USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=11 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 -177:sc= -0.307 (180deg=-0.318) USER MOD Set 1.2: A 48 MET CE :methyl -124:sc= -1.62 (180deg=-0.911) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 164:sc= 0.00191 (180deg=0) 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= 0.753 K(o=0.75,f=-0.021) 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= -0.0118 X(o=-0.012,f=-0.037) USER MOD Single : A 34 THR OG1 : rot 83:sc= 0.0921 USER MOD Single : A 35 ASN : amide:sc= -0.139 K(o=-0.14,f=-2) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= -1.97 K(o=-2,f=-4.7!) USER MOD Single : A 62 TYR OH : rot -30:sc= -1.23 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 60:sc= 0.69 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.753 -5.193 6.009 1.00 43.22 N ATOM 2 CA MET A 1 3.160 -6.238 5.183 1.00 15.10 C ATOM 3 C MET A 1 3.822 -6.288 3.810 1.00 25.51 C ATOM 4 O MET A 1 4.288 -5.270 3.297 1.00 34.53 O ATOM 5 CB MET A 1 1.656 -6.002 5.028 1.00 71.42 C ATOM 6 CG MET A 1 0.809 -7.205 5.413 1.00 5.34 C ATOM 7 SD MET A 1 0.069 -7.037 7.049 1.00 53.13 S ATOM 8 CE MET A 1 -1.261 -8.232 6.942 1.00 12.13 C ATOM 0 H1 MET A 1 3.129 -4.992 6.816 1.00 43.22 H new ATOM 0 H2 MET A 1 4.679 -5.511 6.359 1.00 43.22 H new ATOM 0 H3 MET A 1 3.875 -4.330 5.442 1.00 43.22 H new ATOM 0 HA MET A 1 3.322 -7.195 5.680 1.00 15.10 H new ATOM 0 HB2 MET A 1 1.365 -5.151 5.644 1.00 71.42 H new ATOM 0 HB3 MET A 1 1.443 -5.734 3.993 1.00 71.42 H new ATOM 0 HG2 MET A 1 0.020 -7.341 4.674 1.00 5.34 H new ATOM 0 HG3 MET A 1 1.427 -8.103 5.388 1.00 5.34 H new ATOM 0 HE1 MET A 1 -1.814 -8.246 7.881 1.00 12.13 H new ATOM 0 HE2 MET A 1 -1.933 -7.957 6.129 1.00 12.13 H new ATOM 0 HE3 MET A 1 -0.846 -9.222 6.751 1.00 12.13 H new ATOM 18 N ASP A 2 3.862 -7.478 3.221 1.00 64.40 N ATOM 19 CA ASP A 2 4.468 -7.661 1.907 1.00 70.01 C ATOM 20 C ASP A 2 3.894 -6.668 0.901 1.00 33.12 C ATOM 21 O ASP A 2 2.677 -6.511 0.792 1.00 61.43 O ATOM 22 CB ASP A 2 4.246 -9.092 1.414 1.00 52.42 C ATOM 23 CG ASP A 2 5.544 -9.858 1.256 1.00 44.11 C ATOM 24 OD1 ASP A 2 6.114 -10.279 2.285 1.00 71.24 O ATOM 25 OD2 ASP A 2 5.991 -10.037 0.104 1.00 73.13 O ATOM 0 H ASP A 2 3.482 -8.330 3.633 1.00 64.40 H new ATOM 0 HA ASP A 2 5.539 -7.479 1.999 1.00 70.01 H new ATOM 0 HB2 ASP A 2 3.600 -9.619 2.116 1.00 52.42 H new ATOM 0 HB3 ASP A 2 3.724 -9.067 0.458 1.00 52.42 H new ATOM 30 N THR A 3 4.777 -5.998 0.168 1.00 4.33 N ATOM 31 CA THR A 3 4.359 -5.018 -0.827 1.00 22.34 C ATOM 32 C THR A 3 4.807 -5.429 -2.225 1.00 31.14 C ATOM 33 O THR A 3 4.079 -5.243 -3.200 1.00 35.53 O ATOM 34 CB THR A 3 4.922 -3.620 -0.510 1.00 2.02 C ATOM 35 OG1 THR A 3 6.326 -3.707 -0.240 1.00 51.43 O ATOM 36 CG2 THR A 3 4.208 -3.007 0.685 1.00 21.14 C ATOM 0 H THR A 3 5.787 -6.116 0.245 1.00 4.33 H new ATOM 0 HA THR A 3 3.270 -4.979 -0.794 1.00 22.34 H new ATOM 0 HB THR A 3 4.758 -2.981 -1.378 1.00 2.02 H new ATOM 0 HG1 THR A 3 6.677 -2.814 -0.041 1.00 51.43 H new ATOM 0 HG21 THR A 3 4.623 -2.020 0.890 1.00 21.14 H new ATOM 0 HG22 THR A 3 3.144 -2.915 0.465 1.00 21.14 H new ATOM 0 HG23 THR A 3 4.344 -3.646 1.557 1.00 21.14 H new ATOM 44 N ASP A 4 6.008 -5.989 -2.315 1.00 44.53 N ATOM 45 CA ASP A 4 6.553 -6.428 -3.595 1.00 53.30 C ATOM 46 C ASP A 4 7.310 -7.743 -3.441 1.00 3.33 C ATOM 47 O ASP A 4 7.813 -8.058 -2.362 1.00 74.31 O ATOM 48 CB ASP A 4 7.478 -5.357 -4.174 1.00 50.45 C ATOM 49 CG ASP A 4 6.774 -4.464 -5.177 1.00 54.20 C ATOM 50 OD1 ASP A 4 5.675 -3.963 -4.857 1.00 2.42 O ATOM 51 OD2 ASP A 4 7.321 -4.265 -6.282 1.00 21.45 O ATOM 0 H ASP A 4 6.623 -6.150 -1.517 1.00 44.53 H new ATOM 0 HA ASP A 4 5.721 -6.587 -4.281 1.00 53.30 H new ATOM 0 HB2 ASP A 4 7.874 -4.746 -3.363 1.00 50.45 H new ATOM 0 HB3 ASP A 4 8.329 -5.838 -4.655 1.00 50.45 H new ATOM 56 N SER A 5 7.387 -8.506 -4.526 1.00 24.31 N ATOM 57 CA SER A 5 8.079 -9.790 -4.510 1.00 4.20 C ATOM 58 C SER A 5 9.541 -9.624 -4.914 1.00 41.13 C ATOM 59 O SER A 5 9.852 -8.940 -5.888 1.00 43.35 O ATOM 60 CB SER A 5 7.387 -10.778 -5.451 1.00 23.04 C ATOM 61 OG SER A 5 5.993 -10.829 -5.201 1.00 23.13 O ATOM 0 H SER A 5 6.979 -8.258 -5.427 1.00 24.31 H new ATOM 0 HA SER A 5 8.043 -10.182 -3.493 1.00 4.20 H new ATOM 0 HB2 SER A 5 7.564 -10.484 -6.486 1.00 23.04 H new ATOM 0 HB3 SER A 5 7.819 -11.770 -5.323 1.00 23.04 H new ATOM 0 HG SER A 5 5.573 -11.466 -5.816 1.00 23.13 H new ATOM 67 N GLU A 6 10.433 -10.256 -4.158 1.00 3.32 N ATOM 68 CA GLU A 6 11.862 -10.177 -4.437 1.00 24.44 C ATOM 69 C GLU A 6 12.596 -11.385 -3.860 1.00 1.20 C ATOM 70 O GLU A 6 13.328 -12.075 -4.569 1.00 33.35 O ATOM 71 CB GLU A 6 12.448 -8.887 -3.858 1.00 75.33 C ATOM 72 CG GLU A 6 13.944 -8.744 -4.082 1.00 14.22 C ATOM 73 CD GLU A 6 14.751 -9.048 -2.835 1.00 45.31 C ATOM 74 OE1 GLU A 6 15.059 -10.235 -2.601 1.00 73.13 O ATOM 75 OE2 GLU A 6 15.077 -8.097 -2.093 1.00 54.13 O ATOM 0 H GLU A 6 10.192 -10.828 -3.349 1.00 3.32 H new ATOM 0 HA GLU A 6 11.995 -10.174 -5.519 1.00 24.44 H new ATOM 0 HB2 GLU A 6 11.939 -8.034 -4.306 1.00 75.33 H new ATOM 0 HB3 GLU A 6 12.245 -8.854 -2.788 1.00 75.33 H new ATOM 0 HG2 GLU A 6 14.254 -9.415 -4.883 1.00 14.22 H new ATOM 0 HG3 GLU A 6 14.163 -7.729 -4.414 1.00 14.22 H new ATOM 82 N GLU A 7 12.394 -11.632 -2.569 1.00 45.43 N ATOM 83 CA GLU A 7 13.038 -12.754 -1.897 1.00 60.33 C ATOM 84 C GLU A 7 12.288 -14.055 -2.171 1.00 40.23 C ATOM 85 O GLU A 7 12.896 -15.114 -2.319 1.00 63.11 O ATOM 86 CB GLU A 7 13.110 -12.502 -0.390 1.00 32.11 C ATOM 87 CG GLU A 7 14.289 -13.181 0.285 1.00 25.04 C ATOM 88 CD GLU A 7 14.087 -13.354 1.778 1.00 33.21 C ATOM 89 OE1 GLU A 7 13.371 -12.527 2.380 1.00 32.11 O ATOM 90 OE2 GLU A 7 14.645 -14.318 2.344 1.00 15.21 O ATOM 0 H GLU A 7 11.790 -11.071 -1.969 1.00 45.43 H new ATOM 0 HA GLU A 7 14.050 -12.848 -2.291 1.00 60.33 H new ATOM 0 HB2 GLU A 7 13.169 -11.428 -0.212 1.00 32.11 H new ATOM 0 HB3 GLU A 7 12.187 -12.851 0.073 1.00 32.11 H new ATOM 0 HG2 GLU A 7 14.451 -14.158 -0.171 1.00 25.04 H new ATOM 0 HG3 GLU A 7 15.190 -12.594 0.110 1.00 25.04 H new ATOM 97 N GLU A 8 10.963 -13.965 -2.237 1.00 3.42 N ATOM 98 CA GLU A 8 10.130 -15.134 -2.491 1.00 64.14 C ATOM 99 C GLU A 8 10.401 -15.703 -3.882 1.00 10.55 C ATOM 100 O GLU A 8 10.019 -16.833 -4.186 1.00 41.24 O ATOM 101 CB GLU A 8 8.650 -14.773 -2.356 1.00 12.35 C ATOM 102 CG GLU A 8 8.011 -15.293 -1.079 1.00 71.40 C ATOM 103 CD GLU A 8 8.765 -14.868 0.166 1.00 33.31 C ATOM 104 OE1 GLU A 8 9.789 -15.508 0.486 1.00 11.40 O ATOM 105 OE2 GLU A 8 8.331 -13.897 0.820 1.00 21.34 O ATOM 0 H GLU A 8 10.444 -13.095 -2.118 1.00 3.42 H new ATOM 0 HA GLU A 8 10.380 -15.894 -1.751 1.00 64.14 H new ATOM 0 HB2 GLU A 8 8.545 -13.689 -2.390 1.00 12.35 H new ATOM 0 HB3 GLU A 8 8.107 -15.173 -3.213 1.00 12.35 H new ATOM 0 HG2 GLU A 8 6.984 -14.932 -1.018 1.00 71.40 H new ATOM 0 HG3 GLU A 8 7.965 -16.381 -1.117 1.00 71.40 H new ATOM 112 N ILE A 9 11.061 -14.911 -4.720 1.00 1.32 N ATOM 113 CA ILE A 9 11.383 -15.335 -6.077 1.00 2.43 C ATOM 114 C ILE A 9 12.655 -16.175 -6.103 1.00 21.33 C ATOM 115 O ILE A 9 12.744 -17.162 -6.833 1.00 62.23 O ATOM 116 CB ILE A 9 11.560 -14.127 -7.017 1.00 32.44 C ATOM 117 CG1 ILE A 9 10.283 -13.285 -7.045 1.00 42.53 C ATOM 118 CG2 ILE A 9 11.923 -14.596 -8.418 1.00 4.23 C ATOM 119 CD1 ILE A 9 10.466 -11.933 -7.700 1.00 1.05 C ATOM 0 H ILE A 9 11.383 -13.973 -4.483 1.00 1.32 H new ATOM 0 HA ILE A 9 10.545 -15.938 -6.427 1.00 2.43 H new ATOM 0 HB ILE A 9 12.374 -13.507 -6.640 1.00 32.44 H new ATOM 0 HG12 ILE A 9 9.506 -13.835 -7.576 1.00 42.53 H new ATOM 0 HG13 ILE A 9 9.930 -13.140 -6.024 1.00 42.53 H new ATOM 0 HG21 ILE A 9 12.045 -13.732 -9.071 1.00 4.23 H new ATOM 0 HG22 ILE A 9 12.856 -15.159 -8.383 1.00 4.23 H new ATOM 0 HG23 ILE A 9 11.129 -15.234 -8.805 1.00 4.23 H new ATOM 0 HD11 ILE A 9 9.521 -11.390 -7.685 1.00 1.05 H new ATOM 0 HD12 ILE A 9 11.220 -11.364 -7.156 1.00 1.05 H new ATOM 0 HD13 ILE A 9 10.789 -12.069 -8.732 1.00 1.05 H new ATOM 131 N ARG A 10 13.637 -15.779 -5.299 1.00 54.43 N ATOM 132 CA ARG A 10 14.904 -16.496 -5.229 1.00 51.15 C ATOM 133 C ARG A 10 14.674 -17.981 -4.962 1.00 43.44 C ATOM 134 O ARG A 10 15.348 -18.835 -5.536 1.00 65.22 O ATOM 135 CB ARG A 10 15.791 -15.901 -4.135 1.00 24.15 C ATOM 136 CG ARG A 10 17.017 -16.743 -3.819 1.00 73.32 C ATOM 137 CD ARG A 10 18.124 -15.905 -3.200 1.00 23.41 C ATOM 138 NE ARG A 10 19.396 -16.622 -3.162 1.00 4.24 N ATOM 139 CZ ARG A 10 20.543 -16.064 -2.788 1.00 32.42 C ATOM 140 NH1 ARG A 10 20.576 -14.791 -2.422 1.00 0.53 N ATOM 141 NH2 ARG A 10 21.659 -16.782 -2.779 1.00 51.11 N ATOM 0 H ARG A 10 13.579 -14.965 -4.687 1.00 54.43 H new ATOM 0 HA ARG A 10 15.406 -16.391 -6.191 1.00 51.15 H new ATOM 0 HB2 ARG A 10 16.113 -14.906 -4.442 1.00 24.15 H new ATOM 0 HB3 ARG A 10 15.201 -15.779 -3.227 1.00 24.15 H new ATOM 0 HG2 ARG A 10 16.742 -17.546 -3.135 1.00 73.32 H new ATOM 0 HG3 ARG A 10 17.382 -17.213 -4.732 1.00 73.32 H new ATOM 0 HD2 ARG A 10 18.244 -14.984 -3.770 1.00 23.41 H new ATOM 0 HD3 ARG A 10 17.839 -15.618 -2.188 1.00 23.41 H new ATOM 0 HE ARG A 10 19.405 -17.604 -3.437 1.00 4.24 H new ATOM 0 HH11 ARG A 10 19.720 -14.237 -2.427 1.00 0.53 H new ATOM 0 HH12 ARG A 10 21.458 -14.365 -2.135 1.00 0.53 H new ATOM 0 HH21 ARG A 10 21.637 -17.763 -3.059 1.00 51.11 H new ATOM 0 HH22 ARG A 10 22.539 -16.353 -2.492 1.00 51.11 H new ATOM 155 N GLU A 11 13.719 -18.278 -4.088 1.00 33.45 N ATOM 156 CA GLU A 11 13.402 -19.660 -3.744 1.00 40.30 C ATOM 157 C GLU A 11 12.482 -20.283 -4.790 1.00 32.14 C ATOM 158 O GLU A 11 12.435 -21.503 -4.943 1.00 24.24 O ATOM 159 CB GLU A 11 12.744 -19.728 -2.364 1.00 41.53 C ATOM 160 CG GLU A 11 13.669 -19.325 -1.228 1.00 43.33 C ATOM 161 CD GLU A 11 12.921 -18.743 -0.045 1.00 11.41 C ATOM 162 OE1 GLU A 11 12.103 -19.471 0.556 1.00 41.04 O ATOM 163 OE2 GLU A 11 13.152 -17.560 0.281 1.00 44.44 O ATOM 0 H GLU A 11 13.151 -17.582 -3.605 1.00 33.45 H new ATOM 0 HA GLU A 11 14.334 -20.225 -3.722 1.00 40.30 H new ATOM 0 HB2 GLU A 11 11.868 -19.079 -2.356 1.00 41.53 H new ATOM 0 HB3 GLU A 11 12.389 -20.744 -2.190 1.00 41.53 H new ATOM 0 HG2 GLU A 11 14.237 -20.196 -0.901 1.00 43.33 H new ATOM 0 HG3 GLU A 11 14.389 -18.593 -1.593 1.00 43.33 H new ATOM 170 N ALA A 12 11.751 -19.436 -5.506 1.00 54.33 N ATOM 171 CA ALA A 12 10.833 -19.902 -6.538 1.00 72.20 C ATOM 172 C ALA A 12 11.589 -20.542 -7.697 1.00 63.02 C ATOM 173 O ALA A 12 11.149 -21.544 -8.262 1.00 14.52 O ATOM 174 CB ALA A 12 9.972 -18.752 -7.038 1.00 50.51 C ATOM 0 H ALA A 12 11.776 -18.423 -5.391 1.00 54.33 H new ATOM 0 HA ALA A 12 10.186 -20.660 -6.097 1.00 72.20 H new ATOM 0 HB1 ALA A 12 9.292 -19.115 -7.808 1.00 50.51 H new ATOM 0 HB2 ALA A 12 9.396 -18.342 -6.209 1.00 50.51 H new ATOM 0 HB3 ALA A 12 10.611 -17.974 -7.456 1.00 50.51 H new ATOM 180 N PHE A 13 12.730 -19.957 -8.048 1.00 72.20 N ATOM 181 CA PHE A 13 13.547 -20.470 -9.142 1.00 11.43 C ATOM 182 C PHE A 13 14.428 -21.622 -8.669 1.00 31.23 C ATOM 183 O PHE A 13 14.922 -22.411 -9.474 1.00 75.43 O ATOM 184 CB PHE A 13 14.417 -19.353 -9.723 1.00 71.21 C ATOM 185 CG PHE A 13 13.762 -18.609 -10.852 1.00 23.41 C ATOM 186 CD1 PHE A 13 12.983 -17.491 -10.602 1.00 62.04 C ATOM 187 CD2 PHE A 13 13.926 -19.028 -12.162 1.00 65.04 C ATOM 188 CE1 PHE A 13 12.379 -16.805 -11.639 1.00 61.43 C ATOM 189 CE2 PHE A 13 13.325 -18.346 -13.203 1.00 62.05 C ATOM 190 CZ PHE A 13 12.551 -17.233 -12.941 1.00 43.45 C ATOM 0 H PHE A 13 13.110 -19.128 -7.591 1.00 72.20 H new ATOM 0 HA PHE A 13 12.879 -20.842 -9.918 1.00 11.43 H new ATOM 0 HB2 PHE A 13 14.666 -18.648 -8.930 1.00 71.21 H new ATOM 0 HB3 PHE A 13 15.355 -19.781 -10.076 1.00 71.21 H new ATOM 0 HD1 PHE A 13 12.846 -17.152 -9.586 1.00 62.04 H new ATOM 0 HD2 PHE A 13 14.531 -19.898 -12.372 1.00 65.04 H new ATOM 0 HE1 PHE A 13 11.773 -15.935 -11.431 1.00 61.43 H new ATOM 0 HE2 PHE A 13 13.461 -18.683 -14.220 1.00 62.05 H new ATOM 0 HZ PHE A 13 12.081 -16.698 -13.753 1.00 43.45 H new ATOM 200 N ARG A 14 14.621 -21.712 -7.357 1.00 11.42 N ATOM 201 CA ARG A 14 15.443 -22.766 -6.776 1.00 5.23 C ATOM 202 C ARG A 14 14.643 -24.055 -6.616 1.00 54.23 C ATOM 203 O ARG A 14 15.170 -25.152 -6.798 1.00 21.34 O ATOM 204 CB ARG A 14 15.993 -22.323 -5.418 1.00 63.24 C ATOM 205 CG ARG A 14 17.314 -22.980 -5.053 1.00 23.11 C ATOM 206 CD ARG A 14 17.589 -22.887 -3.560 1.00 54.11 C ATOM 207 NE ARG A 14 18.623 -21.903 -3.254 1.00 45.21 N ATOM 208 CZ ARG A 14 18.890 -21.474 -2.025 1.00 55.04 C ATOM 209 NH1 ARG A 14 18.201 -21.941 -0.993 1.00 54.41 N ATOM 210 NH2 ARG A 14 19.847 -20.577 -1.827 1.00 52.23 N ATOM 0 H ARG A 14 14.219 -21.067 -6.676 1.00 11.42 H new ATOM 0 HA ARG A 14 16.275 -22.957 -7.453 1.00 5.23 H new ATOM 0 HB2 ARG A 14 16.124 -21.241 -5.424 1.00 63.24 H new ATOM 0 HB3 ARG A 14 15.258 -22.551 -4.646 1.00 63.24 H new ATOM 0 HG2 ARG A 14 17.297 -24.027 -5.356 1.00 23.11 H new ATOM 0 HG3 ARG A 14 18.124 -22.502 -5.604 1.00 23.11 H new ATOM 0 HD2 ARG A 14 16.670 -22.621 -3.038 1.00 54.11 H new ATOM 0 HD3 ARG A 14 17.896 -23.864 -3.187 1.00 54.11 H new ATOM 0 HE ARG A 14 19.171 -21.524 -4.026 1.00 45.21 H new ATOM 0 HH11 ARG A 14 17.465 -22.631 -1.142 1.00 54.41 H new ATOM 0 HH12 ARG A 14 18.407 -21.610 -0.050 1.00 54.41 H new ATOM 0 HH21 ARG A 14 20.379 -20.216 -2.619 1.00 52.23 H new ATOM 0 HH22 ARG A 14 20.051 -20.249 -0.883 1.00 52.23 H new ATOM 224 N VAL A 15 13.366 -23.914 -6.276 1.00 15.35 N ATOM 225 CA VAL A 15 12.491 -25.066 -6.092 1.00 64.11 C ATOM 226 C VAL A 15 12.204 -25.755 -7.422 1.00 14.35 C ATOM 227 O VAL A 15 11.890 -26.945 -7.462 1.00 3.34 O ATOM 228 CB VAL A 15 11.158 -24.660 -5.437 1.00 74.44 C ATOM 229 CG1 VAL A 15 10.221 -25.855 -5.349 1.00 75.32 C ATOM 230 CG2 VAL A 15 11.401 -24.061 -4.061 1.00 1.43 C ATOM 0 H VAL A 15 12.914 -23.013 -6.122 1.00 15.35 H new ATOM 0 HA VAL A 15 13.014 -25.759 -5.433 1.00 64.11 H new ATOM 0 HB VAL A 15 10.684 -23.901 -6.059 1.00 74.44 H new ATOM 0 HG11 VAL A 15 9.284 -25.549 -4.883 1.00 75.32 H new ATOM 0 HG12 VAL A 15 10.021 -26.235 -6.351 1.00 75.32 H new ATOM 0 HG13 VAL A 15 10.685 -26.638 -4.750 1.00 75.32 H new ATOM 0 HG21 VAL A 15 10.448 -23.780 -3.613 1.00 1.43 H new ATOM 0 HG22 VAL A 15 11.897 -24.796 -3.427 1.00 1.43 H new ATOM 0 HG23 VAL A 15 12.032 -23.177 -4.155 1.00 1.43 H new ATOM 240 N PHE A 16 12.312 -24.999 -8.509 1.00 4.41 N ATOM 241 CA PHE A 16 12.063 -25.536 -9.842 1.00 4.34 C ATOM 242 C PHE A 16 13.241 -26.382 -10.316 1.00 3.13 C ATOM 243 O PHE A 16 13.116 -27.593 -10.496 1.00 25.44 O ATOM 244 CB PHE A 16 11.806 -24.399 -10.833 1.00 11.12 C ATOM 245 CG PHE A 16 10.353 -24.046 -10.976 1.00 0.22 C ATOM 246 CD1 PHE A 16 9.564 -23.838 -9.856 1.00 54.34 C ATOM 247 CD2 PHE A 16 9.777 -23.923 -12.230 1.00 13.52 C ATOM 248 CE1 PHE A 16 8.226 -23.512 -9.984 1.00 63.34 C ATOM 249 CE2 PHE A 16 8.440 -23.597 -12.364 1.00 42.00 C ATOM 250 CZ PHE A 16 7.664 -23.393 -11.240 1.00 52.20 C ATOM 0 H PHE A 16 12.570 -24.012 -8.493 1.00 4.41 H new ATOM 0 HA PHE A 16 11.179 -26.171 -9.791 1.00 4.34 H new ATOM 0 HB2 PHE A 16 12.356 -23.515 -10.511 1.00 11.12 H new ATOM 0 HB3 PHE A 16 12.201 -24.682 -11.809 1.00 11.12 H new ATOM 0 HD1 PHE A 16 9.999 -23.932 -8.872 1.00 54.34 H new ATOM 0 HD2 PHE A 16 10.379 -24.083 -13.112 1.00 13.52 H new ATOM 0 HE1 PHE A 16 7.622 -23.351 -9.103 1.00 63.34 H new ATOM 0 HE2 PHE A 16 8.003 -23.502 -13.347 1.00 42.00 H new ATOM 0 HZ PHE A 16 6.619 -23.141 -11.343 1.00 52.20 H new ATOM 260 N ASP A 17 14.384 -25.735 -10.517 1.00 12.33 N ATOM 261 CA ASP A 17 15.585 -26.427 -10.969 1.00 41.55 C ATOM 262 C ASP A 17 16.040 -27.456 -9.940 1.00 1.13 C ATOM 263 O ASP A 17 16.413 -27.107 -8.820 1.00 4.34 O ATOM 264 CB ASP A 17 16.708 -25.423 -11.236 1.00 12.41 C ATOM 265 CG ASP A 17 17.891 -26.052 -11.944 1.00 41.05 C ATOM 266 OD1 ASP A 17 17.847 -27.273 -12.203 1.00 55.42 O ATOM 267 OD2 ASP A 17 18.862 -25.324 -12.240 1.00 2.14 O ATOM 0 H ASP A 17 14.504 -24.732 -10.374 1.00 12.33 H new ATOM 0 HA ASP A 17 15.346 -26.949 -11.896 1.00 41.55 H new ATOM 0 HB2 ASP A 17 16.321 -24.602 -11.840 1.00 12.41 H new ATOM 0 HB3 ASP A 17 17.040 -24.994 -10.291 1.00 12.41 H new ATOM 272 N LYS A 18 16.006 -28.727 -10.326 1.00 15.21 N ATOM 273 CA LYS A 18 16.414 -29.808 -9.438 1.00 22.34 C ATOM 274 C LYS A 18 17.875 -29.653 -9.028 1.00 22.14 C ATOM 275 O LYS A 18 18.665 -29.025 -9.734 1.00 35.33 O ATOM 276 CB LYS A 18 16.206 -31.162 -10.120 1.00 30.44 C ATOM 277 CG LYS A 18 17.145 -31.406 -11.288 1.00 44.20 C ATOM 278 CD LYS A 18 16.404 -31.957 -12.494 1.00 52.24 C ATOM 279 CE LYS A 18 16.979 -31.419 -13.796 1.00 30.13 C ATOM 280 NZ LYS A 18 17.686 -32.478 -14.569 1.00 14.40 N ATOM 0 H LYS A 18 15.700 -29.033 -11.249 1.00 15.21 H new ATOM 0 HA LYS A 18 15.796 -29.761 -8.541 1.00 22.34 H new ATOM 0 HB2 LYS A 18 16.342 -31.955 -9.384 1.00 30.44 H new ATOM 0 HB3 LYS A 18 15.177 -31.227 -10.473 1.00 30.44 H new ATOM 0 HG2 LYS A 18 17.640 -30.473 -11.559 1.00 44.20 H new ATOM 0 HG3 LYS A 18 17.925 -32.106 -10.989 1.00 44.20 H new ATOM 0 HD2 LYS A 18 16.462 -33.045 -12.492 1.00 52.24 H new ATOM 0 HD3 LYS A 18 15.348 -31.694 -12.425 1.00 52.24 H new ATOM 0 HE2 LYS A 18 16.176 -31.001 -14.403 1.00 30.13 H new ATOM 0 HE3 LYS A 18 17.670 -30.605 -13.579 1.00 30.13 H new ATOM 0 HZ1 LYS A 18 18.063 -32.072 -15.449 1.00 14.40 H new ATOM 0 HZ2 LYS A 18 18.469 -32.859 -14.000 1.00 14.40 H new ATOM 0 HZ3 LYS A 18 17.020 -33.243 -14.798 1.00 14.40 H new ATOM 294 N ASP A 19 18.228 -30.230 -7.884 1.00 44.41 N ATOM 295 CA ASP A 19 19.596 -30.157 -7.382 1.00 35.33 C ATOM 296 C ASP A 19 19.990 -28.714 -7.085 1.00 51.22 C ATOM 297 O ASP A 19 19.306 -27.776 -7.494 1.00 63.32 O ATOM 298 CB ASP A 19 20.567 -30.767 -8.394 1.00 55.42 C ATOM 299 CG ASP A 19 21.821 -31.309 -7.739 1.00 22.42 C ATOM 300 OD1 ASP A 19 22.733 -30.507 -7.446 1.00 71.25 O ATOM 301 OD2 ASP A 19 21.891 -32.536 -7.517 1.00 62.24 O ATOM 0 H ASP A 19 17.587 -30.753 -7.287 1.00 44.41 H new ATOM 0 HA ASP A 19 19.647 -30.726 -6.454 1.00 35.33 H new ATOM 0 HB2 ASP A 19 20.067 -31.571 -8.934 1.00 55.42 H new ATOM 0 HB3 ASP A 19 20.842 -30.011 -9.130 1.00 55.42 H new ATOM 306 N GLY A 20 21.098 -28.543 -6.370 1.00 35.04 N ATOM 307 CA GLY A 20 21.563 -27.211 -6.029 1.00 70.34 C ATOM 308 C GLY A 20 22.156 -26.483 -7.219 1.00 41.20 C ATOM 309 O GLY A 20 23.352 -26.589 -7.487 1.00 30.00 O ATOM 0 H GLY A 20 21.682 -29.303 -6.021 1.00 35.04 H new ATOM 0 HA2 GLY A 20 20.732 -26.630 -5.629 1.00 70.34 H new ATOM 0 HA3 GLY A 20 22.312 -27.282 -5.240 1.00 70.34 H new ATOM 313 N ASN A 21 21.317 -25.742 -7.936 1.00 0.24 N ATOM 314 CA ASN A 21 21.765 -24.995 -9.105 1.00 41.42 C ATOM 315 C ASN A 21 21.018 -23.669 -9.223 1.00 24.32 C ATOM 316 O ASN A 21 20.067 -23.413 -8.486 1.00 21.20 O ATOM 317 CB ASN A 21 21.560 -25.823 -10.375 1.00 33.00 C ATOM 318 CG ASN A 21 22.870 -26.290 -10.979 1.00 20.33 C ATOM 319 OD1 ASN A 21 23.163 -26.016 -12.142 1.00 41.44 O ATOM 320 ND2 ASN A 21 23.666 -27.001 -10.188 1.00 15.02 N ATOM 0 H ASN A 21 20.323 -25.643 -7.728 1.00 0.24 H new ATOM 0 HA ASN A 21 22.828 -24.784 -8.984 1.00 41.42 H new ATOM 0 HB2 ASN A 21 20.940 -26.689 -10.144 1.00 33.00 H new ATOM 0 HB3 ASN A 21 21.016 -25.228 -11.109 1.00 33.00 H new ATOM 0 HD21 ASN A 21 24.560 -27.343 -10.539 1.00 15.02 H new ATOM 0 HD22 ASN A 21 23.383 -27.205 -9.230 1.00 15.02 H new ATOM 327 N GLY A 22 21.457 -22.830 -10.156 1.00 51.21 N ATOM 328 CA GLY A 22 20.819 -21.542 -10.354 1.00 11.50 C ATOM 329 C GLY A 22 20.673 -21.186 -11.820 1.00 51.12 C ATOM 330 O GLY A 22 21.062 -20.097 -12.244 1.00 34.22 O ATOM 0 H GLY A 22 22.243 -23.019 -10.778 1.00 51.21 H new ATOM 0 HA2 GLY A 22 19.835 -21.552 -9.886 1.00 11.50 H new ATOM 0 HA3 GLY A 22 21.403 -20.770 -9.852 1.00 11.50 H new ATOM 334 N TYR A 23 20.113 -22.106 -12.597 1.00 71.14 N ATOM 335 CA TYR A 23 19.920 -21.886 -14.026 1.00 4.21 C ATOM 336 C TYR A 23 18.718 -22.671 -14.541 1.00 13.51 C ATOM 337 O TYR A 23 18.663 -23.895 -14.419 1.00 13.45 O ATOM 338 CB TYR A 23 21.177 -22.290 -14.799 1.00 75.24 C ATOM 339 CG TYR A 23 22.404 -21.493 -14.420 1.00 40.02 C ATOM 340 CD1 TYR A 23 23.242 -21.915 -13.395 1.00 54.02 C ATOM 341 CD2 TYR A 23 22.727 -20.318 -15.088 1.00 13.10 C ATOM 342 CE1 TYR A 23 24.364 -21.189 -13.045 1.00 74.21 C ATOM 343 CE2 TYR A 23 23.848 -19.586 -14.746 1.00 34.44 C ATOM 344 CZ TYR A 23 24.662 -20.026 -13.723 1.00 45.12 C ATOM 345 OH TYR A 23 25.780 -19.301 -13.378 1.00 41.24 O ATOM 0 H TYR A 23 19.784 -23.012 -12.262 1.00 71.14 H new ATOM 0 HA TYR A 23 19.731 -20.824 -14.182 1.00 4.21 H new ATOM 0 HB2 TYR A 23 21.374 -23.348 -14.627 1.00 75.24 H new ATOM 0 HB3 TYR A 23 20.991 -22.169 -15.866 1.00 75.24 H new ATOM 0 HD1 TYR A 23 23.012 -22.826 -12.863 1.00 54.02 H new ATOM 0 HD2 TYR A 23 22.091 -19.971 -15.889 1.00 13.10 H new ATOM 0 HE1 TYR A 23 25.004 -21.530 -12.245 1.00 74.21 H new ATOM 0 HE2 TYR A 23 24.085 -18.675 -15.276 1.00 34.44 H new ATOM 0 HH TYR A 23 25.847 -18.510 -13.953 1.00 41.24 H new ATOM 355 N ILE A 24 17.757 -21.957 -15.118 1.00 10.32 N ATOM 356 CA ILE A 24 16.556 -22.585 -15.653 1.00 72.24 C ATOM 357 C ILE A 24 16.575 -22.597 -17.178 1.00 52.02 C ATOM 358 O ILE A 24 17.416 -21.952 -17.804 1.00 11.42 O ATOM 359 CB ILE A 24 15.282 -21.866 -15.173 1.00 12.33 C ATOM 360 CG1 ILE A 24 15.358 -20.373 -15.502 1.00 35.41 C ATOM 361 CG2 ILE A 24 15.087 -22.075 -13.678 1.00 43.33 C ATOM 362 CD1 ILE A 24 14.233 -19.893 -16.392 1.00 72.12 C ATOM 0 H ILE A 24 17.787 -20.943 -15.227 1.00 10.32 H new ATOM 0 HA ILE A 24 16.545 -23.610 -15.283 1.00 72.24 H new ATOM 0 HB ILE A 24 14.424 -22.291 -15.695 1.00 12.33 H new ATOM 0 HG12 ILE A 24 15.344 -19.803 -14.573 1.00 35.41 H new ATOM 0 HG13 ILE A 24 16.310 -20.165 -15.989 1.00 35.41 H new ATOM 0 HG21 ILE A 24 14.182 -21.561 -13.354 1.00 43.33 H new ATOM 0 HG22 ILE A 24 14.993 -23.141 -13.469 1.00 43.33 H new ATOM 0 HG23 ILE A 24 15.945 -21.674 -13.139 1.00 43.33 H new ATOM 0 HD11 ILE A 24 14.351 -18.826 -16.584 1.00 72.12 H new ATOM 0 HD12 ILE A 24 14.259 -20.437 -17.336 1.00 72.12 H new ATOM 0 HD13 ILE A 24 13.278 -20.070 -15.898 1.00 72.12 H new ATOM 374 N SER A 25 15.641 -23.334 -17.771 1.00 33.05 N ATOM 375 CA SER A 25 15.551 -23.432 -19.223 1.00 11.33 C ATOM 376 C SER A 25 14.441 -22.533 -19.760 1.00 21.10 C ATOM 377 O SER A 25 13.675 -21.949 -18.994 1.00 44.43 O ATOM 378 CB SER A 25 15.298 -24.881 -19.643 1.00 14.22 C ATOM 379 OG SER A 25 16.515 -25.552 -19.919 1.00 53.25 O ATOM 0 H SER A 25 14.936 -23.872 -17.268 1.00 33.05 H new ATOM 0 HA SER A 25 16.500 -23.100 -19.645 1.00 11.33 H new ATOM 0 HB2 SER A 25 14.762 -25.404 -18.851 1.00 14.22 H new ATOM 0 HB3 SER A 25 14.660 -24.901 -20.526 1.00 14.22 H new ATOM 0 HG SER A 25 16.326 -26.477 -20.183 1.00 53.25 H new ATOM 385 N ALA A 26 14.361 -22.428 -21.082 1.00 65.45 N ATOM 386 CA ALA A 26 13.345 -21.603 -21.724 1.00 22.34 C ATOM 387 C ALA A 26 11.969 -21.858 -21.118 1.00 60.11 C ATOM 388 O ALA A 26 11.286 -20.927 -20.692 1.00 72.34 O ATOM 389 CB ALA A 26 13.321 -21.865 -23.222 1.00 42.12 C ATOM 0 H ALA A 26 14.988 -22.904 -21.730 1.00 65.45 H new ATOM 0 HA ALA A 26 13.600 -20.557 -21.554 1.00 22.34 H new ATOM 0 HB1 ALA A 26 12.558 -21.242 -23.688 1.00 42.12 H new ATOM 0 HB2 ALA A 26 14.295 -21.626 -23.649 1.00 42.12 H new ATOM 0 HB3 ALA A 26 13.093 -22.915 -23.404 1.00 42.12 H new ATOM 395 N ALA A 27 11.568 -23.125 -21.084 1.00 2.24 N ATOM 396 CA ALA A 27 10.274 -23.502 -20.529 1.00 51.41 C ATOM 397 C ALA A 27 10.045 -22.843 -19.173 1.00 52.41 C ATOM 398 O ALA A 27 9.106 -22.064 -19.001 1.00 65.31 O ATOM 399 CB ALA A 27 10.173 -25.015 -20.407 1.00 14.25 C ATOM 0 H ALA A 27 12.121 -23.907 -21.434 1.00 2.24 H new ATOM 0 HA ALA A 27 9.498 -23.151 -21.209 1.00 51.41 H new ATOM 0 HB1 ALA A 27 9.202 -25.282 -19.991 1.00 14.25 H new ATOM 0 HB2 ALA A 27 10.283 -25.468 -21.392 1.00 14.25 H new ATOM 0 HB3 ALA A 27 10.962 -25.381 -19.750 1.00 14.25 H new ATOM 405 N ASP A 28 10.907 -23.160 -18.213 1.00 52.34 N ATOM 406 CA ASP A 28 10.798 -22.598 -16.872 1.00 44.20 C ATOM 407 C ASP A 28 10.745 -21.074 -16.924 1.00 24.12 C ATOM 408 O ASP A 28 10.134 -20.434 -16.067 1.00 60.02 O ATOM 409 CB ASP A 28 11.978 -23.051 -16.010 1.00 15.55 C ATOM 410 CG ASP A 28 11.684 -24.332 -15.254 1.00 41.13 C ATOM 411 OD1 ASP A 28 10.787 -25.085 -15.688 1.00 50.25 O ATOM 412 OD2 ASP A 28 12.352 -24.582 -14.230 1.00 22.53 O ATOM 0 H ASP A 28 11.689 -23.803 -18.339 1.00 52.34 H new ATOM 0 HA ASP A 28 9.872 -22.960 -16.426 1.00 44.20 H new ATOM 0 HB2 ASP A 28 12.852 -23.199 -16.644 1.00 15.55 H new ATOM 0 HB3 ASP A 28 12.229 -22.263 -15.300 1.00 15.55 H new ATOM 417 N LEU A 29 11.390 -20.499 -17.933 1.00 3.13 N ATOM 418 CA LEU A 29 11.418 -19.050 -18.096 1.00 51.51 C ATOM 419 C LEU A 29 10.054 -18.525 -18.534 1.00 2.21 C ATOM 420 O LEU A 29 9.491 -17.630 -17.904 1.00 10.34 O ATOM 421 CB LEU A 29 12.483 -18.652 -19.120 1.00 74.10 C ATOM 422 CG LEU A 29 12.930 -17.190 -19.090 1.00 72.24 C ATOM 423 CD1 LEU A 29 13.756 -16.910 -17.845 1.00 13.24 C ATOM 424 CD2 LEU A 29 13.721 -16.849 -20.345 1.00 13.11 C ATOM 0 H LEU A 29 11.900 -21.014 -18.650 1.00 3.13 H new ATOM 0 HA LEU A 29 11.666 -18.606 -17.132 1.00 51.51 H new ATOM 0 HB2 LEU A 29 13.359 -19.282 -18.967 1.00 74.10 H new ATOM 0 HB3 LEU A 29 12.101 -18.874 -20.117 1.00 74.10 H new ATOM 0 HG LEU A 29 12.042 -16.559 -19.061 1.00 72.24 H new ATOM 0 HD11 LEU A 29 14.065 -15.865 -17.841 1.00 13.24 H new ATOM 0 HD12 LEU A 29 13.157 -17.115 -16.957 1.00 13.24 H new ATOM 0 HD13 LEU A 29 14.639 -17.549 -17.843 1.00 13.24 H new ATOM 0 HD21 LEU A 29 14.031 -15.805 -20.307 1.00 13.11 H new ATOM 0 HD22 LEU A 29 14.602 -17.488 -20.404 1.00 13.11 H new ATOM 0 HD23 LEU A 29 13.097 -17.010 -21.224 1.00 13.11 H new ATOM 436 N ARG A 30 9.528 -19.089 -19.616 1.00 22.51 N ATOM 437 CA ARG A 30 8.230 -18.679 -20.137 1.00 71.32 C ATOM 438 C ARG A 30 7.143 -18.840 -19.078 1.00 63.10 C ATOM 439 O ARG A 30 6.198 -18.053 -19.019 1.00 31.21 O ATOM 440 CB ARG A 30 7.873 -19.499 -21.378 1.00 73.33 C ATOM 441 CG ARG A 30 6.616 -19.018 -22.085 1.00 43.14 C ATOM 442 CD ARG A 30 5.748 -20.183 -22.533 1.00 34.13 C ATOM 443 NE ARG A 30 6.520 -21.203 -23.236 1.00 63.42 N ATOM 444 CZ ARG A 30 6.915 -21.086 -24.499 1.00 52.31 C ATOM 445 NH1 ARG A 30 6.611 -19.998 -25.193 1.00 41.24 N ATOM 446 NH2 ARG A 30 7.615 -22.058 -25.070 1.00 2.50 N ATOM 0 H ARG A 30 9.981 -19.831 -20.149 1.00 22.51 H new ATOM 0 HA ARG A 30 8.293 -17.626 -20.411 1.00 71.32 H new ATOM 0 HB2 ARG A 30 8.708 -19.466 -22.078 1.00 73.33 H new ATOM 0 HB3 ARG A 30 7.741 -20.541 -21.089 1.00 73.33 H new ATOM 0 HG2 ARG A 30 6.045 -18.374 -21.416 1.00 43.14 H new ATOM 0 HG3 ARG A 30 6.892 -18.415 -22.950 1.00 43.14 H new ATOM 0 HD2 ARG A 30 5.264 -20.629 -21.664 1.00 34.13 H new ATOM 0 HD3 ARG A 30 4.956 -19.815 -23.185 1.00 34.13 H new ATOM 0 HE ARG A 30 6.770 -22.052 -22.730 1.00 63.42 H new ATOM 0 HH11 ARG A 30 6.073 -19.249 -24.757 1.00 41.24 H new ATOM 0 HH12 ARG A 30 6.915 -19.910 -26.163 1.00 41.24 H new ATOM 0 HH21 ARG A 30 7.851 -22.897 -24.539 1.00 2.50 H new ATOM 0 HH22 ARG A 30 7.918 -21.967 -26.040 1.00 2.50 H new ATOM 460 N HIS A 31 7.285 -19.865 -18.243 1.00 74.15 N ATOM 461 CA HIS A 31 6.315 -20.129 -17.186 1.00 61.32 C ATOM 462 C HIS A 31 6.395 -19.064 -16.097 1.00 25.02 C ATOM 463 O HIS A 31 5.440 -18.322 -15.868 1.00 42.23 O ATOM 464 CB HIS A 31 6.553 -21.513 -16.581 1.00 62.11 C ATOM 465 CG HIS A 31 6.026 -22.634 -17.423 1.00 14.20 C ATOM 466 ND1 HIS A 31 4.687 -22.791 -17.714 1.00 12.31 N ATOM 467 CD2 HIS A 31 6.665 -23.655 -18.039 1.00 62.22 C ATOM 468 CE1 HIS A 31 4.526 -23.861 -18.471 1.00 74.11 C ATOM 469 NE2 HIS A 31 5.711 -24.404 -18.683 1.00 41.45 N ATOM 0 H HIS A 31 8.061 -20.525 -18.278 1.00 74.15 H new ATOM 0 HA HIS A 31 5.318 -20.099 -17.626 1.00 61.32 H new ATOM 0 HB2 HIS A 31 7.623 -21.655 -16.430 1.00 62.11 H new ATOM 0 HB3 HIS A 31 6.084 -21.556 -15.598 1.00 62.11 H new ATOM 0 HD2 HIS A 31 7.728 -23.846 -18.027 1.00 62.22 H new ATOM 0 HE1 HIS A 31 3.585 -24.229 -18.852 1.00 74.11 H new ATOM 0 HE2 HIS A 31 5.889 -25.243 -19.235 1.00 41.45 H new ATOM 477 N VAL A 32 7.541 -18.995 -15.427 1.00 4.04 N ATOM 478 CA VAL A 32 7.747 -18.021 -14.362 1.00 14.35 C ATOM 479 C VAL A 32 7.444 -16.607 -14.844 1.00 41.45 C ATOM 480 O VAL A 32 6.832 -15.814 -14.130 1.00 14.31 O ATOM 481 CB VAL A 32 9.190 -18.071 -13.826 1.00 13.44 C ATOM 482 CG1 VAL A 32 9.366 -17.091 -12.675 1.00 65.23 C ATOM 483 CG2 VAL A 32 9.548 -19.484 -13.393 1.00 23.31 C ATOM 0 H VAL A 32 8.341 -19.602 -15.603 1.00 4.04 H new ATOM 0 HA VAL A 32 7.060 -18.282 -13.557 1.00 14.35 H new ATOM 0 HB VAL A 32 9.868 -17.778 -14.628 1.00 13.44 H new ATOM 0 HG11 VAL A 32 10.392 -17.140 -12.309 1.00 65.23 H new ATOM 0 HG12 VAL A 32 9.153 -16.080 -13.022 1.00 65.23 H new ATOM 0 HG13 VAL A 32 8.680 -17.350 -11.868 1.00 65.23 H new ATOM 0 HG21 VAL A 32 10.571 -19.501 -13.017 1.00 23.31 H new ATOM 0 HG22 VAL A 32 8.867 -19.807 -12.606 1.00 23.31 H new ATOM 0 HG23 VAL A 32 9.463 -20.158 -14.245 1.00 23.31 H new ATOM 493 N MET A 33 7.877 -16.298 -16.062 1.00 44.23 N ATOM 494 CA MET A 33 7.651 -14.979 -16.642 1.00 2.11 C ATOM 495 C MET A 33 6.163 -14.735 -16.875 1.00 25.32 C ATOM 496 O MET A 33 5.591 -13.779 -16.352 1.00 53.40 O ATOM 497 CB MET A 33 8.415 -14.840 -17.960 1.00 42.30 C ATOM 498 CG MET A 33 9.909 -14.625 -17.777 1.00 12.10 C ATOM 499 SD MET A 33 10.449 -12.996 -18.331 1.00 64.40 S ATOM 500 CE MET A 33 11.808 -13.440 -19.411 1.00 54.11 C ATOM 0 H MET A 33 8.386 -16.943 -16.666 1.00 44.23 H new ATOM 0 HA MET A 33 8.018 -14.232 -15.938 1.00 2.11 H new ATOM 0 HB2 MET A 33 8.256 -15.737 -18.559 1.00 42.30 H new ATOM 0 HB3 MET A 33 8.002 -14.003 -18.523 1.00 42.30 H new ATOM 0 HG2 MET A 33 10.164 -14.750 -16.725 1.00 12.10 H new ATOM 0 HG3 MET A 33 10.453 -15.391 -18.330 1.00 12.10 H new ATOM 0 HE1 MET A 33 12.282 -12.535 -19.791 1.00 54.11 H new ATOM 0 HE2 MET A 33 12.539 -14.026 -18.854 1.00 54.11 H new ATOM 0 HE3 MET A 33 11.431 -14.030 -20.246 1.00 54.11 H new ATOM 510 N THR A 34 5.542 -15.607 -17.663 1.00 52.22 N ATOM 511 CA THR A 34 4.121 -15.485 -17.966 1.00 65.33 C ATOM 512 C THR A 34 3.284 -15.496 -16.692 1.00 65.13 C ATOM 513 O THR A 34 2.149 -15.023 -16.681 1.00 31.33 O ATOM 514 CB THR A 34 3.645 -16.622 -18.890 1.00 31.32 C ATOM 515 OG1 THR A 34 4.365 -16.583 -20.127 1.00 23.43 O ATOM 516 CG2 THR A 34 2.153 -16.509 -19.162 1.00 54.54 C ATOM 0 H THR A 34 6.000 -16.405 -18.103 1.00 52.22 H new ATOM 0 HA THR A 34 3.987 -14.531 -18.477 1.00 65.33 H new ATOM 0 HB THR A 34 3.836 -17.571 -18.389 1.00 31.32 H new ATOM 0 HG1 THR A 34 5.225 -17.040 -20.020 1.00 23.43 H new ATOM 0 HG21 THR A 34 1.840 -17.322 -19.817 1.00 54.54 H new ATOM 0 HG22 THR A 34 1.606 -16.569 -18.221 1.00 54.54 H new ATOM 0 HG23 THR A 34 1.942 -15.554 -19.644 1.00 54.54 H new ATOM 524 N ASN A 35 3.854 -16.038 -15.621 1.00 35.35 N ATOM 525 CA ASN A 35 3.159 -16.110 -14.340 1.00 72.23 C ATOM 526 C ASN A 35 3.368 -14.831 -13.535 1.00 63.41 C ATOM 527 O ASN A 35 2.437 -14.050 -13.337 1.00 10.14 O ATOM 528 CB ASN A 35 3.648 -17.317 -13.538 1.00 23.42 C ATOM 529 CG ASN A 35 2.785 -17.592 -12.322 1.00 11.03 C ATOM 530 OD1 ASN A 35 1.842 -16.854 -12.037 1.00 12.22 O ATOM 531 ND2 ASN A 35 3.105 -18.658 -11.598 1.00 32.32 N ATOM 0 H ASN A 35 4.794 -16.434 -15.614 1.00 35.35 H new ATOM 0 HA ASN A 35 2.093 -16.223 -14.539 1.00 72.23 H new ATOM 0 HB2 ASN A 35 3.656 -18.197 -14.181 1.00 23.42 H new ATOM 0 HB3 ASN A 35 4.676 -17.145 -13.219 1.00 23.42 H new ATOM 0 HD21 ASN A 35 2.561 -18.893 -10.768 1.00 32.32 H new ATOM 0 HD22 ASN A 35 3.895 -19.242 -11.872 1.00 32.32 H new ATOM 538 N LEU A 36 4.597 -14.624 -13.074 1.00 53.20 N ATOM 539 CA LEU A 36 4.930 -13.439 -12.291 1.00 32.14 C ATOM 540 C LEU A 36 4.527 -12.167 -13.029 1.00 15.21 C ATOM 541 O LEU A 36 5.213 -11.728 -13.951 1.00 14.01 O ATOM 542 CB LEU A 36 6.428 -13.411 -11.984 1.00 22.21 C ATOM 543 CG LEU A 36 6.846 -13.972 -10.624 1.00 35.01 C ATOM 544 CD1 LEU A 36 8.203 -14.650 -10.720 1.00 64.11 C ATOM 545 CD2 LEU A 36 6.872 -12.868 -9.577 1.00 14.00 C ATOM 0 H LEU A 36 5.379 -15.261 -13.229 1.00 53.20 H new ATOM 0 HA LEU A 36 4.374 -13.485 -11.355 1.00 32.14 H new ATOM 0 HB2 LEU A 36 6.948 -13.971 -12.761 1.00 22.21 H new ATOM 0 HB3 LEU A 36 6.773 -12.379 -12.050 1.00 22.21 H new ATOM 0 HG LEU A 36 6.112 -14.718 -10.319 1.00 35.01 H new ATOM 0 HD11 LEU A 36 8.483 -15.043 -9.743 1.00 64.11 H new ATOM 0 HD12 LEU A 36 8.151 -15.468 -11.439 1.00 64.11 H new ATOM 0 HD13 LEU A 36 8.949 -13.926 -11.048 1.00 64.11 H new ATOM 0 HD21 LEU A 36 7.171 -13.285 -8.616 1.00 14.00 H new ATOM 0 HD22 LEU A 36 7.584 -12.099 -9.877 1.00 14.00 H new ATOM 0 HD23 LEU A 36 5.879 -12.428 -9.488 1.00 14.00 H new ATOM 557 N GLY A 37 3.409 -11.577 -12.615 1.00 73.41 N ATOM 558 CA GLY A 37 2.934 -10.360 -13.247 1.00 4.04 C ATOM 559 C GLY A 37 1.489 -10.056 -12.907 1.00 11.21 C ATOM 560 O GLY A 37 0.973 -10.520 -11.891 1.00 20.21 O ATOM 0 H GLY A 37 2.824 -11.920 -11.853 1.00 73.41 H new ATOM 0 HA2 GLY A 37 3.561 -9.524 -12.936 1.00 4.04 H new ATOM 0 HA3 GLY A 37 3.038 -10.451 -14.328 1.00 4.04 H new ATOM 564 N GLU A 38 0.835 -9.272 -13.759 1.00 35.34 N ATOM 565 CA GLU A 38 -0.560 -8.905 -13.541 1.00 23.02 C ATOM 566 C GLU A 38 -1.377 -9.093 -14.816 1.00 33.25 C ATOM 567 O GLU A 38 -2.201 -10.004 -14.910 1.00 44.23 O ATOM 568 CB GLU A 38 -0.660 -7.454 -13.067 1.00 40.52 C ATOM 569 CG GLU A 38 -0.625 -7.303 -11.556 1.00 12.33 C ATOM 570 CD GLU A 38 -1.313 -6.038 -11.080 1.00 2.24 C ATOM 571 OE1 GLU A 38 -0.761 -4.941 -11.305 1.00 43.13 O ATOM 572 OE2 GLU A 38 -2.404 -6.146 -10.481 1.00 42.43 O ATOM 0 H GLU A 38 1.248 -8.879 -14.605 1.00 35.34 H new ATOM 0 HA GLU A 38 -0.966 -9.560 -12.770 1.00 23.02 H new ATOM 0 HB2 GLU A 38 0.161 -6.882 -13.500 1.00 40.52 H new ATOM 0 HB3 GLU A 38 -1.585 -7.020 -13.446 1.00 40.52 H new ATOM 0 HG2 GLU A 38 -1.104 -8.168 -11.097 1.00 12.33 H new ATOM 0 HG3 GLU A 38 0.412 -7.297 -11.219 1.00 12.33 H new ATOM 579 N LYS A 39 -1.145 -8.225 -15.794 1.00 63.01 N ATOM 580 CA LYS A 39 -1.858 -8.294 -17.064 1.00 44.11 C ATOM 581 C LYS A 39 -0.886 -8.219 -18.238 1.00 14.11 C ATOM 582 O LYS A 39 -0.384 -7.146 -18.574 1.00 11.51 O ATOM 583 CB LYS A 39 -2.880 -7.159 -17.161 1.00 23.00 C ATOM 584 CG LYS A 39 -4.294 -7.582 -16.802 1.00 3.33 C ATOM 585 CD LYS A 39 -4.673 -7.128 -15.402 1.00 24.21 C ATOM 586 CE LYS A 39 -6.171 -7.237 -15.167 1.00 55.14 C ATOM 587 NZ LYS A 39 -6.789 -5.908 -14.900 1.00 23.45 N ATOM 0 H LYS A 39 -0.468 -7.465 -15.732 1.00 63.01 H new ATOM 0 HA LYS A 39 -2.380 -9.250 -17.108 1.00 44.11 H new ATOM 0 HB2 LYS A 39 -2.574 -6.348 -16.500 1.00 23.00 H new ATOM 0 HB3 LYS A 39 -2.875 -6.762 -18.176 1.00 23.00 H new ATOM 0 HG2 LYS A 39 -4.995 -7.162 -17.524 1.00 3.33 H new ATOM 0 HG3 LYS A 39 -4.379 -8.667 -16.869 1.00 3.33 H new ATOM 0 HD2 LYS A 39 -4.143 -7.733 -14.666 1.00 24.21 H new ATOM 0 HD3 LYS A 39 -4.355 -6.096 -15.254 1.00 24.21 H new ATOM 0 HE2 LYS A 39 -6.644 -7.689 -16.039 1.00 55.14 H new ATOM 0 HE3 LYS A 39 -6.359 -7.901 -14.323 1.00 55.14 H new ATOM 0 HZ1 LYS A 39 -7.811 -6.025 -14.745 1.00 23.45 H new ATOM 0 HZ2 LYS A 39 -6.356 -5.488 -14.053 1.00 23.45 H new ATOM 0 HZ3 LYS A 39 -6.632 -5.282 -15.716 1.00 23.45 H new ATOM 601 N LEU A 40 -0.627 -9.364 -18.859 1.00 61.21 N ATOM 602 CA LEU A 40 0.283 -9.428 -19.997 1.00 64.13 C ATOM 603 C LEU A 40 -0.201 -10.445 -21.025 1.00 61.54 C ATOM 604 O LEU A 40 -1.061 -11.278 -20.735 1.00 11.52 O ATOM 605 CB LEU A 40 1.693 -9.792 -19.528 1.00 43.41 C ATOM 606 CG LEU A 40 2.403 -8.749 -18.664 1.00 12.41 C ATOM 607 CD1 LEU A 40 2.339 -9.139 -17.196 1.00 21.44 C ATOM 608 CD2 LEU A 40 3.848 -8.580 -19.111 1.00 13.45 C ATOM 0 H LEU A 40 -1.034 -10.261 -18.594 1.00 61.21 H new ATOM 0 HA LEU A 40 0.305 -8.445 -20.468 1.00 64.13 H new ATOM 0 HB2 LEU A 40 1.638 -10.724 -18.965 1.00 43.41 H new ATOM 0 HB3 LEU A 40 2.308 -9.986 -20.407 1.00 43.41 H new ATOM 0 HG LEU A 40 1.892 -7.794 -18.787 1.00 12.41 H new ATOM 0 HD11 LEU A 40 2.849 -8.385 -16.597 1.00 21.44 H new ATOM 0 HD12 LEU A 40 1.297 -9.207 -16.883 1.00 21.44 H new ATOM 0 HD13 LEU A 40 2.824 -10.105 -17.055 1.00 21.44 H new ATOM 0 HD21 LEU A 40 4.338 -7.834 -18.485 1.00 13.45 H new ATOM 0 HD22 LEU A 40 4.371 -9.532 -19.018 1.00 13.45 H new ATOM 0 HD23 LEU A 40 3.871 -8.253 -20.151 1.00 13.45 H new ATOM 620 N THR A 41 0.359 -10.375 -22.229 1.00 72.03 N ATOM 621 CA THR A 41 -0.015 -11.290 -23.300 1.00 43.14 C ATOM 622 C THR A 41 1.147 -12.204 -23.673 1.00 0.11 C ATOM 623 O THR A 41 2.308 -11.881 -23.423 1.00 44.30 O ATOM 624 CB THR A 41 -0.475 -10.526 -24.556 1.00 74.34 C ATOM 625 OG1 THR A 41 0.606 -9.748 -25.081 1.00 1.14 O ATOM 626 CG2 THR A 41 -1.652 -9.617 -24.236 1.00 33.43 C ATOM 0 H THR A 41 1.073 -9.694 -22.486 1.00 72.03 H new ATOM 0 HA THR A 41 -0.843 -11.893 -22.926 1.00 43.14 H new ATOM 0 HB THR A 41 -0.792 -11.256 -25.301 1.00 74.34 H new ATOM 0 HG1 THR A 41 0.305 -9.267 -25.880 1.00 1.14 H new ATOM 0 HG21 THR A 41 -1.959 -9.088 -25.138 1.00 33.43 H new ATOM 0 HG22 THR A 41 -2.484 -10.216 -23.866 1.00 33.43 H new ATOM 0 HG23 THR A 41 -1.357 -8.895 -23.475 1.00 33.43 H new ATOM 634 N ASP A 42 0.827 -13.346 -24.272 1.00 52.50 N ATOM 635 CA ASP A 42 1.845 -14.306 -24.681 1.00 30.21 C ATOM 636 C ASP A 42 2.880 -13.648 -25.588 1.00 21.01 C ATOM 637 O ASP A 42 4.050 -14.028 -25.587 1.00 4.01 O ATOM 638 CB ASP A 42 1.199 -15.491 -25.400 1.00 32.41 C ATOM 639 CG ASP A 42 1.599 -16.823 -24.796 1.00 65.13 C ATOM 640 OD1 ASP A 42 1.370 -17.018 -23.584 1.00 65.40 O ATOM 641 OD2 ASP A 42 2.141 -17.670 -25.536 1.00 62.42 O ATOM 0 H ASP A 42 -0.129 -13.629 -24.485 1.00 52.50 H new ATOM 0 HA ASP A 42 2.350 -14.666 -23.785 1.00 30.21 H new ATOM 0 HB2 ASP A 42 0.115 -15.389 -25.361 1.00 32.41 H new ATOM 0 HB3 ASP A 42 1.483 -15.473 -26.452 1.00 32.41 H new ATOM 646 N GLU A 43 2.439 -12.660 -26.361 1.00 65.40 N ATOM 647 CA GLU A 43 3.328 -11.951 -27.274 1.00 63.41 C ATOM 648 C GLU A 43 4.335 -11.102 -26.504 1.00 23.45 C ATOM 649 O GLU A 43 5.502 -11.009 -26.883 1.00 21.01 O ATOM 650 CB GLU A 43 2.519 -11.066 -28.224 1.00 1.21 C ATOM 651 CG GLU A 43 2.927 -11.204 -29.681 1.00 71.30 C ATOM 652 CD GLU A 43 2.149 -10.278 -30.595 1.00 51.12 C ATOM 653 OE1 GLU A 43 0.924 -10.476 -30.739 1.00 5.11 O ATOM 654 OE2 GLU A 43 2.765 -9.354 -31.167 1.00 24.31 O ATOM 0 H GLU A 43 1.473 -12.333 -26.373 1.00 65.40 H new ATOM 0 HA GLU A 43 3.875 -12.692 -27.857 1.00 63.41 H new ATOM 0 HB2 GLU A 43 1.462 -11.314 -28.126 1.00 1.21 H new ATOM 0 HB3 GLU A 43 2.631 -10.025 -27.921 1.00 1.21 H new ATOM 0 HG2 GLU A 43 3.992 -10.993 -29.778 1.00 71.30 H new ATOM 0 HG3 GLU A 43 2.776 -12.235 -30.001 1.00 71.30 H new ATOM 661 N GLU A 44 3.874 -10.485 -25.420 1.00 70.31 N ATOM 662 CA GLU A 44 4.734 -9.643 -24.597 1.00 50.02 C ATOM 663 C GLU A 44 5.800 -10.477 -23.893 1.00 62.43 C ATOM 664 O GLU A 44 6.907 -10.003 -23.638 1.00 21.15 O ATOM 665 CB GLU A 44 3.901 -8.882 -23.563 1.00 44.13 C ATOM 666 CG GLU A 44 4.650 -7.736 -22.903 1.00 71.04 C ATOM 667 CD GLU A 44 3.753 -6.551 -22.600 1.00 22.51 C ATOM 668 OE1 GLU A 44 2.895 -6.224 -23.446 1.00 21.02 O ATOM 669 OE2 GLU A 44 3.910 -5.952 -21.515 1.00 72.23 O ATOM 0 H GLU A 44 2.911 -10.553 -25.092 1.00 70.31 H new ATOM 0 HA GLU A 44 5.231 -8.927 -25.251 1.00 50.02 H new ATOM 0 HB2 GLU A 44 3.007 -8.490 -24.047 1.00 44.13 H new ATOM 0 HB3 GLU A 44 3.568 -9.578 -22.793 1.00 44.13 H new ATOM 0 HG2 GLU A 44 5.104 -8.089 -21.977 1.00 71.04 H new ATOM 0 HG3 GLU A 44 5.463 -7.415 -23.555 1.00 71.04 H new ATOM 676 N VAL A 45 5.458 -11.724 -23.582 1.00 10.41 N ATOM 677 CA VAL A 45 6.385 -12.625 -22.908 1.00 73.20 C ATOM 678 C VAL A 45 7.451 -13.136 -23.870 1.00 25.22 C ATOM 679 O VAL A 45 8.605 -13.332 -23.487 1.00 10.23 O ATOM 680 CB VAL A 45 5.648 -13.828 -22.290 1.00 32.22 C ATOM 681 CG1 VAL A 45 6.630 -14.751 -21.585 1.00 32.33 C ATOM 682 CG2 VAL A 45 4.566 -13.354 -21.331 1.00 21.32 C ATOM 0 H VAL A 45 4.546 -12.133 -23.786 1.00 10.41 H new ATOM 0 HA VAL A 45 6.862 -12.052 -22.112 1.00 73.20 H new ATOM 0 HB VAL A 45 5.170 -14.390 -23.092 1.00 32.22 H new ATOM 0 HG11 VAL A 45 6.091 -15.595 -21.155 1.00 32.33 H new ATOM 0 HG12 VAL A 45 7.364 -15.117 -22.302 1.00 32.33 H new ATOM 0 HG13 VAL A 45 7.139 -14.203 -20.792 1.00 32.33 H new ATOM 0 HG21 VAL A 45 4.055 -14.217 -20.903 1.00 21.32 H new ATOM 0 HG22 VAL A 45 5.020 -12.768 -20.532 1.00 21.32 H new ATOM 0 HG23 VAL A 45 3.847 -12.737 -21.870 1.00 21.32 H new ATOM 692 N ASP A 46 7.059 -13.350 -25.121 1.00 34.34 N ATOM 693 CA ASP A 46 7.982 -13.837 -26.139 1.00 74.42 C ATOM 694 C ASP A 46 9.182 -12.906 -26.274 1.00 65.33 C ATOM 695 O ASP A 46 10.322 -13.359 -26.379 1.00 73.35 O ATOM 696 CB ASP A 46 7.267 -13.967 -27.485 1.00 61.03 C ATOM 697 CG ASP A 46 7.026 -15.412 -27.876 1.00 42.11 C ATOM 698 OD1 ASP A 46 6.198 -16.075 -27.217 1.00 22.13 O ATOM 699 OD2 ASP A 46 7.665 -15.879 -28.842 1.00 31.22 O ATOM 0 H ASP A 46 6.108 -13.194 -25.454 1.00 34.34 H new ATOM 0 HA ASP A 46 8.340 -14.819 -25.830 1.00 74.42 H new ATOM 0 HB2 ASP A 46 6.313 -13.442 -27.438 1.00 61.03 H new ATOM 0 HB3 ASP A 46 7.861 -13.479 -28.257 1.00 61.03 H new ATOM 704 N GLU A 47 8.918 -11.603 -26.272 1.00 21.54 N ATOM 705 CA GLU A 47 9.978 -10.609 -26.396 1.00 33.51 C ATOM 706 C GLU A 47 10.791 -10.517 -25.108 1.00 31.11 C ATOM 707 O GLU A 47 11.958 -10.127 -25.125 1.00 51.10 O ATOM 708 CB GLU A 47 9.386 -9.240 -26.737 1.00 73.54 C ATOM 709 CG GLU A 47 9.214 -9.007 -28.229 1.00 11.41 C ATOM 710 CD GLU A 47 8.918 -7.557 -28.562 1.00 34.22 C ATOM 711 OE1 GLU A 47 7.728 -7.177 -28.545 1.00 42.40 O ATOM 712 OE2 GLU A 47 9.874 -6.804 -28.839 1.00 60.02 O ATOM 0 H GLU A 47 7.980 -11.211 -26.186 1.00 21.54 H new ATOM 0 HA GLU A 47 10.641 -10.921 -27.202 1.00 33.51 H new ATOM 0 HB2 GLU A 47 8.417 -9.140 -26.248 1.00 73.54 H new ATOM 0 HB3 GLU A 47 10.031 -8.462 -26.328 1.00 73.54 H new ATOM 0 HG2 GLU A 47 10.121 -9.318 -28.748 1.00 11.41 H new ATOM 0 HG3 GLU A 47 8.403 -9.634 -28.600 1.00 11.41 H new ATOM 719 N MET A 48 10.165 -10.879 -23.993 1.00 11.43 N ATOM 720 CA MET A 48 10.830 -10.837 -22.696 1.00 22.34 C ATOM 721 C MET A 48 11.946 -11.875 -22.623 1.00 73.25 C ATOM 722 O MET A 48 12.992 -11.634 -22.020 1.00 71.34 O ATOM 723 CB MET A 48 9.820 -11.078 -21.572 1.00 71.44 C ATOM 724 CG MET A 48 9.268 -9.798 -20.966 1.00 61.32 C ATOM 725 SD MET A 48 9.777 -9.566 -19.252 1.00 51.10 S ATOM 726 CE MET A 48 11.550 -9.775 -19.394 1.00 21.42 C ATOM 0 H MET A 48 9.199 -11.204 -23.962 1.00 11.43 H new ATOM 0 HA MET A 48 11.269 -9.847 -22.574 1.00 22.34 H new ATOM 0 HB2 MET A 48 8.993 -11.673 -21.959 1.00 71.44 H new ATOM 0 HB3 MET A 48 10.296 -11.666 -20.787 1.00 71.44 H new ATOM 0 HG2 MET A 48 9.602 -8.946 -21.559 1.00 61.32 H new ATOM 0 HG3 MET A 48 8.179 -9.816 -21.019 1.00 61.32 H new ATOM 0 HE1 MET A 48 11.878 -10.565 -18.719 1.00 21.42 H new ATOM 0 HE2 MET A 48 11.804 -10.045 -20.419 1.00 21.42 H new ATOM 0 HE3 MET A 48 12.049 -8.842 -19.131 1.00 21.42 H new ATOM 736 N ILE A 49 11.715 -13.029 -23.241 1.00 42.21 N ATOM 737 CA ILE A 49 12.701 -14.102 -23.247 1.00 24.12 C ATOM 738 C ILE A 49 13.894 -13.748 -24.128 1.00 42.04 C ATOM 739 O ILE A 49 15.005 -14.232 -23.911 1.00 1.21 O ATOM 740 CB ILE A 49 12.089 -15.427 -23.739 1.00 0.22 C ATOM 741 CG1 ILE A 49 10.894 -15.816 -22.867 1.00 32.44 C ATOM 742 CG2 ILE A 49 13.137 -16.529 -23.733 1.00 65.23 C ATOM 743 CD1 ILE A 49 10.086 -16.966 -23.427 1.00 21.00 C ATOM 0 H ILE A 49 10.854 -13.244 -23.744 1.00 42.21 H new ATOM 0 HA ILE A 49 13.037 -14.227 -22.218 1.00 24.12 H new ATOM 0 HB ILE A 49 11.739 -15.291 -24.762 1.00 0.22 H new ATOM 0 HG12 ILE A 49 11.252 -16.084 -21.873 1.00 32.44 H new ATOM 0 HG13 ILE A 49 10.244 -14.949 -22.749 1.00 32.44 H new ATOM 0 HG21 ILE A 49 12.689 -17.459 -24.083 1.00 65.23 H new ATOM 0 HG22 ILE A 49 13.960 -16.252 -24.392 1.00 65.23 H new ATOM 0 HG23 ILE A 49 13.514 -16.667 -22.720 1.00 65.23 H new ATOM 0 HD11 ILE A 49 9.255 -17.187 -22.757 1.00 21.00 H new ATOM 0 HD12 ILE A 49 9.698 -16.694 -24.409 1.00 21.00 H new ATOM 0 HD13 ILE A 49 10.722 -17.846 -23.519 1.00 21.00 H new ATOM 755 N ARG A 50 13.656 -12.899 -25.123 1.00 64.31 N ATOM 756 CA ARG A 50 14.711 -12.479 -26.038 1.00 23.33 C ATOM 757 C ARG A 50 15.802 -11.713 -25.295 1.00 30.53 C ATOM 758 O ARG A 50 16.991 -11.937 -25.517 1.00 44.11 O ATOM 759 CB ARG A 50 14.131 -11.608 -27.153 1.00 63.24 C ATOM 760 CG ARG A 50 13.551 -12.406 -28.310 1.00 13.14 C ATOM 761 CD ARG A 50 12.827 -11.506 -29.299 1.00 72.41 C ATOM 762 NE ARG A 50 13.753 -10.674 -30.061 1.00 44.24 N ATOM 763 CZ ARG A 50 14.487 -11.127 -31.072 1.00 4.43 C ATOM 764 NH1 ARG A 50 14.403 -12.398 -31.439 1.00 52.45 N ATOM 765 NH2 ARG A 50 15.308 -10.307 -31.717 1.00 31.33 N ATOM 0 H ARG A 50 12.742 -12.489 -25.316 1.00 64.31 H new ATOM 0 HA ARG A 50 15.154 -13.373 -26.477 1.00 23.33 H new ATOM 0 HB2 ARG A 50 13.352 -10.970 -26.736 1.00 63.24 H new ATOM 0 HB3 ARG A 50 14.913 -10.950 -27.532 1.00 63.24 H new ATOM 0 HG2 ARG A 50 14.351 -12.941 -28.821 1.00 13.14 H new ATOM 0 HG3 ARG A 50 12.860 -13.156 -27.926 1.00 13.14 H new ATOM 0 HD2 ARG A 50 12.241 -12.118 -29.985 1.00 72.41 H new ATOM 0 HD3 ARG A 50 12.125 -10.868 -28.762 1.00 72.41 H new ATOM 0 HE ARG A 50 13.842 -9.691 -29.803 1.00 44.24 H new ATOM 0 HH11 ARG A 50 13.774 -13.031 -30.945 1.00 52.45 H new ATOM 0 HH12 ARG A 50 14.967 -12.743 -32.215 1.00 52.45 H new ATOM 0 HH21 ARG A 50 15.376 -9.329 -31.437 1.00 31.33 H new ATOM 0 HH22 ARG A 50 15.871 -10.655 -32.493 1.00 31.33 H new ATOM 779 N GLU A 51 15.387 -10.810 -24.412 1.00 42.33 N ATOM 780 CA GLU A 51 16.329 -10.010 -23.638 1.00 65.42 C ATOM 781 C GLU A 51 16.939 -10.833 -22.506 1.00 50.42 C ATOM 782 O GLU A 51 18.157 -10.985 -22.422 1.00 21.00 O ATOM 783 CB GLU A 51 15.634 -8.773 -23.067 1.00 50.11 C ATOM 784 CG GLU A 51 15.830 -7.522 -23.908 1.00 33.43 C ATOM 785 CD GLU A 51 17.292 -7.170 -24.098 1.00 23.04 C ATOM 786 OE1 GLU A 51 18.123 -7.632 -23.287 1.00 41.33 O ATOM 787 OE2 GLU A 51 17.606 -6.433 -25.055 1.00 61.14 O ATOM 0 H GLU A 51 14.406 -10.614 -24.215 1.00 42.33 H new ATOM 0 HA GLU A 51 17.130 -9.691 -24.305 1.00 65.42 H new ATOM 0 HB2 GLU A 51 14.567 -8.976 -22.976 1.00 50.11 H new ATOM 0 HB3 GLU A 51 16.010 -8.587 -22.061 1.00 50.11 H new ATOM 0 HG2 GLU A 51 15.366 -7.668 -24.883 1.00 33.43 H new ATOM 0 HG3 GLU A 51 15.318 -6.685 -23.433 1.00 33.43 H new ATOM 794 N ALA A 52 16.082 -11.360 -21.638 1.00 10.52 N ATOM 795 CA ALA A 52 16.535 -12.167 -20.512 1.00 33.10 C ATOM 796 C ALA A 52 17.466 -13.282 -20.976 1.00 21.05 C ATOM 797 O ALA A 52 18.353 -13.710 -20.237 1.00 30.22 O ATOM 798 CB ALA A 52 15.343 -12.748 -19.766 1.00 73.32 C ATOM 0 H ALA A 52 15.070 -11.243 -21.693 1.00 10.52 H new ATOM 0 HA ALA A 52 17.094 -11.521 -19.835 1.00 33.10 H new ATOM 0 HB1 ALA A 52 15.696 -13.348 -18.928 1.00 73.32 H new ATOM 0 HB2 ALA A 52 14.717 -11.937 -19.394 1.00 73.32 H new ATOM 0 HB3 ALA A 52 14.761 -13.375 -20.442 1.00 73.32 H new ATOM 804 N ASP A 53 17.258 -13.748 -22.202 1.00 23.31 N ATOM 805 CA ASP A 53 18.080 -14.814 -22.764 1.00 50.11 C ATOM 806 C ASP A 53 18.896 -14.304 -23.948 1.00 3.35 C ATOM 807 O ASP A 53 18.373 -14.139 -25.050 1.00 0.41 O ATOM 808 CB ASP A 53 17.202 -15.987 -23.202 1.00 53.03 C ATOM 809 CG ASP A 53 17.972 -17.291 -23.275 1.00 54.02 C ATOM 810 OD1 ASP A 53 19.091 -17.289 -23.829 1.00 61.31 O ATOM 811 OD2 ASP A 53 17.455 -18.313 -22.778 1.00 0.05 O ATOM 0 H ASP A 53 16.528 -13.405 -22.826 1.00 23.31 H new ATOM 0 HA ASP A 53 18.769 -15.154 -21.991 1.00 50.11 H new ATOM 0 HB2 ASP A 53 16.373 -16.097 -22.503 1.00 53.03 H new ATOM 0 HB3 ASP A 53 16.770 -15.769 -24.178 1.00 53.03 H new ATOM 816 N ILE A 54 20.180 -14.055 -23.711 1.00 31.02 N ATOM 817 CA ILE A 54 21.068 -13.564 -24.757 1.00 51.41 C ATOM 818 C ILE A 54 22.478 -14.118 -24.587 1.00 21.33 C ATOM 819 O ILE A 54 23.461 -13.384 -24.687 1.00 63.23 O ATOM 820 CB ILE A 54 21.131 -12.025 -24.765 1.00 41.21 C ATOM 821 CG1 ILE A 54 21.386 -11.496 -23.352 1.00 53.22 C ATOM 822 CG2 ILE A 54 19.843 -11.445 -25.330 1.00 11.23 C ATOM 823 CD1 ILE A 54 22.318 -10.305 -23.312 1.00 32.13 C ATOM 0 H ILE A 54 20.628 -14.185 -22.804 1.00 31.02 H new ATOM 0 HA ILE A 54 20.657 -13.908 -25.706 1.00 51.41 H new ATOM 0 HB ILE A 54 21.957 -11.713 -25.404 1.00 41.21 H new ATOM 0 HG12 ILE A 54 20.434 -11.218 -22.900 1.00 53.22 H new ATOM 0 HG13 ILE A 54 21.806 -12.297 -22.743 1.00 53.22 H new ATOM 0 HG21 ILE A 54 19.903 -10.357 -25.329 1.00 11.23 H new ATOM 0 HG22 ILE A 54 19.701 -11.800 -26.351 1.00 11.23 H new ATOM 0 HG23 ILE A 54 19.001 -11.763 -24.715 1.00 11.23 H new ATOM 0 HD11 ILE A 54 22.453 -9.983 -22.279 1.00 32.13 H new ATOM 0 HD12 ILE A 54 23.283 -10.584 -23.735 1.00 32.13 H new ATOM 0 HD13 ILE A 54 21.890 -9.488 -23.893 1.00 32.13 H new ATOM 835 N ASP A 55 22.569 -15.418 -24.330 1.00 23.41 N ATOM 836 CA ASP A 55 23.860 -16.073 -24.148 1.00 74.34 C ATOM 837 C ASP A 55 24.299 -16.773 -25.431 1.00 3.41 C ATOM 838 O ASP A 55 25.485 -16.803 -25.759 1.00 13.53 O ATOM 839 CB ASP A 55 23.786 -17.083 -23.002 1.00 5.43 C ATOM 840 CG ASP A 55 23.177 -16.490 -21.747 1.00 12.24 C ATOM 841 OD1 ASP A 55 21.934 -16.510 -21.625 1.00 3.14 O ATOM 842 OD2 ASP A 55 23.942 -16.005 -20.887 1.00 21.03 O ATOM 0 H ASP A 55 21.765 -16.039 -24.243 1.00 23.41 H new ATOM 0 HA ASP A 55 24.597 -15.308 -23.901 1.00 74.34 H new ATOM 0 HB2 ASP A 55 23.196 -17.943 -23.317 1.00 5.43 H new ATOM 0 HB3 ASP A 55 24.788 -17.449 -22.778 1.00 5.43 H new ATOM 847 N GLY A 56 23.335 -17.336 -26.153 1.00 12.34 N ATOM 848 CA GLY A 56 23.643 -18.028 -27.390 1.00 74.42 C ATOM 849 C GLY A 56 23.612 -19.536 -27.234 1.00 5.22 C ATOM 850 O GLY A 56 24.317 -20.254 -27.943 1.00 72.42 O ATOM 0 H GLY A 56 22.346 -17.325 -25.903 1.00 12.34 H new ATOM 0 HA2 GLY A 56 22.928 -17.730 -28.157 1.00 74.42 H new ATOM 0 HA3 GLY A 56 24.630 -17.722 -27.738 1.00 74.42 H new ATOM 854 N ASP A 57 22.797 -20.016 -26.302 1.00 55.00 N ATOM 855 CA ASP A 57 22.678 -21.448 -26.054 1.00 32.10 C ATOM 856 C ASP A 57 21.240 -21.822 -25.707 1.00 22.21 C ATOM 857 O ASP A 57 20.720 -22.833 -26.177 1.00 62.14 O ATOM 858 CB ASP A 57 23.615 -21.871 -24.922 1.00 4.21 C ATOM 859 CG ASP A 57 23.701 -20.831 -23.822 1.00 51.43 C ATOM 860 OD1 ASP A 57 22.824 -20.834 -22.934 1.00 11.15 O ATOM 861 OD2 ASP A 57 24.644 -20.013 -23.851 1.00 4.41 O ATOM 0 H ASP A 57 22.209 -19.434 -25.705 1.00 55.00 H new ATOM 0 HA ASP A 57 22.962 -21.974 -26.966 1.00 32.10 H new ATOM 0 HB2 ASP A 57 23.268 -22.814 -24.500 1.00 4.21 H new ATOM 0 HB3 ASP A 57 24.611 -22.051 -25.327 1.00 4.21 H new ATOM 866 N GLY A 58 20.603 -21.000 -24.879 1.00 2.40 N ATOM 867 CA GLY A 58 19.232 -21.262 -24.482 1.00 2.21 C ATOM 868 C GLY A 58 19.083 -21.418 -22.982 1.00 12.34 C ATOM 869 O GLY A 58 18.222 -22.161 -22.512 1.00 13.23 O ATOM 0 H GLY A 58 21.012 -20.157 -24.476 1.00 2.40 H new ATOM 0 HA2 GLY A 58 18.596 -20.446 -24.824 1.00 2.21 H new ATOM 0 HA3 GLY A 58 18.881 -22.168 -24.975 1.00 2.21 H new ATOM 873 N GLN A 59 19.924 -20.717 -22.229 1.00 4.33 N ATOM 874 CA GLN A 59 19.883 -20.783 -20.773 1.00 31.33 C ATOM 875 C GLN A 59 19.867 -19.385 -20.164 1.00 32.00 C ATOM 876 O GLN A 59 20.557 -18.482 -20.638 1.00 21.43 O ATOM 877 CB GLN A 59 21.083 -21.569 -20.243 1.00 24.34 C ATOM 878 CG GLN A 59 20.734 -22.975 -19.780 1.00 43.25 C ATOM 879 CD GLN A 59 21.662 -24.026 -20.357 1.00 22.02 C ATOM 880 OE1 GLN A 59 21.468 -24.494 -21.479 1.00 41.22 O ATOM 881 NE2 GLN A 59 22.678 -24.404 -19.590 1.00 44.40 N ATOM 0 H GLN A 59 20.642 -20.097 -22.603 1.00 4.33 H new ATOM 0 HA GLN A 59 18.965 -21.295 -20.484 1.00 31.33 H new ATOM 0 HB2 GLN A 59 21.840 -21.630 -21.025 1.00 24.34 H new ATOM 0 HB3 GLN A 59 21.527 -21.021 -19.412 1.00 24.34 H new ATOM 0 HG2 GLN A 59 20.777 -23.016 -18.692 1.00 43.25 H new ATOM 0 HG3 GLN A 59 19.708 -23.204 -20.068 1.00 43.25 H new ATOM 0 HE21 GLN A 59 22.801 -23.990 -18.666 1.00 44.40 H new ATOM 0 HE22 GLN A 59 23.335 -25.109 -19.925 1.00 44.40 H new ATOM 890 N VAL A 60 19.074 -19.212 -19.111 1.00 72.32 N ATOM 891 CA VAL A 60 18.968 -17.924 -18.437 1.00 1.11 C ATOM 892 C VAL A 60 19.734 -17.929 -17.119 1.00 30.03 C ATOM 893 O VAL A 60 19.547 -18.813 -16.284 1.00 13.00 O ATOM 894 CB VAL A 60 17.499 -17.553 -18.163 1.00 14.23 C ATOM 895 CG1 VAL A 60 17.402 -16.154 -17.572 1.00 60.50 C ATOM 896 CG2 VAL A 60 16.676 -17.660 -19.438 1.00 13.13 C ATOM 0 H VAL A 60 18.496 -19.948 -18.706 1.00 72.32 H new ATOM 0 HA VAL A 60 19.404 -17.181 -19.104 1.00 1.11 H new ATOM 0 HB VAL A 60 17.094 -18.257 -17.436 1.00 14.23 H new ATOM 0 HG11 VAL A 60 16.356 -15.910 -17.385 1.00 60.50 H new ATOM 0 HG12 VAL A 60 17.957 -16.116 -16.634 1.00 60.50 H new ATOM 0 HG13 VAL A 60 17.824 -15.433 -18.272 1.00 60.50 H new ATOM 0 HG21 VAL A 60 15.640 -17.394 -19.226 1.00 13.13 H new ATOM 0 HG22 VAL A 60 17.079 -16.980 -20.189 1.00 13.13 H new ATOM 0 HG23 VAL A 60 16.719 -18.682 -19.814 1.00 13.13 H new ATOM 906 N ASN A 61 20.597 -16.935 -16.939 1.00 5.14 N ATOM 907 CA ASN A 61 21.393 -16.825 -15.721 1.00 53.50 C ATOM 908 C ASN A 61 20.550 -16.289 -14.568 1.00 1.44 C ATOM 909 O ASN A 61 19.832 -15.299 -14.717 1.00 24.34 O ATOM 910 CB ASN A 61 22.597 -15.911 -15.955 1.00 3.41 C ATOM 911 CG ASN A 61 23.197 -15.401 -14.658 1.00 53.15 C ATOM 912 OD1 ASN A 61 23.426 -14.202 -14.497 1.00 24.32 O ATOM 913 ND2 ASN A 61 23.453 -16.312 -13.727 1.00 64.11 N ATOM 0 H ASN A 61 20.763 -16.194 -17.620 1.00 5.14 H new ATOM 0 HA ASN A 61 21.748 -17.821 -15.457 1.00 53.50 H new ATOM 0 HB2 ASN A 61 23.358 -16.454 -16.516 1.00 3.41 H new ATOM 0 HB3 ASN A 61 22.292 -15.064 -16.569 1.00 3.41 H new ATOM 0 HD21 ASN A 61 23.856 -16.029 -12.834 1.00 64.11 H new ATOM 0 HD22 ASN A 61 23.247 -17.295 -13.905 1.00 64.11 H new ATOM 920 N TYR A 62 20.643 -16.948 -13.418 1.00 70.13 N ATOM 921 CA TYR A 62 19.888 -16.540 -12.240 1.00 2.34 C ATOM 922 C TYR A 62 20.167 -15.080 -11.893 1.00 20.42 C ATOM 923 O TYR A 62 19.257 -14.330 -11.543 1.00 32.04 O ATOM 924 CB TYR A 62 20.238 -17.434 -11.049 1.00 72.20 C ATOM 925 CG TYR A 62 19.718 -16.914 -9.728 1.00 21.22 C ATOM 926 CD1 TYR A 62 18.364 -16.969 -9.421 1.00 41.22 C ATOM 927 CD2 TYR A 62 20.582 -16.369 -8.785 1.00 73.15 C ATOM 928 CE1 TYR A 62 17.885 -16.494 -8.216 1.00 21.24 C ATOM 929 CE2 TYR A 62 20.112 -15.893 -7.577 1.00 34.44 C ATOM 930 CZ TYR A 62 18.763 -15.958 -7.297 1.00 14.34 C ATOM 931 OH TYR A 62 18.289 -15.485 -6.094 1.00 25.11 O ATOM 0 H TYR A 62 21.234 -17.767 -13.277 1.00 70.13 H new ATOM 0 HA TYR A 62 18.827 -16.645 -12.466 1.00 2.34 H new ATOM 0 HB2 TYR A 62 19.833 -18.431 -11.222 1.00 72.20 H new ATOM 0 HB3 TYR A 62 21.321 -17.536 -10.988 1.00 72.20 H new ATOM 0 HD1 TYR A 62 17.674 -17.391 -10.137 1.00 41.22 H new ATOM 0 HD2 TYR A 62 21.639 -16.317 -9.001 1.00 73.15 H new ATOM 0 HE1 TYR A 62 16.829 -16.542 -7.994 1.00 21.24 H new ATOM 0 HE2 TYR A 62 20.797 -15.472 -6.856 1.00 34.44 H new ATOM 0 HH TYR A 62 17.374 -15.155 -6.210 1.00 25.11 H new ATOM 941 N GLU A 63 21.433 -14.686 -11.994 1.00 34.21 N ATOM 942 CA GLU A 63 21.832 -13.317 -11.691 1.00 1.01 C ATOM 943 C GLU A 63 21.205 -12.336 -12.677 1.00 74.24 C ATOM 944 O GLU A 63 21.181 -11.129 -12.439 1.00 3.33 O ATOM 945 CB GLU A 63 23.356 -13.187 -11.726 1.00 23.33 C ATOM 946 CG GLU A 63 23.964 -12.795 -10.390 1.00 24.13 C ATOM 947 CD GLU A 63 25.429 -13.174 -10.281 1.00 73.14 C ATOM 948 OE1 GLU A 63 26.246 -12.607 -11.036 1.00 23.12 O ATOM 949 OE2 GLU A 63 25.757 -14.038 -9.441 1.00 74.23 O ATOM 0 H GLU A 63 22.199 -15.295 -12.283 1.00 34.21 H new ATOM 0 HA GLU A 63 21.476 -13.076 -10.689 1.00 1.01 H new ATOM 0 HB2 GLU A 63 23.786 -14.136 -12.047 1.00 23.33 H new ATOM 0 HB3 GLU A 63 23.632 -12.443 -12.473 1.00 23.33 H new ATOM 0 HG2 GLU A 63 23.860 -11.719 -10.249 1.00 24.13 H new ATOM 0 HG3 GLU A 63 23.407 -13.277 -9.586 1.00 24.13 H new ATOM 956 N ASP A 64 20.698 -12.864 -13.786 1.00 33.41 N ATOM 957 CA ASP A 64 20.069 -12.037 -14.809 1.00 43.21 C ATOM 958 C ASP A 64 18.612 -11.752 -14.458 1.00 43.23 C ATOM 959 O ASP A 64 18.169 -10.603 -14.487 1.00 61.52 O ATOM 960 CB ASP A 64 20.153 -12.723 -16.173 1.00 65.42 C ATOM 961 CG ASP A 64 20.043 -11.742 -17.323 1.00 43.32 C ATOM 962 OD1 ASP A 64 19.133 -10.888 -17.289 1.00 1.35 O ATOM 963 OD2 ASP A 64 20.867 -11.828 -18.258 1.00 53.04 O ATOM 0 H ASP A 64 20.710 -13.861 -13.999 1.00 33.41 H new ATOM 0 HA ASP A 64 20.605 -11.089 -14.854 1.00 43.21 H new ATOM 0 HB2 ASP A 64 21.098 -13.261 -16.248 1.00 65.42 H new ATOM 0 HB3 ASP A 64 19.357 -13.463 -16.254 1.00 65.42 H new ATOM 968 N PHE A 65 17.872 -12.805 -14.128 1.00 53.40 N ATOM 969 CA PHE A 65 16.464 -12.668 -13.774 1.00 12.04 C ATOM 970 C PHE A 65 16.301 -11.850 -12.496 1.00 25.13 C ATOM 971 O PHE A 65 15.395 -11.024 -12.385 1.00 24.03 O ATOM 972 CB PHE A 65 15.825 -14.047 -13.595 1.00 11.33 C ATOM 973 CG PHE A 65 14.366 -14.083 -13.952 1.00 4.53 C ATOM 974 CD1 PHE A 65 13.965 -14.144 -15.277 1.00 3.44 C ATOM 975 CD2 PHE A 65 13.397 -14.056 -12.963 1.00 15.43 C ATOM 976 CE1 PHE A 65 12.624 -14.176 -15.608 1.00 11.22 C ATOM 977 CE2 PHE A 65 12.053 -14.088 -13.288 1.00 25.02 C ATOM 978 CZ PHE A 65 11.667 -14.149 -14.612 1.00 72.22 C ATOM 0 H PHE A 65 18.223 -13.762 -14.098 1.00 53.40 H new ATOM 0 HA PHE A 65 15.960 -12.144 -14.586 1.00 12.04 H new ATOM 0 HB2 PHE A 65 16.360 -14.769 -14.212 1.00 11.33 H new ATOM 0 HB3 PHE A 65 15.945 -14.362 -12.559 1.00 11.33 H new ATOM 0 HD1 PHE A 65 14.709 -14.167 -16.060 1.00 3.44 H new ATOM 0 HD2 PHE A 65 13.694 -14.009 -11.926 1.00 15.43 H new ATOM 0 HE1 PHE A 65 12.324 -14.222 -16.645 1.00 11.22 H new ATOM 0 HE2 PHE A 65 11.307 -14.065 -12.507 1.00 25.02 H new ATOM 0 HZ PHE A 65 10.618 -14.176 -14.869 1.00 72.22 H new ATOM 988 N VAL A 66 17.186 -12.087 -11.532 1.00 43.23 N ATOM 989 CA VAL A 66 17.143 -11.373 -10.262 1.00 14.41 C ATOM 990 C VAL A 66 17.371 -9.879 -10.463 1.00 43.21 C ATOM 991 O VAL A 66 16.849 -9.055 -9.712 1.00 65.14 O ATOM 992 CB VAL A 66 18.196 -11.914 -9.277 1.00 60.03 C ATOM 993 CG1 VAL A 66 18.028 -13.414 -9.086 1.00 52.33 C ATOM 994 CG2 VAL A 66 19.599 -11.584 -9.764 1.00 60.42 C ATOM 0 H VAL A 66 17.941 -12.768 -11.607 1.00 43.23 H new ATOM 0 HA VAL A 66 16.149 -11.533 -9.843 1.00 14.41 H new ATOM 0 HB VAL A 66 18.048 -11.430 -8.311 1.00 60.03 H new ATOM 0 HG11 VAL A 66 18.781 -13.778 -8.387 1.00 52.33 H new ATOM 0 HG12 VAL A 66 17.034 -13.621 -8.690 1.00 52.33 H new ATOM 0 HG13 VAL A 66 18.149 -13.919 -10.045 1.00 52.33 H new ATOM 0 HG21 VAL A 66 20.331 -11.973 -9.056 1.00 60.42 H new ATOM 0 HG22 VAL A 66 19.761 -12.039 -10.741 1.00 60.42 H new ATOM 0 HG23 VAL A 66 19.711 -10.503 -9.844 1.00 60.42 H new ATOM 1004 N GLN A 67 18.154 -9.537 -11.481 1.00 61.55 N ATOM 1005 CA GLN A 67 18.452 -8.142 -11.781 1.00 51.11 C ATOM 1006 C GLN A 67 17.181 -7.380 -12.143 1.00 3.33 C ATOM 1007 O GLN A 67 16.967 -6.258 -11.684 1.00 22.12 O ATOM 1008 CB GLN A 67 19.461 -8.048 -12.927 1.00 74.33 C ATOM 1009 CG GLN A 67 20.284 -6.771 -12.910 1.00 43.20 C ATOM 1010 CD GLN A 67 19.670 -5.669 -13.750 1.00 54.31 C ATOM 1011 OE1 GLN A 67 19.095 -4.716 -13.221 1.00 65.34 O ATOM 1012 NE2 GLN A 67 19.787 -5.792 -15.067 1.00 21.20 N ATOM 0 H GLN A 67 18.593 -10.207 -12.112 1.00 61.55 H new ATOM 0 HA GLN A 67 18.884 -7.689 -10.889 1.00 51.11 H new ATOM 0 HB2 GLN A 67 20.134 -8.904 -12.879 1.00 74.33 H new ATOM 0 HB3 GLN A 67 18.928 -8.114 -13.876 1.00 74.33 H new ATOM 0 HG2 GLN A 67 20.388 -6.424 -11.882 1.00 43.20 H new ATOM 0 HG3 GLN A 67 21.288 -6.985 -13.277 1.00 43.20 H new ATOM 0 HE21 GLN A 67 20.271 -6.598 -15.463 1.00 21.20 H new ATOM 0 HE22 GLN A 67 19.393 -5.081 -15.683 1.00 21.20 H new ATOM 1021 N MET A 68 16.342 -7.996 -12.968 1.00 61.23 N ATOM 1022 CA MET A 68 15.092 -7.375 -13.391 1.00 31.43 C ATOM 1023 C MET A 68 14.264 -6.944 -12.184 1.00 63.21 C ATOM 1024 O MET A 68 13.608 -5.903 -12.210 1.00 23.30 O ATOM 1025 CB MET A 68 14.285 -8.343 -14.258 1.00 74.01 C ATOM 1026 CG MET A 68 13.702 -7.699 -15.506 1.00 22.30 C ATOM 1027 SD MET A 68 14.923 -7.499 -16.818 1.00 55.21 S ATOM 1028 CE MET A 68 14.172 -6.188 -17.781 1.00 2.12 C ATOM 0 H MET A 68 16.504 -8.925 -13.357 1.00 61.23 H new ATOM 0 HA MET A 68 15.335 -6.489 -13.978 1.00 31.43 H new ATOM 0 HB2 MET A 68 14.926 -9.174 -14.553 1.00 74.01 H new ATOM 0 HB3 MET A 68 13.474 -8.762 -13.662 1.00 74.01 H new ATOM 0 HG2 MET A 68 12.876 -8.309 -15.873 1.00 22.30 H new ATOM 0 HG3 MET A 68 13.288 -6.724 -15.248 1.00 22.30 H new ATOM 0 HE1 MET A 68 14.810 -5.950 -18.632 1.00 2.12 H new ATOM 0 HE2 MET A 68 13.196 -6.514 -18.140 1.00 2.12 H new ATOM 0 HE3 MET A 68 14.052 -5.302 -17.158 1.00 2.12 H new ATOM 1038 N MET A 69 14.300 -7.751 -11.129 1.00 33.31 N ATOM 1039 CA MET A 69 13.553 -7.452 -9.913 1.00 1.44 C ATOM 1040 C MET A 69 14.273 -6.397 -9.078 1.00 64.14 C ATOM 1041 O MET A 69 13.645 -5.641 -8.337 1.00 20.04 O ATOM 1042 CB MET A 69 13.352 -8.723 -9.086 1.00 1.04 C ATOM 1043 CG MET A 69 11.894 -9.025 -8.780 1.00 60.00 C ATOM 1044 SD MET A 69 11.010 -9.693 -10.203 1.00 1.33 S ATOM 1045 CE MET A 69 9.594 -8.598 -10.265 1.00 75.43 C ATOM 0 H MET A 69 14.838 -8.617 -11.092 1.00 33.31 H new ATOM 0 HA MET A 69 12.579 -7.058 -10.203 1.00 1.44 H new ATOM 0 HB2 MET A 69 13.785 -9.568 -9.622 1.00 1.04 H new ATOM 0 HB3 MET A 69 13.899 -8.627 -8.148 1.00 1.04 H new ATOM 0 HG2 MET A 69 11.839 -9.737 -7.956 1.00 60.00 H new ATOM 0 HG3 MET A 69 11.400 -8.112 -8.446 1.00 60.00 H new ATOM 0 HE1 MET A 69 8.949 -8.884 -11.096 1.00 75.43 H new ATOM 0 HE2 MET A 69 9.036 -8.671 -9.331 1.00 75.43 H new ATOM 0 HE3 MET A 69 9.934 -7.572 -10.405 1.00 75.43 H new ATOM 1055 N THR A 70 15.596 -6.351 -9.204 1.00 61.40 N ATOM 1056 CA THR A 70 16.402 -5.391 -8.461 1.00 13.21 C ATOM 1057 C THR A 70 16.038 -3.959 -8.839 1.00 23.42 C ATOM 1058 O THR A 70 16.170 -3.041 -8.030 1.00 60.40 O ATOM 1059 CB THR A 70 17.906 -5.609 -8.708 1.00 44.24 C ATOM 1060 OG1 THR A 70 18.238 -6.989 -8.523 1.00 63.31 O ATOM 1061 CG2 THR A 70 18.739 -4.751 -7.768 1.00 23.11 C ATOM 0 H THR A 70 16.132 -6.968 -9.814 1.00 61.40 H new ATOM 0 HA THR A 70 16.189 -5.550 -7.404 1.00 13.21 H new ATOM 0 HB THR A 70 18.129 -5.317 -9.734 1.00 44.24 H new ATOM 0 HG1 THR A 70 17.724 -7.536 -9.153 1.00 63.31 H new ATOM 0 HG21 THR A 70 19.798 -4.922 -7.961 1.00 23.11 H new ATOM 0 HG22 THR A 70 18.506 -3.699 -7.932 1.00 23.11 H new ATOM 0 HG23 THR A 70 18.511 -5.016 -6.736 1.00 23.11 H new ATOM 1069 N ALA A 71 15.580 -3.776 -10.073 1.00 33.43 N ATOM 1070 CA ALA A 71 15.195 -2.457 -10.557 1.00 15.54 C ATOM 1071 C ALA A 71 14.450 -2.554 -11.884 1.00 20.12 C ATOM 1072 O ALA A 71 14.895 -3.234 -12.809 1.00 0.21 O ATOM 1073 CB ALA A 71 16.422 -1.569 -10.702 1.00 13.34 C ATOM 0 H ALA A 71 15.467 -4.525 -10.756 1.00 33.43 H new ATOM 0 HA ALA A 71 14.522 -2.011 -9.825 1.00 15.54 H new ATOM 0 HB1 ALA A 71 16.119 -0.587 -11.064 1.00 13.34 H new ATOM 0 HB2 ALA A 71 16.911 -1.464 -9.734 1.00 13.34 H new ATOM 0 HB3 ALA A 71 17.116 -2.020 -11.412 1.00 13.34 H new ATOM 1079 N LYS A 72 13.314 -1.871 -11.971 1.00 34.31 N ATOM 1080 CA LYS A 72 12.506 -1.880 -13.185 1.00 43.11 C ATOM 1081 C LYS A 72 11.787 -0.548 -13.370 1.00 11.44 C ATOM 1082 O LYS A 72 12.400 0.406 -13.847 1.00 11.14 O ATOM 1083 CB LYS A 72 11.486 -3.020 -13.136 1.00 45.21 C ATOM 1084 CG LYS A 72 10.868 -3.341 -14.486 1.00 13.25 C ATOM 1085 CD LYS A 72 9.515 -4.017 -14.332 1.00 44.23 C ATOM 1086 CE LYS A 72 9.640 -5.358 -13.626 1.00 14.02 C ATOM 1087 NZ LYS A 72 9.012 -6.458 -14.409 1.00 52.22 N ATOM 0 H LYS A 72 12.931 -1.304 -11.215 1.00 34.31 H new ATOM 0 HA LYS A 72 13.173 -2.034 -14.034 1.00 43.11 H new ATOM 0 HB2 LYS A 72 11.972 -3.915 -12.746 1.00 45.21 H new ATOM 0 HB3 LYS A 72 10.693 -2.757 -12.436 1.00 45.21 H new ATOM 0 HG2 LYS A 72 10.754 -2.423 -15.063 1.00 13.25 H new ATOM 0 HG3 LYS A 72 11.538 -3.990 -15.049 1.00 13.25 H new ATOM 0 HD2 LYS A 72 8.845 -3.368 -13.768 1.00 44.23 H new ATOM 0 HD3 LYS A 72 9.066 -4.162 -15.314 1.00 44.23 H new ATOM 0 HE2 LYS A 72 10.693 -5.585 -13.461 1.00 14.02 H new ATOM 0 HE3 LYS A 72 9.170 -5.297 -12.644 1.00 14.02 H new ATOM 0 HZ1 LYS A 72 9.118 -7.355 -13.894 1.00 52.22 H new ATOM 0 HZ2 LYS A 72 8.001 -6.254 -14.545 1.00 52.22 H new ATOM 0 HZ3 LYS A 72 9.477 -6.534 -15.336 1.00 52.22 H new TER 1101 LYS A 72