576 1.00 70.10 H new ATOM 0 HG3 GLU A 44 2.901 -7.394 -23.987 1.00 70.10 H new ATOM 676 N VAL A 45 6.471 -11.306 -24.046 1.00 41.32 N ATOM 677 CA VAL A 45 7.503 -12.066 -23.352 1.00 4.12 C ATOM 678 C VAL A 45 8.693 -12.338 -24.265 1.00 5.00 C ATOM 679 O VAL A 45 9.840 -12.365 -23.817 1.00 13.24 O ATOM 680 CB VAL A 45 6.956 -13.406 -22.827 1.00 31.40 C ATOM 681 CG1 VAL A 45 8.054 -14.196 -22.130 1.00 52.15 C ATOM 682 CG2 VAL A 45 5.781 -13.171 -21.890 1.00 74.43 C ATOM 0 H VAL A 45 5.614 -11.828 -24.228 1.00 41.32 H new ATOM 0 HA VAL A 45 7.828 -11.459 -22.507 1.00 4.12 H new ATOM 0 HB VAL A 45 6.603 -13.992 -23.676 1.00 31.40 H new ATOM 0 HG11 VAL A 45 7.648 -15.140 -21.766 1.00 52.15 H new ATOM 0 HG12 VAL A 45 8.861 -14.396 -22.834 1.00 52.15 H new ATOM 0 HG13 VAL A 45 8.440 -13.619 -21.290 1.00 52.15 H new ATOM 0 HG21 VAL A 45 5.407 -14.129 -21.528 1.00 74.43 H new ATOM 0 HG22 VAL A 45 6.106 -12.565 -21.044 1.00 74.43 H new ATOM 0 HG23 VAL A 45 4.987 -12.650 -22.425 1.00 74.43 H new ATOM 692 N ASP A 46 8.414 -12.539 -25.548 1.00 13.11 N ATOM 693 CA ASP A 46 9.461 -12.808 -26.526 1.00 45.40 C ATOM 694 C ASP A 46 10.554 -11.745 -26.458 1.00 20.23 C ATOM 695 O ASP A 46 11.741 -12.056 -26.551 1.00 50.23 O ATOM 696 CB ASP A 46 8.871 -12.860 -27.936 1.00 42.00 C ATOM 697 CG ASP A 46 9.321 -14.085 -28.707 1.00 21.51 C ATOM 698 OD1 ASP A 46 9.033 -15.212 -28.251 1.00 55.50 O ATOM 699 OD2 ASP A 46 9.963 -13.919 -29.766 1.00 15.45 O ATOM 0 H ASP A 46 7.471 -12.521 -25.935 1.00 13.11 H new ATOM 0 HA ASP A 46 9.904 -13.776 -26.290 1.00 45.40 H new ATOM 0 HB2 ASP A 46 7.783 -12.854 -27.872 1.00 42.00 H new ATOM 0 HB3 ASP A 46 9.163 -11.963 -28.482 1.00 42.00 H new ATOM 704 N GLU A 47 10.144 -10.491 -26.295 1.00 72.20 N ATOM 705 CA GLU A 47 11.089 -9.383 -26.216 1.00 75.24 C ATOM 706 C GLU A 47 11.720 -9.304 -24.829 1.00 51.04 C ATOM 707 O GLU A 47 12.888 -8.944 -24.687 1.00 62.35 O ATOM 708 CB GLU A 47 10.389 -8.063 -26.547 1.00 21.04 C ATOM 709 CG GLU A 47 11.197 -7.158 -27.461 1.00 5.00 C ATOM 710 CD GLU A 47 10.513 -5.830 -27.722 1.00 33.42 C ATOM 711 OE1 GLU A 47 9.649 -5.439 -26.909 1.00 21.33 O ATOM 712 OE2 GLU A 47 10.840 -5.183 -28.738 1.00 72.01 O ATOM 0 H GLU A 47 9.165 -10.217 -26.215 1.00 72.20 H new ATOM 0 HA GLU A 47 11.879 -9.560 -26.946 1.00 75.24 H new ATOM 0 HB2 GLU A 47 9.430 -8.278 -27.018 1.00 21.04 H new ATOM 0 HB3 GLU A 47 10.176 -7.532 -25.619 1.00 21.04 H new ATOM 0 HG2 GLU A 47 12.175 -6.977 -27.015 1.00 5.00 H new ATOM 0 HG3 GLU A 47 11.369 -7.666 -28.410 1.00 5.00 H new ATOM 719 N MET A 48 10.938 -9.642 -23.810 1.00 33.05 N ATOM 720 CA MET A 48 11.420 -9.610 -22.434 1.00 10.24 C ATOM 721 C MET A 48 12.622 -10.533 -22.257 1.00 54.30 C ATOM 722 O MET A 48 13.634 -10.144 -21.674 1.00 11.33 O ATOM 723 CB MET A 48 10.304 -10.017 -21.470 1.00 13.43 C ATOM 724 CG MET A 48 9.849 -8.890 -20.556 1.00 51.24 C ATOM 725 SD MET A 48 10.448 -9.080 -18.867 1.00 23.54 S ATOM 726 CE MET A 48 12.213 -9.205 -19.145 1.00 42.34 C ATOM 0 H MET A 48 9.968 -9.941 -23.911 1.00 33.05 H new ATOM 0 HA MET A 48 11.731 -8.590 -22.208 1.00 10.24 H new ATOM 0 HB2 MET A 48 9.450 -10.374 -22.046 1.00 13.43 H new ATOM 0 HB3 MET A 48 10.649 -10.852 -20.860 1.00 13.43 H new ATOM 0 HG2 MET A 48 10.199 -7.939 -20.957 1.00 51.24 H new ATOM 0 HG3 MET A 48 8.760 -8.851 -20.549 1.00 51.24 H new ATOM 0 HE1 MET A 48 12.746 -8.870 -18.255 1.00 42.34 H new ATOM 0 HE2 MET A 48 12.476 -10.242 -19.356 1.00 42.34 H new ATOM 0 HE3 MET A 48 12.493 -8.580 -19.993 1.00 42.34 H new ATOM 736 N ILE A 49 12.503 -11.755 -22.764 1.00 34.23 N ATOM 737 CA ILE A 49 13.580 -12.732 -22.662 1.00 13.10 C ATOM 738 C ILE A 49 14.750 -12.356 -23.564 1.00 51.25 C ATOM 739 O ILE A 49 15.902 -12.673 -23.268 1.00 41.45 O ATOM 740 CB ILE A 49 13.094 -14.146 -23.032 1.00 43.12 C ATOM 741 CG1 ILE A 49 11.892 -14.538 -22.171 1.00 23.04 C ATOM 742 CG2 ILE A 49 14.222 -15.153 -22.867 1.00 64.31 C ATOM 743 CD1 ILE A 49 11.203 -15.802 -22.635 1.00 13.22 C ATOM 0 H ILE A 49 11.672 -12.092 -23.250 1.00 34.23 H new ATOM 0 HA ILE A 49 13.910 -12.731 -21.623 1.00 13.10 H new ATOM 0 HB ILE A 49 12.783 -14.146 -24.077 1.00 43.12 H new ATOM 0 HG12 ILE A 49 12.221 -14.671 -21.140 1.00 23.04 H new ATOM 0 HG13 ILE A 49 11.172 -13.720 -22.173 1.00 23.04 H new ATOM 0 HG21 ILE A 49 13.863 -16.148 -23.132 1.00 64.31 H new ATOM 0 HG22 ILE A 49 15.051 -14.880 -23.520 1.00 64.31 H new ATOM 0 HG23 ILE A 49 14.561 -15.154 -21.831 1.00 64.31 H new ATOM 0 HD11 ILE A 49 10.360 -16.019 -21.978 1.00 13.22 H new ATOM 0 HD12 ILE A 49 10.843 -15.667 -23.655 1.00 13.22 H new ATOM 0 HD13 ILE A 49 11.909 -16.632 -22.607 1.00 13.22 H new ATOM 755 N ARG A 50 14.446 -11.677 -24.666 1.00 2.32 N ATOM 756 CA ARG A 50 15.473 -11.256 -25.612 1.00 31.33 C ATOM 757 C ARG A 50 16.574 -10.470 -24.905 1.00 73.24 C ATOM 758 O ARG A 50 17.732 -10.497 -25.321 1.00 13.44 O ATOM 759 CB ARG A 50 14.855 -10.404 -26.722 1.00 64.52 C ATOM 760 CG ARG A 50 15.166 -10.910 -28.122 1.00 2.34 C ATOM 761 CD ARG A 50 16.412 -10.248 -28.689 1.00 2.31 C ATOM 762 NE ARG A 50 16.183 -9.703 -30.024 1.00 53.03 N ATOM 763 CZ ARG A 50 17.111 -9.062 -30.726 1.00 13.21 C ATOM 764 NH1 ARG A 50 18.324 -8.887 -30.222 1.00 4.52 N ATOM 765 NH2 ARG A 50 16.826 -8.595 -31.935 1.00 14.02 N ATOM 0 H ARG A 50 13.497 -11.407 -24.925 1.00 2.32 H new ATOM 0 HA ARG A 50 15.915 -12.150 -26.053 1.00 31.33 H new ATOM 0 HB2 ARG A 50 13.774 -10.375 -26.587 1.00 64.52 H new ATOM 0 HB3 ARG A 50 15.216 -9.380 -26.626 1.00 64.52 H new ATOM 0 HG2 ARG A 50 15.306 -11.991 -28.097 1.00 2.34 H new ATOM 0 HG3 ARG A 50 14.318 -10.714 -28.778 1.00 2.34 H new ATOM 0 HD2 ARG A 50 16.733 -9.449 -28.021 1.00 2.31 H new ATOM 0 HD3 ARG A 50 17.223 -10.975 -28.729 1.00 2.31 H new ATOM 0 HE ARG A 50 15.259 -9.821 -30.441 1.00 53.03 H new ATOM 0 HH11 ARG A 50 18.547 -9.245 -29.293 1.00 4.52 H new ATOM 0 HH12 ARG A 50 19.035 -8.395 -30.763 1.00 4.52 H new ATOM 0 HH21 ARG A 50 15.893 -8.728 -32.326 1.00 14.02 H new ATOM 0 HH22 ARG A 50 17.539 -8.103 -32.473 1.00 14.02 H new ATOM 779 N GLU A 51 16.203 -9.772 -23.837 1.00 13.31 N ATOM 780 CA GLU A 51 17.159 -8.977 -23.075 1.00 31.33 C ATOM 781 C GLU A 51 17.672 -9.756 -21.867 1.00 4.22 C ATOM 782 O GLU A 51 18.836 -9.634 -21.486 1.00 22.22 O ATOM 783 CB GLU A 51 16.516 -7.667 -22.615 1.00 74.30 C ATOM 784 CG GLU A 51 16.378 -6.636 -23.722 1.00 52.40 C ATOM 785 CD GLU A 51 15.297 -5.612 -23.434 1.00 1.30 C ATOM 786 OE1 GLU A 51 14.106 -5.939 -23.620 1.00 42.30 O ATOM 787 OE2 GLU A 51 15.642 -4.484 -23.023 1.00 73.12 O ATOM 0 H GLU A 51 15.248 -9.741 -23.480 1.00 13.31 H new ATOM 0 HA GLU A 51 18.004 -8.749 -23.725 1.00 31.33 H new ATOM 0 HB2 GLU A 51 15.529 -7.881 -22.204 1.00 74.30 H new ATOM 0 HB3 GLU A 51 17.113 -7.243 -21.807 1.00 74.30 H new ATOM 0 HG2 GLU A 51 17.331 -6.124 -23.858 1.00 52.40 H new ATOM 0 HG3 GLU A 51 16.152 -7.143 -24.660 1.00 52.40 H new ATOM 794 N ALA A 52 16.795 -10.555 -21.269 1.00 30.02 N ATOM 795 CA ALA A 52 17.159 -11.354 -20.106 1.00 31.45 C ATOM 796 C ALA A 52 18.289 -12.323 -20.437 1.00 2.02 C ATOM 797 O ALA A 52 19.056 -12.721 -19.559 1.00 52.25 O ATOM 798 CB ALA A 52 15.947 -12.113 -19.586 1.00 55.11 C ATOM 0 H ALA A 52 15.827 -10.666 -21.571 1.00 30.02 H new ATOM 0 HA ALA A 52 17.512 -10.677 -19.328 1.00 31.45 H new ATOM 0 HB1 ALA A 52 16.234 -12.705 -18.717 1.00 55.11 H new ATOM 0 HB2 ALA A 52 15.169 -11.405 -19.301 1.00 55.11 H new ATOM 0 HB3 ALA A 52 15.569 -12.773 -20.367 1.00 55.11 H new ATOM 804 N ASP A 53 18.386 -12.699 -21.707 1.00 62.12 N ATOM 805 CA ASP A 53 19.424 -13.621 -22.154 1.00 75.44 C ATOM 806 C ASP A 53 20.730 -12.881 -22.423 1.00 52.15 C ATOM 807 O ASP A 53 20.847 -11.687 -22.145 1.00 34.11 O ATOM 808 CB ASP A 53 18.971 -14.358 -23.416 1.00 63.21 C ATOM 809 CG ASP A 53 18.963 -13.462 -24.639 1.00 4.23 C ATOM 810 OD1 ASP A 53 20.059 -13.129 -25.137 1.00 71.31 O ATOM 811 OD2 ASP A 53 17.862 -13.092 -25.097 1.00 12.15 O ATOM 0 H ASP A 53 17.759 -12.380 -22.445 1.00 62.12 H new ATOM 0 HA ASP A 53 19.597 -14.347 -21.360 1.00 75.44 H new ATOM 0 HB2 ASP A 53 19.632 -15.206 -23.595 1.00 63.21 H new ATOM 0 HB3 ASP A 53 17.971 -14.761 -23.258 1.00 63.21 H new ATOM 816 N ILE A 54 21.709 -13.597 -22.965 1.00 62.12 N ATOM 817 CA ILE A 54 23.007 -13.008 -23.272 1.00 14.45 C ATOM 818 C ILE A 54 23.294 -13.058 -24.768 1.00 53.13 C ATOM 819 O ILE A 54 23.997 -13.948 -25.246 1.00 61.13 O ATOM 820 CB ILE A 54 24.143 -13.724 -22.518 1.00 34.21 C ATOM 821 CG1 ILE A 54 23.792 -13.864 -21.035 1.00 53.22 C ATOM 822 CG2 ILE A 54 25.451 -12.968 -22.689 1.00 44.32 C ATOM 823 CD1 ILE A 54 23.215 -15.215 -20.675 1.00 61.24 C ATOM 0 H ILE A 54 21.628 -14.586 -23.201 1.00 62.12 H new ATOM 0 HA ILE A 54 22.966 -11.968 -22.948 1.00 14.45 H new ATOM 0 HB ILE A 54 24.265 -14.722 -22.939 1.00 34.21 H new ATOM 0 HG12 ILE A 54 24.689 -13.691 -20.440 1.00 53.22 H new ATOM 0 HG13 ILE A 54 23.075 -13.088 -20.765 1.00 53.22 H new ATOM 0 HG21 ILE A 54 26.244 -13.487 -22.150 1.00 44.32 H new ATOM 0 HG22 ILE A 54 25.705 -12.916 -23.748 1.00 44.32 H new ATOM 0 HG23 ILE A 54 25.343 -11.959 -22.292 1.00 44.32 H new ATOM 0 HD11 ILE A 54 22.990 -15.242 -19.609 1.00 61.24 H new ATOM 0 HD12 ILE A 54 22.300 -15.383 -21.243 1.00 61.24 H new ATOM 0 HD13 ILE A 54 23.938 -15.995 -20.913 1.00 61.24 H new ATOM 835 N ASP A 55 22.746 -12.096 -25.503 1.00 1.13 N ATOM 836 CA ASP A 55 22.946 -12.028 -26.946 1.00 34.13 C ATOM 837 C ASP A 55 22.435 -13.295 -27.625 1.00 23.21 C ATOM 838 O ASP A 55 23.139 -14.302 -27.693 1.00 44.31 O ATOM 839 CB ASP A 55 24.426 -11.823 -27.268 1.00 44.43 C ATOM 840 CG ASP A 55 24.749 -10.383 -27.617 1.00 54.14 C ATOM 841 OD1 ASP A 55 24.175 -9.868 -28.600 1.00 12.41 O ATOM 842 OD2 ASP A 55 25.574 -9.771 -26.908 1.00 33.25 O ATOM 0 H ASP A 55 22.160 -11.353 -25.123 1.00 1.13 H new ATOM 0 HA ASP A 55 22.379 -11.179 -27.327 1.00 34.13 H new ATOM 0 HB2 ASP A 55 25.027 -12.130 -26.412 1.00 44.43 H new ATOM 0 HB3 ASP A 55 24.706 -12.467 -28.101 1.00 44.43 H new ATOM 847 N GLY A 56 21.205 -13.238 -28.125 1.00 73.14 N ATOM 848 CA GLY A 56 20.621 -14.388 -28.791 1.00 53.43 C ATOM 849 C GLY A 56 19.784 -15.237 -27.855 1.00 52.32 C ATOM 850 O GLY A 56 20.108 -15.376 -26.676 1.00 20.13 O ATOM 0 H GLY A 56 20.602 -12.416 -28.081 1.00 73.14 H new ATOM 0 HA2 GLY A 56 20.001 -14.048 -29.620 1.00 53.43 H new ATOM 0 HA3 GLY A 56 21.416 -14.999 -29.218 1.00 53.43 H new ATOM 854 N ASP A 57 18.704 -15.804 -28.380 1.00 75.03 N ATOM 855 CA ASP A 57 17.817 -16.644 -27.583 1.00 53.42 C ATOM 856 C ASP A 57 18.478 -17.980 -27.261 1.00 0.13 C ATOM 857 O ASP A 57 18.824 -18.746 -28.159 1.00 43.53 O ATOM 858 CB ASP A 57 16.499 -16.878 -28.324 1.00 2.11 C ATOM 859 CG ASP A 57 16.712 -17.306 -29.763 1.00 0.43 C ATOM 860 OD1 ASP A 57 16.936 -16.423 -30.617 1.00 2.34 O ATOM 861 OD2 ASP A 57 16.654 -18.523 -30.035 1.00 34.20 O ATOM 0 H ASP A 57 18.421 -15.697 -29.354 1.00 75.03 H new ATOM 0 HA ASP A 57 17.611 -16.126 -26.646 1.00 53.42 H new ATOM 0 HB2 ASP A 57 15.923 -17.642 -27.802 1.00 2.11 H new ATOM 0 HB3 ASP A 57 15.907 -15.963 -28.304 1.00 2.11 H new ATOM 866 N GLY A 58 18.651 -18.253 -25.971 1.00 22.00 N ATOM 867 CA GLY A 58 19.272 -19.496 -25.553 1.00 34.52 C ATOM 868 C GLY A 58 18.902 -19.881 -24.134 1.00 14.41 C ATOM 869 O GLY A 58 17.884 -20.534 -23.907 1.00 72.11 O ATOM 0 H GLY A 58 18.372 -17.636 -25.209 1.00 22.00 H new ATOM 0 HA2 GLY A 58 18.973 -20.294 -26.232 1.00 34.52 H new ATOM 0 HA3 GLY A 58 20.355 -19.401 -25.630 1.00 34.52 H new ATOM 873 N GLN A 59 19.731 -19.475 -23.177 1.00 72.45 N ATOM 874 CA GLN A 59 19.486 -19.784 -21.774 1.00 12.24 C ATOM 875 C GLN A 59 19.551 -18.522 -20.920 1.00 11.14 C ATOM 876 O GLN A 59 20.371 -17.637 -21.163 1.00 40.41 O ATOM 877 CB GLN A 59 20.504 -20.808 -21.269 1.00 72.24 C ATOM 878 CG GLN A 59 20.033 -22.248 -21.397 1.00 54.23 C ATOM 879 CD GLN A 59 20.387 -23.088 -20.186 1.00 1.40 C ATOM 880 OE1 GLN A 59 19.706 -23.038 -19.161 1.00 61.53 O ATOM 881 NE2 GLN A 59 21.458 -23.865 -20.297 1.00 72.21 N ATOM 0 H GLN A 59 20.577 -18.932 -23.348 1.00 72.45 H new ATOM 0 HA GLN A 59 18.485 -20.207 -21.691 1.00 12.24 H new ATOM 0 HB2 GLN A 59 21.434 -20.688 -21.825 1.00 72.24 H new ATOM 0 HB3 GLN A 59 20.728 -20.599 -20.223 1.00 72.24 H new ATOM 0 HG2 GLN A 59 18.953 -22.261 -21.540 1.00 54.23 H new ATOM 0 HG3 GLN A 59 20.478 -22.694 -22.286 1.00 54.23 H new ATOM 0 HE21 GLN A 59 21.993 -23.875 -21.165 1.00 72.21 H new ATOM 0 HE22 GLN A 59 21.746 -24.452 -19.514 1.00 72.21 H new ATOM 890 N VAL A 60 18.681 -18.446 -19.918 1.00 13.34 N ATOM 891 CA VAL A 60 18.640 -17.292 -19.027 1.00 32.44 C ATOM 892 C VAL A 60 19.464 -17.540 -17.768 1.00 63.44 C ATOM 893 O VAL A 60 19.570 -18.671 -17.296 1.00 71.54 O ATOM 894 CB VAL A 60 17.195 -16.948 -18.620 1.00 54.14 C ATOM 895 CG1 VAL A 60 17.154 -15.635 -17.854 1.00 53.30 C ATOM 896 CG2 VAL A 60 16.297 -16.887 -19.847 1.00 70.01 C ATOM 0 H VAL A 60 17.995 -19.170 -19.703 1.00 13.34 H new ATOM 0 HA VAL A 60 19.065 -16.453 -19.577 1.00 32.44 H new ATOM 0 HB VAL A 60 16.823 -17.735 -17.964 1.00 54.14 H new ATOM 0 HG11 VAL A 60 16.125 -15.409 -17.575 1.00 53.30 H new ATOM 0 HG12 VAL A 60 17.764 -15.719 -16.954 1.00 53.30 H new ATOM 0 HG13 VAL A 60 17.544 -14.835 -18.483 1.00 53.30 H new ATOM 0 HG21 VAL A 60 15.280 -16.643 -19.541 1.00 70.01 H new ATOM 0 HG22 VAL A 60 16.665 -16.121 -20.529 1.00 70.01 H new ATOM 0 HG23 VAL A 60 16.303 -17.854 -20.350 1.00 70.01 H new ATOM 906 N ASN A 61 20.047 -16.474 -17.230 1.00 31.24 N ATOM 907 CA ASN A 61 20.863 -16.576 -16.025 1.00 52.11 C ATOM 908 C ASN A 61 20.105 -16.052 -14.809 1.00 1.01 C ATOM 909 O ASN A 61 19.253 -15.171 -14.927 1.00 45.34 O ATOM 910 CB ASN A 61 22.168 -15.797 -16.201 1.00 21.40 C ATOM 911 CG ASN A 61 23.027 -16.354 -17.320 1.00 52.23 C ATOM 912 OD1 ASN A 61 22.571 -17.172 -18.119 1.00 60.12 O ATOM 913 ND2 ASN A 61 24.277 -15.911 -17.382 1.00 63.14 N ATOM 0 H ASN A 61 19.970 -15.530 -17.609 1.00 31.24 H new ATOM 0 HA ASN A 61 21.095 -17.628 -15.861 1.00 52.11 H new ATOM 0 HB2 ASN A 61 21.939 -14.752 -16.408 1.00 21.40 H new ATOM 0 HB3 ASN A 61 22.731 -15.821 -15.268 1.00 21.40 H new ATOM 0 HD21 ASN A 61 24.902 -16.249 -18.114 1.00 63.14 H new ATOM 0 HD22 ASN A 61 24.612 -15.233 -16.698 1.00 63.14 H new ATOM 920 N TYR A 62 20.421 -16.600 -13.641 1.00 2.21 N ATOM 921 CA TYR A 62 19.769 -16.189 -12.403 1.00 25.42 C ATOM 922 C TYR A 62 19.877 -14.681 -12.205 1.00 2.53 C ATOM 923 O TYR A 62 18.883 -14.006 -11.939 1.00 74.43 O ATOM 924 CB TYR A 62 20.390 -16.917 -11.209 1.00 64.44 C ATOM 925 CG TYR A 62 19.984 -16.343 -9.871 1.00 54.13 C ATOM 926 CD1 TYR A 62 18.664 -15.989 -9.617 1.00 70.15 C ATOM 927 CD2 TYR A 62 20.918 -16.153 -8.861 1.00 44.13 C ATOM 928 CE1 TYR A 62 18.288 -15.463 -8.397 1.00 34.24 C ATOM 929 CE2 TYR A 62 20.551 -15.629 -7.637 1.00 71.20 C ATOM 930 CZ TYR A 62 19.235 -15.286 -7.410 1.00 15.34 C ATOM 931 OH TYR A 62 18.865 -14.762 -6.192 1.00 33.31 O ATOM 0 H TYR A 62 21.124 -17.330 -13.525 1.00 2.21 H new ATOM 0 HA TYR A 62 18.714 -16.453 -12.473 1.00 25.42 H new ATOM 0 HB2 TYR A 62 20.103 -17.968 -11.246 1.00 64.44 H new ATOM 0 HB3 TYR A 62 21.476 -16.880 -11.296 1.00 64.44 H new ATOM 0 HD1 TYR A 62 17.920 -16.128 -10.387 1.00 70.15 H new ATOM 0 HD2 TYR A 62 21.950 -16.420 -9.036 1.00 44.13 H new ATOM 0 HE1 TYR A 62 17.258 -15.192 -8.217 1.00 34.24 H new ATOM 0 HE2 TYR A 62 21.290 -15.489 -6.862 1.00 71.20 H new ATOM 0 HH TYR A 62 19.650 -14.703 -5.609 1.00 33.31 H new ATOM 941 N GLU A 63 21.093 -14.158 -12.336 1.00 74.24 N ATOM 942 CA GLU A 63 21.331 -12.729 -12.172 1.00 20.13 C ATOM 943 C GLU A 63 20.377 -11.915 -13.041 1.00 11.44 C ATOM 944 O GLU A 63 19.703 -11.005 -12.557 1.00 1.12 O ATOM 945 CB GLU A 63 22.780 -12.387 -12.527 1.00 15.03 C ATOM 946 CG GLU A 63 23.775 -12.750 -11.438 1.00 21.31 C ATOM 947 CD GLU A 63 25.119 -13.178 -11.995 1.00 71.13 C ATOM 948 OE1 GLU A 63 25.154 -14.153 -12.775 1.00 32.21 O ATOM 949 OE2 GLU A 63 26.135 -12.539 -11.652 1.00 50.31 O ATOM 0 H GLU A 63 21.927 -14.702 -12.555 1.00 74.24 H new ATOM 0 HA GLU A 63 21.150 -12.474 -11.128 1.00 20.13 H new ATOM 0 HB2 GLU A 63 23.053 -12.907 -13.445 1.00 15.03 H new ATOM 0 HB3 GLU A 63 22.853 -11.319 -12.732 1.00 15.03 H new ATOM 0 HG2 GLU A 63 23.915 -11.893 -10.779 1.00 21.31 H new ATOM 0 HG3 GLU A 63 23.364 -13.556 -10.830 1.00 21.31 H new ATOM 956 N ASP A 64 20.326 -12.248 -14.326 1.00 1.24 N ATOM 957 CA ASP A 64 19.455 -11.549 -15.263 1.00 11.41 C ATOM 958 C ASP A 64 18.023 -11.498 -14.739 1.00 51.34 C ATOM 959 O ASP A 64 17.413 -10.430 -14.672 1.00 71.43 O ATOM 960 CB ASP A 64 19.487 -12.233 -16.630 1.00 62.22 C ATOM 961 CG ASP A 64 20.709 -11.848 -17.442 1.00 34.33 C ATOM 962 OD1 ASP A 64 21.776 -12.464 -17.236 1.00 51.24 O ATOM 963 OD2 ASP A 64 20.597 -10.932 -18.283 1.00 21.24 O ATOM 0 H ASP A 64 20.878 -12.998 -14.742 1.00 1.24 H new ATOM 0 HA ASP A 64 19.821 -10.528 -15.368 1.00 11.41 H new ATOM 0 HB2 ASP A 64 19.472 -13.314 -16.492 1.00 62.22 H new ATOM 0 HB3 ASP A 64 18.587 -11.970 -17.186 1.00 62.22 H new ATOM 968 N PHE A 65 17.492 -12.659 -14.371 1.00 14.45 N ATOM 969 CA PHE A 65 16.130 -12.747 -13.855 1.00 4.00 C ATOM 970 C PHE A 65 15.945 -11.831 -12.649 1.00 1.21 C ATOM 971 O PHE A 65 14.834 -11.391 -12.354 1.00 33.54 O ATOM 972 CB PHE A 65 15.802 -14.190 -13.469 1.00 35.45 C ATOM 973 CG PHE A 65 14.329 -14.484 -13.447 1.00 33.51 C ATOM 974 CD1 PHE A 65 13.614 -14.596 -14.628 1.00 73.04 C ATOM 975 CD2 PHE A 65 13.659 -14.649 -12.245 1.00 3.31 C ATOM 976 CE1 PHE A 65 12.258 -14.867 -14.612 1.00 43.11 C ATOM 977 CE2 PHE A 65 12.304 -14.920 -12.222 1.00 63.14 C ATOM 978 CZ PHE A 65 11.603 -15.028 -13.407 1.00 73.13 C ATOM 0 H PHE A 65 17.983 -13.552 -14.420 1.00 14.45 H new ATOM 0 HA PHE A 65 15.448 -12.424 -14.642 1.00 4.00 H new ATOM 0 HB2 PHE A 65 16.289 -14.866 -14.172 1.00 35.45 H new ATOM 0 HB3 PHE A 65 16.221 -14.399 -12.485 1.00 35.45 H new ATOM 0 HD1 PHE A 65 14.122 -14.470 -15.573 1.00 73.04 H new ATOM 0 HD2 PHE A 65 14.202 -14.565 -11.315 1.00 3.31 H new ATOM 0 HE1 PHE A 65 11.712 -14.953 -15.540 1.00 43.11 H new ATOM 0 HE2 PHE A 65 11.794 -15.047 -11.279 1.00 63.14 H new ATOM 0 HZ PHE A 65 10.544 -15.238 -13.391 1.00 73.13 H new ATOM 988 N VAL A 66 17.043 -11.547 -11.955 1.00 34.14 N ATOM 989 CA VAL A 66 17.003 -10.683 -10.781 1.00 33.33 C ATOM 990 C VAL A 66 17.035 -9.212 -11.180 1.00 21.24 C ATOM 991 O VAL A 66 16.324 -8.388 -10.605 1.00 62.12 O ATOM 992 CB VAL A 66 18.180 -10.972 -9.831 1.00 22.32 C ATOM 993 CG1 VAL A 66 18.084 -10.109 -8.582 1.00 53.13 C ATOM 994 CG2 VAL A 66 18.220 -12.449 -9.466 1.00 41.33 C ATOM 0 H VAL A 66 17.971 -11.903 -12.186 1.00 34.14 H new ATOM 0 HA VAL A 66 16.068 -10.896 -10.263 1.00 33.33 H new ATOM 0 HB VAL A 66 19.108 -10.722 -10.345 1.00 22.32 H new ATOM 0 HG11 VAL A 66 18.924 -10.328 -7.923 1.00 53.13 H new ATOM 0 HG12 VAL A 66 18.109 -9.056 -8.864 1.00 53.13 H new ATOM 0 HG13 VAL A 66 17.150 -10.324 -8.062 1.00 53.13 H new ATOM 0 HG21 VAL A 66 19.058 -12.635 -8.794 1.00 41.33 H new ATOM 0 HG22 VAL A 66 17.289 -12.727 -8.971 1.00 41.33 H new ATOM 0 HG23 VAL A 66 18.341 -13.044 -10.371 1.00 41.33 H new ATOM 1004 N GLN A 67 17.864 -8.891 -12.167 1.00 43.33 N ATOM 1005 CA GLN A 67 17.989 -7.518 -12.643 1.00 22.01 C ATOM 1006 C GLN A 67 16.653 -6.999 -13.164 1.00 2.32 C ATOM 1007 O GLN A 67 16.231 -5.893 -12.825 1.00 65.40 O ATOM 1008 CB GLN A 67 19.048 -7.432 -13.744 1.00 14.31 C ATOM 1009 CG GLN A 67 20.125 -6.394 -13.472 1.00 71.22 C ATOM 1010 CD GLN A 67 21.448 -6.741 -14.126 1.00 73.43 C ATOM 1011 OE1 GLN A 67 22.432 -7.032 -13.446 1.00 44.33 O ATOM 1012 NE2 GLN A 67 21.478 -6.713 -15.454 1.00 34.54 N ATOM 0 H GLN A 67 18.459 -9.562 -12.653 1.00 43.33 H new ATOM 0 HA GLN A 67 18.297 -6.895 -11.803 1.00 22.01 H new ATOM 0 HB2 GLN A 67 19.518 -8.409 -13.862 1.00 14.31 H new ATOM 0 HB3 GLN A 67 18.559 -7.197 -14.689 1.00 14.31 H new ATOM 0 HG2 GLN A 67 19.788 -5.423 -13.835 1.00 71.22 H new ATOM 0 HG3 GLN A 67 20.270 -6.299 -12.396 1.00 71.22 H new ATOM 0 HE21 GLN A 67 20.638 -6.466 -15.978 1.00 34.54 H new ATOM 0 HE22 GLN A 67 22.341 -6.938 -15.949 1.00 34.54 H new ATOM 1021 N MET A 68 15.992 -7.804 -13.989 1.00 43.44 N ATOM 1022 CA MET A 68 14.703 -7.425 -14.556 1.00 42.13 C ATOM 1023 C MET A 68 13.624 -7.394 -13.479 1.00 74.01 C ATOM 1024 O MET A 68 12.883 -6.418 -13.357 1.00 65.41 O ATOM 1025 CB MET A 68 14.304 -8.399 -15.667 1.00 4.32 C ATOM 1026 CG MET A 68 15.097 -8.214 -16.950 1.00 64.34 C ATOM 1027 SD MET A 68 14.715 -6.663 -17.786 1.00 72.24 S ATOM 1028 CE MET A 68 15.301 -7.017 -19.442 1.00 34.34 C ATOM 0 H MET A 68 16.327 -8.722 -14.280 1.00 43.44 H new ATOM 0 HA MET A 68 14.799 -6.424 -14.978 1.00 42.13 H new ATOM 0 HB2 MET A 68 14.439 -9.420 -15.310 1.00 4.32 H new ATOM 0 HB3 MET A 68 13.243 -8.275 -15.884 1.00 4.32 H new ATOM 0 HG2 MET A 68 16.162 -8.246 -16.722 1.00 64.34 H new ATOM 0 HG3 MET A 68 14.890 -9.046 -17.623 1.00 64.34 H new ATOM 0 HE1 MET A 68 15.134 -6.150 -20.080 1.00 34.34 H new ATOM 0 HE2 MET A 68 16.367 -7.244 -19.410 1.00 34.34 H new ATOM 0 HE3 MET A 68 14.760 -7.873 -19.844 1.00 34.34 H new ATOM 1038 N MET A 69 13.540 -8.468 -12.701 1.00 13.03 N ATOM 1039 CA MET A 69 12.551 -8.562 -11.633 1.00 75.23 C ATOM 1040 C MET A 69 12.666 -7.378 -10.679 1.00 51.21 C ATOM 1041 O MET A 69 11.663 -6.769 -10.304 1.00 42.10 O ATOM 1042 CB MET A 69 12.724 -9.872 -10.862 1.00 62.12 C ATOM 1043 CG MET A 69 12.069 -11.066 -11.538 1.00 25.24 C ATOM 1044 SD MET A 69 10.269 -10.972 -11.522 1.00 31.23 S ATOM 1045 CE MET A 69 9.874 -11.787 -13.067 1.00 53.10 C ATOM 0 H MET A 69 14.144 -9.285 -12.790 1.00 13.03 H new ATOM 0 HA MET A 69 11.560 -8.544 -12.087 1.00 75.23 H new ATOM 0 HB2 MET A 69 13.788 -10.073 -10.738 1.00 62.12 H new ATOM 0 HB3 MET A 69 12.304 -9.755 -9.863 1.00 62.12 H new ATOM 0 HG2 MET A 69 12.416 -11.130 -12.569 1.00 25.24 H new ATOM 0 HG3 MET A 69 12.386 -11.981 -11.037 1.00 25.24 H new ATOM 0 HE1 MET A 69 8.948 -11.376 -13.469 1.00 53.10 H new ATOM 0 HE2 MET A 69 10.682 -11.626 -13.780 1.00 53.10 H new ATOM 0 HE3 MET A 69 9.751 -12.856 -12.893 1.00 53.10 H new ATOM 1055 N THR A 70 13.895 -7.055 -10.289 1.00 22.44 N ATOM 1056 CA THR A 70 14.141 -5.945 -9.377 1.00 61.11 C ATOM 1057 C THR A 70 13.947 -4.605 -10.078 1.00 33.33 C ATOM 1058 O THR A 70 13.444 -3.651 -9.485 1.00 23.35 O ATOM 1059 CB THR A 70 15.565 -6.004 -8.792 1.00 14.34 C ATOM 1060 OG1 THR A 70 15.816 -7.302 -8.243 1.00 72.44 O ATOM 1061 CG2 THR A 70 15.750 -4.948 -7.712 1.00 52.45 C ATOM 0 H THR A 70 14.736 -7.547 -10.591 1.00 22.44 H new ATOM 0 HA THR A 70 13.419 -6.036 -8.566 1.00 61.11 H new ATOM 0 HB THR A 70 16.273 -5.807 -9.597 1.00 14.34 H new ATOM 0 HG1 THR A 70 16.265 -7.859 -8.913 1.00 72.44 H new ATOM 0 HG21 THR A 70 16.763 -5.009 -7.314 1.00 52.45 H new ATOM 0 HG22 THR A 70 15.587 -3.958 -8.139 1.00 52.45 H new ATOM 0 HG23 THR A 70 15.033 -5.119 -6.909 1.00 52.45 H new ATOM 1069 N ALA A 71 14.347 -4.541 -11.343 1.00 43.12 N ATOM 1070 CA ALA A 71 14.214 -3.318 -12.125 1.00 63.13 C ATOM 1071 C ALA A 71 12.783 -2.793 -12.083 1.00 44.54 C ATOM 1072 O ALA A 71 12.552 -1.609 -11.834 1.00 64.20 O ATOM 1073 CB ALA A 71 14.647 -3.562 -13.563 1.00 43.44 C ATOM 0 H ALA A 71 14.766 -5.322 -11.849 1.00 43.12 H new ATOM 0 HA ALA A 71 14.864 -2.562 -11.685 1.00 63.13 H new ATOM 0 HB1 ALA A 71 14.543 -2.641 -14.136 1.00 43.44 H new ATOM 0 HB2 ALA A 71 15.688 -3.884 -13.580 1.00 43.44 H new ATOM 0 HB3 ALA A 71 14.021 -4.337 -14.005 1.00 43.44 H new ATOM 1079 N LYS A 72 11.825 -3.679 -12.330 1.00 30.23 N ATOM 1080 CA LYS A 72 10.416 -3.306 -12.320 1.00 14.22 C ATOM 1081 C LYS A 72 9.928 -3.058 -10.896 1.00 4.02 C ATOM 1082 O LYS A 72 10.623 -2.392 -10.130 1.00 10.13 O ATOM 1083 CB LYS A 72 9.572 -4.401 -12.975 1.00 71.54 C ATOM 1084 CG LYS A 72 8.706 -3.900 -14.118 1.00 34.31 C ATOM 1085 CD LYS A 72 9.334 -4.203 -15.468 1.00 52.31 C ATOM 1086 CE LYS A 72 9.412 -2.957 -16.338 1.00 24.23 C ATOM 1087 NZ LYS A 72 10.658 -2.181 -16.084 1.00 32.31 N ATOM 0 H LYS A 72 11.999 -4.662 -12.540 1.00 30.23 H new ATOM 0 HA LYS A 72 10.307 -2.383 -12.889 1.00 14.22 H new ATOM 0 HB2 LYS A 72 10.233 -5.184 -13.347 1.00 71.54 H new ATOM 0 HB3 LYS A 72 8.933 -4.857 -12.219 1.00 71.54 H new ATOM 0 HG2 LYS A 72 7.722 -4.365 -14.061 1.00 34.31 H new ATOM 0 HG3 LYS A 72 8.557 -2.825 -14.018 1.00 34.31 H new ATOM 0 HD2 LYS A 72 10.335 -4.610 -15.322 1.00 52.31 H new ATOM 0 HD3 LYS A 72 8.750 -4.969 -15.979 1.00 52.31 H new ATOM 0 HE2 LYS A 72 9.371 -3.244 -17.389 1.00 24.23 H new ATOM 0 HE3 LYS A 72 8.545 -2.325 -16.146 1.00 24.23 H new ATOM 0 HZ1 LYS A 72 10.674 -1.340 -16.696 1.00 32.31 H new ATOM 0 HZ2 LYS A 72 10.686 -1.885 -15.087 1.00 32.31 H new ATOM 0 HZ3 LYS A 72 11.486 -2.776 -16.291 1.00 32.31 H new TER 1101 LYS A 72