USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=12 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 33 MET CE :methyl -157:sc= -1.41 (180deg=-1.94) USER MOD Set 1.2: A 48 MET CE :methyl 167:sc= -0.134 (180deg=-0.713) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0331 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= -0.036 K(o=-0.036,f=-3.6!) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 73:sc= 1.21 USER MOD Single : A 35 ASN : amide:sc= -0.433 K(o=-0.43,f=-1.9) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -77:sc= 0.163 USER MOD Single : A 59 GLN :FLIP amide:sc= 0 F(o=-0.61,f=0) USER MOD Single : A 61 ASN : amide:sc=-0.00579 X(o=-0.0058,f=-0.4) USER MOD Single : A 62 TYR OH : rot -130:sc= -1.6 USER MOD Single : A 67 GLN : amide:sc= -0.0468 K(o=-0.047,f=-3.4!) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl -142:sc=-0.00901 (180deg=-0.315) USER MOD Single : A 70 THR OG1 : rot 66:sc= 0.245 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.004 -10.839 7.189 1.00 62.02 N ATOM 2 CA MET A 1 8.640 -12.245 7.321 1.00 12.13 C ATOM 3 C MET A 1 7.589 -12.634 6.287 1.00 53.13 C ATOM 4 O MET A 1 7.797 -13.549 5.490 1.00 44.11 O ATOM 5 CB MET A 1 8.114 -12.527 8.730 1.00 4.12 C ATOM 6 CG MET A 1 8.490 -13.903 9.255 1.00 70.44 C ATOM 7 SD MET A 1 8.815 -13.906 11.028 1.00 32.22 S ATOM 8 CE MET A 1 7.148 -13.995 11.677 1.00 31.35 C ATOM 0 H1 MET A 1 9.721 -10.597 7.903 1.00 62.02 H new ATOM 0 H2 MET A 1 9.391 -10.668 6.239 1.00 62.02 H new ATOM 0 H3 MET A 1 8.161 -10.247 7.331 1.00 62.02 H new ATOM 0 HA MET A 1 9.534 -12.844 7.147 1.00 12.13 H new ATOM 0 HB2 MET A 1 8.500 -11.769 9.412 1.00 4.12 H new ATOM 0 HB3 MET A 1 7.028 -12.432 8.729 1.00 4.12 H new ATOM 0 HG2 MET A 1 7.684 -14.604 9.036 1.00 70.44 H new ATOM 0 HG3 MET A 1 9.374 -14.260 8.727 1.00 70.44 H new ATOM 0 HE1 MET A 1 7.182 -14.005 12.766 1.00 31.35 H new ATOM 0 HE2 MET A 1 6.579 -13.128 11.340 1.00 31.35 H new ATOM 0 HE3 MET A 1 6.667 -14.906 11.321 1.00 31.35 H new ATOM 18 N ASP A 2 6.460 -11.934 6.305 1.00 73.00 N ATOM 19 CA ASP A 2 5.376 -12.206 5.368 1.00 62.14 C ATOM 20 C ASP A 2 5.464 -11.286 4.154 1.00 71.22 C ATOM 21 O ASP A 2 5.037 -11.646 3.056 1.00 43.31 O ATOM 22 CB ASP A 2 4.022 -12.034 6.057 1.00 53.12 C ATOM 23 CG ASP A 2 3.632 -13.247 6.879 1.00 2.40 C ATOM 24 OD1 ASP A 2 4.278 -13.490 7.920 1.00 50.44 O ATOM 25 OD2 ASP A 2 2.682 -13.953 6.481 1.00 20.24 O ATOM 0 H ASP A 2 6.272 -11.174 6.958 1.00 73.00 H new ATOM 0 HA ASP A 2 5.473 -13.237 5.028 1.00 62.14 H new ATOM 0 HB2 ASP A 2 4.055 -11.157 6.703 1.00 53.12 H new ATOM 0 HB3 ASP A 2 3.256 -11.847 5.305 1.00 53.12 H new ATOM 30 N THR A 3 6.019 -10.096 4.359 1.00 42.33 N ATOM 31 CA THR A 3 6.161 -9.123 3.283 1.00 71.14 C ATOM 32 C THR A 3 7.340 -9.469 2.381 1.00 41.14 C ATOM 33 O THR A 3 8.455 -9.685 2.856 1.00 0.00 O ATOM 34 CB THR A 3 6.352 -7.698 3.835 1.00 43.00 C ATOM 35 OG1 THR A 3 5.845 -7.618 5.172 1.00 60.53 O ATOM 36 CG2 THR A 3 5.644 -6.678 2.957 1.00 51.42 C ATOM 0 H THR A 3 6.378 -9.783 5.261 1.00 42.33 H new ATOM 0 HA THR A 3 5.240 -9.158 2.702 1.00 71.14 H new ATOM 0 HB THR A 3 7.419 -7.473 3.838 1.00 43.00 H new ATOM 0 HG1 THR A 3 5.972 -6.709 5.516 1.00 60.53 H new ATOM 0 HG21 THR A 3 5.793 -5.679 3.367 1.00 51.42 H new ATOM 0 HG22 THR A 3 6.053 -6.721 1.948 1.00 51.42 H new ATOM 0 HG23 THR A 3 4.578 -6.902 2.926 1.00 51.42 H new ATOM 44 N ASP A 4 7.087 -9.519 1.077 1.00 3.15 N ATOM 45 CA ASP A 4 8.129 -9.837 0.108 1.00 4.11 C ATOM 46 C ASP A 4 7.581 -9.790 -1.315 1.00 11.34 C ATOM 47 O ASP A 4 6.523 -10.350 -1.601 1.00 40.15 O ATOM 48 CB ASP A 4 8.718 -11.219 0.395 1.00 4.14 C ATOM 49 CG ASP A 4 7.656 -12.237 0.759 1.00 75.02 C ATOM 50 OD1 ASP A 4 6.832 -12.575 -0.118 1.00 5.20 O ATOM 51 OD2 ASP A 4 7.647 -12.697 1.920 1.00 42.24 O ATOM 0 H ASP A 4 6.170 -9.343 0.667 1.00 3.15 H new ATOM 0 HA ASP A 4 8.916 -9.089 0.200 1.00 4.11 H new ATOM 0 HB2 ASP A 4 9.265 -11.567 -0.481 1.00 4.14 H new ATOM 0 HB3 ASP A 4 9.438 -11.142 1.210 1.00 4.14 H new ATOM 56 N SER A 5 8.307 -9.117 -2.201 1.00 40.44 N ATOM 57 CA SER A 5 7.891 -8.992 -3.593 1.00 53.13 C ATOM 58 C SER A 5 9.061 -9.254 -4.536 1.00 23.40 C ATOM 59 O SER A 5 8.928 -9.982 -5.519 1.00 63.12 O ATOM 60 CB SER A 5 7.315 -7.598 -3.853 1.00 30.44 C ATOM 61 OG SER A 5 6.103 -7.675 -4.584 1.00 25.23 O ATOM 0 H SER A 5 9.186 -8.650 -1.980 1.00 40.44 H new ATOM 0 HA SER A 5 7.119 -9.738 -3.783 1.00 53.13 H new ATOM 0 HB2 SER A 5 7.139 -7.091 -2.904 1.00 30.44 H new ATOM 0 HB3 SER A 5 8.039 -6.999 -4.405 1.00 30.44 H new ATOM 0 HG SER A 5 5.754 -6.772 -4.736 1.00 25.23 H new ATOM 67 N GLU A 6 10.207 -8.656 -4.227 1.00 43.43 N ATOM 68 CA GLU A 6 11.401 -8.824 -5.047 1.00 43.13 C ATOM 69 C GLU A 6 12.241 -9.997 -4.551 1.00 63.31 C ATOM 70 O GLU A 6 12.853 -10.714 -5.342 1.00 43.45 O ATOM 71 CB GLU A 6 12.238 -7.543 -5.038 1.00 24.15 C ATOM 72 CG GLU A 6 13.505 -7.638 -5.871 1.00 4.41 C ATOM 73 CD GLU A 6 14.036 -6.278 -6.282 1.00 52.13 C ATOM 74 OE1 GLU A 6 13.215 -5.361 -6.494 1.00 52.15 O ATOM 75 OE2 GLU A 6 15.271 -6.131 -6.392 1.00 51.43 O ATOM 0 H GLU A 6 10.334 -8.051 -3.415 1.00 43.43 H new ATOM 0 HA GLU A 6 11.082 -9.034 -6.068 1.00 43.13 H new ATOM 0 HB2 GLU A 6 11.629 -6.719 -5.410 1.00 24.15 H new ATOM 0 HB3 GLU A 6 12.507 -7.302 -4.010 1.00 24.15 H new ATOM 0 HG2 GLU A 6 14.270 -8.166 -5.302 1.00 4.41 H new ATOM 0 HG3 GLU A 6 13.305 -8.231 -6.764 1.00 4.41 H new ATOM 82 N GLU A 7 12.265 -10.186 -3.235 1.00 41.13 N ATOM 83 CA GLU A 7 13.031 -11.271 -2.634 1.00 31.14 C ATOM 84 C GLU A 7 12.312 -12.606 -2.807 1.00 51.23 C ATOM 85 O GLU A 7 12.942 -13.662 -2.839 1.00 24.02 O ATOM 86 CB GLU A 7 13.266 -10.996 -1.147 1.00 2.30 C ATOM 87 CG GLU A 7 14.346 -11.868 -0.530 1.00 21.52 C ATOM 88 CD GLU A 7 15.725 -11.246 -0.626 1.00 43.31 C ATOM 89 OE1 GLU A 7 15.939 -10.417 -1.536 1.00 22.21 O ATOM 90 OE2 GLU A 7 16.590 -11.586 0.207 1.00 23.54 O ATOM 0 H GLU A 7 11.763 -9.602 -2.566 1.00 41.13 H new ATOM 0 HA GLU A 7 13.993 -11.327 -3.143 1.00 31.14 H new ATOM 0 HB2 GLU A 7 13.539 -9.949 -1.019 1.00 2.30 H new ATOM 0 HB3 GLU A 7 12.333 -11.151 -0.606 1.00 2.30 H new ATOM 0 HG2 GLU A 7 14.106 -12.050 0.518 1.00 21.52 H new ATOM 0 HG3 GLU A 7 14.354 -12.837 -1.028 1.00 21.52 H new ATOM 97 N GLU A 8 10.988 -12.548 -2.919 1.00 24.43 N ATOM 98 CA GLU A 8 10.184 -13.753 -3.088 1.00 12.44 C ATOM 99 C GLU A 8 10.515 -14.448 -4.405 1.00 23.22 C ATOM 100 O GLU A 8 10.161 -15.609 -4.612 1.00 73.10 O ATOM 101 CB GLU A 8 8.694 -13.408 -3.041 1.00 53.23 C ATOM 102 CG GLU A 8 8.222 -12.586 -4.229 1.00 72.43 C ATOM 103 CD GLU A 8 7.395 -13.397 -5.208 1.00 35.44 C ATOM 104 OE1 GLU A 8 7.935 -14.368 -5.778 1.00 71.04 O ATOM 105 OE2 GLU A 8 6.208 -13.062 -5.403 1.00 13.13 O ATOM 0 H GLU A 8 10.451 -11.681 -2.896 1.00 24.43 H new ATOM 0 HA GLU A 8 10.419 -14.434 -2.270 1.00 12.44 H new ATOM 0 HB2 GLU A 8 8.117 -14.332 -2.997 1.00 53.23 H new ATOM 0 HB3 GLU A 8 8.486 -12.858 -2.123 1.00 53.23 H new ATOM 0 HG2 GLU A 8 7.631 -11.743 -3.871 1.00 72.43 H new ATOM 0 HG3 GLU A 8 9.087 -12.172 -4.746 1.00 72.43 H new ATOM 112 N ILE A 9 11.197 -13.730 -5.291 1.00 73.10 N ATOM 113 CA ILE A 9 11.576 -14.278 -6.587 1.00 45.13 C ATOM 114 C ILE A 9 12.852 -15.107 -6.481 1.00 74.43 C ATOM 115 O ILE A 9 12.972 -16.162 -7.105 1.00 52.01 O ATOM 116 CB ILE A 9 11.788 -13.164 -7.629 1.00 55.43 C ATOM 117 CG1 ILE A 9 10.517 -12.324 -7.774 1.00 51.35 C ATOM 118 CG2 ILE A 9 12.190 -13.761 -8.969 1.00 41.14 C ATOM 119 CD1 ILE A 9 10.700 -11.095 -8.637 1.00 41.23 C ATOM 0 H ILE A 9 11.498 -12.768 -5.135 1.00 73.10 H new ATOM 0 HA ILE A 9 10.755 -14.917 -6.912 1.00 45.13 H new ATOM 0 HB ILE A 9 12.594 -12.515 -7.287 1.00 55.43 H new ATOM 0 HG12 ILE A 9 9.728 -12.944 -8.201 1.00 51.35 H new ATOM 0 HG13 ILE A 9 10.180 -12.016 -6.784 1.00 51.35 H new ATOM 0 HG21 ILE A 9 12.336 -12.961 -9.695 1.00 41.14 H new ATOM 0 HG22 ILE A 9 13.118 -14.321 -8.854 1.00 41.14 H new ATOM 0 HG23 ILE A 9 11.404 -14.430 -9.320 1.00 41.14 H new ATOM 0 HD11 ILE A 9 9.759 -10.548 -8.695 1.00 41.23 H new ATOM 0 HD12 ILE A 9 11.466 -10.454 -8.200 1.00 41.23 H new ATOM 0 HD13 ILE A 9 11.007 -11.396 -9.638 1.00 41.23 H new ATOM 131 N ARG A 10 13.801 -14.625 -5.686 1.00 54.30 N ATOM 132 CA ARG A 10 15.067 -15.322 -5.497 1.00 41.14 C ATOM 133 C ARG A 10 14.833 -16.780 -5.113 1.00 50.01 C ATOM 134 O ARG A 10 15.509 -17.679 -5.612 1.00 4.15 O ATOM 135 CB ARG A 10 15.901 -14.627 -4.419 1.00 53.24 C ATOM 136 CG ARG A 10 17.085 -15.450 -3.940 1.00 43.14 C ATOM 137 CD ARG A 10 18.200 -14.564 -3.406 1.00 53.10 C ATOM 138 NE ARG A 10 18.756 -15.078 -2.157 1.00 44.35 N ATOM 139 CZ ARG A 10 19.929 -14.697 -1.664 1.00 45.32 C ATOM 140 NH1 ARG A 10 20.665 -13.803 -2.310 1.00 43.13 N ATOM 141 NH2 ARG A 10 20.368 -15.210 -0.522 1.00 4.21 N ATOM 0 H ARG A 10 13.717 -13.754 -5.162 1.00 54.30 H new ATOM 0 HA ARG A 10 15.612 -15.296 -6.441 1.00 41.14 H new ATOM 0 HB2 ARG A 10 16.264 -13.676 -4.809 1.00 53.24 H new ATOM 0 HB3 ARG A 10 15.260 -14.398 -3.567 1.00 53.24 H new ATOM 0 HG2 ARG A 10 16.760 -16.137 -3.159 1.00 43.14 H new ATOM 0 HG3 ARG A 10 17.464 -16.057 -4.762 1.00 43.14 H new ATOM 0 HD2 ARG A 10 18.992 -14.489 -4.151 1.00 53.10 H new ATOM 0 HD3 ARG A 10 17.817 -13.556 -3.245 1.00 53.10 H new ATOM 0 HE ARG A 10 18.214 -15.767 -1.635 1.00 44.35 H new ATOM 0 HH11 ARG A 10 20.331 -13.406 -3.188 1.00 43.13 H new ATOM 0 HH12 ARG A 10 21.565 -13.512 -1.929 1.00 43.13 H new ATOM 0 HH21 ARG A 10 19.805 -15.898 -0.022 1.00 4.21 H new ATOM 0 HH22 ARG A 10 21.269 -14.917 -0.144 1.00 4.21 H new ATOM 155 N GLU A 11 13.871 -17.005 -4.224 1.00 20.24 N ATOM 156 CA GLU A 11 13.550 -18.354 -3.772 1.00 55.11 C ATOM 157 C GLU A 11 12.656 -19.068 -4.783 1.00 3.52 C ATOM 158 O GLU A 11 12.635 -20.296 -4.849 1.00 73.13 O ATOM 159 CB GLU A 11 12.859 -18.308 -2.408 1.00 14.24 C ATOM 160 CG GLU A 11 13.789 -17.933 -1.267 1.00 2.44 C ATOM 161 CD GLU A 11 14.468 -19.139 -0.647 1.00 1.41 C ATOM 162 OE1 GLU A 11 15.554 -19.522 -1.129 1.00 5.51 O ATOM 163 OE2 GLU A 11 13.912 -19.699 0.321 1.00 63.31 O ATOM 0 H GLU A 11 13.301 -16.272 -3.803 1.00 20.24 H new ATOM 0 HA GLU A 11 14.483 -18.910 -3.680 1.00 55.11 H new ATOM 0 HB2 GLU A 11 12.040 -17.590 -2.449 1.00 14.24 H new ATOM 0 HB3 GLU A 11 12.418 -19.283 -2.201 1.00 14.24 H new ATOM 0 HG2 GLU A 11 14.548 -17.242 -1.634 1.00 2.44 H new ATOM 0 HG3 GLU A 11 13.222 -17.406 -0.500 1.00 2.44 H new ATOM 170 N ALA A 12 11.920 -18.287 -5.567 1.00 60.44 N ATOM 171 CA ALA A 12 11.026 -18.844 -6.576 1.00 1.45 C ATOM 172 C ALA A 12 11.809 -19.579 -7.658 1.00 21.33 C ATOM 173 O ALA A 12 11.395 -20.641 -8.125 1.00 0.53 O ATOM 174 CB ALA A 12 10.176 -17.743 -7.192 1.00 42.34 C ATOM 0 H ALA A 12 11.925 -17.268 -5.523 1.00 60.44 H new ATOM 0 HA ALA A 12 10.370 -19.564 -6.087 1.00 1.45 H new ATOM 0 HB1 ALA A 12 9.513 -18.172 -7.943 1.00 42.34 H new ATOM 0 HB2 ALA A 12 9.581 -17.265 -6.414 1.00 42.34 H new ATOM 0 HB3 ALA A 12 10.824 -17.002 -7.660 1.00 42.34 H new ATOM 180 N PHE A 13 12.942 -19.009 -8.053 1.00 42.51 N ATOM 181 CA PHE A 13 13.783 -19.610 -9.082 1.00 55.32 C ATOM 182 C PHE A 13 14.710 -20.661 -8.481 1.00 24.31 C ATOM 183 O PHE A 13 15.232 -21.522 -9.190 1.00 23.13 O ATOM 184 CB PHE A 13 14.606 -18.533 -9.792 1.00 12.33 C ATOM 185 CG PHE A 13 13.925 -17.957 -11.000 1.00 52.42 C ATOM 186 CD1 PHE A 13 13.918 -18.646 -12.202 1.00 50.52 C ATOM 187 CD2 PHE A 13 13.292 -16.726 -10.934 1.00 52.21 C ATOM 188 CE1 PHE A 13 13.292 -18.118 -13.316 1.00 71.41 C ATOM 189 CE2 PHE A 13 12.664 -16.194 -12.044 1.00 52.14 C ATOM 190 CZ PHE A 13 12.665 -16.890 -13.237 1.00 71.52 C ATOM 0 H PHE A 13 13.300 -18.131 -7.676 1.00 42.51 H new ATOM 0 HA PHE A 13 13.133 -20.098 -9.808 1.00 55.32 H new ATOM 0 HB2 PHE A 13 14.821 -17.729 -9.088 1.00 12.33 H new ATOM 0 HB3 PHE A 13 15.563 -18.958 -10.093 1.00 12.33 H new ATOM 0 HD1 PHE A 13 14.407 -19.607 -12.270 1.00 50.52 H new ATOM 0 HD2 PHE A 13 13.289 -16.176 -10.004 1.00 52.21 H new ATOM 0 HE1 PHE A 13 13.293 -18.665 -14.247 1.00 71.41 H new ATOM 0 HE2 PHE A 13 12.173 -15.234 -11.979 1.00 52.14 H new ATOM 0 HZ PHE A 13 12.177 -16.475 -14.106 1.00 71.52 H new ATOM 200 N ARG A 14 14.911 -20.584 -7.169 1.00 62.15 N ATOM 201 CA ARG A 14 15.777 -21.527 -6.472 1.00 62.44 C ATOM 202 C ARG A 14 15.027 -22.816 -6.147 1.00 1.20 C ATOM 203 O ARG A 14 15.596 -23.907 -6.195 1.00 12.41 O ATOM 204 CB ARG A 14 16.318 -20.901 -5.186 1.00 3.11 C ATOM 205 CG ARG A 14 17.763 -20.442 -5.293 1.00 25.41 C ATOM 206 CD ARG A 14 18.149 -19.541 -4.130 1.00 64.05 C ATOM 207 NE ARG A 14 17.745 -20.103 -2.845 1.00 14.44 N ATOM 208 CZ ARG A 14 18.337 -21.149 -2.280 1.00 44.22 C ATOM 209 NH1 ARG A 14 19.356 -21.744 -2.885 1.00 43.31 N ATOM 210 NH2 ARG A 14 17.912 -21.602 -1.108 1.00 15.31 N ATOM 0 H ARG A 14 14.486 -19.878 -6.568 1.00 62.15 H new ATOM 0 HA ARG A 14 16.612 -21.769 -7.129 1.00 62.44 H new ATOM 0 HB2 ARG A 14 15.694 -20.049 -4.916 1.00 3.11 H new ATOM 0 HB3 ARG A 14 16.235 -21.626 -4.376 1.00 3.11 H new ATOM 0 HG2 ARG A 14 18.421 -21.311 -5.316 1.00 25.41 H new ATOM 0 HG3 ARG A 14 17.908 -19.908 -6.232 1.00 25.41 H new ATOM 0 HD2 ARG A 14 19.228 -19.386 -4.135 1.00 64.05 H new ATOM 0 HD3 ARG A 14 17.685 -18.563 -4.260 1.00 64.05 H new ATOM 0 HE ARG A 14 16.964 -19.668 -2.353 1.00 14.44 H new ATOM 0 HH11 ARG A 14 19.687 -21.398 -3.786 1.00 43.31 H new ATOM 0 HH12 ARG A 14 19.809 -22.547 -2.449 1.00 43.31 H new ATOM 0 HH21 ARG A 14 17.129 -21.147 -0.639 1.00 15.31 H new ATOM 0 HH22 ARG A 14 18.368 -22.406 -0.676 1.00 15.31 H new ATOM 224 N VAL A 15 13.747 -22.682 -5.815 1.00 51.44 N ATOM 225 CA VAL A 15 12.919 -23.834 -5.483 1.00 35.35 C ATOM 226 C VAL A 15 12.558 -24.631 -6.731 1.00 63.23 C ATOM 227 O VAL A 15 12.283 -25.829 -6.659 1.00 23.13 O ATOM 228 CB VAL A 15 11.623 -23.407 -4.768 1.00 54.32 C ATOM 229 CG1 VAL A 15 10.709 -24.604 -4.557 1.00 22.45 C ATOM 230 CG2 VAL A 15 11.943 -22.730 -3.444 1.00 41.43 C ATOM 0 H VAL A 15 13.261 -21.786 -5.769 1.00 51.44 H new ATOM 0 HA VAL A 15 13.506 -24.461 -4.812 1.00 35.35 H new ATOM 0 HB VAL A 15 11.100 -22.689 -5.400 1.00 54.32 H new ATOM 0 HG11 VAL A 15 9.799 -24.282 -4.051 1.00 22.45 H new ATOM 0 HG12 VAL A 15 10.452 -25.040 -5.522 1.00 22.45 H new ATOM 0 HG13 VAL A 15 11.220 -25.349 -3.947 1.00 22.45 H new ATOM 0 HG21 VAL A 15 11.016 -22.435 -2.953 1.00 41.43 H new ATOM 0 HG22 VAL A 15 12.489 -23.423 -2.803 1.00 41.43 H new ATOM 0 HG23 VAL A 15 12.554 -21.846 -3.626 1.00 41.43 H new ATOM 240 N PHE A 16 12.562 -23.958 -7.877 1.00 62.43 N ATOM 241 CA PHE A 16 12.235 -24.603 -9.144 1.00 23.54 C ATOM 242 C PHE A 16 13.352 -25.550 -9.576 1.00 54.41 C ATOM 243 O PHE A 16 13.112 -26.725 -9.851 1.00 33.51 O ATOM 244 CB PHE A 16 11.994 -23.552 -10.229 1.00 13.14 C ATOM 245 CG PHE A 16 10.544 -23.209 -10.419 1.00 11.14 C ATOM 246 CD1 PHE A 16 9.733 -22.939 -9.328 1.00 22.52 C ATOM 247 CD2 PHE A 16 9.991 -23.156 -11.688 1.00 65.33 C ATOM 248 CE1 PHE A 16 8.399 -22.623 -9.499 1.00 73.12 C ATOM 249 CE2 PHE A 16 8.658 -22.840 -11.866 1.00 32.12 C ATOM 250 CZ PHE A 16 7.860 -22.574 -10.770 1.00 22.40 C ATOM 0 H PHE A 16 12.788 -22.966 -7.955 1.00 62.43 H new ATOM 0 HA PHE A 16 11.324 -25.184 -9.003 1.00 23.54 H new ATOM 0 HB2 PHE A 16 12.543 -22.646 -9.974 1.00 13.14 H new ATOM 0 HB3 PHE A 16 12.400 -23.916 -11.173 1.00 13.14 H new ATOM 0 HD1 PHE A 16 10.149 -22.976 -8.332 1.00 22.52 H new ATOM 0 HD2 PHE A 16 10.609 -23.364 -12.549 1.00 65.33 H new ATOM 0 HE1 PHE A 16 7.778 -22.415 -8.640 1.00 73.12 H new ATOM 0 HE2 PHE A 16 8.240 -22.801 -12.861 1.00 32.12 H new ATOM 0 HZ PHE A 16 6.817 -22.328 -10.907 1.00 22.40 H new ATOM 260 N ASP A 17 14.572 -25.028 -9.635 1.00 13.45 N ATOM 261 CA ASP A 17 15.726 -25.825 -10.033 1.00 1.40 C ATOM 262 C ASP A 17 16.312 -26.568 -8.837 1.00 21.22 C ATOM 263 O ASP A 17 16.798 -25.954 -7.887 1.00 11.30 O ATOM 264 CB ASP A 17 16.794 -24.932 -10.668 1.00 21.53 C ATOM 265 CG ASP A 17 17.915 -25.733 -11.302 1.00 12.32 C ATOM 266 OD1 ASP A 17 17.619 -26.765 -11.939 1.00 22.23 O ATOM 267 OD2 ASP A 17 19.088 -25.327 -11.160 1.00 54.05 O ATOM 0 H ASP A 17 14.787 -24.056 -9.412 1.00 13.45 H new ATOM 0 HA ASP A 17 15.394 -26.560 -10.767 1.00 1.40 H new ATOM 0 HB2 ASP A 17 16.331 -24.298 -11.424 1.00 21.53 H new ATOM 0 HB3 ASP A 17 17.209 -24.270 -9.908 1.00 21.53 H new ATOM 272 N LYS A 18 16.262 -27.895 -8.889 1.00 51.00 N ATOM 273 CA LYS A 18 16.787 -28.724 -7.811 1.00 4.02 C ATOM 274 C LYS A 18 18.297 -28.550 -7.677 1.00 70.43 C ATOM 275 O LYS A 18 18.909 -27.774 -8.411 1.00 23.21 O ATOM 276 CB LYS A 18 16.453 -30.196 -8.062 1.00 71.02 C ATOM 277 CG LYS A 18 16.969 -30.719 -9.392 1.00 0.43 C ATOM 278 CD LYS A 18 16.497 -32.139 -9.654 1.00 11.12 C ATOM 279 CE LYS A 18 16.319 -32.401 -11.141 1.00 75.44 C ATOM 280 NZ LYS A 18 15.217 -33.368 -11.406 1.00 24.42 N ATOM 0 H LYS A 18 15.863 -28.420 -9.667 1.00 51.00 H new ATOM 0 HA LYS A 18 16.318 -28.405 -6.880 1.00 4.02 H new ATOM 0 HB2 LYS A 18 16.874 -30.798 -7.257 1.00 71.02 H new ATOM 0 HB3 LYS A 18 15.371 -30.326 -8.025 1.00 71.02 H new ATOM 0 HG2 LYS A 18 16.629 -30.067 -10.197 1.00 0.43 H new ATOM 0 HG3 LYS A 18 18.059 -30.690 -9.397 1.00 0.43 H new ATOM 0 HD2 LYS A 18 17.218 -32.845 -9.243 1.00 11.12 H new ATOM 0 HD3 LYS A 18 15.553 -32.311 -9.137 1.00 11.12 H new ATOM 0 HE2 LYS A 18 16.109 -31.462 -11.653 1.00 75.44 H new ATOM 0 HE3 LYS A 18 17.250 -32.788 -11.555 1.00 75.44 H new ATOM 0 HZ1 LYS A 18 15.128 -33.520 -12.431 1.00 24.42 H new ATOM 0 HZ2 LYS A 18 15.429 -34.273 -10.939 1.00 24.42 H new ATOM 0 HZ3 LYS A 18 14.324 -32.987 -11.033 1.00 24.42 H new ATOM 294 N ASP A 19 18.891 -29.279 -6.738 1.00 53.51 N ATOM 295 CA ASP A 19 20.329 -29.207 -6.511 1.00 4.25 C ATOM 296 C ASP A 19 20.751 -27.788 -6.141 1.00 30.11 C ATOM 297 O ASP A 19 21.893 -27.390 -6.367 1.00 30.32 O ATOM 298 CB ASP A 19 21.088 -29.670 -7.755 1.00 51.45 C ATOM 299 CG ASP A 19 20.638 -31.036 -8.233 1.00 31.31 C ATOM 300 OD1 ASP A 19 20.162 -31.831 -7.395 1.00 1.01 O ATOM 301 OD2 ASP A 19 20.761 -31.311 -9.445 1.00 14.03 O ATOM 0 H ASP A 19 18.399 -29.926 -6.122 1.00 53.51 H new ATOM 0 HA ASP A 19 20.573 -29.868 -5.679 1.00 4.25 H new ATOM 0 HB2 ASP A 19 20.946 -28.943 -8.555 1.00 51.45 H new ATOM 0 HB3 ASP A 19 22.155 -29.698 -7.536 1.00 51.45 H new ATOM 306 N GLY A 20 19.820 -27.029 -5.572 1.00 12.53 N ATOM 307 CA GLY A 20 20.114 -25.662 -5.181 1.00 72.12 C ATOM 308 C GLY A 20 19.963 -24.685 -6.331 1.00 23.45 C ATOM 309 O GLY A 20 19.395 -25.021 -7.368 1.00 74.15 O ATOM 0 H GLY A 20 18.867 -27.336 -5.375 1.00 12.53 H new ATOM 0 HA2 GLY A 20 19.449 -25.368 -4.369 1.00 72.12 H new ATOM 0 HA3 GLY A 20 21.132 -25.609 -4.794 1.00 72.12 H new ATOM 313 N ASN A 21 20.473 -23.472 -6.145 1.00 30.13 N ATOM 314 CA ASN A 21 20.390 -22.442 -7.174 1.00 63.42 C ATOM 315 C ASN A 21 21.011 -22.928 -8.480 1.00 65.03 C ATOM 316 O ASN A 21 21.712 -23.939 -8.509 1.00 4.44 O ATOM 317 CB ASN A 21 21.092 -21.166 -6.706 1.00 25.20 C ATOM 318 CG ASN A 21 20.734 -19.964 -7.557 1.00 40.53 C ATOM 319 OD1 ASN A 21 19.670 -19.922 -8.176 1.00 5.21 O ATOM 320 ND2 ASN A 21 21.623 -18.978 -7.593 1.00 1.34 N ATOM 0 H ASN A 21 20.948 -23.178 -5.291 1.00 30.13 H new ATOM 0 HA ASN A 21 19.337 -22.224 -7.351 1.00 63.42 H new ATOM 0 HB2 ASN A 21 20.823 -20.966 -5.669 1.00 25.20 H new ATOM 0 HB3 ASN A 21 22.171 -21.318 -6.732 1.00 25.20 H new ATOM 0 HD21 ASN A 21 21.437 -18.144 -8.149 1.00 1.34 H new ATOM 0 HD22 ASN A 21 22.492 -19.055 -7.064 1.00 1.34 H new ATOM 327 N GLY A 22 20.749 -22.199 -9.561 1.00 61.32 N ATOM 328 CA GLY A 22 21.290 -22.571 -10.856 1.00 11.24 C ATOM 329 C GLY A 22 20.556 -21.905 -12.003 1.00 63.51 C ATOM 330 O GLY A 22 19.776 -20.976 -11.795 1.00 3.14 O ATOM 0 H GLY A 22 20.172 -21.358 -9.563 1.00 61.32 H new ATOM 0 HA2 GLY A 22 22.345 -22.300 -10.897 1.00 11.24 H new ATOM 0 HA3 GLY A 22 21.234 -23.653 -10.972 1.00 11.24 H new ATOM 334 N TYR A 23 20.807 -22.380 -13.218 1.00 22.30 N ATOM 335 CA TYR A 23 20.168 -21.823 -14.404 1.00 12.53 C ATOM 336 C TYR A 23 18.978 -22.675 -14.833 1.00 70.42 C ATOM 337 O TYR A 23 19.005 -23.901 -14.717 1.00 15.03 O ATOM 338 CB TYR A 23 21.175 -21.718 -15.550 1.00 52.23 C ATOM 339 CG TYR A 23 22.519 -21.171 -15.127 1.00 65.01 C ATOM 340 CD1 TYR A 23 22.615 -19.981 -14.416 1.00 64.23 C ATOM 341 CD2 TYR A 23 23.694 -21.845 -15.438 1.00 22.25 C ATOM 342 CE1 TYR A 23 23.842 -19.478 -14.028 1.00 50.35 C ATOM 343 CE2 TYR A 23 24.925 -21.350 -15.052 1.00 41.14 C ATOM 344 CZ TYR A 23 24.994 -20.166 -14.349 1.00 12.34 C ATOM 345 OH TYR A 23 26.217 -19.668 -13.963 1.00 24.31 O ATOM 0 H TYR A 23 21.449 -23.150 -13.407 1.00 22.30 H new ATOM 0 HA TYR A 23 19.806 -20.825 -14.156 1.00 12.53 H new ATOM 0 HB2 TYR A 23 21.316 -22.705 -15.990 1.00 52.23 H new ATOM 0 HB3 TYR A 23 20.761 -21.078 -16.329 1.00 52.23 H new ATOM 0 HD1 TYR A 23 21.715 -19.440 -14.162 1.00 64.23 H new ATOM 0 HD2 TYR A 23 23.644 -22.771 -15.991 1.00 22.25 H new ATOM 0 HE1 TYR A 23 23.899 -18.551 -13.476 1.00 50.35 H new ATOM 0 HE2 TYR A 23 25.828 -21.888 -15.300 1.00 41.14 H new ATOM 0 HH TYR A 23 26.927 -20.272 -14.266 1.00 24.31 H new ATOM 355 N ILE A 24 17.936 -22.018 -15.331 1.00 1.23 N ATOM 356 CA ILE A 24 16.737 -22.715 -15.780 1.00 1.44 C ATOM 357 C ILE A 24 16.642 -22.720 -17.301 1.00 72.25 C ATOM 358 O ILE A 24 17.416 -22.050 -17.985 1.00 23.43 O ATOM 359 CB ILE A 24 15.463 -22.073 -15.199 1.00 72.50 C ATOM 360 CG1 ILE A 24 15.448 -20.570 -15.482 1.00 54.12 C ATOM 361 CG2 ILE A 24 15.371 -22.337 -13.704 1.00 23.35 C ATOM 362 CD1 ILE A 24 14.206 -20.105 -16.211 1.00 1.24 C ATOM 0 H ILE A 24 17.898 -21.004 -15.434 1.00 1.23 H new ATOM 0 HA ILE A 24 16.814 -23.741 -15.420 1.00 1.44 H new ATOM 0 HB ILE A 24 14.595 -22.523 -15.681 1.00 72.50 H new ATOM 0 HG12 ILE A 24 15.529 -20.030 -14.539 1.00 54.12 H new ATOM 0 HG13 ILE A 24 16.326 -20.311 -16.074 1.00 54.12 H new ATOM 0 HG21 ILE A 24 14.466 -21.877 -13.308 1.00 23.35 H new ATOM 0 HG22 ILE A 24 15.340 -23.412 -13.526 1.00 23.35 H new ATOM 0 HG23 ILE A 24 16.242 -21.912 -13.205 1.00 23.35 H new ATOM 0 HD11 ILE A 24 14.263 -19.029 -16.378 1.00 1.24 H new ATOM 0 HD12 ILE A 24 14.134 -20.618 -17.170 1.00 1.24 H new ATOM 0 HD13 ILE A 24 13.325 -20.332 -15.611 1.00 1.24 H new ATOM 374 N SER A 25 15.685 -23.480 -17.826 1.00 45.43 N ATOM 375 CA SER A 25 15.489 -23.574 -19.268 1.00 64.22 C ATOM 376 C SER A 25 14.392 -22.621 -19.731 1.00 13.01 C ATOM 377 O SER A 25 13.677 -22.038 -18.916 1.00 41.34 O ATOM 378 CB SER A 25 15.134 -25.009 -19.663 1.00 4.01 C ATOM 379 OG SER A 25 16.241 -25.663 -20.260 1.00 2.55 O ATOM 0 H SER A 25 15.034 -24.039 -17.274 1.00 45.43 H new ATOM 0 HA SER A 25 16.422 -23.290 -19.756 1.00 64.22 H new ATOM 0 HB2 SER A 25 14.813 -25.563 -18.781 1.00 4.01 H new ATOM 0 HB3 SER A 25 14.294 -25.001 -20.358 1.00 4.01 H new ATOM 0 HG SER A 25 15.989 -26.579 -20.502 1.00 2.55 H new ATOM 385 N ALA A 26 14.265 -22.468 -21.045 1.00 35.30 N ATOM 386 CA ALA A 26 13.253 -21.588 -21.617 1.00 65.25 C ATOM 387 C ALA A 26 11.894 -21.815 -20.964 1.00 65.10 C ATOM 388 O ALA A 26 11.212 -20.865 -20.582 1.00 44.31 O ATOM 389 CB ALA A 26 13.160 -21.800 -23.121 1.00 41.43 C ATOM 0 H ALA A 26 14.850 -22.942 -21.733 1.00 35.30 H new ATOM 0 HA ALA A 26 13.551 -20.558 -21.423 1.00 65.25 H new ATOM 0 HB1 ALA A 26 12.401 -21.137 -23.536 1.00 41.43 H new ATOM 0 HB2 ALA A 26 14.124 -21.580 -23.580 1.00 41.43 H new ATOM 0 HB3 ALA A 26 12.889 -22.836 -23.326 1.00 41.43 H new ATOM 395 N ALA A 27 11.507 -23.080 -20.839 1.00 71.24 N ATOM 396 CA ALA A 27 10.230 -23.431 -20.231 1.00 32.41 C ATOM 397 C ALA A 27 10.030 -22.695 -18.911 1.00 15.21 C ATOM 398 O ALA A 27 9.091 -21.912 -18.762 1.00 32.31 O ATOM 399 CB ALA A 27 10.143 -24.935 -20.017 1.00 21.32 C ATOM 0 H ALA A 27 12.060 -23.879 -21.151 1.00 71.24 H new ATOM 0 HA ALA A 27 9.435 -23.125 -20.912 1.00 32.41 H new ATOM 0 HB1 ALA A 27 9.184 -25.183 -19.562 1.00 21.32 H new ATOM 0 HB2 ALA A 27 10.232 -25.445 -20.976 1.00 21.32 H new ATOM 0 HB3 ALA A 27 10.950 -25.256 -19.359 1.00 21.32 H new ATOM 405 N ASP A 28 10.917 -22.951 -17.956 1.00 14.53 N ATOM 406 CA ASP A 28 10.837 -22.311 -16.647 1.00 63.14 C ATOM 407 C ASP A 28 10.810 -20.792 -16.786 1.00 33.12 C ATOM 408 O ASP A 28 10.209 -20.094 -15.968 1.00 22.25 O ATOM 409 CB ASP A 28 12.021 -22.735 -15.776 1.00 52.13 C ATOM 410 CG ASP A 28 11.666 -23.861 -14.825 1.00 53.21 C ATOM 411 OD1 ASP A 28 10.623 -24.512 -15.041 1.00 35.14 O ATOM 412 OD2 ASP A 28 12.431 -24.090 -13.865 1.00 14.04 O ATOM 0 H ASP A 28 11.699 -23.597 -18.063 1.00 14.53 H new ATOM 0 HA ASP A 28 9.911 -22.631 -16.169 1.00 63.14 H new ATOM 0 HB2 ASP A 28 12.845 -23.050 -16.416 1.00 52.13 H new ATOM 0 HB3 ASP A 28 12.373 -21.877 -15.203 1.00 52.13 H new ATOM 417 N LEU A 29 11.464 -20.286 -17.825 1.00 61.12 N ATOM 418 CA LEU A 29 11.516 -18.849 -18.071 1.00 12.02 C ATOM 419 C LEU A 29 10.146 -18.317 -18.479 1.00 50.42 C ATOM 420 O LEU A 29 9.600 -17.421 -17.835 1.00 11.11 O ATOM 421 CB LEU A 29 12.543 -18.534 -19.160 1.00 22.45 C ATOM 422 CG LEU A 29 13.011 -17.081 -19.241 1.00 54.25 C ATOM 423 CD1 LEU A 29 13.830 -16.714 -18.014 1.00 40.41 C ATOM 424 CD2 LEU A 29 13.817 -16.850 -20.512 1.00 34.55 C ATOM 0 H LEU A 29 11.966 -20.849 -18.511 1.00 61.12 H new ATOM 0 HA LEU A 29 11.816 -18.358 -17.145 1.00 12.02 H new ATOM 0 HB2 LEU A 29 13.416 -19.168 -19.002 1.00 22.45 H new ATOM 0 HB3 LEU A 29 12.117 -18.812 -20.124 1.00 22.45 H new ATOM 0 HG LEU A 29 12.132 -16.438 -19.270 1.00 54.25 H new ATOM 0 HD11 LEU A 29 14.154 -15.676 -18.090 1.00 40.41 H new ATOM 0 HD12 LEU A 29 13.221 -16.839 -17.119 1.00 40.41 H new ATOM 0 HD13 LEU A 29 14.703 -17.363 -17.952 1.00 40.41 H new ATOM 0 HD21 LEU A 29 14.142 -15.810 -20.553 1.00 34.55 H new ATOM 0 HD22 LEU A 29 14.690 -17.503 -20.513 1.00 34.55 H new ATOM 0 HD23 LEU A 29 13.197 -17.071 -21.381 1.00 34.55 H new ATOM 436 N ARG A 30 9.596 -18.875 -19.552 1.00 75.40 N ATOM 437 CA ARG A 30 8.289 -18.458 -20.046 1.00 11.44 C ATOM 438 C ARG A 30 7.229 -18.588 -18.956 1.00 32.31 C ATOM 439 O ARG A 30 6.267 -17.821 -18.916 1.00 15.11 O ATOM 440 CB ARG A 30 7.889 -19.293 -21.264 1.00 3.35 C ATOM 441 CG ARG A 30 7.037 -18.535 -22.268 1.00 72.13 C ATOM 442 CD ARG A 30 7.329 -18.978 -23.693 1.00 61.42 C ATOM 443 NE ARG A 30 6.139 -19.501 -24.359 1.00 12.11 N ATOM 444 CZ ARG A 30 5.649 -20.716 -24.141 1.00 34.11 C ATOM 445 NH1 ARG A 30 6.243 -21.530 -23.279 1.00 41.40 N ATOM 446 NH2 ARG A 30 4.561 -21.120 -24.785 1.00 41.33 N ATOM 0 H ARG A 30 10.035 -19.617 -20.096 1.00 75.40 H new ATOM 0 HA ARG A 30 8.357 -17.410 -20.340 1.00 11.44 H new ATOM 0 HB2 ARG A 30 8.791 -19.650 -21.761 1.00 3.35 H new ATOM 0 HB3 ARG A 30 7.342 -20.173 -20.927 1.00 3.35 H new ATOM 0 HG2 ARG A 30 5.982 -18.694 -22.045 1.00 72.13 H new ATOM 0 HG3 ARG A 30 7.225 -17.466 -22.172 1.00 72.13 H new ATOM 0 HD2 ARG A 30 7.721 -18.135 -24.261 1.00 61.42 H new ATOM 0 HD3 ARG A 30 8.105 -19.744 -23.683 1.00 61.42 H new ATOM 0 HE ARG A 30 5.658 -18.900 -25.028 1.00 12.11 H new ATOM 0 HH11 ARG A 30 7.079 -21.224 -22.781 1.00 41.40 H new ATOM 0 HH12 ARG A 30 5.864 -22.462 -23.114 1.00 41.40 H new ATOM 0 HH21 ARG A 30 4.100 -20.497 -25.448 1.00 41.33 H new ATOM 0 HH22 ARG A 30 4.186 -22.053 -24.617 1.00 41.33 H new ATOM 460 N HIS A 31 7.412 -19.566 -18.074 1.00 12.44 N ATOM 461 CA HIS A 31 6.471 -19.797 -16.983 1.00 42.10 C ATOM 462 C HIS A 31 6.552 -18.678 -15.949 1.00 40.33 C ATOM 463 O HIS A 31 5.586 -17.946 -15.735 1.00 14.13 O ATOM 464 CB HIS A 31 6.752 -21.144 -16.316 1.00 40.14 C ATOM 465 CG HIS A 31 6.218 -22.315 -17.083 1.00 14.52 C ATOM 466 ND1 HIS A 31 5.856 -23.503 -16.485 1.00 72.44 N ATOM 467 CD2 HIS A 31 5.983 -22.473 -18.406 1.00 72.53 C ATOM 468 CE1 HIS A 31 5.423 -24.344 -17.408 1.00 42.34 C ATOM 469 NE2 HIS A 31 5.490 -23.743 -18.583 1.00 13.12 N ATOM 0 H HIS A 31 8.202 -20.211 -18.093 1.00 12.44 H new ATOM 0 HA HIS A 31 5.464 -19.809 -17.401 1.00 42.10 H new ATOM 0 HB2 HIS A 31 7.829 -21.261 -16.192 1.00 40.14 H new ATOM 0 HB3 HIS A 31 6.315 -21.144 -15.318 1.00 40.14 H new ATOM 0 HD2 HIS A 31 6.152 -21.738 -19.179 1.00 72.53 H new ATOM 0 HE1 HIS A 31 5.074 -25.351 -17.232 1.00 42.34 H new ATOM 0 HE2 HIS A 31 5.220 -24.155 -19.476 1.00 13.12 H new ATOM 477 N VAL A 32 7.711 -18.551 -15.311 1.00 10.13 N ATOM 478 CA VAL A 32 7.918 -17.521 -14.300 1.00 1.03 C ATOM 479 C VAL A 32 7.589 -16.137 -14.849 1.00 72.51 C ATOM 480 O VAL A 32 6.972 -15.319 -14.168 1.00 3.21 O ATOM 481 CB VAL A 32 9.369 -17.524 -13.784 1.00 65.41 C ATOM 482 CG1 VAL A 32 9.542 -16.506 -12.668 1.00 1.14 C ATOM 483 CG2 VAL A 32 9.764 -18.916 -13.313 1.00 33.10 C ATOM 0 H VAL A 32 8.521 -19.149 -15.476 1.00 10.13 H new ATOM 0 HA VAL A 32 7.245 -17.750 -13.473 1.00 1.03 H new ATOM 0 HB VAL A 32 10.028 -17.242 -14.605 1.00 65.41 H new ATOM 0 HG11 VAL A 32 10.574 -16.523 -12.317 1.00 1.14 H new ATOM 0 HG12 VAL A 32 9.303 -15.511 -13.043 1.00 1.14 H new ATOM 0 HG13 VAL A 32 8.874 -16.753 -11.843 1.00 1.14 H new ATOM 0 HG21 VAL A 32 10.792 -18.900 -12.952 1.00 33.10 H new ATOM 0 HG22 VAL A 32 9.101 -19.229 -12.506 1.00 33.10 H new ATOM 0 HG23 VAL A 32 9.682 -19.618 -14.143 1.00 33.10 H new ATOM 493 N MET A 33 8.004 -15.884 -16.086 1.00 11.21 N ATOM 494 CA MET A 33 7.751 -14.599 -16.728 1.00 22.11 C ATOM 495 C MET A 33 6.257 -14.388 -16.953 1.00 23.13 C ATOM 496 O MET A 33 5.677 -13.416 -16.468 1.00 72.12 O ATOM 497 CB MET A 33 8.496 -14.516 -18.062 1.00 2.04 C ATOM 498 CG MET A 33 9.922 -14.005 -17.930 1.00 52.15 C ATOM 499 SD MET A 33 10.405 -12.936 -19.299 1.00 51.54 S ATOM 500 CE MET A 33 11.906 -13.744 -19.847 1.00 62.33 C ATOM 0 H MET A 33 8.516 -16.551 -16.663 1.00 11.21 H new ATOM 0 HA MET A 33 8.115 -13.813 -16.067 1.00 22.11 H new ATOM 0 HB2 MET A 33 8.514 -15.504 -18.521 1.00 2.04 H new ATOM 0 HB3 MET A 33 7.945 -13.861 -18.737 1.00 2.04 H new ATOM 0 HG2 MET A 33 10.022 -13.457 -16.993 1.00 52.15 H new ATOM 0 HG3 MET A 33 10.605 -14.853 -17.878 1.00 52.15 H new ATOM 0 HE1 MET A 33 12.530 -13.028 -20.381 1.00 62.33 H new ATOM 0 HE2 MET A 33 12.450 -14.126 -18.983 1.00 62.33 H new ATOM 0 HE3 MET A 33 11.653 -14.571 -20.511 1.00 62.33 H new ATOM 510 N THR A 34 5.639 -15.305 -17.691 1.00 41.31 N ATOM 511 CA THR A 34 4.213 -15.218 -17.981 1.00 65.11 C ATOM 512 C THR A 34 3.390 -15.217 -16.698 1.00 44.21 C ATOM 513 O THR A 34 2.242 -14.775 -16.687 1.00 5.35 O ATOM 514 CB THR A 34 3.750 -16.385 -18.874 1.00 11.42 C ATOM 515 OG1 THR A 34 4.471 -16.372 -20.111 1.00 3.33 O ATOM 516 CG2 THR A 34 2.257 -16.294 -19.151 1.00 12.12 C ATOM 0 H THR A 34 6.104 -16.116 -18.099 1.00 41.31 H new ATOM 0 HA THR A 34 4.055 -14.279 -18.511 1.00 65.11 H new ATOM 0 HB THR A 34 3.950 -17.318 -18.347 1.00 11.42 H new ATOM 0 HG1 THR A 34 5.393 -16.667 -19.956 1.00 3.33 H new ATOM 0 HG21 THR A 34 1.953 -17.128 -19.783 1.00 12.12 H new ATOM 0 HG22 THR A 34 1.709 -16.334 -18.209 1.00 12.12 H new ATOM 0 HG23 THR A 34 2.038 -15.355 -19.659 1.00 12.12 H new ATOM 524 N ASN A 35 3.985 -15.714 -15.618 1.00 62.05 N ATOM 525 CA ASN A 35 3.306 -15.770 -14.329 1.00 50.21 C ATOM 526 C ASN A 35 4.138 -15.090 -13.246 1.00 41.10 C ATOM 527 O ASN A 35 4.958 -15.729 -12.585 1.00 12.43 O ATOM 528 CB ASN A 35 3.028 -17.223 -13.938 1.00 4.32 C ATOM 529 CG ASN A 35 2.332 -17.995 -15.041 1.00 74.50 C ATOM 530 OD1 ASN A 35 1.664 -17.413 -15.896 1.00 32.13 O ATOM 531 ND2 ASN A 35 2.484 -19.315 -15.027 1.00 5.54 N ATOM 0 H ASN A 35 4.936 -16.084 -15.610 1.00 62.05 H new ATOM 0 HA ASN A 35 2.359 -15.238 -14.422 1.00 50.21 H new ATOM 0 HB2 ASN A 35 3.968 -17.716 -13.691 1.00 4.32 H new ATOM 0 HB3 ASN A 35 2.411 -17.243 -13.039 1.00 4.32 H new ATOM 0 HD21 ASN A 35 2.038 -19.887 -15.744 1.00 5.54 H new ATOM 0 HD22 ASN A 35 3.047 -19.756 -14.299 1.00 5.54 H new ATOM 538 N LEU A 36 3.922 -13.791 -13.070 1.00 33.24 N ATOM 539 CA LEU A 36 4.651 -13.023 -12.066 1.00 72.41 C ATOM 540 C LEU A 36 4.064 -11.623 -11.920 1.00 3.02 C ATOM 541 O LEU A 36 3.788 -11.167 -10.811 1.00 22.21 O ATOM 542 CB LEU A 36 6.131 -12.932 -12.441 1.00 71.24 C ATOM 543 CG LEU A 36 7.093 -13.751 -11.580 1.00 44.04 C ATOM 544 CD1 LEU A 36 8.529 -13.539 -12.035 1.00 50.42 C ATOM 545 CD2 LEU A 36 6.938 -13.385 -10.111 1.00 73.45 C ATOM 0 H LEU A 36 3.248 -13.247 -13.609 1.00 33.24 H new ATOM 0 HA LEU A 36 4.556 -13.538 -11.110 1.00 72.41 H new ATOM 0 HB2 LEU A 36 6.243 -13.250 -13.478 1.00 71.24 H new ATOM 0 HB3 LEU A 36 6.434 -11.886 -12.394 1.00 71.24 H new ATOM 0 HG LEU A 36 6.848 -14.806 -11.699 1.00 44.04 H new ATOM 0 HD11 LEU A 36 9.199 -14.130 -11.411 1.00 50.42 H new ATOM 0 HD12 LEU A 36 8.631 -13.852 -13.074 1.00 50.42 H new ATOM 0 HD13 LEU A 36 8.787 -12.484 -11.947 1.00 50.42 H new ATOM 0 HD21 LEU A 36 7.630 -13.978 -9.513 1.00 73.45 H new ATOM 0 HD22 LEU A 36 7.156 -12.326 -9.975 1.00 73.45 H new ATOM 0 HD23 LEU A 36 5.916 -13.589 -9.791 1.00 73.45 H new ATOM 557 N GLY A 37 3.875 -10.945 -13.048 1.00 75.30 N ATOM 558 CA GLY A 37 3.320 -9.605 -13.024 1.00 12.43 C ATOM 559 C GLY A 37 3.523 -8.869 -14.334 1.00 31.24 C ATOM 560 O GLY A 37 4.087 -7.776 -14.357 1.00 55.33 O ATOM 0 H GLY A 37 4.097 -11.300 -13.978 1.00 75.30 H new ATOM 0 HA2 GLY A 37 2.254 -9.661 -12.804 1.00 12.43 H new ATOM 0 HA3 GLY A 37 3.783 -9.038 -12.217 1.00 12.43 H new ATOM 564 N GLU A 38 3.064 -9.472 -15.426 1.00 51.31 N ATOM 565 CA GLU A 38 3.201 -8.867 -16.746 1.00 21.01 C ATOM 566 C GLU A 38 2.045 -9.276 -17.655 1.00 3.25 C ATOM 567 O GLU A 38 2.036 -10.374 -18.211 1.00 43.25 O ATOM 568 CB GLU A 38 4.532 -9.273 -17.382 1.00 23.44 C ATOM 569 CG GLU A 38 5.562 -8.156 -17.406 1.00 14.14 C ATOM 570 CD GLU A 38 6.745 -8.434 -16.499 1.00 43.45 C ATOM 571 OE1 GLU A 38 7.655 -9.176 -16.924 1.00 45.03 O ATOM 572 OE2 GLU A 38 6.762 -7.909 -15.366 1.00 72.34 O ATOM 0 H GLU A 38 2.595 -10.378 -15.423 1.00 51.31 H new ATOM 0 HA GLU A 38 3.180 -7.784 -16.625 1.00 21.01 H new ATOM 0 HB2 GLU A 38 4.942 -10.122 -16.835 1.00 23.44 H new ATOM 0 HB3 GLU A 38 4.350 -9.609 -18.403 1.00 23.44 H new ATOM 0 HG2 GLU A 38 5.917 -8.016 -18.427 1.00 14.14 H new ATOM 0 HG3 GLU A 38 5.088 -7.223 -17.102 1.00 14.14 H new ATOM 579 N LYS A 39 1.071 -8.385 -17.799 1.00 55.51 N ATOM 580 CA LYS A 39 -0.091 -8.650 -18.640 1.00 1.22 C ATOM 581 C LYS A 39 0.243 -8.435 -20.113 1.00 0.34 C ATOM 582 O LYS A 39 -0.055 -7.383 -20.680 1.00 50.11 O ATOM 583 CB LYS A 39 -1.257 -7.747 -18.233 1.00 55.43 C ATOM 584 CG LYS A 39 -1.998 -8.229 -16.998 1.00 75.03 C ATOM 585 CD LYS A 39 -2.461 -7.067 -16.136 1.00 12.40 C ATOM 586 CE LYS A 39 -1.499 -6.807 -14.987 1.00 45.14 C ATOM 587 NZ LYS A 39 -2.104 -5.935 -13.943 1.00 22.33 N ATOM 0 H LYS A 39 1.063 -7.472 -17.344 1.00 55.51 H new ATOM 0 HA LYS A 39 -0.380 -9.692 -18.500 1.00 1.22 H new ATOM 0 HB2 LYS A 39 -0.880 -6.741 -18.050 1.00 55.43 H new ATOM 0 HB3 LYS A 39 -1.959 -7.678 -19.064 1.00 55.43 H new ATOM 0 HG2 LYS A 39 -2.859 -8.825 -17.299 1.00 75.03 H new ATOM 0 HG3 LYS A 39 -1.348 -8.880 -16.414 1.00 75.03 H new ATOM 0 HD2 LYS A 39 -2.548 -6.170 -16.749 1.00 12.40 H new ATOM 0 HD3 LYS A 39 -3.454 -7.280 -15.740 1.00 12.40 H new ATOM 0 HE2 LYS A 39 -1.202 -7.756 -14.540 1.00 45.14 H new ATOM 0 HE3 LYS A 39 -0.593 -6.338 -15.371 1.00 45.14 H new ATOM 0 HZ1 LYS A 39 -1.417 -5.782 -13.178 1.00 22.33 H new ATOM 0 HZ2 LYS A 39 -2.364 -5.020 -14.363 1.00 22.33 H new ATOM 0 HZ3 LYS A 39 -2.954 -6.393 -13.558 1.00 22.33 H new ATOM 601 N LEU A 40 0.862 -9.437 -20.727 1.00 35.24 N ATOM 602 CA LEU A 40 1.235 -9.358 -22.135 1.00 35.42 C ATOM 603 C LEU A 40 0.796 -10.612 -22.885 1.00 50.22 C ATOM 604 O LEU A 40 0.318 -11.574 -22.284 1.00 34.14 O ATOM 605 CB LEU A 40 2.746 -9.170 -22.272 1.00 63.45 C ATOM 606 CG LEU A 40 3.394 -8.194 -21.289 1.00 73.54 C ATOM 607 CD1 LEU A 40 4.905 -8.186 -21.463 1.00 15.42 C ATOM 608 CD2 LEU A 40 2.825 -6.795 -21.475 1.00 25.00 C ATOM 0 H LEU A 40 1.116 -10.314 -20.272 1.00 35.24 H new ATOM 0 HA LEU A 40 0.727 -8.499 -22.573 1.00 35.42 H new ATOM 0 HB2 LEU A 40 3.225 -10.142 -22.156 1.00 63.45 H new ATOM 0 HB3 LEU A 40 2.959 -8.829 -23.285 1.00 63.45 H new ATOM 0 HG LEU A 40 3.168 -8.524 -20.275 1.00 73.54 H new ATOM 0 HD11 LEU A 40 5.349 -7.486 -20.755 1.00 15.42 H new ATOM 0 HD12 LEU A 40 5.298 -9.186 -21.279 1.00 15.42 H new ATOM 0 HD13 LEU A 40 5.153 -7.880 -22.480 1.00 15.42 H new ATOM 0 HD21 LEU A 40 3.297 -6.113 -20.768 1.00 25.00 H new ATOM 0 HD22 LEU A 40 3.020 -6.455 -22.492 1.00 25.00 H new ATOM 0 HD23 LEU A 40 1.750 -6.813 -21.299 1.00 25.00 H new ATOM 620 N THR A 41 0.964 -10.595 -24.204 1.00 30.10 N ATOM 621 CA THR A 41 0.587 -11.730 -25.037 1.00 12.01 C ATOM 622 C THR A 41 1.774 -12.657 -25.274 1.00 12.50 C ATOM 623 O THR A 41 2.922 -12.284 -25.033 1.00 42.35 O ATOM 624 CB THR A 41 0.031 -11.268 -26.397 1.00 72.22 C ATOM 625 OG1 THR A 41 1.091 -10.753 -27.210 1.00 51.42 O ATOM 626 CG2 THR A 41 -1.037 -10.201 -26.211 1.00 74.32 C ATOM 0 H THR A 41 1.359 -9.807 -24.718 1.00 30.10 H new ATOM 0 HA THR A 41 -0.191 -12.272 -24.500 1.00 12.01 H new ATOM 0 HB THR A 41 -0.420 -12.128 -26.891 1.00 72.22 H new ATOM 0 HG1 THR A 41 1.324 -9.849 -26.910 1.00 51.42 H new ATOM 0 HG21 THR A 41 -1.415 -9.890 -27.185 1.00 74.32 H new ATOM 0 HG22 THR A 41 -1.856 -10.606 -25.617 1.00 74.32 H new ATOM 0 HG23 THR A 41 -0.607 -9.341 -25.698 1.00 74.32 H new ATOM 634 N ASP A 42 1.490 -13.865 -25.747 1.00 52.24 N ATOM 635 CA ASP A 42 2.535 -14.845 -26.019 1.00 0.21 C ATOM 636 C ASP A 42 3.570 -14.281 -26.988 1.00 74.30 C ATOM 637 O ASP A 42 4.749 -14.626 -26.921 1.00 32.51 O ATOM 638 CB ASP A 42 1.926 -16.126 -26.591 1.00 44.13 C ATOM 639 CG ASP A 42 1.273 -15.904 -27.941 1.00 14.41 C ATOM 640 OD1 ASP A 42 0.069 -15.572 -27.969 1.00 42.12 O ATOM 641 OD2 ASP A 42 1.964 -16.062 -28.969 1.00 22.01 O ATOM 0 H ASP A 42 0.545 -14.189 -25.950 1.00 52.24 H new ATOM 0 HA ASP A 42 3.034 -15.078 -25.079 1.00 0.21 H new ATOM 0 HB2 ASP A 42 2.704 -16.883 -26.687 1.00 44.13 H new ATOM 0 HB3 ASP A 42 1.186 -16.516 -25.892 1.00 44.13 H new ATOM 646 N GLU A 43 3.119 -13.414 -27.889 1.00 12.44 N ATOM 647 CA GLU A 43 4.006 -12.804 -28.872 1.00 70.45 C ATOM 648 C GLU A 43 4.982 -11.841 -28.203 1.00 31.45 C ATOM 649 O GLU A 43 6.150 -11.763 -28.581 1.00 61.10 O ATOM 650 CB GLU A 43 3.193 -12.065 -29.937 1.00 34.01 C ATOM 651 CG GLU A 43 4.040 -11.482 -31.055 1.00 25.20 C ATOM 652 CD GLU A 43 4.932 -12.518 -31.712 1.00 31.22 C ATOM 653 OE1 GLU A 43 4.465 -13.193 -32.652 1.00 75.44 O ATOM 654 OE2 GLU A 43 6.098 -12.653 -31.285 1.00 32.24 O ATOM 0 H GLU A 43 2.145 -13.119 -27.958 1.00 12.44 H new ATOM 0 HA GLU A 43 4.578 -13.600 -29.349 1.00 70.45 H new ATOM 0 HB2 GLU A 43 2.463 -12.752 -30.366 1.00 34.01 H new ATOM 0 HB3 GLU A 43 2.632 -11.261 -29.461 1.00 34.01 H new ATOM 0 HG2 GLU A 43 3.387 -11.040 -31.808 1.00 25.20 H new ATOM 0 HG3 GLU A 43 4.657 -10.677 -30.656 1.00 25.20 H new ATOM 661 N GLU A 44 4.493 -11.110 -27.206 1.00 34.42 N ATOM 662 CA GLU A 44 5.321 -10.152 -26.484 1.00 42.43 C ATOM 663 C GLU A 44 6.380 -10.867 -25.650 1.00 15.15 C ATOM 664 O GLU A 44 7.533 -10.440 -25.591 1.00 32.34 O ATOM 665 CB GLU A 44 4.454 -9.271 -25.582 1.00 74.33 C ATOM 666 CG GLU A 44 4.257 -7.862 -26.115 1.00 1.34 C ATOM 667 CD GLU A 44 2.967 -7.708 -26.896 1.00 15.34 C ATOM 668 OE1 GLU A 44 1.885 -7.842 -26.285 1.00 40.54 O ATOM 669 OE2 GLU A 44 3.038 -7.454 -28.116 1.00 54.21 O ATOM 0 H GLU A 44 3.528 -11.163 -26.880 1.00 34.42 H new ATOM 0 HA GLU A 44 5.825 -9.523 -27.217 1.00 42.43 H new ATOM 0 HB2 GLU A 44 3.479 -9.742 -25.456 1.00 74.33 H new ATOM 0 HB3 GLU A 44 4.911 -9.216 -24.594 1.00 74.33 H new ATOM 0 HG2 GLU A 44 4.259 -7.159 -25.282 1.00 1.34 H new ATOM 0 HG3 GLU A 44 5.099 -7.599 -26.756 1.00 1.34 H new ATOM 676 N VAL A 45 5.978 -11.958 -25.004 1.00 43.25 N ATOM 677 CA VAL A 45 6.891 -12.734 -24.173 1.00 51.51 C ATOM 678 C VAL A 45 8.026 -13.321 -25.004 1.00 22.02 C ATOM 679 O VAL A 45 9.159 -13.432 -24.535 1.00 21.32 O ATOM 680 CB VAL A 45 6.156 -13.876 -23.448 1.00 34.12 C ATOM 681 CG1 VAL A 45 7.124 -14.673 -22.587 1.00 11.33 C ATOM 682 CG2 VAL A 45 5.012 -13.325 -22.609 1.00 23.51 C ATOM 0 H VAL A 45 5.027 -12.324 -25.040 1.00 43.25 H new ATOM 0 HA VAL A 45 7.304 -12.050 -23.432 1.00 51.51 H new ATOM 0 HB VAL A 45 5.736 -14.548 -24.197 1.00 34.12 H new ATOM 0 HG11 VAL A 45 6.586 -15.476 -22.083 1.00 11.33 H new ATOM 0 HG12 VAL A 45 7.905 -15.099 -23.217 1.00 11.33 H new ATOM 0 HG13 VAL A 45 7.576 -14.016 -21.844 1.00 11.33 H new ATOM 0 HG21 VAL A 45 4.503 -14.146 -22.103 1.00 23.51 H new ATOM 0 HG22 VAL A 45 5.406 -12.631 -21.867 1.00 23.51 H new ATOM 0 HG23 VAL A 45 4.306 -12.803 -23.255 1.00 23.51 H new ATOM 692 N ASP A 46 7.715 -13.695 -26.240 1.00 30.22 N ATOM 693 CA ASP A 46 8.710 -14.270 -27.138 1.00 33.41 C ATOM 694 C ASP A 46 9.932 -13.364 -27.247 1.00 71.11 C ATOM 695 O ASP A 46 11.061 -13.800 -27.026 1.00 31.33 O ATOM 696 CB ASP A 46 8.104 -14.501 -28.524 1.00 5.55 C ATOM 697 CG ASP A 46 9.126 -15.002 -29.525 1.00 72.14 C ATOM 698 OD1 ASP A 46 9.786 -16.022 -29.238 1.00 45.13 O ATOM 699 OD2 ASP A 46 9.265 -14.374 -30.596 1.00 60.31 O ATOM 0 H ASP A 46 6.782 -13.610 -26.643 1.00 30.22 H new ATOM 0 HA ASP A 46 9.027 -15.228 -26.725 1.00 33.41 H new ATOM 0 HB2 ASP A 46 7.291 -15.223 -28.446 1.00 5.55 H new ATOM 0 HB3 ASP A 46 7.670 -13.570 -28.887 1.00 5.55 H new ATOM 704 N GLU A 47 9.697 -12.101 -27.591 1.00 23.52 N ATOM 705 CA GLU A 47 10.780 -11.135 -27.731 1.00 41.01 C ATOM 706 C GLU A 47 11.440 -10.858 -26.383 1.00 41.24 C ATOM 707 O GLU A 47 12.618 -10.507 -26.318 1.00 14.52 O ATOM 708 CB GLU A 47 10.254 -9.830 -28.332 1.00 12.33 C ATOM 709 CG GLU A 47 11.342 -8.949 -28.923 1.00 20.42 C ATOM 710 CD GLU A 47 10.840 -7.565 -29.284 1.00 3.33 C ATOM 711 OE1 GLU A 47 10.271 -6.891 -28.399 1.00 61.41 O ATOM 712 OE2 GLU A 47 11.016 -7.154 -30.450 1.00 24.52 O ATOM 0 H GLU A 47 8.768 -11.724 -27.777 1.00 23.52 H new ATOM 0 HA GLU A 47 11.527 -11.560 -28.401 1.00 41.01 H new ATOM 0 HB2 GLU A 47 9.527 -10.065 -29.109 1.00 12.33 H new ATOM 0 HB3 GLU A 47 9.726 -9.271 -27.560 1.00 12.33 H new ATOM 0 HG2 GLU A 47 12.160 -8.860 -28.208 1.00 20.42 H new ATOM 0 HG3 GLU A 47 11.748 -9.428 -29.814 1.00 20.42 H new ATOM 719 N MET A 48 10.672 -11.018 -25.311 1.00 13.01 N ATOM 720 CA MET A 48 11.182 -10.786 -23.965 1.00 14.35 C ATOM 721 C MET A 48 12.315 -11.753 -23.638 1.00 42.31 C ATOM 722 O MET A 48 13.308 -11.372 -23.017 1.00 21.41 O ATOM 723 CB MET A 48 10.057 -10.934 -22.938 1.00 23.33 C ATOM 724 CG MET A 48 9.629 -9.618 -22.311 1.00 11.53 C ATOM 725 SD MET A 48 10.052 -9.511 -20.561 1.00 44.13 S ATOM 726 CE MET A 48 11.818 -9.804 -20.622 1.00 3.10 C ATOM 0 H MET A 48 9.695 -11.307 -25.348 1.00 13.01 H new ATOM 0 HA MET A 48 11.573 -9.769 -23.922 1.00 14.35 H new ATOM 0 HB2 MET A 48 9.195 -11.395 -23.420 1.00 23.33 H new ATOM 0 HB3 MET A 48 10.383 -11.613 -22.150 1.00 23.33 H new ATOM 0 HG2 MET A 48 10.102 -8.795 -22.846 1.00 11.53 H new ATOM 0 HG3 MET A 48 8.552 -9.498 -22.428 1.00 11.53 H new ATOM 0 HE1 MET A 48 12.263 -9.545 -19.662 1.00 3.10 H new ATOM 0 HE2 MET A 48 12.005 -10.856 -20.836 1.00 3.10 H new ATOM 0 HE3 MET A 48 12.262 -9.190 -21.405 1.00 3.10 H new ATOM 736 N ILE A 49 12.160 -13.003 -24.060 1.00 63.12 N ATOM 737 CA ILE A 49 13.172 -14.023 -23.813 1.00 34.11 C ATOM 738 C ILE A 49 14.430 -13.759 -24.632 1.00 64.32 C ATOM 739 O ILE A 49 15.525 -14.182 -24.260 1.00 43.33 O ATOM 740 CB ILE A 49 12.643 -15.432 -24.143 1.00 43.55 C ATOM 741 CG1 ILE A 49 11.360 -15.716 -23.360 1.00 41.50 C ATOM 742 CG2 ILE A 49 13.702 -16.480 -23.835 1.00 73.11 C ATOM 743 CD1 ILE A 49 10.676 -17.002 -23.767 1.00 53.42 C ATOM 0 H ILE A 49 11.344 -13.334 -24.574 1.00 63.12 H new ATOM 0 HA ILE A 49 13.416 -13.975 -22.752 1.00 34.11 H new ATOM 0 HB ILE A 49 12.413 -15.478 -25.207 1.00 43.55 H new ATOM 0 HG12 ILE A 49 11.595 -15.760 -22.297 1.00 41.50 H new ATOM 0 HG13 ILE A 49 10.668 -14.886 -23.499 1.00 41.50 H new ATOM 0 HG21 ILE A 49 13.314 -17.470 -24.073 1.00 73.11 H new ATOM 0 HG22 ILE A 49 14.592 -16.285 -24.434 1.00 73.11 H new ATOM 0 HG23 ILE A 49 13.960 -16.436 -22.777 1.00 73.11 H new ATOM 0 HD11 ILE A 49 9.774 -17.139 -23.171 1.00 53.42 H new ATOM 0 HD12 ILE A 49 10.409 -16.954 -24.823 1.00 53.42 H new ATOM 0 HD13 ILE A 49 11.351 -17.841 -23.601 1.00 53.42 H new ATOM 755 N ARG A 50 14.267 -13.057 -25.748 1.00 52.44 N ATOM 756 CA ARG A 50 15.390 -12.735 -26.621 1.00 20.45 C ATOM 757 C ARG A 50 16.447 -11.929 -25.871 1.00 71.22 C ATOM 758 O ARG A 50 17.645 -12.145 -26.048 1.00 4.43 O ATOM 759 CB ARG A 50 14.907 -11.952 -27.842 1.00 52.13 C ATOM 760 CG ARG A 50 15.239 -12.622 -29.166 1.00 13.33 C ATOM 761 CD ARG A 50 14.696 -11.828 -30.344 1.00 11.45 C ATOM 762 NE ARG A 50 15.764 -11.323 -31.202 1.00 60.13 N ATOM 763 CZ ARG A 50 16.535 -12.103 -31.951 1.00 62.43 C ATOM 764 NH1 ARG A 50 16.357 -13.417 -31.947 1.00 62.33 N ATOM 765 NH2 ARG A 50 17.487 -11.570 -32.707 1.00 15.42 N ATOM 0 H ARG A 50 13.367 -12.700 -26.070 1.00 52.44 H new ATOM 0 HA ARG A 50 15.839 -13.671 -26.954 1.00 20.45 H new ATOM 0 HB2 ARG A 50 13.828 -11.818 -27.773 1.00 52.13 H new ATOM 0 HB3 ARG A 50 15.354 -10.958 -27.826 1.00 52.13 H new ATOM 0 HG2 ARG A 50 16.320 -12.724 -29.262 1.00 13.33 H new ATOM 0 HG3 ARG A 50 14.821 -13.629 -29.181 1.00 13.33 H new ATOM 0 HD2 ARG A 50 14.028 -12.460 -30.930 1.00 11.45 H new ATOM 0 HD3 ARG A 50 14.102 -10.992 -29.975 1.00 11.45 H new ATOM 0 HE ARG A 50 15.927 -10.316 -31.228 1.00 60.13 H new ATOM 0 HH11 ARG A 50 15.627 -13.831 -31.368 1.00 62.33 H new ATOM 0 HH12 ARG A 50 16.950 -14.014 -32.523 1.00 62.33 H new ATOM 0 HH21 ARG A 50 17.627 -10.560 -32.713 1.00 15.42 H new ATOM 0 HH22 ARG A 50 18.078 -12.171 -33.282 1.00 15.42 H new ATOM 779 N GLU A 51 15.993 -11.000 -25.036 1.00 31.35 N ATOM 780 CA GLU A 51 16.900 -10.161 -24.261 1.00 60.51 C ATOM 781 C GLU A 51 17.367 -10.884 -23.001 1.00 31.13 C ATOM 782 O GLU A 51 18.506 -10.721 -22.565 1.00 62.31 O ATOM 783 CB GLU A 51 16.217 -8.845 -23.884 1.00 74.40 C ATOM 784 CG GLU A 51 16.302 -7.783 -24.967 1.00 22.01 C ATOM 785 CD GLU A 51 16.749 -6.437 -24.430 1.00 33.12 C ATOM 786 OE1 GLU A 51 15.958 -5.795 -23.707 1.00 74.42 O ATOM 787 OE2 GLU A 51 17.888 -6.026 -24.732 1.00 2.52 O ATOM 0 H GLU A 51 15.003 -10.809 -24.879 1.00 31.35 H new ATOM 0 HA GLU A 51 17.771 -9.945 -24.879 1.00 60.51 H new ATOM 0 HB2 GLU A 51 15.168 -9.041 -23.660 1.00 74.40 H new ATOM 0 HB3 GLU A 51 16.671 -8.458 -22.971 1.00 74.40 H new ATOM 0 HG2 GLU A 51 16.998 -8.111 -25.739 1.00 22.01 H new ATOM 0 HG3 GLU A 51 15.327 -7.675 -25.442 1.00 22.01 H new ATOM 794 N ALA A 52 16.477 -11.683 -22.420 1.00 3.53 N ATOM 795 CA ALA A 52 16.798 -12.431 -21.211 1.00 34.31 C ATOM 796 C ALA A 52 17.287 -13.835 -21.548 1.00 61.54 C ATOM 797 O ALA A 52 16.937 -14.804 -20.874 1.00 20.12 O ATOM 798 CB ALA A 52 15.584 -12.499 -20.295 1.00 65.11 C ATOM 0 H ALA A 52 15.529 -11.828 -22.767 1.00 3.53 H new ATOM 0 HA ALA A 52 17.602 -11.909 -20.693 1.00 34.31 H new ATOM 0 HB1 ALA A 52 15.838 -13.060 -19.396 1.00 65.11 H new ATOM 0 HB2 ALA A 52 15.280 -11.489 -20.019 1.00 65.11 H new ATOM 0 HB3 ALA A 52 14.764 -12.996 -20.814 1.00 65.11 H new ATOM 804 N ASP A 53 18.097 -13.938 -22.596 1.00 25.51 N ATOM 805 CA ASP A 53 18.636 -15.225 -23.023 1.00 15.12 C ATOM 806 C ASP A 53 19.644 -15.044 -24.153 1.00 22.12 C ATOM 807 O ASP A 53 19.721 -15.866 -25.067 1.00 10.23 O ATOM 808 CB ASP A 53 17.505 -16.150 -23.475 1.00 73.02 C ATOM 809 CG ASP A 53 17.949 -17.595 -23.589 1.00 21.04 C ATOM 810 OD1 ASP A 53 18.693 -18.059 -22.699 1.00 43.21 O ATOM 811 OD2 ASP A 53 17.552 -18.262 -24.566 1.00 71.52 O ATOM 0 H ASP A 53 18.395 -13.146 -23.166 1.00 25.51 H new ATOM 0 HA ASP A 53 19.148 -15.677 -22.173 1.00 15.12 H new ATOM 0 HB2 ASP A 53 16.679 -16.082 -22.767 1.00 73.02 H new ATOM 0 HB3 ASP A 53 17.127 -15.812 -24.440 1.00 73.02 H new ATOM 816 N ILE A 54 20.415 -13.964 -24.084 1.00 55.41 N ATOM 817 CA ILE A 54 21.418 -13.676 -25.101 1.00 40.52 C ATOM 818 C ILE A 54 22.705 -14.450 -24.839 1.00 30.22 C ATOM 819 O ILE A 54 23.118 -15.280 -25.649 1.00 5.20 O ATOM 820 CB ILE A 54 21.741 -12.171 -25.163 1.00 3.01 C ATOM 821 CG1 ILE A 54 20.459 -11.359 -25.358 1.00 20.23 C ATOM 822 CG2 ILE A 54 22.730 -11.887 -26.284 1.00 72.10 C ATOM 823 CD1 ILE A 54 20.662 -9.866 -25.221 1.00 22.52 C ATOM 0 H ILE A 54 20.364 -13.274 -23.334 1.00 55.41 H new ATOM 0 HA ILE A 54 20.997 -13.989 -26.056 1.00 40.52 H new ATOM 0 HB ILE A 54 22.197 -11.873 -24.219 1.00 3.01 H new ATOM 0 HG12 ILE A 54 20.050 -11.573 -26.345 1.00 20.23 H new ATOM 0 HG13 ILE A 54 19.718 -11.685 -24.629 1.00 20.23 H new ATOM 0 HG21 ILE A 54 22.948 -10.820 -26.315 1.00 72.10 H new ATOM 0 HG22 ILE A 54 23.652 -12.441 -26.105 1.00 72.10 H new ATOM 0 HG23 ILE A 54 22.300 -12.197 -27.236 1.00 72.10 H new ATOM 0 HD11 ILE A 54 19.711 -9.354 -25.372 1.00 22.52 H new ATOM 0 HD12 ILE A 54 21.042 -9.640 -24.225 1.00 22.52 H new ATOM 0 HD13 ILE A 54 21.379 -9.526 -25.968 1.00 22.52 H new ATOM 835 N ASP A 55 23.333 -14.175 -23.701 1.00 32.11 N ATOM 836 CA ASP A 55 24.572 -14.848 -23.329 1.00 70.22 C ATOM 837 C ASP A 55 24.309 -16.303 -22.954 1.00 74.34 C ATOM 838 O ASP A 55 23.471 -16.593 -22.102 1.00 33.44 O ATOM 839 CB ASP A 55 25.242 -14.121 -22.162 1.00 61.33 C ATOM 840 CG ASP A 55 24.282 -13.852 -21.020 1.00 42.21 C ATOM 841 OD1 ASP A 55 24.056 -14.772 -20.207 1.00 14.54 O ATOM 842 OD2 ASP A 55 23.757 -12.721 -20.940 1.00 71.42 O ATOM 0 H ASP A 55 23.004 -13.490 -23.020 1.00 32.11 H new ATOM 0 HA ASP A 55 25.240 -14.829 -24.190 1.00 70.22 H new ATOM 0 HB2 ASP A 55 26.078 -14.718 -21.797 1.00 61.33 H new ATOM 0 HB3 ASP A 55 25.656 -13.176 -22.515 1.00 61.33 H new ATOM 847 N GLY A 56 25.030 -17.215 -23.599 1.00 71.43 N ATOM 848 CA GLY A 56 24.859 -18.629 -23.321 1.00 34.31 C ATOM 849 C GLY A 56 24.022 -19.330 -24.373 1.00 21.21 C ATOM 850 O GLY A 56 24.341 -20.444 -24.789 1.00 25.01 O ATOM 0 H GLY A 56 25.730 -17.000 -24.309 1.00 71.43 H new ATOM 0 HA2 GLY A 56 25.838 -19.106 -23.263 1.00 34.31 H new ATOM 0 HA3 GLY A 56 24.387 -18.750 -22.346 1.00 34.31 H new ATOM 854 N ASP A 57 22.948 -18.678 -24.803 1.00 52.02 N ATOM 855 CA ASP A 57 22.062 -19.246 -25.813 1.00 0.11 C ATOM 856 C ASP A 57 21.621 -20.653 -25.420 1.00 45.42 C ATOM 857 O ASP A 57 22.257 -21.639 -25.789 1.00 44.12 O ATOM 858 CB ASP A 57 22.759 -19.278 -27.174 1.00 2.31 C ATOM 859 CG ASP A 57 21.874 -19.847 -28.265 1.00 31.32 C ATOM 860 OD1 ASP A 57 20.637 -19.712 -28.157 1.00 11.42 O ATOM 861 OD2 ASP A 57 22.418 -20.428 -29.227 1.00 11.00 O ATOM 0 H ASP A 57 22.669 -17.756 -24.468 1.00 52.02 H new ATOM 0 HA ASP A 57 21.177 -18.613 -25.882 1.00 0.11 H new ATOM 0 HB2 ASP A 57 23.063 -18.267 -27.447 1.00 2.31 H new ATOM 0 HB3 ASP A 57 23.668 -19.875 -27.099 1.00 2.31 H new ATOM 866 N GLY A 58 20.528 -20.737 -24.668 1.00 4.33 N ATOM 867 CA GLY A 58 20.022 -22.027 -24.236 1.00 43.42 C ATOM 868 C GLY A 58 19.482 -21.993 -22.821 1.00 33.15 C ATOM 869 O GLY A 58 18.389 -22.493 -22.556 1.00 14.54 O ATOM 0 H GLY A 58 19.984 -19.935 -24.350 1.00 4.33 H new ATOM 0 HA2 GLY A 58 19.233 -22.350 -24.915 1.00 43.42 H new ATOM 0 HA3 GLY A 58 20.820 -22.767 -24.299 1.00 43.42 H new ATOM 873 N GLN A 59 20.250 -21.405 -21.909 1.00 54.32 N ATOM 874 CA GLN A 59 19.841 -21.311 -20.513 1.00 5.15 C ATOM 875 C GLN A 59 19.915 -19.869 -20.020 1.00 32.54 C ATOM 876 O GLN A 59 20.761 -19.093 -20.463 1.00 24.23 O ATOM 877 CB GLN A 59 20.723 -22.206 -19.640 1.00 64.14 C ATOM 878 CG GLN A 59 20.271 -23.657 -19.605 1.00 51.01 C ATOM 879 CD GLN A 59 21.183 -24.572 -20.398 1.00 24.25 C ATOM 880 OE1 GLN A 59 20.894 -24.728 -21.684 1.00 41.44 O flip ATOM 881 NE2 GLN A 59 22.138 -25.134 -19.859 1.00 50.11 N flip ATOM 0 H GLN A 59 21.158 -20.987 -22.112 1.00 54.32 H new ATOM 0 HA GLN A 59 18.807 -21.649 -20.440 1.00 5.15 H new ATOM 0 HB2 GLN A 59 21.748 -22.162 -20.008 1.00 64.14 H new ATOM 0 HB3 GLN A 59 20.732 -21.812 -18.624 1.00 64.14 H new ATOM 0 HG2 GLN A 59 20.233 -23.997 -18.570 1.00 51.01 H new ATOM 0 HG3 GLN A 59 19.258 -23.728 -20.001 1.00 51.01 H new ATOM 0 HE21 GLN A 59 22.324 -24.986 -18.867 1.00 50.11 H new ATOM 0 HE22 GLN A 59 22.743 -25.748 -20.405 1.00 50.11 H new ATOM 890 N VAL A 60 19.022 -19.517 -19.100 1.00 72.51 N ATOM 891 CA VAL A 60 18.986 -18.169 -18.546 1.00 74.31 C ATOM 892 C VAL A 60 19.773 -18.089 -17.243 1.00 63.23 C ATOM 893 O VAL A 60 19.633 -18.942 -16.368 1.00 64.42 O ATOM 894 CB VAL A 60 17.539 -17.707 -18.288 1.00 21.21 C ATOM 895 CG1 VAL A 60 17.521 -16.287 -17.743 1.00 63.05 C ATOM 896 CG2 VAL A 60 16.712 -17.809 -19.561 1.00 24.53 C ATOM 0 H VAL A 60 18.314 -20.147 -18.723 1.00 72.51 H new ATOM 0 HA VAL A 60 19.444 -17.511 -19.285 1.00 74.31 H new ATOM 0 HB VAL A 60 17.094 -18.363 -17.540 1.00 21.21 H new ATOM 0 HG11 VAL A 60 16.491 -15.978 -17.567 1.00 63.05 H new ATOM 0 HG12 VAL A 60 18.076 -16.250 -16.806 1.00 63.05 H new ATOM 0 HG13 VAL A 60 17.983 -15.614 -18.465 1.00 63.05 H new ATOM 0 HG21 VAL A 60 15.693 -17.479 -19.360 1.00 24.53 H new ATOM 0 HG22 VAL A 60 17.153 -17.178 -20.333 1.00 24.53 H new ATOM 0 HG23 VAL A 60 16.697 -18.844 -19.903 1.00 24.53 H new ATOM 906 N ASN A 61 20.602 -17.057 -17.122 1.00 31.13 N ATOM 907 CA ASN A 61 21.413 -16.865 -15.925 1.00 11.11 C ATOM 908 C ASN A 61 20.593 -16.222 -14.810 1.00 25.21 C ATOM 909 O ASN A 61 19.871 -15.252 -15.037 1.00 12.51 O ATOM 910 CB ASN A 61 22.631 -15.996 -16.243 1.00 64.23 C ATOM 911 CG ASN A 61 23.925 -16.788 -16.234 1.00 34.41 C ATOM 912 OD1 ASN A 61 23.986 -17.905 -16.750 1.00 15.52 O ATOM 913 ND2 ASN A 61 24.966 -16.213 -15.645 1.00 45.22 N ATOM 0 H ASN A 61 20.730 -16.341 -17.838 1.00 31.13 H new ATOM 0 HA ASN A 61 21.752 -17.844 -15.585 1.00 11.11 H new ATOM 0 HB2 ASN A 61 22.498 -15.533 -17.221 1.00 64.23 H new ATOM 0 HB3 ASN A 61 22.698 -15.188 -15.514 1.00 64.23 H new ATOM 0 HD21 ASN A 61 25.862 -16.698 -15.607 1.00 45.22 H new ATOM 0 HD22 ASN A 61 24.870 -15.286 -15.231 1.00 45.22 H new ATOM 920 N TYR A 62 20.712 -16.770 -13.605 1.00 51.45 N ATOM 921 CA TYR A 62 19.981 -16.251 -12.455 1.00 62.21 C ATOM 922 C TYR A 62 20.361 -14.800 -12.177 1.00 41.02 C ATOM 923 O TYR A 62 19.566 -14.032 -11.636 1.00 63.31 O ATOM 924 CB TYR A 62 20.259 -17.108 -11.219 1.00 63.53 C ATOM 925 CG TYR A 62 19.787 -16.480 -9.928 1.00 31.23 C ATOM 926 CD1 TYR A 62 18.437 -16.453 -9.598 1.00 61.55 C ATOM 927 CD2 TYR A 62 20.690 -15.913 -9.037 1.00 54.51 C ATOM 928 CE1 TYR A 62 18.001 -15.880 -8.420 1.00 14.11 C ATOM 929 CE2 TYR A 62 20.262 -15.338 -7.856 1.00 22.23 C ATOM 930 CZ TYR A 62 18.917 -15.324 -7.552 1.00 31.13 C ATOM 931 OH TYR A 62 18.487 -14.752 -6.376 1.00 41.34 O ATOM 0 H TYR A 62 21.307 -17.573 -13.400 1.00 51.45 H new ATOM 0 HA TYR A 62 18.916 -16.291 -12.685 1.00 62.21 H new ATOM 0 HB2 TYR A 62 19.773 -18.076 -11.341 1.00 63.53 H new ATOM 0 HB3 TYR A 62 21.331 -17.296 -11.151 1.00 63.53 H new ATOM 0 HD1 TYR A 62 17.717 -16.888 -10.275 1.00 61.55 H new ATOM 0 HD2 TYR A 62 21.744 -15.922 -9.272 1.00 54.51 H new ATOM 0 HE1 TYR A 62 16.948 -15.867 -8.180 1.00 14.11 H new ATOM 0 HE2 TYR A 62 20.977 -14.902 -7.174 1.00 22.23 H new ATOM 0 HH TYR A 62 18.879 -13.859 -6.284 1.00 41.34 H new ATOM 941 N GLU A 63 21.582 -14.432 -12.553 1.00 22.42 N ATOM 942 CA GLU A 63 22.068 -13.074 -12.344 1.00 42.41 C ATOM 943 C GLU A 63 21.334 -12.088 -13.249 1.00 32.15 C ATOM 944 O GLU A 63 20.786 -11.089 -12.781 1.00 62.40 O ATOM 945 CB GLU A 63 23.574 -13.000 -12.608 1.00 74.50 C ATOM 946 CG GLU A 63 24.419 -13.137 -11.353 1.00 10.42 C ATOM 947 CD GLU A 63 25.484 -12.062 -11.247 1.00 15.10 C ATOM 948 OE1 GLU A 63 26.597 -12.277 -11.770 1.00 22.43 O ATOM 949 OE2 GLU A 63 25.204 -11.006 -10.642 1.00 34.22 O ATOM 0 H GLU A 63 22.252 -15.055 -13.004 1.00 22.42 H new ATOM 0 HA GLU A 63 21.874 -12.803 -11.306 1.00 42.41 H new ATOM 0 HB2 GLU A 63 23.850 -13.787 -13.310 1.00 74.50 H new ATOM 0 HB3 GLU A 63 23.804 -12.049 -13.089 1.00 74.50 H new ATOM 0 HG2 GLU A 63 23.772 -13.090 -10.477 1.00 10.42 H new ATOM 0 HG3 GLU A 63 24.895 -14.117 -11.345 1.00 10.42 H new ATOM 956 N ASP A 64 21.327 -12.376 -14.545 1.00 63.33 N ATOM 957 CA ASP A 64 20.660 -11.517 -15.516 1.00 43.33 C ATOM 958 C ASP A 64 19.222 -11.233 -15.093 1.00 43.13 C ATOM 959 O ASP A 64 18.820 -10.077 -14.961 1.00 53.14 O ATOM 960 CB ASP A 64 20.679 -12.165 -16.901 1.00 60.43 C ATOM 961 CG ASP A 64 21.199 -11.228 -17.973 1.00 3.52 C ATOM 962 OD1 ASP A 64 22.302 -10.670 -17.790 1.00 21.33 O ATOM 963 OD2 ASP A 64 20.504 -11.051 -18.995 1.00 21.41 O ATOM 0 H ASP A 64 21.776 -13.198 -14.948 1.00 63.33 H new ATOM 0 HA ASP A 64 21.201 -10.571 -15.559 1.00 43.33 H new ATOM 0 HB2 ASP A 64 21.301 -13.059 -16.872 1.00 60.43 H new ATOM 0 HB3 ASP A 64 19.671 -12.487 -17.162 1.00 60.43 H new ATOM 968 N PHE A 65 18.452 -12.295 -14.883 1.00 61.22 N ATOM 969 CA PHE A 65 17.058 -12.160 -14.477 1.00 60.52 C ATOM 970 C PHE A 65 16.931 -11.243 -13.265 1.00 11.23 C ATOM 971 O PHE A 65 16.262 -10.211 -13.321 1.00 3.54 O ATOM 972 CB PHE A 65 16.463 -13.533 -14.157 1.00 21.25 C ATOM 973 CG PHE A 65 15.027 -13.676 -14.573 1.00 20.24 C ATOM 974 CD1 PHE A 65 14.697 -13.934 -15.893 1.00 61.54 C ATOM 975 CD2 PHE A 65 14.007 -13.553 -13.643 1.00 60.01 C ATOM 976 CE1 PHE A 65 13.376 -14.066 -16.279 1.00 4.31 C ATOM 977 CE2 PHE A 65 12.684 -13.684 -14.023 1.00 4.33 C ATOM 978 CZ PHE A 65 12.369 -13.941 -15.342 1.00 71.43 C ATOM 0 H PHE A 65 18.770 -13.259 -14.987 1.00 61.22 H new ATOM 0 HA PHE A 65 16.506 -11.716 -15.305 1.00 60.52 H new ATOM 0 HB2 PHE A 65 17.055 -14.301 -14.654 1.00 21.25 H new ATOM 0 HB3 PHE A 65 16.542 -13.713 -13.085 1.00 21.25 H new ATOM 0 HD1 PHE A 65 15.481 -14.033 -16.629 1.00 61.54 H new ATOM 0 HD2 PHE A 65 14.248 -13.353 -12.610 1.00 60.01 H new ATOM 0 HE1 PHE A 65 13.132 -14.267 -17.312 1.00 4.31 H new ATOM 0 HE2 PHE A 65 11.898 -13.585 -13.289 1.00 4.33 H new ATOM 0 HZ PHE A 65 11.336 -14.044 -15.641 1.00 71.43 H new ATOM 988 N VAL A 66 17.577 -11.627 -12.169 1.00 22.34 N ATOM 989 CA VAL A 66 17.538 -10.840 -10.942 1.00 73.10 C ATOM 990 C VAL A 66 18.002 -9.410 -11.192 1.00 11.31 C ATOM 991 O VAL A 66 17.629 -8.490 -10.464 1.00 22.22 O ATOM 992 CB VAL A 66 18.415 -11.469 -9.843 1.00 43.53 C ATOM 993 CG1 VAL A 66 18.405 -10.604 -8.592 1.00 2.11 C ATOM 994 CG2 VAL A 66 17.945 -12.881 -9.529 1.00 44.14 C ATOM 0 H VAL A 66 18.134 -12.479 -12.106 1.00 22.34 H new ATOM 0 HA VAL A 66 16.501 -10.829 -10.606 1.00 73.10 H new ATOM 0 HB VAL A 66 19.440 -11.525 -10.209 1.00 43.53 H new ATOM 0 HG11 VAL A 66 19.030 -11.064 -7.827 1.00 2.11 H new ATOM 0 HG12 VAL A 66 18.794 -9.614 -8.831 1.00 2.11 H new ATOM 0 HG13 VAL A 66 17.384 -10.513 -8.221 1.00 2.11 H new ATOM 0 HG21 VAL A 66 18.576 -13.310 -8.751 1.00 44.14 H new ATOM 0 HG22 VAL A 66 16.912 -12.852 -9.184 1.00 44.14 H new ATOM 0 HG23 VAL A 66 18.010 -13.494 -10.428 1.00 44.14 H new ATOM 1004 N GLN A 67 18.817 -9.230 -12.226 1.00 61.12 N ATOM 1005 CA GLN A 67 19.332 -7.911 -12.572 1.00 5.41 C ATOM 1006 C GLN A 67 18.212 -7.000 -13.064 1.00 20.24 C ATOM 1007 O GLN A 67 18.045 -5.885 -12.571 1.00 55.12 O ATOM 1008 CB GLN A 67 20.417 -8.028 -13.644 1.00 24.42 C ATOM 1009 CG GLN A 67 21.748 -7.418 -13.233 1.00 34.02 C ATOM 1010 CD GLN A 67 22.872 -7.774 -14.185 1.00 41.12 C ATOM 1011 OE1 GLN A 67 22.839 -8.815 -14.842 1.00 55.45 O ATOM 1012 NE2 GLN A 67 23.877 -6.909 -14.265 1.00 33.11 N ATOM 0 H GLN A 67 19.135 -9.981 -12.839 1.00 61.12 H new ATOM 0 HA GLN A 67 19.765 -7.472 -11.673 1.00 5.41 H new ATOM 0 HB2 GLN A 67 20.568 -9.081 -13.883 1.00 24.42 H new ATOM 0 HB3 GLN A 67 20.070 -7.541 -14.555 1.00 24.42 H new ATOM 0 HG2 GLN A 67 21.647 -6.334 -13.185 1.00 34.02 H new ATOM 0 HG3 GLN A 67 22.005 -7.759 -12.230 1.00 34.02 H new ATOM 0 HE21 GLN A 67 23.864 -6.058 -13.702 1.00 33.11 H new ATOM 0 HE22 GLN A 67 24.662 -7.095 -14.889 1.00 33.11 H new ATOM 1021 N MET A 68 17.448 -7.484 -14.038 1.00 11.54 N ATOM 1022 CA MET A 68 16.343 -6.713 -14.595 1.00 54.21 C ATOM 1023 C MET A 68 15.314 -6.381 -13.519 1.00 11.12 C ATOM 1024 O MET A 68 14.681 -5.326 -13.556 1.00 44.11 O ATOM 1025 CB MET A 68 15.675 -7.488 -15.733 1.00 44.41 C ATOM 1026 CG MET A 68 15.218 -6.605 -16.883 1.00 43.21 C ATOM 1027 SD MET A 68 15.990 -7.051 -18.450 1.00 70.15 S ATOM 1028 CE MET A 68 16.193 -5.437 -19.199 1.00 43.25 C ATOM 0 H MET A 68 17.574 -8.405 -14.457 1.00 11.54 H new ATOM 0 HA MET A 68 16.746 -5.780 -14.988 1.00 54.21 H new ATOM 0 HB2 MET A 68 16.374 -8.233 -16.113 1.00 44.41 H new ATOM 0 HB3 MET A 68 14.816 -8.029 -15.338 1.00 44.41 H new ATOM 0 HG2 MET A 68 14.135 -6.676 -16.983 1.00 43.21 H new ATOM 0 HG3 MET A 68 15.449 -5.565 -16.652 1.00 43.21 H new ATOM 0 HE1 MET A 68 16.660 -5.546 -20.178 1.00 43.25 H new ATOM 0 HE2 MET A 68 15.218 -4.963 -19.313 1.00 43.25 H new ATOM 0 HE3 MET A 68 16.825 -4.818 -18.563 1.00 43.25 H new ATOM 1038 N MET A 69 15.152 -7.288 -12.561 1.00 71.44 N ATOM 1039 CA MET A 69 14.200 -7.090 -11.474 1.00 61.34 C ATOM 1040 C MET A 69 14.599 -5.897 -10.613 1.00 5.51 C ATOM 1041 O MET A 69 13.754 -5.265 -9.977 1.00 62.43 O ATOM 1042 CB MET A 69 14.110 -8.350 -10.611 1.00 2.02 C ATOM 1043 CG MET A 69 13.149 -8.217 -9.441 1.00 21.23 C ATOM 1044 SD MET A 69 11.434 -8.041 -9.967 1.00 73.14 S ATOM 1045 CE MET A 69 10.760 -7.084 -8.612 1.00 11.32 C ATOM 0 H MET A 69 15.667 -8.167 -12.515 1.00 71.44 H new ATOM 0 HA MET A 69 13.223 -6.888 -11.912 1.00 61.34 H new ATOM 0 HB2 MET A 69 13.796 -9.187 -11.235 1.00 2.02 H new ATOM 0 HB3 MET A 69 15.102 -8.591 -10.230 1.00 2.02 H new ATOM 0 HG2 MET A 69 13.240 -9.094 -8.800 1.00 21.23 H new ATOM 0 HG3 MET A 69 13.431 -7.352 -8.841 1.00 21.23 H new ATOM 0 HE1 MET A 69 9.749 -7.427 -8.392 1.00 11.32 H new ATOM 0 HE2 MET A 69 11.387 -7.211 -7.729 1.00 11.32 H new ATOM 0 HE3 MET A 69 10.733 -6.030 -8.889 1.00 11.32 H new ATOM 1055 N THR A 70 15.893 -5.591 -10.595 1.00 63.25 N ATOM 1056 CA THR A 70 16.405 -4.474 -9.811 1.00 75.40 C ATOM 1057 C THR A 70 16.151 -3.146 -10.515 1.00 33.31 C ATOM 1058 O THR A 70 16.017 -2.107 -9.870 1.00 14.11 O ATOM 1059 CB THR A 70 17.914 -4.620 -9.544 1.00 25.34 C ATOM 1060 OG1 THR A 70 18.180 -5.876 -8.909 1.00 65.21 O ATOM 1061 CG2 THR A 70 18.421 -3.486 -8.666 1.00 13.42 C ATOM 0 H THR A 70 16.606 -6.102 -11.115 1.00 63.25 H new ATOM 0 HA THR A 70 15.873 -4.485 -8.860 1.00 75.40 H new ATOM 0 HB THR A 70 18.435 -4.579 -10.501 1.00 25.34 H new ATOM 0 HG1 THR A 70 17.971 -6.606 -9.528 1.00 65.21 H new ATOM 0 HG21 THR A 70 19.490 -3.611 -8.491 1.00 13.42 H new ATOM 0 HG22 THR A 70 18.244 -2.533 -9.164 1.00 13.42 H new ATOM 0 HG23 THR A 70 17.893 -3.500 -7.712 1.00 13.42 H new ATOM 1069 N ALA A 71 16.085 -3.188 -11.842 1.00 22.14 N ATOM 1070 CA ALA A 71 15.845 -1.988 -12.633 1.00 15.22 C ATOM 1071 C ALA A 71 14.443 -1.440 -12.387 1.00 74.42 C ATOM 1072 O ALA A 71 14.275 -0.384 -11.777 1.00 20.53 O ATOM 1073 CB ALA A 71 16.047 -2.281 -14.112 1.00 21.20 C ATOM 0 H ALA A 71 16.194 -4.040 -12.391 1.00 22.14 H new ATOM 0 HA ALA A 71 16.563 -1.229 -12.323 1.00 15.22 H new ATOM 0 HB1 ALA A 71 15.864 -1.375 -14.691 1.00 21.20 H new ATOM 0 HB2 ALA A 71 17.070 -2.619 -14.280 1.00 21.20 H new ATOM 0 HB3 ALA A 71 15.352 -3.059 -14.427 1.00 21.20 H new ATOM 1079 N LYS A 72 13.437 -2.165 -12.867 1.00 43.43 N ATOM 1080 CA LYS A 72 12.049 -1.753 -12.700 1.00 13.41 C ATOM 1081 C LYS A 72 11.694 -1.624 -11.222 1.00 34.40 C ATOM 1082 O LYS A 72 11.583 -0.505 -10.725 1.00 5.23 O ATOM 1083 CB LYS A 72 11.112 -2.757 -13.375 1.00 62.20 C ATOM 1084 CG LYS A 72 9.793 -2.153 -13.823 1.00 52.31 C ATOM 1085 CD LYS A 72 9.372 -2.679 -15.185 1.00 21.31 C ATOM 1086 CE LYS A 72 7.945 -3.205 -15.163 1.00 21.13 C ATOM 1087 NZ LYS A 72 7.720 -4.242 -16.207 1.00 54.05 N ATOM 0 H LYS A 72 13.558 -3.041 -13.375 1.00 43.43 H new ATOM 0 HA LYS A 72 11.927 -0.778 -13.172 1.00 13.41 H new ATOM 0 HB2 LYS A 72 11.617 -3.188 -14.240 1.00 62.20 H new ATOM 0 HB3 LYS A 72 10.911 -3.575 -12.683 1.00 62.20 H new ATOM 0 HG2 LYS A 72 9.020 -2.381 -13.089 1.00 52.31 H new ATOM 0 HG3 LYS A 72 9.884 -1.068 -13.864 1.00 52.31 H new ATOM 0 HD2 LYS A 72 9.456 -1.883 -15.925 1.00 21.31 H new ATOM 0 HD3 LYS A 72 10.050 -3.475 -15.494 1.00 21.31 H new ATOM 0 HE2 LYS A 72 7.728 -3.625 -14.181 1.00 21.13 H new ATOM 0 HE3 LYS A 72 7.251 -2.379 -15.316 1.00 21.13 H new ATOM 0 HZ1 LYS A 72 6.736 -4.575 -16.159 1.00 54.05 H new ATOM 0 HZ2 LYS A 72 7.902 -3.834 -17.146 1.00 54.05 H new ATOM 0 HZ3 LYS A 72 8.364 -5.042 -16.046 1.00 54.05 H new TER 1101 LYS A 72