USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 543 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 HIS : no HE2:sc= 0.583 K(o=0.58,f=-2!) USER MOD Set 1.2: A 35 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 23 GLN : amide:sc= -0.0113 K(o=-0.011,f=-1.2) USER MOD Set 2.2: A 25 ASN : amide:sc= 0 X(o=-0.011,f=-0.011) USER MOD Set 3.1: A 12 TYR OH : rot 166:sc= 0.393 USER MOD Set 3.2: A 17 ASN : amide:sc= -0.557 X(o=-0.16,f=-0.06) USER MOD Single : A 1 MET CE :methyl -171:sc= -0.258 (180deg=-0.466) USER MOD Single : A 1 MET N :NH3+ 166:sc= 1.18 (180deg=1.05) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ -168:sc= 1.28 (180deg=1.03) USER MOD Single : A 10 LYS NZ :NH3+ 168:sc= 1.04 (180deg=0.234) USER MOD Single : A 13 ASN : amide:sc= 0.67 K(o=0.67,f=-8.9!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0344) USER MOD Single : A 28 LYS NZ :NH3+ -166:sc= -0.0127 (180deg=-0.249) USER MOD Single : A 34 LYS NZ :NH3+ -155:sc= 0.78 (180deg=0.109) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= -0.065 USER MOD Single : A 49 GLN : amide:sc= -1.96! K(o=-2!,f=-0.31) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc=-0.00787 (180deg=-0.00787) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.0383 X(o=-0.038,f=-0.0093) USER MOD Single : A 70 LYS NZ :NH3+ -171:sc= 1.29 (180deg=1.17) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.827 12.410 4.640 1.00 64.23 N ATOM 2 CA MET A 1 6.014 11.196 4.669 1.00 74.41 C ATOM 3 C MET A 1 4.713 11.481 5.355 1.00 11.22 C ATOM 4 O MET A 1 4.691 11.817 6.538 1.00 72.11 O ATOM 5 CB MET A 1 6.742 10.055 5.400 1.00 50.14 C ATOM 6 CG MET A 1 5.949 8.744 5.449 1.00 51.24 C ATOM 7 SD MET A 1 6.785 7.427 6.366 1.00 72.24 S ATOM 8 CE MET A 1 8.302 7.238 5.425 1.00 2.34 C ATOM 0 H1 MET A 1 7.806 12.166 4.386 1.00 64.23 H new ATOM 0 H2 MET A 1 6.440 13.070 3.935 1.00 64.23 H new ATOM 0 H3 MET A 1 6.814 12.859 5.578 1.00 64.23 H new ATOM 0 HA MET A 1 5.833 10.882 3.641 1.00 74.41 H new ATOM 0 HB2 MET A 1 7.697 9.872 4.908 1.00 50.14 H new ATOM 0 HB3 MET A 1 6.964 10.372 6.419 1.00 50.14 H new ATOM 0 HG2 MET A 1 4.978 8.933 5.906 1.00 51.24 H new ATOM 0 HG3 MET A 1 5.762 8.404 4.431 1.00 51.24 H new ATOM 0 HE1 MET A 1 8.840 6.358 5.776 1.00 2.34 H new ATOM 0 HE2 MET A 1 8.062 7.120 4.368 1.00 2.34 H new ATOM 0 HE3 MET A 1 8.926 8.122 5.559 1.00 2.34 H new ATOM 20 N ALA A 2 3.640 11.365 4.626 1.00 0.40 N ATOM 21 CA ALA A 2 2.339 11.580 5.170 1.00 61.04 C ATOM 22 C ALA A 2 1.904 10.313 5.851 1.00 63.44 C ATOM 23 O ALA A 2 2.000 9.231 5.265 1.00 74.01 O ATOM 24 CB ALA A 2 1.359 11.977 4.073 1.00 33.53 C ATOM 0 H ALA A 2 3.648 11.118 3.636 1.00 0.40 H new ATOM 0 HA ALA A 2 2.362 12.396 5.892 1.00 61.04 H new ATOM 0 HB1 ALA A 2 0.372 12.137 4.507 1.00 33.53 H new ATOM 0 HB2 ALA A 2 1.699 12.897 3.597 1.00 33.53 H new ATOM 0 HB3 ALA A 2 1.304 11.182 3.329 1.00 33.53 H new ATOM 30 N THR A 3 1.469 10.431 7.062 1.00 43.04 N ATOM 31 CA THR A 3 1.068 9.293 7.825 1.00 2.44 C ATOM 32 C THR A 3 -0.437 9.156 7.866 1.00 42.50 C ATOM 33 O THR A 3 -1.164 10.162 7.780 1.00 53.02 O ATOM 34 CB THR A 3 1.646 9.342 9.259 1.00 13.12 C ATOM 35 OG1 THR A 3 1.405 10.637 9.844 1.00 13.32 O ATOM 36 CG2 THR A 3 3.139 9.039 9.263 1.00 23.12 C ATOM 0 H THR A 3 1.381 11.321 7.553 1.00 43.04 H new ATOM 0 HA THR A 3 1.474 8.414 7.325 1.00 2.44 H new ATOM 0 HB THR A 3 1.144 8.578 9.852 1.00 13.12 H new ATOM 0 HG1 THR A 3 1.772 10.659 10.752 1.00 13.32 H new ATOM 0 HG21 THR A 3 3.516 9.081 10.285 1.00 23.12 H new ATOM 0 HG22 THR A 3 3.309 8.043 8.854 1.00 23.12 H new ATOM 0 HG23 THR A 3 3.661 9.776 8.653 1.00 23.12 H new ATOM 44 N ASN A 4 -0.897 7.922 7.978 1.00 73.34 N ATOM 45 CA ASN A 4 -2.324 7.590 8.064 1.00 74.35 C ATOM 46 C ASN A 4 -3.068 8.021 6.811 1.00 33.20 C ATOM 47 O ASN A 4 -3.727 9.074 6.774 1.00 53.25 O ATOM 48 CB ASN A 4 -3.002 8.172 9.328 1.00 53.24 C ATOM 49 CG ASN A 4 -2.410 7.647 10.620 1.00 53.50 C ATOM 50 OD1 ASN A 4 -2.856 6.632 11.157 1.00 55.01 O ATOM 51 ND2 ASN A 4 -1.420 8.336 11.138 1.00 31.12 N ATOM 0 H ASN A 4 -0.288 7.105 8.013 1.00 73.34 H new ATOM 0 HA ASN A 4 -2.379 6.504 8.146 1.00 74.35 H new ATOM 0 HB2 ASN A 4 -2.915 9.258 9.311 1.00 53.24 H new ATOM 0 HB3 ASN A 4 -4.066 7.937 9.302 1.00 53.24 H new ATOM 0 HD21 ASN A 4 -0.993 8.036 12.014 1.00 31.12 H new ATOM 0 HD22 ASN A 4 -1.077 9.172 10.664 1.00 31.12 H new ATOM 58 N ILE A 5 -2.890 7.264 5.777 1.00 40.22 N ATOM 59 CA ILE A 5 -3.508 7.512 4.506 1.00 70.32 C ATOM 60 C ILE A 5 -4.587 6.496 4.238 1.00 3.45 C ATOM 61 O ILE A 5 -4.515 5.366 4.713 1.00 25.12 O ATOM 62 CB ILE A 5 -2.447 7.439 3.389 1.00 34.34 C ATOM 63 CG1 ILE A 5 -1.369 8.464 3.683 1.00 23.04 C ATOM 64 CG2 ILE A 5 -3.050 7.633 1.992 1.00 13.21 C ATOM 65 CD1 ILE A 5 -0.347 8.595 2.616 1.00 4.41 C ATOM 0 H ILE A 5 -2.297 6.434 5.789 1.00 40.22 H new ATOM 0 HA ILE A 5 -3.955 8.506 4.524 1.00 70.32 H new ATOM 0 HB ILE A 5 -2.012 6.440 3.380 1.00 34.34 H new ATOM 0 HG12 ILE A 5 -1.840 9.434 3.841 1.00 23.04 H new ATOM 0 HG13 ILE A 5 -0.872 8.195 4.615 1.00 23.04 H new ATOM 0 HG21 ILE A 5 -2.260 7.572 1.243 1.00 13.21 H new ATOM 0 HG22 ILE A 5 -3.789 6.854 1.803 1.00 13.21 H new ATOM 0 HG23 ILE A 5 -3.530 8.610 1.935 1.00 13.21 H new ATOM 0 HD11 ILE A 5 0.386 9.348 2.905 1.00 4.41 H new ATOM 0 HD12 ILE A 5 0.153 7.637 2.472 1.00 4.41 H new ATOM 0 HD13 ILE A 5 -0.829 8.896 1.686 1.00 4.41 H new ATOM 77 N VAL A 6 -5.573 6.905 3.493 1.00 63.24 N ATOM 78 CA VAL A 6 -6.650 6.049 3.122 1.00 4.12 C ATOM 79 C VAL A 6 -6.399 5.459 1.760 1.00 40.41 C ATOM 80 O VAL A 6 -6.005 6.165 0.815 1.00 35.02 O ATOM 81 CB VAL A 6 -8.006 6.798 3.068 1.00 45.24 C ATOM 82 CG1 VAL A 6 -9.122 5.873 2.564 1.00 11.03 C ATOM 83 CG2 VAL A 6 -8.359 7.390 4.422 1.00 43.33 C ATOM 0 H VAL A 6 -5.648 7.853 3.125 1.00 63.24 H new ATOM 0 HA VAL A 6 -6.704 5.272 3.885 1.00 4.12 H new ATOM 0 HB VAL A 6 -7.906 7.622 2.361 1.00 45.24 H new ATOM 0 HG11 VAL A 6 -10.064 6.421 2.535 1.00 11.03 H new ATOM 0 HG12 VAL A 6 -8.877 5.519 1.563 1.00 11.03 H new ATOM 0 HG13 VAL A 6 -9.219 5.020 3.236 1.00 11.03 H new ATOM 0 HG21 VAL A 6 -9.315 7.909 4.354 1.00 43.33 H new ATOM 0 HG22 VAL A 6 -8.432 6.592 5.160 1.00 43.33 H new ATOM 0 HG23 VAL A 6 -7.584 8.094 4.724 1.00 43.33 H new ATOM 93 N GLY A 7 -6.584 4.198 1.673 1.00 12.43 N ATOM 94 CA GLY A 7 -6.574 3.549 0.434 1.00 22.42 C ATOM 95 C GLY A 7 -7.187 2.199 0.517 1.00 4.10 C ATOM 96 O GLY A 7 -7.527 1.729 1.576 1.00 62.12 O ATOM 0 H GLY A 7 -6.748 3.586 2.472 1.00 12.43 H new ATOM 0 HA2 GLY A 7 -7.115 4.150 -0.296 1.00 22.42 H new ATOM 0 HA3 GLY A 7 -5.548 3.462 0.077 1.00 22.42 H new ATOM 100 N LYS A 8 -7.372 1.628 -0.591 1.00 63.15 N ATOM 101 CA LYS A 8 -7.849 0.304 -0.740 1.00 22.44 C ATOM 102 C LYS A 8 -6.903 -0.461 -1.662 1.00 11.11 C ATOM 103 O LYS A 8 -6.483 0.053 -2.707 1.00 71.25 O ATOM 104 CB LYS A 8 -9.282 0.330 -1.282 1.00 60.30 C ATOM 105 CG LYS A 8 -9.863 -1.031 -1.579 1.00 11.05 C ATOM 106 CD LYS A 8 -11.333 -0.947 -1.964 1.00 62.13 C ATOM 107 CE LYS A 8 -12.196 -0.505 -0.790 1.00 64.14 C ATOM 108 NZ LYS A 8 -13.626 -0.442 -1.142 1.00 35.24 N ATOM 0 H LYS A 8 -7.187 2.089 -1.482 1.00 63.15 H new ATOM 0 HA LYS A 8 -7.873 -0.206 0.223 1.00 22.44 H new ATOM 0 HB2 LYS A 8 -9.922 0.834 -0.558 1.00 60.30 H new ATOM 0 HB3 LYS A 8 -9.301 0.926 -2.194 1.00 60.30 H new ATOM 0 HG2 LYS A 8 -9.301 -1.497 -2.389 1.00 11.05 H new ATOM 0 HG3 LYS A 8 -9.753 -1.672 -0.704 1.00 11.05 H new ATOM 0 HD2 LYS A 8 -11.454 -0.246 -2.789 1.00 62.13 H new ATOM 0 HD3 LYS A 8 -11.673 -1.920 -2.320 1.00 62.13 H new ATOM 0 HE2 LYS A 8 -12.058 -1.197 0.041 1.00 64.14 H new ATOM 0 HE3 LYS A 8 -11.865 0.475 -0.447 1.00 64.14 H new ATOM 0 HZ1 LYS A 8 -14.147 0.051 -0.389 1.00 35.24 H new ATOM 0 HZ2 LYS A 8 -13.741 0.074 -2.038 1.00 35.24 H new ATOM 0 HZ3 LYS A 8 -14.000 -1.407 -1.247 1.00 35.24 H new ATOM 122 N VAL A 9 -6.541 -1.652 -1.255 1.00 12.31 N ATOM 123 CA VAL A 9 -5.623 -2.485 -2.001 1.00 51.11 C ATOM 124 C VAL A 9 -6.222 -2.835 -3.357 1.00 24.03 C ATOM 125 O VAL A 9 -7.261 -3.520 -3.435 1.00 2.25 O ATOM 126 CB VAL A 9 -5.267 -3.806 -1.225 1.00 33.50 C ATOM 127 CG1 VAL A 9 -4.235 -4.648 -1.980 1.00 53.44 C ATOM 128 CG2 VAL A 9 -4.765 -3.505 0.174 1.00 62.23 C ATOM 0 H VAL A 9 -6.876 -2.077 -0.390 1.00 12.31 H new ATOM 0 HA VAL A 9 -4.702 -1.918 -2.137 1.00 51.11 H new ATOM 0 HB VAL A 9 -6.188 -4.384 -1.149 1.00 33.50 H new ATOM 0 HG11 VAL A 9 -4.016 -5.552 -1.411 1.00 53.44 H new ATOM 0 HG12 VAL A 9 -4.633 -4.922 -2.957 1.00 53.44 H new ATOM 0 HG13 VAL A 9 -3.320 -4.071 -2.110 1.00 53.44 H new ATOM 0 HG21 VAL A 9 -4.528 -4.439 0.684 1.00 62.23 H new ATOM 0 HG22 VAL A 9 -3.870 -2.886 0.114 1.00 62.23 H new ATOM 0 HG23 VAL A 9 -5.537 -2.973 0.731 1.00 62.23 H new ATOM 138 N LYS A 10 -5.594 -2.327 -4.410 1.00 31.21 N ATOM 139 CA LYS A 10 -5.990 -2.640 -5.769 1.00 34.51 C ATOM 140 C LYS A 10 -5.813 -4.124 -6.012 1.00 12.25 C ATOM 141 O LYS A 10 -6.705 -4.792 -6.530 1.00 31.21 O ATOM 142 CB LYS A 10 -5.125 -1.911 -6.796 1.00 33.43 C ATOM 143 CG LYS A 10 -5.373 -0.449 -7.075 1.00 32.32 C ATOM 144 CD LYS A 10 -4.408 -0.011 -8.180 1.00 30.44 C ATOM 145 CE LYS A 10 -4.590 1.419 -8.639 1.00 21.51 C ATOM 146 NZ LYS A 10 -5.869 1.623 -9.334 1.00 23.22 N ATOM 0 H LYS A 10 -4.800 -1.690 -4.342 1.00 31.21 H new ATOM 0 HA LYS A 10 -7.028 -2.328 -5.883 1.00 34.51 H new ATOM 0 HB2 LYS A 10 -4.087 -2.011 -6.478 1.00 33.43 H new ATOM 0 HB3 LYS A 10 -5.222 -2.445 -7.742 1.00 33.43 H new ATOM 0 HG2 LYS A 10 -6.406 -0.289 -7.385 1.00 32.32 H new ATOM 0 HG3 LYS A 10 -5.216 0.144 -6.174 1.00 32.32 H new ATOM 0 HD2 LYS A 10 -3.386 -0.138 -7.824 1.00 30.44 H new ATOM 0 HD3 LYS A 10 -4.532 -0.673 -9.037 1.00 30.44 H new ATOM 0 HE2 LYS A 10 -4.537 2.084 -7.777 1.00 21.51 H new ATOM 0 HE3 LYS A 10 -3.770 1.692 -9.303 1.00 21.51 H new ATOM 0 HZ1 LYS A 10 -6.043 2.642 -9.449 1.00 23.22 H new ATOM 0 HZ2 LYS A 10 -5.832 1.170 -10.269 1.00 23.22 H new ATOM 0 HZ3 LYS A 10 -6.639 1.201 -8.776 1.00 23.22 H new ATOM 160 N TRP A 11 -4.637 -4.609 -5.643 1.00 23.20 N ATOM 161 CA TRP A 11 -4.233 -5.993 -5.782 1.00 12.15 C ATOM 162 C TRP A 11 -2.870 -6.164 -5.154 1.00 4.51 C ATOM 163 O TRP A 11 -2.186 -5.167 -4.866 1.00 43.54 O ATOM 164 CB TRP A 11 -4.183 -6.437 -7.271 1.00 71.44 C ATOM 165 CG TRP A 11 -3.311 -5.584 -8.151 1.00 25.50 C ATOM 166 CD1 TRP A 11 -3.682 -4.476 -8.853 1.00 23.44 C ATOM 167 CD2 TRP A 11 -1.929 -5.782 -8.419 1.00 35.23 C ATOM 168 NE1 TRP A 11 -2.605 -3.967 -9.524 1.00 35.10 N ATOM 169 CE2 TRP A 11 -1.516 -4.754 -9.275 1.00 72.23 C ATOM 170 CE3 TRP A 11 -1.008 -6.727 -8.008 1.00 54.03 C ATOM 171 CZ2 TRP A 11 -0.206 -4.651 -9.730 1.00 34.44 C ATOM 172 CZ3 TRP A 11 0.291 -6.630 -8.452 1.00 70.15 C ATOM 173 CH2 TRP A 11 0.683 -5.597 -9.305 1.00 61.31 C ATOM 0 H TRP A 11 -3.914 -4.025 -5.223 1.00 23.20 H new ATOM 0 HA TRP A 11 -4.971 -6.619 -5.280 1.00 12.15 H new ATOM 0 HB2 TRP A 11 -3.827 -7.466 -7.318 1.00 71.44 H new ATOM 0 HB3 TRP A 11 -5.197 -6.432 -7.672 1.00 71.44 H new ATOM 0 HD1 TRP A 11 -4.679 -4.062 -8.876 1.00 23.44 H new ATOM 0 HE1 TRP A 11 -2.613 -3.135 -10.114 1.00 35.10 H new ATOM 0 HE3 TRP A 11 -1.303 -7.530 -7.348 1.00 54.03 H new ATOM 0 HZ2 TRP A 11 0.097 -3.854 -10.393 1.00 34.44 H new ATOM 0 HZ3 TRP A 11 1.018 -7.364 -8.136 1.00 70.15 H new ATOM 0 HH2 TRP A 11 1.710 -5.545 -9.636 1.00 61.31 H new ATOM 184 N TYR A 12 -2.478 -7.391 -4.953 1.00 55.50 N ATOM 185 CA TYR A 12 -1.180 -7.715 -4.406 1.00 32.12 C ATOM 186 C TYR A 12 -0.668 -8.998 -5.043 1.00 65.42 C ATOM 187 O TYR A 12 -1.440 -9.922 -5.290 1.00 11.33 O ATOM 188 CB TYR A 12 -1.247 -7.862 -2.862 1.00 31.24 C ATOM 189 CG TYR A 12 0.071 -8.271 -2.213 1.00 70.34 C ATOM 190 CD1 TYR A 12 1.055 -7.333 -1.920 1.00 34.41 C ATOM 191 CD2 TYR A 12 0.329 -9.604 -1.906 1.00 41.15 C ATOM 192 CE1 TYR A 12 2.256 -7.716 -1.342 1.00 52.44 C ATOM 193 CE2 TYR A 12 1.519 -9.991 -1.330 1.00 65.42 C ATOM 194 CZ TYR A 12 2.478 -9.047 -1.049 1.00 41.15 C ATOM 195 OH TYR A 12 3.678 -9.440 -0.488 1.00 43.42 O ATOM 0 H TYR A 12 -3.053 -8.206 -5.165 1.00 55.50 H new ATOM 0 HA TYR A 12 -0.491 -6.901 -4.631 1.00 32.12 H new ATOM 0 HB2 TYR A 12 -1.571 -6.914 -2.432 1.00 31.24 H new ATOM 0 HB3 TYR A 12 -2.007 -8.602 -2.612 1.00 31.24 H new ATOM 0 HD1 TYR A 12 0.881 -6.291 -2.146 1.00 34.41 H new ATOM 0 HD2 TYR A 12 -0.420 -10.351 -2.124 1.00 41.15 H new ATOM 0 HE1 TYR A 12 3.013 -6.978 -1.122 1.00 52.44 H new ATOM 0 HE2 TYR A 12 1.698 -11.031 -1.100 1.00 65.42 H new ATOM 0 HH TYR A 12 3.593 -10.352 -0.140 1.00 43.42 H new ATOM 205 N ASN A 13 0.608 -9.040 -5.334 1.00 31.33 N ATOM 206 CA ASN A 13 1.247 -10.225 -5.880 1.00 13.11 C ATOM 207 C ASN A 13 2.205 -10.780 -4.838 1.00 60.15 C ATOM 208 O ASN A 13 3.127 -10.085 -4.408 1.00 72.14 O ATOM 209 CB ASN A 13 2.017 -9.893 -7.167 1.00 73.43 C ATOM 210 CG ASN A 13 2.634 -11.124 -7.810 1.00 60.00 C ATOM 211 OD1 ASN A 13 3.755 -11.485 -7.514 1.00 3.21 O ATOM 212 ND2 ASN A 13 1.910 -11.764 -8.695 1.00 54.35 N ATOM 0 H ASN A 13 1.242 -8.252 -5.200 1.00 31.33 H new ATOM 0 HA ASN A 13 0.483 -10.962 -6.127 1.00 13.11 H new ATOM 0 HB2 ASN A 13 1.342 -9.416 -7.877 1.00 73.43 H new ATOM 0 HB3 ASN A 13 2.803 -9.173 -6.941 1.00 73.43 H new ATOM 0 HD21 ASN A 13 2.285 -12.592 -9.158 1.00 54.35 H new ATOM 0 HD22 ASN A 13 0.972 -11.434 -8.921 1.00 54.35 H new ATOM 219 N SER A 14 2.001 -12.012 -4.444 1.00 45.01 N ATOM 220 CA SER A 14 2.796 -12.630 -3.397 1.00 74.30 C ATOM 221 C SER A 14 4.189 -13.036 -3.894 1.00 52.53 C ATOM 222 O SER A 14 5.154 -13.051 -3.124 1.00 13.33 O ATOM 223 CB SER A 14 2.047 -13.834 -2.831 1.00 1.23 C ATOM 224 OG SER A 14 0.783 -13.431 -2.309 1.00 12.45 O ATOM 0 H SER A 14 1.281 -12.620 -4.836 1.00 45.01 H new ATOM 0 HA SER A 14 2.948 -11.894 -2.607 1.00 74.30 H new ATOM 0 HB2 SER A 14 1.904 -14.581 -3.611 1.00 1.23 H new ATOM 0 HB3 SER A 14 2.640 -14.303 -2.045 1.00 1.23 H new ATOM 0 HG SER A 14 0.313 -14.213 -1.951 1.00 12.45 H new ATOM 230 N THR A 15 4.293 -13.341 -5.170 1.00 11.01 N ATOM 231 CA THR A 15 5.542 -13.767 -5.750 1.00 60.24 C ATOM 232 C THR A 15 6.562 -12.608 -5.797 1.00 25.44 C ATOM 233 O THR A 15 7.706 -12.756 -5.378 1.00 51.22 O ATOM 234 CB THR A 15 5.306 -14.321 -7.174 1.00 22.33 C ATOM 235 OG1 THR A 15 4.294 -15.341 -7.120 1.00 3.41 O ATOM 236 CG2 THR A 15 6.584 -14.919 -7.749 1.00 73.12 C ATOM 0 H THR A 15 3.516 -13.300 -5.829 1.00 11.01 H new ATOM 0 HA THR A 15 5.954 -14.556 -5.120 1.00 60.24 H new ATOM 0 HB THR A 15 4.988 -13.500 -7.816 1.00 22.33 H new ATOM 0 HG1 THR A 15 4.138 -15.695 -8.020 1.00 3.41 H new ATOM 0 HG21 THR A 15 6.388 -15.301 -8.751 1.00 73.12 H new ATOM 0 HG22 THR A 15 7.355 -14.151 -7.798 1.00 73.12 H new ATOM 0 HG23 THR A 15 6.924 -15.734 -7.110 1.00 73.12 H new ATOM 244 N LYS A 16 6.133 -11.461 -6.291 1.00 61.34 N ATOM 245 CA LYS A 16 7.024 -10.322 -6.443 1.00 5.24 C ATOM 246 C LYS A 16 6.955 -9.362 -5.265 1.00 15.13 C ATOM 247 O LYS A 16 7.771 -8.447 -5.172 1.00 31.33 O ATOM 248 CB LYS A 16 6.693 -9.561 -7.724 1.00 42.24 C ATOM 249 CG LYS A 16 6.870 -10.356 -8.987 1.00 65.22 C ATOM 250 CD LYS A 16 6.532 -9.517 -10.211 1.00 1.02 C ATOM 251 CE LYS A 16 7.398 -8.254 -10.327 1.00 35.24 C ATOM 252 NZ LYS A 16 8.839 -8.563 -10.426 1.00 71.11 N ATOM 0 H LYS A 16 5.174 -11.292 -6.594 1.00 61.34 H new ATOM 0 HA LYS A 16 8.037 -10.723 -6.489 1.00 5.24 H new ATOM 0 HB2 LYS A 16 5.661 -9.215 -7.669 1.00 42.24 H new ATOM 0 HB3 LYS A 16 7.324 -8.674 -7.777 1.00 42.24 H new ATOM 0 HG2 LYS A 16 7.899 -10.710 -9.057 1.00 65.22 H new ATOM 0 HG3 LYS A 16 6.230 -11.238 -8.958 1.00 65.22 H new ATOM 0 HD2 LYS A 16 6.661 -10.123 -11.108 1.00 1.02 H new ATOM 0 HD3 LYS A 16 5.482 -9.229 -10.169 1.00 1.02 H new ATOM 0 HE2 LYS A 16 7.090 -7.686 -11.205 1.00 35.24 H new ATOM 0 HE3 LYS A 16 7.225 -7.618 -9.459 1.00 35.24 H new ATOM 0 HZ1 LYS A 16 9.374 -7.683 -10.570 1.00 71.11 H new ATOM 0 HZ2 LYS A 16 9.157 -9.021 -9.548 1.00 71.11 H new ATOM 0 HZ3 LYS A 16 9.002 -9.203 -11.229 1.00 71.11 H new ATOM 266 N ASN A 17 5.997 -9.575 -4.362 1.00 21.22 N ATOM 267 CA ASN A 17 5.825 -8.709 -3.168 1.00 10.41 C ATOM 268 C ASN A 17 5.491 -7.271 -3.553 1.00 71.01 C ATOM 269 O ASN A 17 5.827 -6.318 -2.824 1.00 4.04 O ATOM 270 CB ASN A 17 7.070 -8.745 -2.263 1.00 21.01 C ATOM 271 CG ASN A 17 7.275 -10.076 -1.571 1.00 71.24 C ATOM 272 OD1 ASN A 17 8.409 -10.499 -1.352 1.00 21.21 O ATOM 273 ND2 ASN A 17 6.202 -10.714 -1.160 1.00 21.41 N ATOM 0 H ASN A 17 5.322 -10.337 -4.424 1.00 21.22 H new ATOM 0 HA ASN A 17 4.981 -9.111 -2.607 1.00 10.41 H new ATOM 0 HB2 ASN A 17 7.952 -8.516 -2.862 1.00 21.01 H new ATOM 0 HB3 ASN A 17 6.985 -7.962 -1.510 1.00 21.01 H new ATOM 0 HD21 ASN A 17 6.295 -11.588 -0.642 1.00 21.41 H new ATOM 0 HD22 ASN A 17 5.276 -10.335 -1.359 1.00 21.41 H new ATOM 280 N PHE A 18 4.816 -7.113 -4.667 1.00 12.23 N ATOM 281 CA PHE A 18 4.365 -5.816 -5.120 1.00 31.42 C ATOM 282 C PHE A 18 2.876 -5.833 -5.322 1.00 45.35 C ATOM 283 O PHE A 18 2.262 -6.898 -5.391 1.00 14.40 O ATOM 284 CB PHE A 18 5.054 -5.351 -6.420 1.00 4.41 C ATOM 285 CG PHE A 18 6.516 -5.023 -6.297 1.00 43.00 C ATOM 286 CD1 PHE A 18 6.922 -3.867 -5.651 1.00 62.20 C ATOM 287 CD2 PHE A 18 7.478 -5.853 -6.835 1.00 24.23 C ATOM 288 CE1 PHE A 18 8.262 -3.549 -5.542 1.00 1.40 C ATOM 289 CE2 PHE A 18 8.820 -5.542 -6.732 1.00 61.31 C ATOM 290 CZ PHE A 18 9.211 -4.389 -6.085 1.00 22.43 C ATOM 0 H PHE A 18 4.563 -7.882 -5.287 1.00 12.23 H new ATOM 0 HA PHE A 18 4.638 -5.104 -4.341 1.00 31.42 H new ATOM 0 HB2 PHE A 18 4.937 -6.132 -7.172 1.00 4.41 H new ATOM 0 HB3 PHE A 18 4.532 -4.469 -6.792 1.00 4.41 H new ATOM 0 HD1 PHE A 18 6.181 -3.205 -5.227 1.00 62.20 H new ATOM 0 HD2 PHE A 18 7.178 -6.757 -7.343 1.00 24.23 H new ATOM 0 HE1 PHE A 18 8.565 -2.646 -5.033 1.00 1.40 H new ATOM 0 HE2 PHE A 18 9.562 -6.201 -7.158 1.00 61.31 H new ATOM 0 HZ PHE A 18 10.260 -4.144 -6.004 1.00 22.43 H new ATOM 300 N GLY A 19 2.317 -4.679 -5.398 1.00 33.30 N ATOM 301 CA GLY A 19 0.926 -4.512 -5.631 1.00 71.34 C ATOM 302 C GLY A 19 0.642 -3.058 -5.676 1.00 34.23 C ATOM 303 O GLY A 19 1.575 -2.270 -5.640 1.00 31.41 O ATOM 0 H GLY A 19 2.827 -3.801 -5.297 1.00 33.30 H new ATOM 0 HA2 GLY A 19 0.637 -4.986 -6.569 1.00 71.34 H new ATOM 0 HA3 GLY A 19 0.347 -4.989 -4.841 1.00 71.34 H new ATOM 307 N PHE A 20 -0.592 -2.680 -5.731 1.00 22.11 N ATOM 308 CA PHE A 20 -0.947 -1.276 -5.757 1.00 0.04 C ATOM 309 C PHE A 20 -2.107 -0.989 -4.852 1.00 63.22 C ATOM 310 O PHE A 20 -2.895 -1.881 -4.541 1.00 4.14 O ATOM 311 CB PHE A 20 -1.227 -0.759 -7.174 1.00 2.32 C ATOM 312 CG PHE A 20 -0.016 -0.536 -8.049 1.00 53.23 C ATOM 313 CD1 PHE A 20 0.602 -1.584 -8.702 1.00 31.34 C ATOM 314 CD2 PHE A 20 0.495 0.741 -8.216 1.00 0.33 C ATOM 315 CE1 PHE A 20 1.708 -1.370 -9.500 1.00 3.43 C ATOM 316 CE2 PHE A 20 1.597 0.964 -9.015 1.00 52.22 C ATOM 317 CZ PHE A 20 2.207 -0.093 -9.658 1.00 1.52 C ATOM 0 H PHE A 20 -1.386 -3.319 -5.759 1.00 22.11 H new ATOM 0 HA PHE A 20 -0.076 -0.736 -5.387 1.00 0.04 H new ATOM 0 HB2 PHE A 20 -1.886 -1.468 -7.674 1.00 2.32 H new ATOM 0 HB3 PHE A 20 -1.772 0.182 -7.095 1.00 2.32 H new ATOM 0 HD1 PHE A 20 0.215 -2.586 -8.587 1.00 31.34 H new ATOM 0 HD2 PHE A 20 0.024 1.573 -7.714 1.00 0.33 H new ATOM 0 HE1 PHE A 20 2.182 -2.201 -10.000 1.00 3.43 H new ATOM 0 HE2 PHE A 20 1.982 1.966 -9.137 1.00 52.22 H new ATOM 0 HZ PHE A 20 3.071 0.078 -10.282 1.00 1.52 H new ATOM 327 N ILE A 21 -2.201 0.242 -4.422 1.00 43.41 N ATOM 328 CA ILE A 21 -3.259 0.698 -3.554 1.00 12.21 C ATOM 329 C ILE A 21 -3.780 2.040 -4.085 1.00 20.53 C ATOM 330 O ILE A 21 -3.004 2.850 -4.584 1.00 24.14 O ATOM 331 CB ILE A 21 -2.734 0.892 -2.085 1.00 42.32 C ATOM 332 CG1 ILE A 21 -2.136 -0.417 -1.538 1.00 14.43 C ATOM 333 CG2 ILE A 21 -3.846 1.382 -1.172 1.00 74.44 C ATOM 334 CD1 ILE A 21 -1.537 -0.292 -0.151 1.00 32.23 C ATOM 0 H ILE A 21 -1.532 0.971 -4.669 1.00 43.41 H new ATOM 0 HA ILE A 21 -4.054 -0.047 -3.539 1.00 12.21 H new ATOM 0 HB ILE A 21 -1.949 1.647 -2.110 1.00 42.32 H new ATOM 0 HG12 ILE A 21 -2.915 -1.179 -1.518 1.00 14.43 H new ATOM 0 HG13 ILE A 21 -1.365 -0.767 -2.225 1.00 14.43 H new ATOM 0 HG21 ILE A 21 -3.458 1.509 -0.161 1.00 74.44 H new ATOM 0 HG22 ILE A 21 -4.223 2.337 -1.538 1.00 74.44 H new ATOM 0 HG23 ILE A 21 -4.656 0.652 -1.161 1.00 74.44 H new ATOM 0 HD11 ILE A 21 -1.138 -1.257 0.161 1.00 32.23 H new ATOM 0 HD12 ILE A 21 -0.734 0.445 -0.166 1.00 32.23 H new ATOM 0 HD13 ILE A 21 -2.308 0.026 0.551 1.00 32.23 H new ATOM 346 N GLU A 22 -5.078 2.231 -4.020 1.00 45.01 N ATOM 347 CA GLU A 22 -5.727 3.479 -4.401 1.00 62.32 C ATOM 348 C GLU A 22 -6.849 3.656 -3.420 1.00 72.11 C ATOM 349 O GLU A 22 -7.383 2.664 -2.966 1.00 34.14 O ATOM 350 CB GLU A 22 -6.347 3.356 -5.808 1.00 5.43 C ATOM 351 CG GLU A 22 -7.494 2.340 -5.873 1.00 63.42 C ATOM 352 CD GLU A 22 -8.161 2.239 -7.210 1.00 71.31 C ATOM 353 OE1 GLU A 22 -8.908 3.152 -7.580 1.00 45.31 O ATOM 354 OE2 GLU A 22 -7.978 1.229 -7.888 1.00 41.22 O ATOM 0 H GLU A 22 -5.729 1.516 -3.696 1.00 45.01 H new ATOM 0 HA GLU A 22 -5.016 4.305 -4.404 1.00 62.32 H new ATOM 0 HB2 GLU A 22 -6.716 4.332 -6.123 1.00 5.43 H new ATOM 0 HB3 GLU A 22 -5.571 3.065 -6.516 1.00 5.43 H new ATOM 0 HG2 GLU A 22 -7.108 1.358 -5.599 1.00 63.42 H new ATOM 0 HG3 GLU A 22 -8.242 2.608 -5.127 1.00 63.42 H new ATOM 361 N GLN A 23 -7.222 4.842 -3.040 1.00 53.23 N ATOM 362 CA GLN A 23 -8.382 4.879 -2.193 1.00 21.52 C ATOM 363 C GLN A 23 -9.602 4.748 -3.026 1.00 1.42 C ATOM 364 O GLN A 23 -9.657 5.249 -4.160 1.00 63.15 O ATOM 365 CB GLN A 23 -8.492 6.060 -1.216 1.00 2.30 C ATOM 366 CG GLN A 23 -8.788 7.399 -1.815 1.00 43.01 C ATOM 367 CD GLN A 23 -8.881 8.469 -0.758 1.00 72.14 C ATOM 368 OE1 GLN A 23 -9.951 8.744 -0.233 1.00 44.23 O ATOM 369 NE2 GLN A 23 -7.771 9.040 -0.408 1.00 51.23 N ATOM 0 H GLN A 23 -6.784 5.732 -3.277 1.00 53.23 H new ATOM 0 HA GLN A 23 -8.269 4.027 -1.522 1.00 21.52 H new ATOM 0 HB2 GLN A 23 -9.273 5.831 -0.491 1.00 2.30 H new ATOM 0 HB3 GLN A 23 -7.555 6.133 -0.663 1.00 2.30 H new ATOM 0 HG2 GLN A 23 -8.008 7.659 -2.530 1.00 43.01 H new ATOM 0 HG3 GLN A 23 -9.725 7.351 -2.369 1.00 43.01 H new ATOM 0 HE21 GLN A 23 -6.898 8.784 -0.869 1.00 51.23 H new ATOM 0 HE22 GLN A 23 -7.771 9.745 0.329 1.00 51.23 H new ATOM 378 N ASP A 24 -10.553 4.075 -2.466 1.00 30.33 N ATOM 379 CA ASP A 24 -11.851 3.766 -3.093 1.00 4.23 C ATOM 380 C ASP A 24 -12.509 5.027 -3.665 1.00 62.33 C ATOM 381 O ASP A 24 -13.231 4.973 -4.658 1.00 44.41 O ATOM 382 CB ASP A 24 -12.763 3.152 -2.027 1.00 60.33 C ATOM 383 CG ASP A 24 -14.085 2.632 -2.555 1.00 42.22 C ATOM 384 OD1 ASP A 24 -14.158 1.448 -2.932 1.00 35.14 O ATOM 385 OD2 ASP A 24 -15.075 3.371 -2.552 1.00 20.42 O ATOM 0 H ASP A 24 -10.470 3.699 -1.522 1.00 30.33 H new ATOM 0 HA ASP A 24 -11.692 3.071 -3.917 1.00 4.23 H new ATOM 0 HB2 ASP A 24 -12.233 2.333 -1.541 1.00 60.33 H new ATOM 0 HB3 ASP A 24 -12.962 3.902 -1.261 1.00 60.33 H new ATOM 390 N ASN A 25 -12.215 6.154 -3.050 1.00 0.24 N ATOM 391 CA ASN A 25 -12.801 7.430 -3.424 1.00 64.13 C ATOM 392 C ASN A 25 -12.029 8.145 -4.542 1.00 33.14 C ATOM 393 O ASN A 25 -12.379 9.279 -4.896 1.00 20.35 O ATOM 394 CB ASN A 25 -12.851 8.356 -2.213 1.00 15.22 C ATOM 395 CG ASN A 25 -13.546 7.745 -1.024 1.00 40.34 C ATOM 396 OD1 ASN A 25 -12.909 7.125 -0.170 1.00 4.21 O ATOM 397 ND2 ASN A 25 -14.834 7.880 -0.966 1.00 44.30 N ATOM 0 H ASN A 25 -11.559 6.214 -2.271 1.00 0.24 H new ATOM 0 HA ASN A 25 -13.802 7.207 -3.794 1.00 64.13 H new ATOM 0 HB2 ASN A 25 -11.834 8.628 -1.930 1.00 15.22 H new ATOM 0 HB3 ASN A 25 -13.363 9.278 -2.490 1.00 15.22 H new ATOM 0 HD21 ASN A 25 -15.356 7.466 -0.194 1.00 44.30 H new ATOM 0 HD22 ASN A 25 -15.325 8.401 -1.692 1.00 44.30 H new ATOM 404 N GLY A 26 -10.990 7.528 -5.104 1.00 14.21 N ATOM 405 CA GLY A 26 -10.264 8.237 -6.145 1.00 22.34 C ATOM 406 C GLY A 26 -8.953 8.802 -5.648 1.00 72.00 C ATOM 407 O GLY A 26 -8.721 10.011 -5.737 1.00 12.11 O ATOM 0 H GLY A 26 -10.650 6.595 -4.872 1.00 14.21 H new ATOM 0 HA2 GLY A 26 -10.073 7.559 -6.977 1.00 22.34 H new ATOM 0 HA3 GLY A 26 -10.884 9.047 -6.529 1.00 22.34 H new ATOM 411 N GLY A 27 -8.131 7.964 -5.063 1.00 1.15 N ATOM 412 CA GLY A 27 -6.878 8.435 -4.487 1.00 1.42 C ATOM 413 C GLY A 27 -5.745 8.575 -5.489 1.00 32.22 C ATOM 414 O GLY A 27 -5.850 9.314 -6.476 1.00 14.31 O ATOM 0 H GLY A 27 -8.297 6.962 -4.970 1.00 1.15 H new ATOM 0 HA2 GLY A 27 -7.050 9.401 -4.013 1.00 1.42 H new ATOM 0 HA3 GLY A 27 -6.570 7.745 -3.702 1.00 1.42 H new ATOM 418 N LYS A 28 -4.666 7.873 -5.228 1.00 44.44 N ATOM 419 CA LYS A 28 -3.480 7.925 -6.055 1.00 41.24 C ATOM 420 C LYS A 28 -3.042 6.538 -6.428 1.00 70.42 C ATOM 421 O LYS A 28 -3.534 5.562 -5.871 1.00 44.13 O ATOM 422 CB LYS A 28 -2.330 8.586 -5.302 1.00 53.13 C ATOM 423 CG LYS A 28 -2.546 10.029 -4.931 1.00 35.30 C ATOM 424 CD LYS A 28 -1.326 10.557 -4.221 1.00 1.10 C ATOM 425 CE LYS A 28 -1.445 12.033 -3.895 1.00 40.43 C ATOM 426 NZ LYS A 28 -1.571 12.862 -5.114 1.00 4.21 N ATOM 0 H LYS A 28 -4.585 7.244 -4.429 1.00 44.44 H new ATOM 0 HA LYS A 28 -3.727 8.500 -6.948 1.00 41.24 H new ATOM 0 HB2 LYS A 28 -2.141 8.019 -4.391 1.00 53.13 H new ATOM 0 HB3 LYS A 28 -1.430 8.516 -5.913 1.00 53.13 H new ATOM 0 HG2 LYS A 28 -2.742 10.620 -5.826 1.00 35.30 H new ATOM 0 HG3 LYS A 28 -3.422 10.123 -4.289 1.00 35.30 H new ATOM 0 HD2 LYS A 28 -1.172 9.995 -3.300 1.00 1.10 H new ATOM 0 HD3 LYS A 28 -0.447 10.394 -4.844 1.00 1.10 H new ATOM 0 HE2 LYS A 28 -2.313 12.194 -3.256 1.00 40.43 H new ATOM 0 HE3 LYS A 28 -0.569 12.351 -3.329 1.00 40.43 H new ATOM 0 HZ1 LYS A 28 -1.412 13.861 -4.872 1.00 4.21 H new ATOM 0 HZ2 LYS A 28 -0.865 12.559 -5.815 1.00 4.21 H new ATOM 0 HZ3 LYS A 28 -2.525 12.750 -5.513 1.00 4.21 H new ATOM 440 N ASP A 29 -2.123 6.449 -7.357 1.00 15.40 N ATOM 441 CA ASP A 29 -1.543 5.178 -7.720 1.00 54.54 C ATOM 442 C ASP A 29 -0.258 4.987 -6.963 1.00 1.04 C ATOM 443 O ASP A 29 0.807 5.467 -7.372 1.00 35.55 O ATOM 444 CB ASP A 29 -1.295 5.048 -9.227 1.00 42.21 C ATOM 445 CG ASP A 29 -2.561 5.057 -10.041 1.00 3.14 C ATOM 446 OD1 ASP A 29 -3.220 4.001 -10.149 1.00 51.04 O ATOM 447 OD2 ASP A 29 -2.913 6.103 -10.601 1.00 24.21 O ATOM 0 H ASP A 29 -1.758 7.246 -7.879 1.00 15.40 H new ATOM 0 HA ASP A 29 -2.258 4.400 -7.454 1.00 54.54 H new ATOM 0 HB2 ASP A 29 -0.654 5.867 -9.555 1.00 42.21 H new ATOM 0 HB3 ASP A 29 -0.753 4.122 -9.421 1.00 42.21 H new ATOM 452 N VAL A 30 -0.363 4.361 -5.835 1.00 14.14 N ATOM 453 CA VAL A 30 0.776 4.091 -5.000 1.00 62.34 C ATOM 454 C VAL A 30 0.984 2.587 -4.911 1.00 45.14 C ATOM 455 O VAL A 30 0.022 1.837 -4.715 1.00 74.52 O ATOM 456 CB VAL A 30 0.610 4.750 -3.577 1.00 62.20 C ATOM 457 CG1 VAL A 30 -0.670 4.348 -2.895 1.00 24.02 C ATOM 458 CG2 VAL A 30 1.762 4.415 -2.681 1.00 41.45 C ATOM 0 H VAL A 30 -1.247 4.017 -5.459 1.00 14.14 H new ATOM 0 HA VAL A 30 1.665 4.539 -5.444 1.00 62.34 H new ATOM 0 HB VAL A 30 0.581 5.825 -3.753 1.00 62.20 H new ATOM 0 HG11 VAL A 30 -0.730 4.832 -1.920 1.00 24.02 H new ATOM 0 HG12 VAL A 30 -1.519 4.655 -3.505 1.00 24.02 H new ATOM 0 HG13 VAL A 30 -0.689 3.266 -2.765 1.00 24.02 H new ATOM 0 HG21 VAL A 30 1.615 4.885 -1.709 1.00 41.45 H new ATOM 0 HG22 VAL A 30 1.823 3.334 -2.556 1.00 41.45 H new ATOM 0 HG23 VAL A 30 2.687 4.782 -3.125 1.00 41.45 H new ATOM 468 N PHE A 31 2.208 2.126 -5.095 1.00 33.53 N ATOM 469 CA PHE A 31 2.428 0.705 -5.064 1.00 22.10 C ATOM 470 C PHE A 31 2.745 0.242 -3.669 1.00 12.41 C ATOM 471 O PHE A 31 3.311 0.984 -2.876 1.00 43.33 O ATOM 472 CB PHE A 31 3.498 0.213 -6.080 1.00 33.10 C ATOM 473 CG PHE A 31 4.927 0.599 -5.808 1.00 41.54 C ATOM 474 CD1 PHE A 31 5.739 -0.219 -5.031 1.00 2.44 C ATOM 475 CD2 PHE A 31 5.465 1.748 -6.343 1.00 34.23 C ATOM 476 CE1 PHE A 31 7.052 0.111 -4.791 1.00 75.11 C ATOM 477 CE2 PHE A 31 6.782 2.081 -6.105 1.00 13.20 C ATOM 478 CZ PHE A 31 7.574 1.265 -5.330 1.00 33.41 C ATOM 0 H PHE A 31 3.036 2.698 -5.262 1.00 33.53 H new ATOM 0 HA PHE A 31 1.491 0.248 -5.382 1.00 22.10 H new ATOM 0 HB2 PHE A 31 3.444 -0.875 -6.128 1.00 33.10 H new ATOM 0 HB3 PHE A 31 3.227 0.590 -7.066 1.00 33.10 H new ATOM 0 HD1 PHE A 31 5.333 -1.127 -4.610 1.00 2.44 H new ATOM 0 HD2 PHE A 31 4.851 2.393 -6.954 1.00 34.23 H new ATOM 0 HE1 PHE A 31 7.671 -0.532 -4.183 1.00 75.11 H new ATOM 0 HE2 PHE A 31 7.193 2.985 -6.528 1.00 13.20 H new ATOM 0 HZ PHE A 31 8.605 1.530 -5.145 1.00 33.41 H new ATOM 488 N VAL A 32 2.371 -0.952 -3.366 1.00 3.32 N ATOM 489 CA VAL A 32 2.649 -1.516 -2.089 1.00 74.55 C ATOM 490 C VAL A 32 3.757 -2.541 -2.230 1.00 41.23 C ATOM 491 O VAL A 32 3.796 -3.314 -3.190 1.00 31.23 O ATOM 492 CB VAL A 32 1.379 -2.143 -1.417 1.00 1.44 C ATOM 493 CG1 VAL A 32 0.772 -3.260 -2.248 1.00 61.43 C ATOM 494 CG2 VAL A 32 1.688 -2.634 -0.013 1.00 52.43 C ATOM 0 H VAL A 32 1.861 -1.569 -3.999 1.00 3.32 H new ATOM 0 HA VAL A 32 2.973 -0.714 -1.426 1.00 74.55 H new ATOM 0 HB VAL A 32 0.637 -1.347 -1.355 1.00 1.44 H new ATOM 0 HG11 VAL A 32 -0.104 -3.659 -1.737 1.00 61.43 H new ATOM 0 HG12 VAL A 32 0.477 -2.870 -3.222 1.00 61.43 H new ATOM 0 HG13 VAL A 32 1.507 -4.054 -2.382 1.00 61.43 H new ATOM 0 HG21 VAL A 32 0.789 -3.064 0.428 1.00 52.43 H new ATOM 0 HG22 VAL A 32 2.469 -3.393 -0.057 1.00 52.43 H new ATOM 0 HG23 VAL A 32 2.028 -1.798 0.598 1.00 52.43 H new ATOM 504 N HIS A 33 4.669 -2.518 -1.316 1.00 52.21 N ATOM 505 CA HIS A 33 5.743 -3.452 -1.307 1.00 4.11 C ATOM 506 C HIS A 33 5.750 -4.131 0.043 1.00 25.42 C ATOM 507 O HIS A 33 5.238 -3.569 1.007 1.00 12.32 O ATOM 508 CB HIS A 33 7.071 -2.734 -1.611 1.00 45.30 C ATOM 509 CG HIS A 33 8.228 -3.660 -1.686 1.00 42.53 C ATOM 510 ND1 HIS A 33 8.186 -4.837 -2.382 1.00 53.10 N ATOM 511 CD2 HIS A 33 9.421 -3.627 -1.090 1.00 13.25 C ATOM 512 CE1 HIS A 33 9.302 -5.480 -2.202 1.00 52.45 C ATOM 513 NE2 HIS A 33 10.071 -4.770 -1.429 1.00 3.43 N ATOM 0 H HIS A 33 4.689 -1.846 -0.549 1.00 52.21 H new ATOM 0 HA HIS A 33 5.617 -4.208 -2.082 1.00 4.11 H new ATOM 0 HB2 HIS A 33 6.980 -2.198 -2.556 1.00 45.30 H new ATOM 0 HB3 HIS A 33 7.259 -1.988 -0.839 1.00 45.30 H new ATOM 0 HD1 HIS A 33 7.404 -5.159 -2.952 1.00 53.10 H new ATOM 0 HD2 HIS A 33 9.799 -2.839 -0.456 1.00 13.25 H new ATOM 0 HE1 HIS A 33 9.549 -6.443 -2.624 1.00 52.45 H new ATOM 522 N LYS A 34 6.329 -5.317 0.126 1.00 3.11 N ATOM 523 CA LYS A 34 6.285 -6.095 1.352 1.00 43.04 C ATOM 524 C LYS A 34 6.971 -5.406 2.517 1.00 64.14 C ATOM 525 O LYS A 34 6.635 -5.658 3.638 1.00 22.40 O ATOM 526 CB LYS A 34 6.741 -7.541 1.150 1.00 23.13 C ATOM 527 CG LYS A 34 6.752 -8.378 2.421 1.00 71.00 C ATOM 528 CD LYS A 34 7.004 -9.810 2.108 1.00 1.30 C ATOM 529 CE LYS A 34 7.138 -10.662 3.359 1.00 11.14 C ATOM 530 NZ LYS A 34 8.313 -10.286 4.178 1.00 64.31 N ATOM 0 H LYS A 34 6.835 -5.762 -0.640 1.00 3.11 H new ATOM 0 HA LYS A 34 5.233 -6.155 1.633 1.00 43.04 H new ATOM 0 HB2 LYS A 34 6.086 -8.018 0.421 1.00 23.13 H new ATOM 0 HB3 LYS A 34 7.744 -7.537 0.723 1.00 23.13 H new ATOM 0 HG2 LYS A 34 7.522 -8.008 3.099 1.00 71.00 H new ATOM 0 HG3 LYS A 34 5.797 -8.276 2.937 1.00 71.00 H new ATOM 0 HD2 LYS A 34 6.188 -10.194 1.496 1.00 1.30 H new ATOM 0 HD3 LYS A 34 7.915 -9.895 1.515 1.00 1.30 H new ATOM 0 HE2 LYS A 34 6.234 -10.564 3.960 1.00 11.14 H new ATOM 0 HE3 LYS A 34 7.219 -11.711 3.073 1.00 11.14 H new ATOM 0 HZ1 LYS A 34 8.614 -11.102 4.748 1.00 64.31 H new ATOM 0 HZ2 LYS A 34 9.092 -9.994 3.554 1.00 64.31 H new ATOM 0 HZ3 LYS A 34 8.060 -9.498 4.808 1.00 64.31 H new ATOM 544 N SER A 35 7.905 -4.510 2.234 1.00 1.30 N ATOM 545 CA SER A 35 8.530 -3.676 3.288 1.00 3.51 C ATOM 546 C SER A 35 7.455 -2.951 4.151 1.00 40.34 C ATOM 547 O SER A 35 7.687 -2.635 5.320 1.00 42.43 O ATOM 548 CB SER A 35 9.471 -2.661 2.651 1.00 53.13 C ATOM 549 OG SER A 35 10.427 -3.316 1.830 1.00 30.14 O ATOM 0 H SER A 35 8.255 -4.331 1.293 1.00 1.30 H new ATOM 0 HA SER A 35 9.098 -4.330 3.949 1.00 3.51 H new ATOM 0 HB2 SER A 35 8.899 -1.949 2.056 1.00 53.13 H new ATOM 0 HB3 SER A 35 9.980 -2.091 3.428 1.00 53.13 H new ATOM 0 HG SER A 35 11.023 -2.650 1.427 1.00 30.14 H new ATOM 555 N ALA A 36 6.282 -2.718 3.569 1.00 52.13 N ATOM 556 CA ALA A 36 5.174 -2.119 4.283 1.00 41.11 C ATOM 557 C ALA A 36 4.561 -3.129 5.213 1.00 12.51 C ATOM 558 O ALA A 36 4.167 -2.807 6.334 1.00 73.33 O ATOM 559 CB ALA A 36 4.140 -1.665 3.326 1.00 0.50 C ATOM 0 H ALA A 36 6.080 -2.940 2.594 1.00 52.13 H new ATOM 0 HA ALA A 36 5.547 -1.268 4.853 1.00 41.11 H new ATOM 0 HB1 ALA A 36 3.311 -1.216 3.872 1.00 0.50 H new ATOM 0 HB2 ALA A 36 4.570 -0.927 2.649 1.00 0.50 H new ATOM 0 HB3 ALA A 36 3.777 -2.517 2.751 1.00 0.50 H new ATOM 565 N VAL A 37 4.471 -4.356 4.727 1.00 12.22 N ATOM 566 CA VAL A 37 4.007 -5.463 5.513 1.00 50.25 C ATOM 567 C VAL A 37 4.997 -5.714 6.606 1.00 64.03 C ATOM 568 O VAL A 37 4.630 -5.826 7.726 1.00 11.42 O ATOM 569 CB VAL A 37 3.825 -6.761 4.679 1.00 30.23 C ATOM 570 CG1 VAL A 37 3.474 -7.926 5.600 1.00 63.53 C ATOM 571 CG2 VAL A 37 2.718 -6.559 3.654 1.00 21.12 C ATOM 0 H VAL A 37 4.722 -4.603 3.770 1.00 12.22 H new ATOM 0 HA VAL A 37 3.027 -5.201 5.913 1.00 50.25 H new ATOM 0 HB VAL A 37 4.757 -6.988 4.161 1.00 30.23 H new ATOM 0 HG11 VAL A 37 3.348 -8.833 5.008 1.00 63.53 H new ATOM 0 HG12 VAL A 37 4.277 -8.073 6.323 1.00 63.53 H new ATOM 0 HG13 VAL A 37 2.546 -7.706 6.128 1.00 63.53 H new ATOM 0 HG21 VAL A 37 2.592 -7.471 3.070 1.00 21.12 H new ATOM 0 HG22 VAL A 37 1.785 -6.325 4.167 1.00 21.12 H new ATOM 0 HG23 VAL A 37 2.983 -5.736 2.990 1.00 21.12 H new ATOM 581 N ASP A 38 6.267 -5.734 6.253 1.00 52.15 N ATOM 582 CA ASP A 38 7.345 -5.951 7.212 1.00 74.02 C ATOM 583 C ASP A 38 7.357 -4.874 8.271 1.00 11.54 C ATOM 584 O ASP A 38 7.857 -5.088 9.368 1.00 41.01 O ATOM 585 CB ASP A 38 8.729 -6.026 6.540 1.00 1.01 C ATOM 586 CG ASP A 38 8.897 -7.194 5.588 1.00 65.24 C ATOM 587 OD1 ASP A 38 8.904 -8.353 6.041 1.00 21.32 O ATOM 588 OD2 ASP A 38 9.087 -6.974 4.392 1.00 1.22 O ATOM 0 H ASP A 38 6.586 -5.601 5.294 1.00 52.15 H new ATOM 0 HA ASP A 38 7.146 -6.916 7.678 1.00 74.02 H new ATOM 0 HB2 ASP A 38 8.906 -5.099 5.994 1.00 1.01 H new ATOM 0 HB3 ASP A 38 9.493 -6.091 7.315 1.00 1.01 H new ATOM 593 N ALA A 39 6.798 -3.714 7.944 1.00 65.20 N ATOM 594 CA ALA A 39 6.726 -2.626 8.901 1.00 64.22 C ATOM 595 C ALA A 39 5.749 -2.928 10.060 1.00 3.21 C ATOM 596 O ALA A 39 5.960 -2.469 11.185 1.00 43.32 O ATOM 597 CB ALA A 39 6.359 -1.323 8.208 1.00 70.51 C ATOM 0 H ALA A 39 6.393 -3.508 7.031 1.00 65.20 H new ATOM 0 HA ALA A 39 7.718 -2.519 9.341 1.00 64.22 H new ATOM 0 HB1 ALA A 39 6.310 -0.521 8.944 1.00 70.51 H new ATOM 0 HB2 ALA A 39 7.114 -1.084 7.460 1.00 70.51 H new ATOM 0 HB3 ALA A 39 5.389 -1.430 7.723 1.00 70.51 H new ATOM 603 N ALA A 40 4.703 -3.702 9.797 1.00 5.22 N ATOM 604 CA ALA A 40 3.690 -3.974 10.840 1.00 15.44 C ATOM 605 C ALA A 40 3.358 -5.468 10.988 1.00 5.51 C ATOM 606 O ALA A 40 2.602 -5.861 11.880 1.00 50.10 O ATOM 607 CB ALA A 40 2.425 -3.183 10.548 1.00 0.41 C ATOM 0 H ALA A 40 4.525 -4.148 8.897 1.00 5.22 H new ATOM 0 HA ALA A 40 4.121 -3.657 11.790 1.00 15.44 H new ATOM 0 HB1 ALA A 40 1.682 -3.387 11.319 1.00 0.41 H new ATOM 0 HB2 ALA A 40 2.656 -2.118 10.539 1.00 0.41 H new ATOM 0 HB3 ALA A 40 2.029 -3.476 9.576 1.00 0.41 H new ATOM 613 N GLY A 41 3.924 -6.274 10.129 1.00 61.10 N ATOM 614 CA GLY A 41 3.646 -7.694 10.091 1.00 11.03 C ATOM 615 C GLY A 41 2.210 -7.960 9.732 1.00 4.03 C ATOM 616 O GLY A 41 1.493 -8.665 10.449 1.00 71.31 O ATOM 0 H GLY A 41 4.598 -5.965 9.428 1.00 61.10 H new ATOM 0 HA2 GLY A 41 4.300 -8.175 9.364 1.00 11.03 H new ATOM 0 HA3 GLY A 41 3.868 -8.136 11.062 1.00 11.03 H new ATOM 620 N LEU A 42 1.783 -7.368 8.636 1.00 65.11 N ATOM 621 CA LEU A 42 0.443 -7.527 8.156 1.00 31.41 C ATOM 622 C LEU A 42 0.349 -8.964 7.627 1.00 42.24 C ATOM 623 O LEU A 42 1.141 -9.371 6.798 1.00 34.54 O ATOM 624 CB LEU A 42 0.215 -6.506 7.030 1.00 44.31 C ATOM 625 CG LEU A 42 -1.220 -6.032 6.782 1.00 45.01 C ATOM 626 CD1 LEU A 42 -2.172 -7.170 6.468 1.00 1.33 C ATOM 627 CD2 LEU A 42 -1.715 -5.199 7.951 1.00 53.24 C ATOM 0 H LEU A 42 2.365 -6.762 8.057 1.00 65.11 H new ATOM 0 HA LEU A 42 -0.310 -7.360 8.926 1.00 31.41 H new ATOM 0 HB2 LEU A 42 0.826 -5.629 7.243 1.00 44.31 H new ATOM 0 HB3 LEU A 42 0.591 -6.939 6.103 1.00 44.31 H new ATOM 0 HG LEU A 42 -1.199 -5.404 5.891 1.00 45.01 H new ATOM 0 HD11 LEU A 42 -3.173 -6.772 6.302 1.00 1.33 H new ATOM 0 HD12 LEU A 42 -1.835 -7.689 5.571 1.00 1.33 H new ATOM 0 HD13 LEU A 42 -2.193 -7.868 7.305 1.00 1.33 H new ATOM 0 HD21 LEU A 42 -2.736 -4.871 7.757 1.00 53.24 H new ATOM 0 HD22 LEU A 42 -1.693 -5.799 8.861 1.00 53.24 H new ATOM 0 HD23 LEU A 42 -1.071 -4.328 8.075 1.00 53.24 H new ATOM 639 N HIS A 43 -0.592 -9.712 8.099 1.00 34.35 N ATOM 640 CA HIS A 43 -0.622 -11.124 7.778 1.00 22.33 C ATOM 641 C HIS A 43 -1.074 -11.448 6.361 1.00 64.50 C ATOM 642 O HIS A 43 -0.515 -12.346 5.741 1.00 4.21 O ATOM 643 CB HIS A 43 -1.379 -11.933 8.828 1.00 5.34 C ATOM 644 CG HIS A 43 -0.711 -11.928 10.167 1.00 53.15 C ATOM 645 ND1 HIS A 43 -1.029 -11.041 11.165 1.00 51.33 N ATOM 646 CD2 HIS A 43 0.266 -12.714 10.669 1.00 70.21 C ATOM 647 CE1 HIS A 43 -0.281 -11.281 12.218 1.00 43.42 C ATOM 648 NE2 HIS A 43 0.511 -12.289 11.947 1.00 74.13 N ATOM 0 H HIS A 43 -1.348 -9.387 8.702 1.00 34.35 H new ATOM 0 HA HIS A 43 0.422 -11.438 7.807 1.00 22.33 H new ATOM 0 HB2 HIS A 43 -2.387 -11.531 8.930 1.00 5.34 H new ATOM 0 HB3 HIS A 43 -1.479 -12.962 8.482 1.00 5.34 H new ATOM 0 HD2 HIS A 43 0.761 -13.526 10.158 1.00 70.21 H new ATOM 0 HE1 HIS A 43 -0.313 -10.738 13.151 1.00 43.42 H new ATOM 0 HE2 HIS A 43 1.198 -12.691 12.584 1.00 74.13 H new ATOM 657 N SER A 44 -2.042 -10.719 5.832 1.00 50.11 N ATOM 658 CA SER A 44 -2.558 -11.039 4.500 1.00 74.12 C ATOM 659 C SER A 44 -3.189 -9.832 3.821 1.00 13.05 C ATOM 660 O SER A 44 -3.920 -9.051 4.451 1.00 71.22 O ATOM 661 CB SER A 44 -3.616 -12.147 4.574 1.00 2.24 C ATOM 662 OG SER A 44 -3.123 -13.342 5.205 1.00 42.14 O ATOM 0 H SER A 44 -2.482 -9.919 6.287 1.00 50.11 H new ATOM 0 HA SER A 44 -1.699 -11.369 3.915 1.00 74.12 H new ATOM 0 HB2 SER A 44 -4.482 -11.781 5.125 1.00 2.24 H new ATOM 0 HB3 SER A 44 -3.957 -12.387 3.567 1.00 2.24 H new ATOM 0 HG SER A 44 -3.834 -14.016 5.229 1.00 42.14 H new ATOM 668 N LEU A 45 -2.914 -9.694 2.554 1.00 30.32 N ATOM 669 CA LEU A 45 -3.518 -8.666 1.729 1.00 32.12 C ATOM 670 C LEU A 45 -4.254 -9.323 0.582 1.00 10.21 C ATOM 671 O LEU A 45 -3.871 -10.411 0.114 1.00 61.42 O ATOM 672 CB LEU A 45 -2.476 -7.691 1.145 1.00 74.14 C ATOM 673 CG LEU A 45 -1.596 -6.934 2.138 1.00 0.13 C ATOM 674 CD1 LEU A 45 -0.554 -6.120 1.393 1.00 44.54 C ATOM 675 CD2 LEU A 45 -2.444 -6.018 3.010 1.00 11.30 C ATOM 0 H LEU A 45 -2.259 -10.294 2.053 1.00 30.32 H new ATOM 0 HA LEU A 45 -4.195 -8.095 2.364 1.00 32.12 H new ATOM 0 HB2 LEU A 45 -1.824 -8.253 0.476 1.00 74.14 H new ATOM 0 HB3 LEU A 45 -3.004 -6.958 0.534 1.00 74.14 H new ATOM 0 HG LEU A 45 -1.093 -7.658 2.779 1.00 0.13 H new ATOM 0 HD11 LEU A 45 0.069 -5.584 2.109 1.00 44.54 H new ATOM 0 HD12 LEU A 45 0.070 -6.786 0.797 1.00 44.54 H new ATOM 0 HD13 LEU A 45 -1.051 -5.405 0.738 1.00 44.54 H new ATOM 0 HD21 LEU A 45 -1.801 -5.486 3.712 1.00 11.30 H new ATOM 0 HD22 LEU A 45 -2.967 -5.298 2.380 1.00 11.30 H new ATOM 0 HD23 LEU A 45 -3.171 -6.613 3.563 1.00 11.30 H new ATOM 687 N GLU A 46 -5.292 -8.685 0.152 1.00 23.35 N ATOM 688 CA GLU A 46 -6.082 -9.097 -0.977 1.00 51.34 C ATOM 689 C GLU A 46 -6.694 -7.844 -1.551 1.00 2.34 C ATOM 690 O GLU A 46 -6.607 -6.786 -0.921 1.00 21.55 O ATOM 691 CB GLU A 46 -7.180 -10.110 -0.570 1.00 22.02 C ATOM 692 CG GLU A 46 -8.142 -9.597 0.489 1.00 64.31 C ATOM 693 CD GLU A 46 -9.248 -10.567 0.811 1.00 13.43 C ATOM 694 OE1 GLU A 46 -9.057 -11.448 1.678 1.00 62.13 O ATOM 695 OE2 GLU A 46 -10.328 -10.461 0.213 1.00 15.30 O ATOM 0 H GLU A 46 -5.632 -7.829 0.590 1.00 23.35 H new ATOM 0 HA GLU A 46 -5.459 -9.607 -1.712 1.00 51.34 H new ATOM 0 HB2 GLU A 46 -7.749 -10.387 -1.457 1.00 22.02 H new ATOM 0 HB3 GLU A 46 -6.702 -11.018 -0.201 1.00 22.02 H new ATOM 0 HG2 GLU A 46 -7.585 -9.377 1.400 1.00 64.31 H new ATOM 0 HG3 GLU A 46 -8.579 -8.659 0.148 1.00 64.31 H new ATOM 702 N GLU A 47 -7.286 -7.929 -2.702 1.00 23.24 N ATOM 703 CA GLU A 47 -7.891 -6.767 -3.303 1.00 61.33 C ATOM 704 C GLU A 47 -9.195 -6.424 -2.623 1.00 14.32 C ATOM 705 O GLU A 47 -9.838 -7.286 -2.014 1.00 71.44 O ATOM 706 CB GLU A 47 -8.096 -6.907 -4.818 1.00 64.22 C ATOM 707 CG GLU A 47 -8.986 -8.054 -5.270 1.00 71.52 C ATOM 708 CD GLU A 47 -8.378 -9.408 -5.032 1.00 62.33 C ATOM 709 OE1 GLU A 47 -7.562 -9.849 -5.850 1.00 2.24 O ATOM 710 OE2 GLU A 47 -8.699 -10.047 -4.016 1.00 42.25 O ATOM 0 H GLU A 47 -7.367 -8.787 -3.248 1.00 23.24 H new ATOM 0 HA GLU A 47 -7.186 -5.949 -3.157 1.00 61.33 H new ATOM 0 HB2 GLU A 47 -8.519 -5.976 -5.194 1.00 64.22 H new ATOM 0 HB3 GLU A 47 -7.119 -7.026 -5.287 1.00 64.22 H new ATOM 0 HG2 GLU A 47 -9.939 -7.994 -4.745 1.00 71.52 H new ATOM 0 HG3 GLU A 47 -9.200 -7.941 -6.333 1.00 71.52 H new ATOM 717 N GLY A 48 -9.574 -5.178 -2.710 1.00 11.30 N ATOM 718 CA GLY A 48 -10.817 -4.735 -2.114 1.00 11.33 C ATOM 719 C GLY A 48 -10.684 -4.400 -0.638 1.00 2.02 C ATOM 720 O GLY A 48 -11.659 -4.029 0.009 1.00 33.12 O ATOM 0 H GLY A 48 -9.045 -4.448 -3.186 1.00 11.30 H new ATOM 0 HA2 GLY A 48 -11.177 -3.856 -2.649 1.00 11.33 H new ATOM 0 HA3 GLY A 48 -11.570 -5.513 -2.237 1.00 11.33 H new ATOM 724 N GLN A 49 -9.485 -4.527 -0.115 1.00 1.04 N ATOM 725 CA GLN A 49 -9.211 -4.251 1.280 1.00 63.01 C ATOM 726 C GLN A 49 -8.917 -2.809 1.514 1.00 13.02 C ATOM 727 O GLN A 49 -7.978 -2.277 0.940 1.00 74.25 O ATOM 728 CB GLN A 49 -7.998 -5.035 1.727 1.00 63.40 C ATOM 729 CG GLN A 49 -8.202 -6.509 1.873 1.00 62.42 C ATOM 730 CD GLN A 49 -8.802 -6.937 3.203 1.00 55.11 C ATOM 731 OE1 GLN A 49 -8.505 -8.022 3.688 1.00 13.14 O ATOM 732 NE2 GLN A 49 -9.633 -6.132 3.794 1.00 15.32 N ATOM 0 H GLN A 49 -8.668 -4.826 -0.647 1.00 1.04 H new ATOM 0 HA GLN A 49 -10.101 -4.535 1.841 1.00 63.01 H new ATOM 0 HB2 GLN A 49 -7.194 -4.866 1.011 1.00 63.40 H new ATOM 0 HB3 GLN A 49 -7.661 -4.636 2.684 1.00 63.40 H new ATOM 0 HG2 GLN A 49 -8.852 -6.854 1.069 1.00 62.42 H new ATOM 0 HG3 GLN A 49 -7.242 -7.010 1.744 1.00 62.42 H new ATOM 0 HE21 GLN A 49 -9.863 -5.234 3.368 1.00 15.32 H new ATOM 0 HE22 GLN A 49 -10.055 -6.398 4.684 1.00 15.32 H new ATOM 741 N ASP A 50 -9.694 -2.176 2.348 1.00 41.44 N ATOM 742 CA ASP A 50 -9.348 -0.822 2.767 1.00 73.23 C ATOM 743 C ASP A 50 -8.169 -0.905 3.683 1.00 71.43 C ATOM 744 O ASP A 50 -8.168 -1.676 4.675 1.00 41.02 O ATOM 745 CB ASP A 50 -10.486 -0.047 3.449 1.00 44.40 C ATOM 746 CG ASP A 50 -11.612 0.349 2.525 1.00 52.35 C ATOM 747 OD1 ASP A 50 -11.479 1.362 1.803 1.00 32.13 O ATOM 748 OD2 ASP A 50 -12.661 -0.319 2.531 1.00 74.42 O ATOM 0 H ASP A 50 -10.553 -2.553 2.750 1.00 41.44 H new ATOM 0 HA ASP A 50 -9.125 -0.258 1.861 1.00 73.23 H new ATOM 0 HB2 ASP A 50 -10.892 -0.657 4.256 1.00 44.40 H new ATOM 0 HB3 ASP A 50 -10.074 0.853 3.906 1.00 44.40 H new ATOM 753 N VAL A 51 -7.177 -0.157 3.373 1.00 41.22 N ATOM 754 CA VAL A 51 -5.959 -0.213 4.061 1.00 51.22 C ATOM 755 C VAL A 51 -5.431 1.190 4.336 1.00 60.35 C ATOM 756 O VAL A 51 -5.654 2.130 3.576 1.00 53.02 O ATOM 757 CB VAL A 51 -4.925 -1.070 3.282 1.00 33.33 C ATOM 758 CG1 VAL A 51 -4.554 -0.458 1.916 1.00 70.45 C ATOM 759 CG2 VAL A 51 -3.710 -1.376 4.132 1.00 5.02 C ATOM 0 H VAL A 51 -7.198 0.525 2.615 1.00 41.22 H new ATOM 0 HA VAL A 51 -6.128 -0.697 5.023 1.00 51.22 H new ATOM 0 HB VAL A 51 -5.406 -2.022 3.056 1.00 33.33 H new ATOM 0 HG11 VAL A 51 -3.828 -1.099 1.415 1.00 70.45 H new ATOM 0 HG12 VAL A 51 -5.449 -0.374 1.300 1.00 70.45 H new ATOM 0 HG13 VAL A 51 -4.122 0.531 2.066 1.00 70.45 H new ATOM 0 HG21 VAL A 51 -3.006 -1.977 3.557 1.00 5.02 H new ATOM 0 HG22 VAL A 51 -3.231 -0.444 4.431 1.00 5.02 H new ATOM 0 HG23 VAL A 51 -4.017 -1.928 5.021 1.00 5.02 H new ATOM 769 N ILE A 52 -4.773 1.303 5.417 1.00 75.02 N ATOM 770 CA ILE A 52 -4.213 2.533 5.885 1.00 24.23 C ATOM 771 C ILE A 52 -2.710 2.385 5.818 1.00 34.51 C ATOM 772 O ILE A 52 -2.183 1.339 6.192 1.00 61.42 O ATOM 773 CB ILE A 52 -4.645 2.778 7.356 1.00 65.21 C ATOM 774 CG1 ILE A 52 -6.179 2.766 7.470 1.00 0.01 C ATOM 775 CG2 ILE A 52 -4.074 4.095 7.888 1.00 51.44 C ATOM 776 CD1 ILE A 52 -6.699 2.819 8.892 1.00 75.20 C ATOM 0 H ILE A 52 -4.593 0.515 6.039 1.00 75.02 H new ATOM 0 HA ILE A 52 -4.554 3.373 5.280 1.00 24.23 H new ATOM 0 HB ILE A 52 -4.243 1.970 7.967 1.00 65.21 H new ATOM 0 HG12 ILE A 52 -6.579 3.616 6.917 1.00 0.01 H new ATOM 0 HG13 ILE A 52 -6.560 1.865 6.989 1.00 0.01 H new ATOM 0 HG21 ILE A 52 -4.393 4.239 8.920 1.00 51.44 H new ATOM 0 HG22 ILE A 52 -2.985 4.063 7.846 1.00 51.44 H new ATOM 0 HG23 ILE A 52 -4.436 4.922 7.277 1.00 51.44 H new ATOM 0 HD11 ILE A 52 -7.789 2.807 8.882 1.00 75.20 H new ATOM 0 HD12 ILE A 52 -6.332 1.955 9.446 1.00 75.20 H new ATOM 0 HD13 ILE A 52 -6.351 3.733 9.373 1.00 75.20 H new ATOM 788 N PHE A 53 -2.033 3.379 5.321 1.00 72.12 N ATOM 789 CA PHE A 53 -0.588 3.313 5.195 1.00 12.04 C ATOM 790 C PHE A 53 0.014 4.682 5.310 1.00 2.03 C ATOM 791 O PHE A 53 -0.710 5.665 5.475 1.00 42.11 O ATOM 792 CB PHE A 53 -0.196 2.695 3.836 1.00 13.21 C ATOM 793 CG PHE A 53 -0.787 3.398 2.643 1.00 53.41 C ATOM 794 CD1 PHE A 53 -2.049 3.067 2.191 1.00 32.52 C ATOM 795 CD2 PHE A 53 -0.078 4.379 1.971 1.00 63.15 C ATOM 796 CE1 PHE A 53 -2.590 3.694 1.101 1.00 13.44 C ATOM 797 CE2 PHE A 53 -0.617 5.012 0.880 1.00 44.50 C ATOM 798 CZ PHE A 53 -1.875 4.669 0.443 1.00 2.12 C ATOM 0 H PHE A 53 -2.450 4.250 4.993 1.00 72.12 H new ATOM 0 HA PHE A 53 -0.206 2.686 6.001 1.00 12.04 H new ATOM 0 HB2 PHE A 53 0.890 2.703 3.746 1.00 13.21 H new ATOM 0 HB3 PHE A 53 -0.510 1.651 3.820 1.00 13.21 H new ATOM 0 HD1 PHE A 53 -2.616 2.304 2.704 1.00 32.52 H new ATOM 0 HD2 PHE A 53 0.911 4.649 2.310 1.00 63.15 H new ATOM 0 HE1 PHE A 53 -3.578 3.424 0.757 1.00 13.44 H new ATOM 0 HE2 PHE A 53 -0.055 5.778 0.366 1.00 44.50 H new ATOM 0 HZ PHE A 53 -2.302 5.165 -0.416 1.00 2.12 H new ATOM 808 N ASP A 54 1.319 4.747 5.226 1.00 73.35 N ATOM 809 CA ASP A 54 2.017 5.996 5.196 1.00 1.01 C ATOM 810 C ASP A 54 2.663 6.078 3.842 1.00 5.24 C ATOM 811 O ASP A 54 2.931 5.038 3.219 1.00 25.40 O ATOM 812 CB ASP A 54 3.104 6.099 6.282 1.00 2.43 C ATOM 813 CG ASP A 54 2.612 5.905 7.706 1.00 53.04 C ATOM 814 OD1 ASP A 54 1.482 6.345 8.052 1.00 4.53 O ATOM 815 OD2 ASP A 54 3.360 5.298 8.506 1.00 5.32 O ATOM 0 H ASP A 54 1.925 3.928 5.177 1.00 73.35 H new ATOM 0 HA ASP A 54 1.316 6.809 5.385 1.00 1.01 H new ATOM 0 HB2 ASP A 54 3.874 5.355 6.075 1.00 2.43 H new ATOM 0 HB3 ASP A 54 3.578 7.078 6.208 1.00 2.43 H new ATOM 820 N LEU A 55 2.912 7.258 3.367 1.00 1.31 N ATOM 821 CA LEU A 55 3.466 7.413 2.044 1.00 75.21 C ATOM 822 C LEU A 55 4.504 8.507 1.970 1.00 2.41 C ATOM 823 O LEU A 55 4.351 9.593 2.542 1.00 11.03 O ATOM 824 CB LEU A 55 2.340 7.646 1.022 1.00 21.01 C ATOM 825 CG LEU A 55 2.722 7.984 -0.426 1.00 32.25 C ATOM 826 CD1 LEU A 55 3.628 6.934 -1.000 1.00 63.33 C ATOM 827 CD2 LEU A 55 1.464 8.110 -1.283 1.00 13.25 C ATOM 0 H LEU A 55 2.744 8.130 3.868 1.00 1.31 H new ATOM 0 HA LEU A 55 3.983 6.485 1.798 1.00 75.21 H new ATOM 0 HB2 LEU A 55 1.721 6.749 1.001 1.00 21.01 H new ATOM 0 HB3 LEU A 55 1.714 8.456 1.397 1.00 21.01 H new ATOM 0 HG LEU A 55 3.255 8.935 -0.426 1.00 32.25 H new ATOM 0 HD11 LEU A 55 3.884 7.196 -2.026 1.00 63.33 H new ATOM 0 HD12 LEU A 55 4.538 6.873 -0.403 1.00 63.33 H new ATOM 0 HD13 LEU A 55 3.121 5.969 -0.988 1.00 63.33 H new ATOM 0 HD21 LEU A 55 1.745 8.350 -2.308 1.00 13.25 H new ATOM 0 HD22 LEU A 55 0.917 7.167 -1.268 1.00 13.25 H new ATOM 0 HD23 LEU A 55 0.831 8.903 -0.885 1.00 13.25 H new ATOM 839 N GLU A 56 5.556 8.193 1.288 1.00 74.23 N ATOM 840 CA GLU A 56 6.613 9.100 0.999 1.00 23.02 C ATOM 841 C GLU A 56 6.887 8.972 -0.489 1.00 41.23 C ATOM 842 O GLU A 56 6.978 7.848 -1.011 1.00 25.11 O ATOM 843 CB GLU A 56 7.869 8.750 1.819 1.00 35.15 C ATOM 844 CG GLU A 56 9.021 9.736 1.652 1.00 35.53 C ATOM 845 CD GLU A 56 8.648 11.134 2.092 1.00 62.04 C ATOM 846 OE1 GLU A 56 8.071 11.878 1.288 1.00 35.14 O ATOM 847 OE2 GLU A 56 8.912 11.500 3.259 1.00 64.14 O ATOM 0 H GLU A 56 5.707 7.261 0.903 1.00 74.23 H new ATOM 0 HA GLU A 56 6.341 10.122 1.262 1.00 23.02 H new ATOM 0 HB2 GLU A 56 7.598 8.700 2.874 1.00 35.15 H new ATOM 0 HB3 GLU A 56 8.212 7.756 1.531 1.00 35.15 H new ATOM 0 HG2 GLU A 56 9.878 9.392 2.231 1.00 35.53 H new ATOM 0 HG3 GLU A 56 9.330 9.757 0.607 1.00 35.53 H new ATOM 854 N GLU A 57 6.986 10.080 -1.172 1.00 24.25 N ATOM 855 CA GLU A 57 7.189 10.047 -2.592 1.00 65.45 C ATOM 856 C GLU A 57 8.659 9.904 -2.928 1.00 70.12 C ATOM 857 O GLU A 57 9.489 10.772 -2.617 1.00 21.52 O ATOM 858 CB GLU A 57 6.546 11.255 -3.287 1.00 33.21 C ATOM 859 CG GLU A 57 5.026 11.296 -3.132 1.00 40.30 C ATOM 860 CD GLU A 57 4.380 12.476 -3.820 1.00 21.22 C ATOM 861 OE1 GLU A 57 4.276 13.552 -3.190 1.00 60.31 O ATOM 862 OE2 GLU A 57 3.952 12.338 -4.997 1.00 2.35 O ATOM 0 H GLU A 57 6.929 11.015 -0.768 1.00 24.25 H new ATOM 0 HA GLU A 57 6.683 9.164 -2.981 1.00 65.45 H new ATOM 0 HB2 GLU A 57 6.972 12.171 -2.878 1.00 33.21 H new ATOM 0 HB3 GLU A 57 6.797 11.233 -4.348 1.00 33.21 H new ATOM 0 HG2 GLU A 57 4.603 10.375 -3.534 1.00 40.30 H new ATOM 0 HG3 GLU A 57 4.778 11.324 -2.071 1.00 40.30 H new ATOM 869 N LYS A 58 8.960 8.794 -3.555 1.00 14.23 N ATOM 870 CA LYS A 58 10.284 8.415 -3.938 1.00 30.52 C ATOM 871 C LYS A 58 10.667 9.118 -5.233 1.00 65.43 C ATOM 872 O LYS A 58 10.518 8.561 -6.326 1.00 75.01 O ATOM 873 CB LYS A 58 10.345 6.874 -4.090 1.00 65.05 C ATOM 874 CG LYS A 58 11.702 6.305 -4.486 1.00 53.04 C ATOM 875 CD LYS A 58 11.689 4.764 -4.536 1.00 63.54 C ATOM 876 CE LYS A 58 10.759 4.210 -5.621 1.00 4.44 C ATOM 877 NZ LYS A 58 10.767 2.721 -5.658 1.00 5.42 N ATOM 0 H LYS A 58 8.255 8.106 -3.820 1.00 14.23 H new ATOM 0 HA LYS A 58 10.999 8.716 -3.172 1.00 30.52 H new ATOM 0 HB2 LYS A 58 10.043 6.421 -3.146 1.00 65.05 H new ATOM 0 HB3 LYS A 58 9.612 6.571 -4.838 1.00 65.05 H new ATOM 0 HG2 LYS A 58 11.989 6.697 -5.462 1.00 53.04 H new ATOM 0 HG3 LYS A 58 12.457 6.638 -3.774 1.00 53.04 H new ATOM 0 HD2 LYS A 58 12.702 4.403 -4.714 1.00 63.54 H new ATOM 0 HD3 LYS A 58 11.378 4.377 -3.566 1.00 63.54 H new ATOM 0 HE2 LYS A 58 9.743 4.562 -5.442 1.00 4.44 H new ATOM 0 HE3 LYS A 58 11.064 4.598 -6.593 1.00 4.44 H new ATOM 0 HZ1 LYS A 58 10.125 2.389 -6.406 1.00 5.42 H new ATOM 0 HZ2 LYS A 58 11.731 2.384 -5.855 1.00 5.42 H new ATOM 0 HZ3 LYS A 58 10.451 2.349 -4.740 1.00 5.42 H new ATOM 891 N GLN A 59 11.047 10.390 -5.101 1.00 23.31 N ATOM 892 CA GLN A 59 11.479 11.246 -6.226 1.00 61.32 C ATOM 893 C GLN A 59 10.403 11.361 -7.322 1.00 64.42 C ATOM 894 O GLN A 59 10.695 11.737 -8.456 1.00 40.45 O ATOM 895 CB GLN A 59 12.807 10.750 -6.817 1.00 23.14 C ATOM 896 CG GLN A 59 13.970 10.784 -5.834 1.00 63.12 C ATOM 897 CD GLN A 59 15.280 10.377 -6.469 1.00 33.31 C ATOM 898 OE1 GLN A 59 16.011 11.212 -6.999 1.00 64.51 O ATOM 899 NE2 GLN A 59 15.593 9.113 -6.429 1.00 1.41 N ATOM 0 H GLN A 59 11.066 10.869 -4.200 1.00 23.31 H new ATOM 0 HA GLN A 59 11.632 12.246 -5.821 1.00 61.32 H new ATOM 0 HB2 GLN A 59 12.676 9.729 -7.174 1.00 23.14 H new ATOM 0 HB3 GLN A 59 13.059 11.361 -7.684 1.00 23.14 H new ATOM 0 HG2 GLN A 59 14.066 11.790 -5.425 1.00 63.12 H new ATOM 0 HG3 GLN A 59 13.754 10.119 -4.998 1.00 63.12 H new ATOM 0 HE21 GLN A 59 14.964 8.446 -5.982 1.00 1.41 H new ATOM 0 HE22 GLN A 59 16.467 8.791 -6.845 1.00 1.41 H new ATOM 908 N GLY A 60 9.166 11.080 -6.965 1.00 41.11 N ATOM 909 CA GLY A 60 8.089 11.133 -7.921 1.00 72.05 C ATOM 910 C GLY A 60 7.258 9.878 -7.883 1.00 30.24 C ATOM 911 O GLY A 60 6.055 9.904 -8.156 1.00 23.25 O ATOM 0 H GLY A 60 8.886 10.814 -6.021 1.00 41.11 H new ATOM 0 HA2 GLY A 60 7.457 11.996 -7.712 1.00 72.05 H new ATOM 0 HA3 GLY A 60 8.496 11.271 -8.923 1.00 72.05 H new ATOM 915 N LYS A 61 7.895 8.780 -7.539 1.00 73.21 N ATOM 916 CA LYS A 61 7.233 7.505 -7.441 1.00 14.32 C ATOM 917 C LYS A 61 6.589 7.427 -6.043 1.00 72.52 C ATOM 918 O LYS A 61 6.943 8.198 -5.175 1.00 23.41 O ATOM 919 CB LYS A 61 8.286 6.404 -7.613 1.00 62.55 C ATOM 920 CG LYS A 61 7.765 4.989 -7.811 1.00 21.31 C ATOM 921 CD LYS A 61 7.338 4.683 -9.262 1.00 75.54 C ATOM 922 CE LYS A 61 6.192 5.533 -9.775 1.00 54.42 C ATOM 923 NZ LYS A 61 5.724 5.086 -11.101 1.00 34.00 N ATOM 0 H LYS A 61 8.891 8.750 -7.319 1.00 73.21 H new ATOM 0 HA LYS A 61 6.466 7.382 -8.206 1.00 14.32 H new ATOM 0 HB2 LYS A 61 8.910 6.660 -8.469 1.00 62.55 H new ATOM 0 HB3 LYS A 61 8.932 6.410 -6.735 1.00 62.55 H new ATOM 0 HG2 LYS A 61 8.538 4.281 -7.512 1.00 21.31 H new ATOM 0 HG3 LYS A 61 6.914 4.829 -7.150 1.00 21.31 H new ATOM 0 HD2 LYS A 61 8.198 4.822 -9.917 1.00 75.54 H new ATOM 0 HD3 LYS A 61 7.053 3.633 -9.329 1.00 75.54 H new ATOM 0 HE2 LYS A 61 5.365 5.493 -9.066 1.00 54.42 H new ATOM 0 HE3 LYS A 61 6.511 6.574 -9.835 1.00 54.42 H new ATOM 0 HZ1 LYS A 61 4.940 5.693 -11.415 1.00 34.00 H new ATOM 0 HZ2 LYS A 61 6.506 5.148 -11.784 1.00 34.00 H new ATOM 0 HZ3 LYS A 61 5.396 4.101 -11.039 1.00 34.00 H new ATOM 937 N ALA A 62 5.681 6.521 -5.824 1.00 73.42 N ATOM 938 CA ALA A 62 5.000 6.455 -4.546 1.00 53.55 C ATOM 939 C ALA A 62 4.850 5.017 -4.090 1.00 1.32 C ATOM 940 O ALA A 62 4.371 4.172 -4.842 1.00 11.41 O ATOM 941 CB ALA A 62 3.632 7.125 -4.658 1.00 24.11 C ATOM 0 H ALA A 62 5.390 5.818 -6.503 1.00 73.42 H new ATOM 0 HA ALA A 62 5.597 6.983 -3.802 1.00 53.55 H new ATOM 0 HB1 ALA A 62 3.122 7.074 -3.696 1.00 24.11 H new ATOM 0 HB2 ALA A 62 3.760 8.168 -4.946 1.00 24.11 H new ATOM 0 HB3 ALA A 62 3.036 6.611 -5.412 1.00 24.11 H new ATOM 947 N TYR A 63 5.252 4.740 -2.864 1.00 13.43 N ATOM 948 CA TYR A 63 5.123 3.409 -2.319 1.00 53.45 C ATOM 949 C TYR A 63 4.553 3.445 -0.918 1.00 21.14 C ATOM 950 O TYR A 63 4.963 4.251 -0.075 1.00 44.14 O ATOM 951 CB TYR A 63 6.437 2.637 -2.360 1.00 43.50 C ATOM 952 CG TYR A 63 7.562 3.204 -1.521 1.00 12.22 C ATOM 953 CD1 TYR A 63 8.169 4.417 -1.832 1.00 55.02 C ATOM 954 CD2 TYR A 63 8.017 2.513 -0.418 1.00 60.23 C ATOM 955 CE1 TYR A 63 9.193 4.910 -1.054 1.00 41.22 C ATOM 956 CE2 TYR A 63 9.036 3.001 0.356 1.00 5.33 C ATOM 957 CZ TYR A 63 9.618 4.196 0.037 1.00 31.12 C ATOM 958 OH TYR A 63 10.637 4.675 0.813 1.00 34.32 O ATOM 0 H TYR A 63 5.670 5.421 -2.230 1.00 13.43 H new ATOM 0 HA TYR A 63 4.421 2.872 -2.957 1.00 53.45 H new ATOM 0 HB2 TYR A 63 6.246 1.615 -2.034 1.00 43.50 H new ATOM 0 HB3 TYR A 63 6.773 2.584 -3.396 1.00 43.50 H new ATOM 0 HD1 TYR A 63 7.834 4.977 -2.692 1.00 55.02 H new ATOM 0 HD2 TYR A 63 7.561 1.569 -0.159 1.00 60.23 H new ATOM 0 HE1 TYR A 63 9.658 5.853 -1.301 1.00 41.22 H new ATOM 0 HE2 TYR A 63 9.379 2.444 1.215 1.00 5.33 H new ATOM 0 HH TYR A 63 10.813 4.048 1.545 1.00 34.32 H new ATOM 968 N ALA A 64 3.609 2.591 -0.701 1.00 53.12 N ATOM 969 CA ALA A 64 2.908 2.480 0.557 1.00 41.41 C ATOM 970 C ALA A 64 3.732 1.707 1.546 1.00 2.24 C ATOM 971 O ALA A 64 4.299 0.650 1.221 1.00 44.23 O ATOM 972 CB ALA A 64 1.559 1.806 0.340 1.00 43.13 C ATOM 0 H ALA A 64 3.287 1.928 -1.406 1.00 53.12 H new ATOM 0 HA ALA A 64 2.739 3.479 0.959 1.00 41.41 H new ATOM 0 HB1 ALA A 64 1.035 1.725 1.292 1.00 43.13 H new ATOM 0 HB2 ALA A 64 0.963 2.400 -0.353 1.00 43.13 H new ATOM 0 HB3 ALA A 64 1.713 0.810 -0.075 1.00 43.13 H new ATOM 978 N VAL A 65 3.814 2.244 2.736 1.00 60.31 N ATOM 979 CA VAL A 65 4.546 1.646 3.837 1.00 12.20 C ATOM 980 C VAL A 65 3.711 1.720 5.088 1.00 52.54 C ATOM 981 O VAL A 65 2.773 2.493 5.132 1.00 4.20 O ATOM 982 CB VAL A 65 5.933 2.318 4.092 1.00 44.22 C ATOM 983 CG1 VAL A 65 6.874 2.084 2.934 1.00 74.51 C ATOM 984 CG2 VAL A 65 5.783 3.810 4.356 1.00 60.22 C ATOM 0 H VAL A 65 3.366 3.128 2.978 1.00 60.31 H new ATOM 0 HA VAL A 65 4.745 0.610 3.564 1.00 12.20 H new ATOM 0 HB VAL A 65 6.360 1.854 4.981 1.00 44.22 H new ATOM 0 HG11 VAL A 65 7.831 2.563 3.140 1.00 74.51 H new ATOM 0 HG12 VAL A 65 7.026 1.013 2.799 1.00 74.51 H new ATOM 0 HG13 VAL A 65 6.445 2.506 2.025 1.00 74.51 H new ATOM 0 HG21 VAL A 65 6.765 4.249 4.530 1.00 60.22 H new ATOM 0 HG22 VAL A 65 5.320 4.287 3.493 1.00 60.22 H new ATOM 0 HG23 VAL A 65 5.157 3.963 5.235 1.00 60.22 H new ATOM 994 N ASN A 66 4.050 0.906 6.088 1.00 2.43 N ATOM 995 CA ASN A 66 3.337 0.903 7.381 1.00 61.23 C ATOM 996 C ASN A 66 1.865 0.571 7.186 1.00 64.24 C ATOM 997 O ASN A 66 0.994 1.432 7.334 1.00 61.44 O ATOM 998 CB ASN A 66 3.489 2.237 8.119 1.00 32.41 C ATOM 999 CG ASN A 66 2.973 2.210 9.564 1.00 61.14 C ATOM 1000 OD1 ASN A 66 3.716 1.889 10.497 1.00 13.31 O ATOM 1001 ND2 ASN A 66 1.727 2.554 9.758 1.00 4.01 N ATOM 0 H ASN A 66 4.816 0.235 6.034 1.00 2.43 H new ATOM 0 HA ASN A 66 3.793 0.129 7.998 1.00 61.23 H new ATOM 0 HB2 ASN A 66 4.542 2.520 8.125 1.00 32.41 H new ATOM 0 HB3 ASN A 66 2.954 3.010 7.567 1.00 32.41 H new ATOM 0 HD21 ASN A 66 1.341 2.563 10.702 1.00 4.01 H new ATOM 0 HD22 ASN A 66 1.140 2.814 8.965 1.00 4.01 H new ATOM 1008 N LEU A 67 1.587 -0.624 6.741 1.00 32.33 N ATOM 1009 CA LEU A 67 0.217 -0.970 6.486 1.00 1.15 C ATOM 1010 C LEU A 67 -0.528 -1.292 7.746 1.00 23.24 C ATOM 1011 O LEU A 67 -0.008 -1.937 8.654 1.00 71.32 O ATOM 1012 CB LEU A 67 0.059 -2.119 5.508 1.00 13.04 C ATOM 1013 CG LEU A 67 0.657 -1.951 4.123 1.00 50.22 C ATOM 1014 CD1 LEU A 67 0.143 -3.021 3.245 1.00 53.35 C ATOM 1015 CD2 LEU A 67 0.349 -0.601 3.530 1.00 15.52 C ATOM 0 H LEU A 67 2.271 -1.357 6.552 1.00 32.33 H new ATOM 0 HA LEU A 67 -0.213 -0.078 6.030 1.00 1.15 H new ATOM 0 HB2 LEU A 67 0.501 -3.007 5.959 1.00 13.04 H new ATOM 0 HB3 LEU A 67 -1.007 -2.317 5.392 1.00 13.04 H new ATOM 0 HG LEU A 67 1.741 -2.021 4.210 1.00 50.22 H new ATOM 0 HD11 LEU A 67 0.567 -2.908 2.247 1.00 53.35 H new ATOM 0 HD12 LEU A 67 0.425 -3.992 3.652 1.00 53.35 H new ATOM 0 HD13 LEU A 67 -0.943 -2.954 3.187 1.00 53.35 H new ATOM 0 HD21 LEU A 67 0.798 -0.528 2.539 1.00 15.52 H new ATOM 0 HD22 LEU A 67 -0.731 -0.477 3.449 1.00 15.52 H new ATOM 0 HD23 LEU A 67 0.757 0.180 4.172 1.00 15.52 H new ATOM 1027 N ARG A 68 -1.728 -0.838 7.787 1.00 65.23 N ATOM 1028 CA ARG A 68 -2.637 -1.110 8.850 1.00 21.44 C ATOM 1029 C ARG A 68 -3.954 -1.392 8.148 1.00 22.20 C ATOM 1030 O ARG A 68 -4.351 -0.624 7.281 1.00 43.13 O ATOM 1031 CB ARG A 68 -2.802 0.155 9.721 1.00 60.35 C ATOM 1032 CG ARG A 68 -3.444 -0.077 11.064 1.00 51.43 C ATOM 1033 CD ARG A 68 -2.435 -0.685 12.017 1.00 61.52 C ATOM 1034 NE ARG A 68 -1.334 0.264 12.308 1.00 25.12 N ATOM 1035 CZ ARG A 68 -0.074 -0.064 12.639 1.00 32.34 C ATOM 1036 NH1 ARG A 68 0.298 -1.337 12.701 1.00 33.02 N ATOM 1037 NH2 ARG A 68 0.810 0.901 12.904 1.00 42.44 N ATOM 0 H ARG A 68 -2.122 -0.245 7.057 1.00 65.23 H new ATOM 0 HA ARG A 68 -2.304 -1.928 9.489 1.00 21.44 H new ATOM 0 HB2 ARG A 68 -1.820 0.601 9.877 1.00 60.35 H new ATOM 0 HB3 ARG A 68 -3.399 0.882 9.170 1.00 60.35 H new ATOM 0 HG2 ARG A 68 -3.817 0.865 11.467 1.00 51.43 H new ATOM 0 HG3 ARG A 68 -4.303 -0.740 10.957 1.00 51.43 H new ATOM 0 HD2 ARG A 68 -2.931 -0.966 12.946 1.00 61.52 H new ATOM 0 HD3 ARG A 68 -2.027 -1.598 11.585 1.00 61.52 H new ATOM 0 HE ARG A 68 -1.554 1.259 12.252 1.00 25.12 H new ATOM 0 HH11 ARG A 68 -0.375 -2.076 12.496 1.00 33.02 H new ATOM 0 HH12 ARG A 68 1.257 -1.576 12.953 1.00 33.02 H new ATOM 0 HH21 ARG A 68 0.527 1.880 12.854 1.00 42.44 H new ATOM 0 HH22 ARG A 68 1.768 0.659 13.156 1.00 42.44 H new ATOM 1051 N ILE A 69 -4.621 -2.449 8.470 1.00 5.14 N ATOM 1052 CA ILE A 69 -5.857 -2.735 7.776 1.00 5.41 C ATOM 1053 C ILE A 69 -7.077 -2.235 8.511 1.00 52.45 C ATOM 1054 O ILE A 69 -7.096 -2.206 9.746 1.00 43.33 O ATOM 1055 CB ILE A 69 -6.009 -4.225 7.288 1.00 22.10 C ATOM 1056 CG1 ILE A 69 -5.714 -5.286 8.384 1.00 45.42 C ATOM 1057 CG2 ILE A 69 -5.172 -4.483 6.051 1.00 72.24 C ATOM 1058 CD1 ILE A 69 -6.701 -5.337 9.525 1.00 3.13 C ATOM 0 H ILE A 69 -4.351 -3.121 9.188 1.00 5.14 H new ATOM 0 HA ILE A 69 -5.787 -2.152 6.858 1.00 5.41 H new ATOM 0 HB ILE A 69 -7.063 -4.342 7.038 1.00 22.10 H new ATOM 0 HG12 ILE A 69 -5.679 -6.268 7.913 1.00 45.42 H new ATOM 0 HG13 ILE A 69 -4.722 -5.093 8.793 1.00 45.42 H new ATOM 0 HG21 ILE A 69 -5.297 -5.519 5.737 1.00 72.24 H new ATOM 0 HG22 ILE A 69 -5.494 -3.819 5.249 1.00 72.24 H new ATOM 0 HG23 ILE A 69 -4.122 -4.296 6.277 1.00 72.24 H new ATOM 0 HD11 ILE A 69 -6.401 -6.111 10.232 1.00 3.13 H new ATOM 0 HD12 ILE A 69 -6.722 -4.372 10.031 1.00 3.13 H new ATOM 0 HD13 ILE A 69 -7.694 -5.565 9.137 1.00 3.13 H new ATOM 1070 N LYS A 70 -8.047 -1.762 7.739 1.00 53.40 N ATOM 1071 CA LYS A 70 -9.348 -1.354 8.254 1.00 3.24 C ATOM 1072 C LYS A 70 -9.979 -2.532 8.999 1.00 40.43 C ATOM 1073 O LYS A 70 -10.366 -3.511 8.325 1.00 36.84 O ATOM 1074 CB LYS A 70 -10.276 -0.953 7.101 1.00 43.33 C ATOM 1075 CG LYS A 70 -11.641 -0.476 7.552 1.00 73.22 C ATOM 1076 CD LYS A 70 -12.601 -0.299 6.377 1.00 65.33 C ATOM 1077 CE LYS A 70 -12.935 -1.645 5.721 1.00 32.13 C ATOM 1078 NZ LYS A 70 -13.865 -1.515 4.577 1.00 72.42 N ATOM 1079 OXT LYS A 70 -10.116 -2.473 10.235 1.00 36.84 O ATOM 0 H LYS A 70 -7.952 -1.650 6.730 1.00 53.40 H new ATOM 0 HA LYS A 70 -9.213 -0.503 8.922 1.00 3.24 H new ATOM 0 HB2 LYS A 70 -9.799 -0.163 6.521 1.00 43.33 H new ATOM 0 HB3 LYS A 70 -10.402 -1.806 6.435 1.00 43.33 H new ATOM 0 HG2 LYS A 70 -12.060 -1.192 8.258 1.00 73.22 H new ATOM 0 HG3 LYS A 70 -11.538 0.471 8.082 1.00 73.22 H new ATOM 0 HD2 LYS A 70 -13.519 0.177 6.723 1.00 65.33 H new ATOM 0 HD3 LYS A 70 -12.156 0.367 5.638 1.00 65.33 H new ATOM 0 HE2 LYS A 70 -12.013 -2.116 5.381 1.00 32.13 H new ATOM 0 HE3 LYS A 70 -13.375 -2.307 6.467 1.00 32.13 H new ATOM 0 HZ1 LYS A 70 -14.174 -2.460 4.271 1.00 72.42 H new ATOM 0 HZ2 LYS A 70 -14.694 -0.957 4.865 1.00 72.42 H new ATOM 0 HZ3 LYS A 70 -13.382 -1.037 3.790 1.00 72.42 H new TER 1093 LYS A 70