USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=14 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 HD1:sc= -1.05 K(o=-1.3,f=-4!) USER MOD Set 1.2: A 35 SER OG : rot 180:sc= -0.213 USER MOD Set 2.1: A 23 GLN : amide:sc= -0.022 X(o=-0.84,f=-1.2) USER MOD Set 2.2: A 25 ASN : amide:sc= -0.818 K(o=-0.84,f=-0.022) USER MOD Single : A 1 MET CE :methyl -156:sc= -0.0081 (180deg=-0.345) USER MOD Single : A 1 MET N :NH3+ -160:sc= 0.907 (180deg=0.622) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -0.0466 K(o=-0.047,f=-1.3!) USER MOD Single : A 8 LYS NZ :NH3+ 177:sc= 1.25 (180deg=1.17) USER MOD Single : A 10 LYS NZ :NH3+ -131:sc= 2.4 (180deg=0.749) USER MOD Single : A 12 TYR OH : rot 180:sc= -0.427 USER MOD Single : A 13 ASN : amide:sc=-0.00875 K(o=-0.0087,f=-0.89) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.00637 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.558 K(o=-0.56,f=0) USER MOD Single : A 28 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0345) USER MOD Single : A 34 LYS NZ :NH3+ -164:sc= -0.0307 (180deg=-0.237) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.0066) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -2.14! K(o=-2.1!,f=-0.03) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.91 K(o=-0.91,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= 1.04 K(o=1,f=-0.92) USER MOD Single : A 70 LYS NZ :NH3+ -172:sc= 0.301 (180deg=0.129) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.332 13.052 2.699 1.00 14.54 N ATOM 2 CA MET A 1 5.639 11.986 3.419 1.00 5.33 C ATOM 3 C MET A 1 4.241 12.430 3.834 1.00 55.54 C ATOM 4 O MET A 1 4.042 13.539 4.309 1.00 40.32 O ATOM 5 CB MET A 1 6.432 11.552 4.665 1.00 42.50 C ATOM 6 CG MET A 1 5.802 10.395 5.439 1.00 11.40 C ATOM 7 SD MET A 1 6.735 9.946 6.917 1.00 12.02 S ATOM 8 CE MET A 1 5.773 8.554 7.516 1.00 31.10 C ATOM 0 H1 MET A 1 7.111 12.646 2.143 1.00 14.54 H new ATOM 0 H2 MET A 1 5.665 13.531 2.061 1.00 14.54 H new ATOM 0 H3 MET A 1 6.714 13.739 3.380 1.00 14.54 H new ATOM 0 HA MET A 1 5.556 11.136 2.742 1.00 5.33 H new ATOM 0 HB2 MET A 1 7.438 11.264 4.359 1.00 42.50 H new ATOM 0 HB3 MET A 1 6.534 12.408 5.333 1.00 42.50 H new ATOM 0 HG2 MET A 1 4.786 10.667 5.726 1.00 11.40 H new ATOM 0 HG3 MET A 1 5.727 9.526 4.785 1.00 11.40 H new ATOM 0 HE1 MET A 1 5.934 8.435 8.587 1.00 31.10 H new ATOM 0 HE2 MET A 1 4.715 8.734 7.326 1.00 31.10 H new ATOM 0 HE3 MET A 1 6.085 7.647 6.999 1.00 31.10 H new ATOM 20 N ALA A 2 3.293 11.562 3.631 1.00 63.30 N ATOM 21 CA ALA A 2 1.928 11.762 4.026 1.00 73.22 C ATOM 22 C ALA A 2 1.614 10.725 5.085 1.00 11.13 C ATOM 23 O ALA A 2 2.137 9.606 5.017 1.00 65.31 O ATOM 24 CB ALA A 2 1.020 11.586 2.828 1.00 23.51 C ATOM 0 H ALA A 2 3.454 10.666 3.171 1.00 63.30 H new ATOM 0 HA ALA A 2 1.774 12.767 4.419 1.00 73.22 H new ATOM 0 HB1 ALA A 2 -0.016 11.738 3.131 1.00 23.51 H new ATOM 0 HB2 ALA A 2 1.285 12.314 2.061 1.00 23.51 H new ATOM 0 HB3 ALA A 2 1.136 10.579 2.428 1.00 23.51 H new ATOM 30 N THR A 3 0.795 11.074 6.053 1.00 22.24 N ATOM 31 CA THR A 3 0.512 10.173 7.156 1.00 55.32 C ATOM 32 C THR A 3 -0.972 9.838 7.258 1.00 73.14 C ATOM 33 O THR A 3 -1.826 10.705 7.022 1.00 4.40 O ATOM 34 CB THR A 3 1.025 10.748 8.502 1.00 63.30 C ATOM 35 OG1 THR A 3 0.487 12.072 8.717 1.00 13.23 O ATOM 36 CG2 THR A 3 2.547 10.809 8.534 1.00 44.22 C ATOM 0 H THR A 3 0.313 11.972 6.102 1.00 22.24 H new ATOM 0 HA THR A 3 1.049 9.248 6.946 1.00 55.32 H new ATOM 0 HB THR A 3 0.688 10.082 9.296 1.00 63.30 H new ATOM 0 HG1 THR A 3 0.816 12.424 9.570 1.00 13.23 H new ATOM 0 HG21 THR A 3 2.875 11.216 9.490 1.00 44.22 H new ATOM 0 HG22 THR A 3 2.954 9.806 8.408 1.00 44.22 H new ATOM 0 HG23 THR A 3 2.903 11.449 7.726 1.00 44.22 H new ATOM 44 N ASN A 4 -1.260 8.575 7.601 1.00 50.13 N ATOM 45 CA ASN A 4 -2.623 8.052 7.766 1.00 44.43 C ATOM 46 C ASN A 4 -3.462 8.252 6.539 1.00 62.44 C ATOM 47 O ASN A 4 -4.318 9.152 6.465 1.00 4.11 O ATOM 48 CB ASN A 4 -3.321 8.568 9.038 1.00 40.05 C ATOM 49 CG ASN A 4 -2.656 8.064 10.297 1.00 33.30 C ATOM 50 OD1 ASN A 4 -2.105 6.974 10.315 1.00 1.45 O ATOM 51 ND2 ASN A 4 -2.701 8.840 11.352 1.00 30.43 N ATOM 0 H ASN A 4 -0.539 7.875 7.775 1.00 50.13 H new ATOM 0 HA ASN A 4 -2.512 6.976 7.902 1.00 44.43 H new ATOM 0 HB2 ASN A 4 -3.315 9.658 9.037 1.00 40.05 H new ATOM 0 HB3 ASN A 4 -4.365 8.255 9.030 1.00 40.05 H new ATOM 0 HD21 ASN A 4 -2.267 8.540 12.225 1.00 30.43 H new ATOM 0 HD22 ASN A 4 -3.170 9.744 11.300 1.00 30.43 H new ATOM 58 N ILE A 5 -3.183 7.455 5.559 1.00 14.22 N ATOM 59 CA ILE A 5 -3.836 7.540 4.288 1.00 34.11 C ATOM 60 C ILE A 5 -4.922 6.512 4.177 1.00 24.40 C ATOM 61 O ILE A 5 -4.872 5.460 4.831 1.00 25.44 O ATOM 62 CB ILE A 5 -2.810 7.334 3.160 1.00 14.22 C ATOM 63 CG1 ILE A 5 -1.706 8.349 3.327 1.00 41.53 C ATOM 64 CG2 ILE A 5 -3.441 7.426 1.764 1.00 42.23 C ATOM 65 CD1 ILE A 5 -0.699 8.324 2.242 1.00 1.05 C ATOM 0 H ILE A 5 -2.484 6.714 5.618 1.00 14.22 H new ATOM 0 HA ILE A 5 -4.285 8.529 4.197 1.00 34.11 H new ATOM 0 HB ILE A 5 -2.406 6.324 3.237 1.00 14.22 H new ATOM 0 HG12 ILE A 5 -2.146 9.345 3.378 1.00 41.53 H new ATOM 0 HG13 ILE A 5 -1.205 8.173 4.279 1.00 41.53 H new ATOM 0 HG21 ILE A 5 -2.672 7.273 1.006 1.00 42.23 H new ATOM 0 HG22 ILE A 5 -4.210 6.660 1.661 1.00 42.23 H new ATOM 0 HG23 ILE A 5 -3.890 8.410 1.632 1.00 42.23 H new ATOM 0 HD11 ILE A 5 0.061 9.082 2.433 1.00 1.05 H new ATOM 0 HD12 ILE A 5 -0.230 7.341 2.204 1.00 1.05 H new ATOM 0 HD13 ILE A 5 -1.186 8.531 1.289 1.00 1.05 H new ATOM 77 N VAL A 6 -5.900 6.821 3.391 1.00 54.02 N ATOM 78 CA VAL A 6 -6.962 5.919 3.127 1.00 44.24 C ATOM 79 C VAL A 6 -6.769 5.299 1.778 1.00 12.32 C ATOM 80 O VAL A 6 -6.384 5.975 0.814 1.00 33.21 O ATOM 81 CB VAL A 6 -8.350 6.613 3.125 1.00 43.41 C ATOM 82 CG1 VAL A 6 -9.457 5.637 2.685 1.00 64.42 C ATOM 83 CG2 VAL A 6 -8.664 7.208 4.484 1.00 1.42 C ATOM 0 H VAL A 6 -5.981 7.717 2.911 1.00 54.02 H new ATOM 0 HA VAL A 6 -6.943 5.175 3.923 1.00 44.24 H new ATOM 0 HB VAL A 6 -8.313 7.427 2.401 1.00 43.41 H new ATOM 0 HG11 VAL A 6 -10.419 6.150 2.693 1.00 64.42 H new ATOM 0 HG12 VAL A 6 -9.246 5.277 1.678 1.00 64.42 H new ATOM 0 HG13 VAL A 6 -9.491 4.792 3.372 1.00 64.42 H new ATOM 0 HG21 VAL A 6 -9.642 7.688 4.454 1.00 1.42 H new ATOM 0 HG22 VAL A 6 -8.671 6.418 5.235 1.00 1.42 H new ATOM 0 HG23 VAL A 6 -7.905 7.947 4.742 1.00 1.42 H new ATOM 93 N GLY A 7 -6.975 4.039 1.726 1.00 20.13 N ATOM 94 CA GLY A 7 -7.067 3.382 0.502 1.00 35.52 C ATOM 95 C GLY A 7 -7.417 1.971 0.663 1.00 71.43 C ATOM 96 O GLY A 7 -7.565 1.476 1.771 1.00 70.55 O ATOM 0 H GLY A 7 -7.084 3.439 2.543 1.00 20.13 H new ATOM 0 HA2 GLY A 7 -7.817 3.873 -0.118 1.00 35.52 H new ATOM 0 HA3 GLY A 7 -6.116 3.462 -0.025 1.00 35.52 H new ATOM 100 N LYS A 8 -7.601 1.355 -0.412 1.00 34.35 N ATOM 101 CA LYS A 8 -7.909 -0.016 -0.490 1.00 62.20 C ATOM 102 C LYS A 8 -6.886 -0.694 -1.360 1.00 24.44 C ATOM 103 O LYS A 8 -6.404 -0.103 -2.330 1.00 24.23 O ATOM 104 CB LYS A 8 -9.299 -0.157 -1.075 1.00 3.55 C ATOM 105 CG LYS A 8 -9.762 -1.576 -1.316 1.00 63.12 C ATOM 106 CD LYS A 8 -11.189 -1.596 -1.812 1.00 52.43 C ATOM 107 CE LYS A 8 -12.152 -1.118 -0.737 1.00 52.22 C ATOM 108 NZ LYS A 8 -13.524 -0.989 -1.241 1.00 25.31 N ATOM 0 H LYS A 8 -7.541 1.807 -1.324 1.00 34.35 H new ATOM 0 HA LYS A 8 -7.889 -0.482 0.495 1.00 62.20 H new ATOM 0 HB2 LYS A 8 -10.008 0.329 -0.404 1.00 3.55 H new ATOM 0 HB3 LYS A 8 -9.333 0.384 -2.021 1.00 3.55 H new ATOM 0 HG2 LYS A 8 -9.111 -2.057 -2.046 1.00 63.12 H new ATOM 0 HG3 LYS A 8 -9.685 -2.151 -0.393 1.00 63.12 H new ATOM 0 HD2 LYS A 8 -11.279 -0.961 -2.693 1.00 52.43 H new ATOM 0 HD3 LYS A 8 -11.456 -2.607 -2.119 1.00 52.43 H new ATOM 0 HE2 LYS A 8 -12.138 -1.818 0.099 1.00 52.22 H new ATOM 0 HE3 LYS A 8 -11.816 -0.155 -0.352 1.00 52.22 H new ATOM 0 HZ1 LYS A 8 -14.155 -0.710 -0.463 1.00 25.31 H new ATOM 0 HZ2 LYS A 8 -13.553 -0.265 -1.987 1.00 25.31 H new ATOM 0 HZ3 LYS A 8 -13.838 -1.901 -1.631 1.00 25.31 H new ATOM 122 N VAL A 9 -6.523 -1.905 -0.995 1.00 44.22 N ATOM 123 CA VAL A 9 -5.587 -2.682 -1.765 1.00 43.23 C ATOM 124 C VAL A 9 -6.123 -2.852 -3.176 1.00 62.42 C ATOM 125 O VAL A 9 -7.123 -3.547 -3.403 1.00 51.53 O ATOM 126 CB VAL A 9 -5.303 -4.064 -1.123 1.00 12.00 C ATOM 127 CG1 VAL A 9 -4.347 -4.877 -1.984 1.00 11.21 C ATOM 128 CG2 VAL A 9 -4.741 -3.904 0.282 1.00 2.01 C ATOM 0 H VAL A 9 -6.870 -2.374 -0.158 1.00 44.22 H new ATOM 0 HA VAL A 9 -4.639 -2.145 -1.788 1.00 43.23 H new ATOM 0 HB VAL A 9 -6.249 -4.601 -1.057 1.00 12.00 H new ATOM 0 HG11 VAL A 9 -4.164 -5.842 -1.512 1.00 11.21 H new ATOM 0 HG12 VAL A 9 -4.787 -5.032 -2.969 1.00 11.21 H new ATOM 0 HG13 VAL A 9 -3.405 -4.339 -2.088 1.00 11.21 H new ATOM 0 HG21 VAL A 9 -4.550 -4.887 0.712 1.00 2.01 H new ATOM 0 HG22 VAL A 9 -3.810 -3.339 0.239 1.00 2.01 H new ATOM 0 HG23 VAL A 9 -5.460 -3.370 0.903 1.00 2.01 H new ATOM 138 N LYS A 10 -5.473 -2.174 -4.091 1.00 55.30 N ATOM 139 CA LYS A 10 -5.836 -2.147 -5.476 1.00 64.21 C ATOM 140 C LYS A 10 -5.562 -3.537 -6.032 1.00 55.21 C ATOM 141 O LYS A 10 -6.413 -4.153 -6.655 1.00 40.22 O ATOM 142 CB LYS A 10 -4.959 -1.082 -6.126 1.00 33.12 C ATOM 143 CG LYS A 10 -5.208 -0.727 -7.563 1.00 33.11 C ATOM 144 CD LYS A 10 -4.145 0.270 -7.983 1.00 61.30 C ATOM 145 CE LYS A 10 -4.232 0.676 -9.420 1.00 3.32 C ATOM 146 NZ LYS A 10 -5.384 1.546 -9.722 1.00 62.23 N ATOM 0 H LYS A 10 -4.651 -1.609 -3.879 1.00 55.30 H new ATOM 0 HA LYS A 10 -6.883 -1.904 -5.658 1.00 64.21 H new ATOM 0 HB2 LYS A 10 -5.055 -0.169 -5.538 1.00 33.12 H new ATOM 0 HB3 LYS A 10 -3.923 -1.409 -6.040 1.00 33.12 H new ATOM 0 HG2 LYS A 10 -5.166 -1.618 -8.190 1.00 33.11 H new ATOM 0 HG3 LYS A 10 -6.203 -0.299 -7.684 1.00 33.11 H new ATOM 0 HD2 LYS A 10 -4.227 1.159 -7.358 1.00 61.30 H new ATOM 0 HD3 LYS A 10 -3.162 -0.161 -7.796 1.00 61.30 H new ATOM 0 HE2 LYS A 10 -3.314 1.194 -9.698 1.00 3.32 H new ATOM 0 HE3 LYS A 10 -4.292 -0.220 -10.038 1.00 3.32 H new ATOM 0 HZ1 LYS A 10 -5.888 1.178 -10.554 1.00 62.23 H new ATOM 0 HZ2 LYS A 10 -6.029 1.564 -8.906 1.00 62.23 H new ATOM 0 HZ3 LYS A 10 -5.048 2.510 -9.919 1.00 62.23 H new ATOM 160 N TRP A 11 -4.370 -4.026 -5.746 1.00 55.11 N ATOM 161 CA TRP A 11 -3.968 -5.379 -6.054 1.00 70.34 C ATOM 162 C TRP A 11 -2.678 -5.667 -5.363 1.00 43.30 C ATOM 163 O TRP A 11 -1.931 -4.748 -5.037 1.00 64.14 O ATOM 164 CB TRP A 11 -3.841 -5.669 -7.566 1.00 63.13 C ATOM 165 CG TRP A 11 -2.804 -4.869 -8.308 1.00 33.41 C ATOM 166 CD1 TRP A 11 -2.945 -3.633 -8.862 1.00 50.04 C ATOM 167 CD2 TRP A 11 -1.470 -5.286 -8.596 1.00 32.22 C ATOM 168 NE1 TRP A 11 -1.771 -3.254 -9.462 1.00 34.31 N ATOM 169 CE2 TRP A 11 -0.852 -4.254 -9.313 1.00 61.14 C ATOM 170 CE3 TRP A 11 -0.743 -6.432 -8.306 1.00 11.22 C ATOM 171 CZ2 TRP A 11 0.470 -4.338 -9.752 1.00 12.51 C ATOM 172 CZ3 TRP A 11 0.568 -6.520 -8.738 1.00 32.53 C ATOM 173 CH2 TRP A 11 1.162 -5.476 -9.453 1.00 4.23 C ATOM 0 H TRP A 11 -3.642 -3.480 -5.284 1.00 55.11 H new ATOM 0 HA TRP A 11 -4.760 -6.037 -5.696 1.00 70.34 H new ATOM 0 HB2 TRP A 11 -3.615 -6.727 -7.695 1.00 63.13 H new ATOM 0 HB3 TRP A 11 -4.810 -5.491 -8.032 1.00 63.13 H new ATOM 0 HD1 TRP A 11 -3.847 -3.039 -8.833 1.00 50.04 H new ATOM 0 HE1 TRP A 11 -1.610 -2.368 -9.942 1.00 34.31 H new ATOM 0 HE3 TRP A 11 -1.194 -7.242 -7.752 1.00 11.22 H new ATOM 0 HZ2 TRP A 11 0.928 -3.533 -10.307 1.00 12.51 H new ATOM 0 HZ3 TRP A 11 1.141 -7.409 -8.520 1.00 32.53 H new ATOM 0 HH2 TRP A 11 2.188 -5.572 -9.775 1.00 4.23 H new ATOM 184 N TYR A 12 -2.424 -6.909 -5.133 1.00 42.14 N ATOM 185 CA TYR A 12 -1.206 -7.338 -4.491 1.00 11.34 C ATOM 186 C TYR A 12 -0.924 -8.772 -4.847 1.00 5.10 C ATOM 187 O TYR A 12 -1.652 -9.689 -4.436 1.00 71.11 O ATOM 188 CB TYR A 12 -1.284 -7.167 -2.963 1.00 41.22 C ATOM 189 CG TYR A 12 -0.007 -7.547 -2.227 1.00 33.52 C ATOM 190 CD1 TYR A 12 1.044 -6.647 -2.117 1.00 0.11 C ATOM 191 CD2 TYR A 12 0.140 -8.797 -1.639 1.00 54.11 C ATOM 192 CE1 TYR A 12 2.205 -6.982 -1.444 1.00 1.14 C ATOM 193 CE2 TYR A 12 1.295 -9.139 -0.966 1.00 0.33 C ATOM 194 CZ TYR A 12 2.324 -8.230 -0.870 1.00 13.01 C ATOM 195 OH TYR A 12 3.477 -8.569 -0.196 1.00 21.33 O ATOM 0 H TYR A 12 -3.054 -7.671 -5.383 1.00 42.14 H new ATOM 0 HA TYR A 12 -0.390 -6.710 -4.849 1.00 11.34 H new ATOM 0 HB2 TYR A 12 -1.525 -6.128 -2.737 1.00 41.22 H new ATOM 0 HB3 TYR A 12 -2.104 -7.775 -2.582 1.00 41.22 H new ATOM 0 HD1 TYR A 12 0.954 -5.668 -2.565 1.00 0.11 H new ATOM 0 HD2 TYR A 12 -0.664 -9.514 -1.710 1.00 54.11 H new ATOM 0 HE1 TYR A 12 3.014 -6.270 -1.369 1.00 1.14 H new ATOM 0 HE2 TYR A 12 1.391 -10.116 -0.516 1.00 0.33 H new ATOM 0 HH TYR A 12 3.398 -9.483 0.149 1.00 21.33 H new ATOM 205 N ASN A 13 0.107 -8.973 -5.609 1.00 71.42 N ATOM 206 CA ASN A 13 0.492 -10.297 -6.000 1.00 63.21 C ATOM 207 C ASN A 13 1.616 -10.776 -5.139 1.00 33.03 C ATOM 208 O ASN A 13 2.716 -10.189 -5.125 1.00 41.13 O ATOM 209 CB ASN A 13 0.863 -10.387 -7.483 1.00 12.13 C ATOM 210 CG ASN A 13 -0.323 -10.162 -8.410 1.00 2.10 C ATOM 211 OD1 ASN A 13 -1.472 -10.462 -8.067 1.00 40.35 O ATOM 212 ND2 ASN A 13 -0.061 -9.660 -9.584 1.00 31.23 N ATOM 0 H ASN A 13 0.703 -8.231 -5.976 1.00 71.42 H new ATOM 0 HA ASN A 13 -0.372 -10.946 -5.858 1.00 63.21 H new ATOM 0 HB2 ASN A 13 1.634 -9.649 -7.704 1.00 12.13 H new ATOM 0 HB3 ASN A 13 1.293 -11.368 -7.685 1.00 12.13 H new ATOM 0 HD21 ASN A 13 -0.816 -9.504 -10.252 1.00 31.23 H new ATOM 0 HD22 ASN A 13 0.899 -9.423 -9.835 1.00 31.23 H new ATOM 219 N SER A 14 1.355 -11.842 -4.431 1.00 73.04 N ATOM 220 CA SER A 14 2.291 -12.435 -3.518 1.00 60.22 C ATOM 221 C SER A 14 3.511 -12.961 -4.279 1.00 35.43 C ATOM 222 O SER A 14 4.597 -13.093 -3.721 1.00 72.52 O ATOM 223 CB SER A 14 1.581 -13.557 -2.775 1.00 13.03 C ATOM 224 OG SER A 14 0.376 -13.065 -2.180 1.00 63.13 O ATOM 0 H SER A 14 0.462 -12.333 -4.475 1.00 73.04 H new ATOM 0 HA SER A 14 2.648 -11.694 -2.803 1.00 60.22 H new ATOM 0 HB2 SER A 14 1.351 -14.371 -3.463 1.00 13.03 H new ATOM 0 HB3 SER A 14 2.236 -13.966 -2.005 1.00 13.03 H new ATOM 0 HG SER A 14 -0.076 -13.794 -1.705 1.00 63.13 H new ATOM 230 N THR A 15 3.313 -13.225 -5.568 1.00 43.54 N ATOM 231 CA THR A 15 4.354 -13.687 -6.459 1.00 64.44 C ATOM 232 C THR A 15 5.560 -12.728 -6.452 1.00 64.12 C ATOM 233 O THR A 15 6.701 -13.156 -6.353 1.00 43.21 O ATOM 234 CB THR A 15 3.795 -13.762 -7.888 1.00 54.41 C ATOM 235 OG1 THR A 15 2.568 -14.496 -7.861 1.00 13.31 O ATOM 236 CG2 THR A 15 4.771 -14.464 -8.821 1.00 51.40 C ATOM 0 H THR A 15 2.406 -13.120 -6.023 1.00 43.54 H new ATOM 0 HA THR A 15 4.685 -14.668 -6.119 1.00 64.44 H new ATOM 0 HB THR A 15 3.634 -12.749 -8.256 1.00 54.41 H new ATOM 0 HG1 THR A 15 2.199 -14.550 -8.767 1.00 13.31 H new ATOM 0 HG21 THR A 15 4.350 -14.503 -9.826 1.00 51.40 H new ATOM 0 HG22 THR A 15 5.712 -13.915 -8.843 1.00 51.40 H new ATOM 0 HG23 THR A 15 4.951 -15.478 -8.463 1.00 51.40 H new ATOM 244 N LYS A 16 5.290 -11.438 -6.521 1.00 61.44 N ATOM 245 CA LYS A 16 6.358 -10.453 -6.592 1.00 24.25 C ATOM 246 C LYS A 16 6.537 -9.697 -5.287 1.00 63.23 C ATOM 247 O LYS A 16 7.465 -8.900 -5.153 1.00 11.11 O ATOM 248 CB LYS A 16 6.107 -9.487 -7.733 1.00 13.00 C ATOM 249 CG LYS A 16 6.112 -10.136 -9.100 1.00 53.05 C ATOM 250 CD LYS A 16 5.818 -9.121 -10.177 1.00 44.24 C ATOM 251 CE LYS A 16 5.839 -9.753 -11.551 1.00 43.11 C ATOM 252 NZ LYS A 16 5.494 -8.776 -12.596 1.00 34.34 N ATOM 0 H LYS A 16 4.348 -11.047 -6.530 1.00 61.44 H new ATOM 0 HA LYS A 16 7.285 -10.996 -6.776 1.00 24.25 H new ATOM 0 HB2 LYS A 16 5.145 -8.999 -7.577 1.00 13.00 H new ATOM 0 HB3 LYS A 16 6.868 -8.707 -7.709 1.00 13.00 H new ATOM 0 HG2 LYS A 16 7.082 -10.598 -9.285 1.00 53.05 H new ATOM 0 HG3 LYS A 16 5.368 -10.932 -9.132 1.00 53.05 H new ATOM 0 HD2 LYS A 16 4.842 -8.670 -9.997 1.00 44.24 H new ATOM 0 HD3 LYS A 16 6.554 -8.318 -10.133 1.00 44.24 H new ATOM 0 HE2 LYS A 16 6.828 -10.165 -11.749 1.00 43.11 H new ATOM 0 HE3 LYS A 16 5.135 -10.585 -11.582 1.00 43.11 H new ATOM 0 HZ1 LYS A 16 5.517 -9.240 -13.526 1.00 34.34 H new ATOM 0 HZ2 LYS A 16 4.540 -8.401 -12.420 1.00 34.34 H new ATOM 0 HZ3 LYS A 16 6.181 -7.995 -12.581 1.00 34.34 H new ATOM 266 N ASN A 17 5.637 -9.942 -4.334 1.00 34.52 N ATOM 267 CA ASN A 17 5.677 -9.300 -3.001 1.00 4.32 C ATOM 268 C ASN A 17 5.359 -7.804 -3.104 1.00 31.21 C ATOM 269 O ASN A 17 5.718 -7.021 -2.223 1.00 23.15 O ATOM 270 CB ASN A 17 7.052 -9.500 -2.293 1.00 73.34 C ATOM 271 CG ASN A 17 7.435 -10.955 -2.019 1.00 40.32 C ATOM 272 OD1 ASN A 17 8.614 -11.302 -2.028 1.00 32.30 O ATOM 273 ND2 ASN A 17 6.477 -11.799 -1.760 1.00 13.42 N ATOM 0 H ASN A 17 4.857 -10.589 -4.455 1.00 34.52 H new ATOM 0 HA ASN A 17 4.914 -9.788 -2.395 1.00 4.32 H new ATOM 0 HB2 ASN A 17 7.829 -9.046 -2.908 1.00 73.34 H new ATOM 0 HB3 ASN A 17 7.038 -8.960 -1.346 1.00 73.34 H new ATOM 0 HD21 ASN A 17 6.697 -12.774 -1.558 1.00 13.42 H new ATOM 0 HD22 ASN A 17 5.507 -11.485 -1.759 1.00 13.42 H new ATOM 280 N PHE A 18 4.675 -7.403 -4.164 1.00 24.10 N ATOM 281 CA PHE A 18 4.264 -6.021 -4.309 1.00 41.14 C ATOM 282 C PHE A 18 2.958 -5.895 -5.063 1.00 4.41 C ATOM 283 O PHE A 18 2.473 -6.863 -5.670 1.00 30.52 O ATOM 284 CB PHE A 18 5.365 -5.090 -4.906 1.00 43.05 C ATOM 285 CG PHE A 18 5.846 -5.403 -6.301 1.00 52.20 C ATOM 286 CD1 PHE A 18 5.119 -4.993 -7.412 1.00 2.31 C ATOM 287 CD2 PHE A 18 7.037 -6.074 -6.500 1.00 75.21 C ATOM 288 CE1 PHE A 18 5.570 -5.258 -8.687 1.00 11.11 C ATOM 289 CE2 PHE A 18 7.495 -6.336 -7.774 1.00 72.43 C ATOM 290 CZ PHE A 18 6.760 -5.928 -8.869 1.00 15.22 C ATOM 0 H PHE A 18 4.395 -8.014 -4.932 1.00 24.10 H new ATOM 0 HA PHE A 18 4.100 -5.664 -3.292 1.00 41.14 H new ATOM 0 HB2 PHE A 18 4.984 -4.069 -4.901 1.00 43.05 H new ATOM 0 HB3 PHE A 18 6.226 -5.113 -4.238 1.00 43.05 H new ATOM 0 HD1 PHE A 18 4.190 -4.460 -7.275 1.00 2.31 H new ATOM 0 HD2 PHE A 18 7.616 -6.397 -5.648 1.00 75.21 H new ATOM 0 HE1 PHE A 18 4.992 -4.941 -9.542 1.00 11.11 H new ATOM 0 HE2 PHE A 18 8.429 -6.860 -7.915 1.00 72.43 H new ATOM 0 HZ PHE A 18 7.117 -6.134 -9.867 1.00 15.22 H new ATOM 300 N GLY A 19 2.397 -4.723 -4.999 1.00 64.53 N ATOM 301 CA GLY A 19 1.163 -4.419 -5.642 1.00 31.45 C ATOM 302 C GLY A 19 0.902 -2.947 -5.566 1.00 43.14 C ATOM 303 O GLY A 19 1.837 -2.167 -5.454 1.00 55.01 O ATOM 0 H GLY A 19 2.798 -3.938 -4.486 1.00 64.53 H new ATOM 0 HA2 GLY A 19 1.197 -4.739 -6.684 1.00 31.45 H new ATOM 0 HA3 GLY A 19 0.350 -4.967 -5.166 1.00 31.45 H new ATOM 307 N PHE A 20 -0.342 -2.565 -5.596 1.00 44.02 N ATOM 308 CA PHE A 20 -0.740 -1.168 -5.532 1.00 3.45 C ATOM 309 C PHE A 20 -1.922 -0.972 -4.608 1.00 22.14 C ATOM 310 O PHE A 20 -2.585 -1.939 -4.210 1.00 30.24 O ATOM 311 CB PHE A 20 -1.069 -0.598 -6.909 1.00 70.01 C ATOM 312 CG PHE A 20 0.108 -0.227 -7.783 1.00 23.12 C ATOM 313 CD1 PHE A 20 0.836 -1.186 -8.460 1.00 21.12 C ATOM 314 CD2 PHE A 20 0.473 1.102 -7.924 1.00 4.54 C ATOM 315 CE1 PHE A 20 1.905 -0.831 -9.259 1.00 14.05 C ATOM 316 CE2 PHE A 20 1.538 1.465 -8.723 1.00 62.41 C ATOM 317 CZ PHE A 20 2.255 0.496 -9.391 1.00 22.12 C ATOM 0 H PHE A 20 -1.126 -3.214 -5.666 1.00 44.02 H new ATOM 0 HA PHE A 20 0.117 -0.625 -5.134 1.00 3.45 H new ATOM 0 HB2 PHE A 20 -1.675 -1.328 -7.445 1.00 70.01 H new ATOM 0 HB3 PHE A 20 -1.686 0.290 -6.772 1.00 70.01 H new ATOM 0 HD1 PHE A 20 0.566 -2.227 -8.363 1.00 21.12 H new ATOM 0 HD2 PHE A 20 -0.084 1.865 -7.401 1.00 4.54 H new ATOM 0 HE1 PHE A 20 2.466 -1.592 -9.780 1.00 14.05 H new ATOM 0 HE2 PHE A 20 1.809 2.506 -8.825 1.00 62.41 H new ATOM 0 HZ PHE A 20 3.090 0.776 -10.017 1.00 22.12 H new ATOM 327 N ILE A 21 -2.197 0.278 -4.290 1.00 23.11 N ATOM 328 CA ILE A 21 -3.281 0.665 -3.403 1.00 13.32 C ATOM 329 C ILE A 21 -3.908 1.954 -3.934 1.00 23.44 C ATOM 330 O ILE A 21 -3.195 2.837 -4.403 1.00 55.14 O ATOM 331 CB ILE A 21 -2.763 0.926 -1.940 1.00 30.12 C ATOM 332 CG1 ILE A 21 -2.058 -0.310 -1.379 1.00 31.35 C ATOM 333 CG2 ILE A 21 -3.904 1.336 -1.027 1.00 72.41 C ATOM 334 CD1 ILE A 21 -1.491 -0.123 0.016 1.00 22.01 C ATOM 0 H ILE A 21 -1.663 1.070 -4.647 1.00 23.11 H new ATOM 0 HA ILE A 21 -4.008 -0.147 -3.372 1.00 13.32 H new ATOM 0 HB ILE A 21 -2.043 1.743 -1.985 1.00 30.12 H new ATOM 0 HG12 ILE A 21 -2.763 -1.141 -1.364 1.00 31.35 H new ATOM 0 HG13 ILE A 21 -1.249 -0.590 -2.053 1.00 31.35 H new ATOM 0 HG21 ILE A 21 -3.521 1.511 -0.022 1.00 72.41 H new ATOM 0 HG22 ILE A 21 -4.362 2.250 -1.405 1.00 72.41 H new ATOM 0 HG23 ILE A 21 -4.650 0.542 -0.998 1.00 72.41 H new ATOM 0 HD11 ILE A 21 -1.008 -1.045 0.339 1.00 22.01 H new ATOM 0 HD12 ILE A 21 -0.760 0.685 0.006 1.00 22.01 H new ATOM 0 HD13 ILE A 21 -2.297 0.126 0.706 1.00 22.01 H new ATOM 346 N GLU A 22 -5.224 2.033 -3.902 1.00 50.51 N ATOM 347 CA GLU A 22 -5.935 3.237 -4.273 1.00 41.52 C ATOM 348 C GLU A 22 -7.112 3.342 -3.345 1.00 41.33 C ATOM 349 O GLU A 22 -7.640 2.325 -2.917 1.00 5.21 O ATOM 350 CB GLU A 22 -6.461 3.179 -5.729 1.00 13.13 C ATOM 351 CG GLU A 22 -7.544 2.126 -5.957 1.00 1.24 C ATOM 352 CD GLU A 22 -8.139 2.170 -7.336 1.00 4.31 C ATOM 353 OE1 GLU A 22 -7.567 1.572 -8.263 1.00 33.42 O ATOM 354 OE2 GLU A 22 -9.196 2.801 -7.518 1.00 70.53 O ATOM 0 H GLU A 22 -5.829 1.263 -3.618 1.00 50.51 H new ATOM 0 HA GLU A 22 -5.261 4.091 -4.203 1.00 41.52 H new ATOM 0 HB2 GLU A 22 -6.857 4.157 -6.001 1.00 13.13 H new ATOM 0 HB3 GLU A 22 -5.625 2.977 -6.399 1.00 13.13 H new ATOM 0 HG2 GLU A 22 -7.121 1.137 -5.784 1.00 1.24 H new ATOM 0 HG3 GLU A 22 -8.337 2.266 -5.223 1.00 1.24 H new ATOM 361 N GLN A 23 -7.523 4.514 -2.998 1.00 44.50 N ATOM 362 CA GLN A 23 -8.725 4.593 -2.215 1.00 24.45 C ATOM 363 C GLN A 23 -9.890 4.610 -3.130 1.00 73.00 C ATOM 364 O GLN A 23 -9.759 5.000 -4.303 1.00 30.55 O ATOM 365 CB GLN A 23 -8.768 5.771 -1.241 1.00 42.24 C ATOM 366 CG GLN A 23 -8.741 7.129 -1.869 1.00 4.33 C ATOM 367 CD GLN A 23 -8.815 8.221 -0.838 1.00 32.24 C ATOM 368 OE1 GLN A 23 -9.888 8.685 -0.493 1.00 21.23 O ATOM 369 NE2 GLN A 23 -7.687 8.603 -0.312 1.00 33.41 N ATOM 0 H GLN A 23 -7.073 5.400 -3.228 1.00 44.50 H new ATOM 0 HA GLN A 23 -8.752 3.710 -1.576 1.00 24.45 H new ATOM 0 HB2 GLN A 23 -9.671 5.687 -0.637 1.00 42.24 H new ATOM 0 HB3 GLN A 23 -7.921 5.688 -0.560 1.00 42.24 H new ATOM 0 HG2 GLN A 23 -7.828 7.242 -2.453 1.00 4.33 H new ATOM 0 HG3 GLN A 23 -9.577 7.226 -2.562 1.00 4.33 H new ATOM 0 HE21 GLN A 23 -6.810 8.189 -0.629 1.00 33.41 H new ATOM 0 HE22 GLN A 23 -7.680 9.316 0.417 1.00 33.41 H new ATOM 378 N ASP A 24 -11.018 4.212 -2.611 1.00 1.15 N ATOM 379 CA ASP A 24 -12.263 4.123 -3.362 1.00 52.31 C ATOM 380 C ASP A 24 -12.616 5.430 -4.054 1.00 65.41 C ATOM 381 O ASP A 24 -13.274 5.434 -5.097 1.00 74.12 O ATOM 382 CB ASP A 24 -13.413 3.720 -2.458 1.00 20.02 C ATOM 383 CG ASP A 24 -13.256 2.368 -1.828 1.00 31.32 C ATOM 384 OD1 ASP A 24 -13.415 1.344 -2.526 1.00 52.34 O ATOM 385 OD2 ASP A 24 -12.997 2.302 -0.606 1.00 0.51 O ATOM 0 H ASP A 24 -11.111 3.932 -1.635 1.00 1.15 H new ATOM 0 HA ASP A 24 -12.105 3.361 -4.125 1.00 52.31 H new ATOM 0 HB2 ASP A 24 -13.519 4.465 -1.670 1.00 20.02 H new ATOM 0 HB3 ASP A 24 -14.337 3.734 -3.036 1.00 20.02 H new ATOM 390 N ASN A 25 -12.154 6.533 -3.494 1.00 35.04 N ATOM 391 CA ASN A 25 -12.436 7.853 -4.043 1.00 62.21 C ATOM 392 C ASN A 25 -11.508 8.202 -5.203 1.00 2.44 C ATOM 393 O ASN A 25 -11.546 9.321 -5.714 1.00 35.34 O ATOM 394 CB ASN A 25 -12.344 8.948 -2.963 1.00 5.40 C ATOM 395 CG ASN A 25 -13.352 8.794 -1.829 1.00 62.35 C ATOM 396 OD1 ASN A 25 -13.090 9.197 -0.697 1.00 64.14 O ATOM 397 ND2 ASN A 25 -14.506 8.229 -2.116 1.00 42.33 N ATOM 0 H ASN A 25 -11.577 6.543 -2.653 1.00 35.04 H new ATOM 0 HA ASN A 25 -13.458 7.813 -4.420 1.00 62.21 H new ATOM 0 HB2 ASN A 25 -11.338 8.945 -2.543 1.00 5.40 H new ATOM 0 HB3 ASN A 25 -12.490 9.920 -3.434 1.00 5.40 H new ATOM 0 HD21 ASN A 25 -15.213 8.115 -1.389 1.00 42.33 H new ATOM 0 HD22 ASN A 25 -14.693 7.905 -3.065 1.00 42.33 H new ATOM 404 N GLY A 26 -10.676 7.263 -5.625 1.00 61.45 N ATOM 405 CA GLY A 26 -9.789 7.545 -6.727 1.00 4.25 C ATOM 406 C GLY A 26 -8.563 8.259 -6.253 1.00 35.54 C ATOM 407 O GLY A 26 -8.229 9.336 -6.745 1.00 12.42 O ATOM 0 H GLY A 26 -10.601 6.326 -5.230 1.00 61.45 H new ATOM 0 HA2 GLY A 26 -9.506 6.615 -7.219 1.00 4.25 H new ATOM 0 HA3 GLY A 26 -10.306 8.154 -7.469 1.00 4.25 H new ATOM 411 N GLY A 27 -7.926 7.694 -5.252 1.00 75.11 N ATOM 412 CA GLY A 27 -6.740 8.300 -4.691 1.00 54.10 C ATOM 413 C GLY A 27 -5.513 8.055 -5.535 1.00 70.24 C ATOM 414 O GLY A 27 -5.616 7.577 -6.685 1.00 43.01 O ATOM 0 H GLY A 27 -8.208 6.819 -4.811 1.00 75.11 H new ATOM 0 HA2 GLY A 27 -6.898 9.374 -4.588 1.00 54.10 H new ATOM 0 HA3 GLY A 27 -6.573 7.905 -3.689 1.00 54.10 H new ATOM 418 N LYS A 28 -4.361 8.362 -4.974 1.00 73.04 N ATOM 419 CA LYS A 28 -3.102 8.206 -5.667 1.00 11.03 C ATOM 420 C LYS A 28 -2.807 6.742 -5.880 1.00 60.13 C ATOM 421 O LYS A 28 -3.126 5.906 -5.031 1.00 63.10 O ATOM 422 CB LYS A 28 -1.965 8.815 -4.867 1.00 13.34 C ATOM 423 CG LYS A 28 -2.134 10.289 -4.536 1.00 62.02 C ATOM 424 CD LYS A 28 -0.937 10.790 -3.758 1.00 22.25 C ATOM 425 CE LYS A 28 -1.051 12.269 -3.379 1.00 0.52 C ATOM 426 NZ LYS A 28 -1.107 13.166 -4.558 1.00 11.30 N ATOM 0 H LYS A 28 -4.273 8.726 -4.025 1.00 73.04 H new ATOM 0 HA LYS A 28 -3.184 8.717 -6.626 1.00 11.03 H new ATOM 0 HB2 LYS A 28 -1.856 8.259 -3.936 1.00 13.34 H new ATOM 0 HB3 LYS A 28 -1.038 8.687 -5.425 1.00 13.34 H new ATOM 0 HG2 LYS A 28 -2.247 10.865 -5.455 1.00 62.02 H new ATOM 0 HG3 LYS A 28 -3.043 10.437 -3.953 1.00 62.02 H new ATOM 0 HD2 LYS A 28 -0.824 10.195 -2.852 1.00 22.25 H new ATOM 0 HD3 LYS A 28 -0.035 10.640 -4.352 1.00 22.25 H new ATOM 0 HE2 LYS A 28 -1.946 12.416 -2.775 1.00 0.52 H new ATOM 0 HE3 LYS A 28 -0.199 12.546 -2.759 1.00 0.52 H new ATOM 0 HZ1 LYS A 28 -1.098 14.157 -4.241 1.00 11.30 H new ATOM 0 HZ2 LYS A 28 -0.283 12.990 -5.168 1.00 11.30 H new ATOM 0 HZ3 LYS A 28 -1.979 12.982 -5.093 1.00 11.30 H new ATOM 440 N ASP A 29 -2.203 6.436 -6.989 1.00 10.02 N ATOM 441 CA ASP A 29 -1.839 5.073 -7.301 1.00 24.30 C ATOM 442 C ASP A 29 -0.471 4.811 -6.757 1.00 45.33 C ATOM 443 O ASP A 29 0.547 5.040 -7.420 1.00 3.33 O ATOM 444 CB ASP A 29 -1.891 4.770 -8.806 1.00 34.25 C ATOM 445 CG ASP A 29 -3.271 4.914 -9.401 1.00 40.14 C ATOM 446 OD1 ASP A 29 -3.643 6.043 -9.801 1.00 2.42 O ATOM 447 OD2 ASP A 29 -4.005 3.896 -9.516 1.00 22.43 O ATOM 0 H ASP A 29 -1.946 7.116 -7.705 1.00 10.02 H new ATOM 0 HA ASP A 29 -2.569 4.410 -6.837 1.00 24.30 H new ATOM 0 HB2 ASP A 29 -1.207 5.440 -9.327 1.00 34.25 H new ATOM 0 HB3 ASP A 29 -1.534 3.754 -8.977 1.00 34.25 H new ATOM 452 N VAL A 30 -0.452 4.412 -5.538 1.00 42.15 N ATOM 453 CA VAL A 30 0.758 4.169 -4.819 1.00 34.25 C ATOM 454 C VAL A 30 1.053 2.676 -4.783 1.00 33.04 C ATOM 455 O VAL A 30 0.132 1.863 -4.620 1.00 71.34 O ATOM 456 CB VAL A 30 0.656 4.782 -3.382 1.00 11.54 C ATOM 457 CG1 VAL A 30 -0.574 4.326 -2.652 1.00 20.12 C ATOM 458 CG2 VAL A 30 1.844 4.449 -2.559 1.00 5.42 C ATOM 0 H VAL A 30 -1.296 4.239 -4.993 1.00 42.15 H new ATOM 0 HA VAL A 30 1.591 4.655 -5.327 1.00 34.25 H new ATOM 0 HB VAL A 30 0.601 5.861 -3.527 1.00 11.54 H new ATOM 0 HG11 VAL A 30 -0.598 4.779 -1.661 1.00 20.12 H new ATOM 0 HG12 VAL A 30 -1.461 4.627 -3.210 1.00 20.12 H new ATOM 0 HG13 VAL A 30 -0.558 3.241 -2.554 1.00 20.12 H new ATOM 0 HG21 VAL A 30 1.736 4.892 -1.569 1.00 5.42 H new ATOM 0 HG22 VAL A 30 1.930 3.366 -2.465 1.00 5.42 H new ATOM 0 HG23 VAL A 30 2.740 4.844 -3.038 1.00 5.42 H new ATOM 468 N PHE A 31 2.316 2.297 -4.969 1.00 4.22 N ATOM 469 CA PHE A 31 2.634 0.898 -4.949 1.00 3.11 C ATOM 470 C PHE A 31 2.951 0.461 -3.543 1.00 42.41 C ATOM 471 O PHE A 31 3.509 1.221 -2.753 1.00 60.43 O ATOM 472 CB PHE A 31 3.761 0.483 -5.947 1.00 50.41 C ATOM 473 CG PHE A 31 5.175 0.915 -5.622 1.00 42.03 C ATOM 474 CD1 PHE A 31 5.993 0.107 -4.834 1.00 1.30 C ATOM 475 CD2 PHE A 31 5.696 2.089 -6.120 1.00 54.42 C ATOM 476 CE1 PHE A 31 7.292 0.474 -4.551 1.00 44.11 C ATOM 477 CE2 PHE A 31 7.002 2.459 -5.839 1.00 31.31 C ATOM 478 CZ PHE A 31 7.796 1.651 -5.054 1.00 33.34 C ATOM 0 H PHE A 31 3.103 2.926 -5.129 1.00 4.22 H new ATOM 0 HA PHE A 31 1.745 0.374 -5.300 1.00 3.11 H new ATOM 0 HB2 PHE A 31 3.752 -0.604 -6.032 1.00 50.41 H new ATOM 0 HB3 PHE A 31 3.505 0.881 -6.929 1.00 50.41 H new ATOM 0 HD1 PHE A 31 5.604 -0.820 -4.439 1.00 1.30 H new ATOM 0 HD2 PHE A 31 5.080 2.728 -6.736 1.00 54.42 H new ATOM 0 HE1 PHE A 31 7.912 -0.161 -3.936 1.00 44.11 H new ATOM 0 HE2 PHE A 31 7.398 3.382 -6.236 1.00 31.31 H new ATOM 0 HZ PHE A 31 8.813 1.942 -4.834 1.00 33.34 H new ATOM 488 N VAL A 32 2.585 -0.724 -3.231 1.00 32.20 N ATOM 489 CA VAL A 32 2.826 -1.273 -1.940 1.00 21.32 C ATOM 490 C VAL A 32 3.771 -2.445 -2.079 1.00 73.53 C ATOM 491 O VAL A 32 3.653 -3.239 -3.009 1.00 63.01 O ATOM 492 CB VAL A 32 1.499 -1.706 -1.244 1.00 40.12 C ATOM 493 CG1 VAL A 32 0.741 -2.757 -2.046 1.00 35.14 C ATOM 494 CG2 VAL A 32 1.754 -2.192 0.166 1.00 54.42 C ATOM 0 H VAL A 32 2.102 -1.355 -3.871 1.00 32.20 H new ATOM 0 HA VAL A 32 3.278 -0.509 -1.307 1.00 21.32 H new ATOM 0 HB VAL A 32 0.868 -0.819 -1.195 1.00 40.12 H new ATOM 0 HG11 VAL A 32 -0.175 -3.025 -1.520 1.00 35.14 H new ATOM 0 HG12 VAL A 32 0.491 -2.355 -3.028 1.00 35.14 H new ATOM 0 HG13 VAL A 32 1.364 -3.643 -2.165 1.00 35.14 H new ATOM 0 HG21 VAL A 32 0.811 -2.487 0.625 1.00 54.42 H new ATOM 0 HG22 VAL A 32 2.428 -3.048 0.139 1.00 54.42 H new ATOM 0 HG23 VAL A 32 2.208 -1.391 0.750 1.00 54.42 H new ATOM 504 N HIS A 33 4.723 -2.530 -1.211 1.00 52.41 N ATOM 505 CA HIS A 33 5.662 -3.603 -1.239 1.00 15.44 C ATOM 506 C HIS A 33 5.665 -4.299 0.115 1.00 11.22 C ATOM 507 O HIS A 33 5.233 -3.723 1.109 1.00 71.21 O ATOM 508 CB HIS A 33 7.056 -3.073 -1.650 1.00 1.15 C ATOM 509 CG HIS A 33 8.087 -4.129 -1.735 1.00 43.01 C ATOM 510 ND1 HIS A 33 7.873 -5.315 -2.364 1.00 41.15 N ATOM 511 CD2 HIS A 33 9.301 -4.214 -1.195 1.00 1.21 C ATOM 512 CE1 HIS A 33 8.898 -6.079 -2.203 1.00 73.51 C ATOM 513 NE2 HIS A 33 9.790 -5.442 -1.501 1.00 74.43 N ATOM 0 H HIS A 33 4.873 -1.856 -0.460 1.00 52.41 H new ATOM 0 HA HIS A 33 5.378 -4.344 -1.986 1.00 15.44 H new ATOM 0 HB2 HIS A 33 6.976 -2.576 -2.617 1.00 1.15 H new ATOM 0 HB3 HIS A 33 7.377 -2.320 -0.930 1.00 1.15 H new ATOM 0 HD2 HIS A 33 9.802 -3.449 -0.621 1.00 1.21 H new ATOM 0 HE1 HIS A 33 9.000 -7.083 -2.587 1.00 73.51 H new ATOM 0 HE2 HIS A 33 10.703 -5.805 -1.227 1.00 74.43 H new ATOM 522 N LYS A 34 6.148 -5.532 0.154 1.00 61.42 N ATOM 523 CA LYS A 34 6.137 -6.329 1.360 1.00 2.30 C ATOM 524 C LYS A 34 7.006 -5.738 2.461 1.00 74.21 C ATOM 525 O LYS A 34 6.875 -6.095 3.604 1.00 0.44 O ATOM 526 CB LYS A 34 6.460 -7.798 1.064 1.00 52.40 C ATOM 527 CG LYS A 34 6.472 -8.703 2.285 1.00 41.43 C ATOM 528 CD LYS A 34 6.515 -10.142 1.889 1.00 60.13 C ATOM 529 CE LYS A 34 6.671 -11.059 3.092 1.00 53.00 C ATOM 530 NZ LYS A 34 7.970 -10.863 3.777 1.00 30.24 N ATOM 0 H LYS A 34 6.557 -6.003 -0.653 1.00 61.42 H new ATOM 0 HA LYS A 34 5.120 -6.305 1.752 1.00 2.30 H new ATOM 0 HB2 LYS A 34 5.729 -8.181 0.352 1.00 52.40 H new ATOM 0 HB3 LYS A 34 7.435 -7.851 0.579 1.00 52.40 H new ATOM 0 HG2 LYS A 34 7.336 -8.468 2.907 1.00 41.43 H new ATOM 0 HG3 LYS A 34 5.584 -8.515 2.889 1.00 41.43 H new ATOM 0 HD2 LYS A 34 5.601 -10.398 1.354 1.00 60.13 H new ATOM 0 HD3 LYS A 34 7.344 -10.304 1.200 1.00 60.13 H new ATOM 0 HE2 LYS A 34 5.859 -10.875 3.796 1.00 53.00 H new ATOM 0 HE3 LYS A 34 6.584 -12.097 2.770 1.00 53.00 H new ATOM 0 HZ1 LYS A 34 8.155 -11.669 4.407 1.00 30.24 H new ATOM 0 HZ2 LYS A 34 8.729 -10.795 3.069 1.00 30.24 H new ATOM 0 HZ3 LYS A 34 7.939 -9.987 4.336 1.00 30.24 H new ATOM 544 N SER A 35 7.871 -4.818 2.111 1.00 64.32 N ATOM 545 CA SER A 35 8.636 -4.086 3.110 1.00 2.21 C ATOM 546 C SER A 35 7.690 -3.289 4.040 1.00 23.22 C ATOM 547 O SER A 35 8.008 -3.037 5.198 1.00 11.41 O ATOM 548 CB SER A 35 9.623 -3.168 2.428 1.00 32.14 C ATOM 549 OG SER A 35 10.443 -3.905 1.540 1.00 43.04 O ATOM 0 H SER A 35 8.068 -4.553 1.146 1.00 64.32 H new ATOM 0 HA SER A 35 9.190 -4.796 3.725 1.00 2.21 H new ATOM 0 HB2 SER A 35 9.090 -2.390 1.881 1.00 32.14 H new ATOM 0 HB3 SER A 35 10.240 -2.667 3.174 1.00 32.14 H new ATOM 0 HG SER A 35 11.078 -3.300 1.102 1.00 43.04 H new ATOM 555 N ALA A 36 6.520 -2.925 3.528 1.00 43.41 N ATOM 556 CA ALA A 36 5.524 -2.263 4.335 1.00 71.52 C ATOM 557 C ALA A 36 4.861 -3.267 5.252 1.00 15.32 C ATOM 558 O ALA A 36 4.489 -2.942 6.385 1.00 62.20 O ATOM 559 CB ALA A 36 4.504 -1.601 3.482 1.00 34.00 C ATOM 0 H ALA A 36 6.246 -3.081 2.558 1.00 43.41 H new ATOM 0 HA ALA A 36 6.017 -1.496 4.933 1.00 71.52 H new ATOM 0 HB1 ALA A 36 3.765 -1.109 4.114 1.00 34.00 H new ATOM 0 HB2 ALA A 36 4.987 -0.860 2.845 1.00 34.00 H new ATOM 0 HB3 ALA A 36 4.010 -2.347 2.860 1.00 34.00 H new ATOM 565 N VAL A 37 4.701 -4.494 4.749 1.00 44.55 N ATOM 566 CA VAL A 37 4.227 -5.590 5.572 1.00 54.44 C ATOM 567 C VAL A 37 5.259 -5.846 6.630 1.00 4.21 C ATOM 568 O VAL A 37 4.946 -5.939 7.765 1.00 75.44 O ATOM 569 CB VAL A 37 3.998 -6.912 4.771 1.00 54.42 C ATOM 570 CG1 VAL A 37 3.641 -8.052 5.733 1.00 12.22 C ATOM 571 CG2 VAL A 37 2.881 -6.720 3.752 1.00 42.52 C ATOM 0 H VAL A 37 4.894 -4.744 3.779 1.00 44.55 H new ATOM 0 HA VAL A 37 3.262 -5.300 5.988 1.00 54.44 H new ATOM 0 HB VAL A 37 4.916 -7.168 4.243 1.00 54.42 H new ATOM 0 HG11 VAL A 37 3.483 -8.970 5.167 1.00 12.22 H new ATOM 0 HG12 VAL A 37 4.456 -8.199 6.442 1.00 12.22 H new ATOM 0 HG13 VAL A 37 2.730 -7.799 6.275 1.00 12.22 H new ATOM 0 HG21 VAL A 37 2.729 -7.647 3.199 1.00 42.52 H new ATOM 0 HG22 VAL A 37 1.960 -6.451 4.268 1.00 42.52 H new ATOM 0 HG23 VAL A 37 3.154 -5.925 3.059 1.00 42.52 H new ATOM 581 N ASP A 38 6.499 -5.896 6.210 1.00 65.54 N ATOM 582 CA ASP A 38 7.652 -6.112 7.082 1.00 30.22 C ATOM 583 C ASP A 38 7.703 -5.055 8.192 1.00 14.45 C ATOM 584 O ASP A 38 8.147 -5.326 9.309 1.00 22.23 O ATOM 585 CB ASP A 38 8.927 -6.054 6.237 1.00 71.44 C ATOM 586 CG ASP A 38 10.185 -6.345 7.009 1.00 73.52 C ATOM 587 OD1 ASP A 38 10.576 -7.532 7.082 1.00 74.35 O ATOM 588 OD2 ASP A 38 10.813 -5.405 7.513 1.00 73.41 O ATOM 0 H ASP A 38 6.752 -5.786 5.228 1.00 65.54 H new ATOM 0 HA ASP A 38 7.566 -7.089 7.557 1.00 30.22 H new ATOM 0 HB2 ASP A 38 8.841 -6.769 5.419 1.00 71.44 H new ATOM 0 HB3 ASP A 38 9.009 -5.064 5.788 1.00 71.44 H new ATOM 593 N ALA A 39 7.219 -3.859 7.886 1.00 74.51 N ATOM 594 CA ALA A 39 7.209 -2.776 8.855 1.00 70.32 C ATOM 595 C ALA A 39 6.186 -2.990 9.994 1.00 20.32 C ATOM 596 O ALA A 39 6.390 -2.497 11.109 1.00 54.53 O ATOM 597 CB ALA A 39 6.960 -1.448 8.164 1.00 55.52 C ATOM 0 H ALA A 39 6.829 -3.616 6.975 1.00 74.51 H new ATOM 0 HA ALA A 39 8.195 -2.766 9.319 1.00 70.32 H new ATOM 0 HB1 ALA A 39 6.956 -0.648 8.904 1.00 55.52 H new ATOM 0 HB2 ALA A 39 7.749 -1.264 7.435 1.00 55.52 H new ATOM 0 HB3 ALA A 39 5.996 -1.477 7.656 1.00 55.52 H new ATOM 603 N ALA A 40 5.109 -3.729 9.729 1.00 1.41 N ATOM 604 CA ALA A 40 4.045 -3.896 10.740 1.00 53.03 C ATOM 605 C ALA A 40 3.629 -5.360 10.962 1.00 33.30 C ATOM 606 O ALA A 40 2.835 -5.654 11.853 1.00 61.02 O ATOM 607 CB ALA A 40 2.833 -3.067 10.352 1.00 2.30 C ATOM 0 H ALA A 40 4.944 -4.214 8.847 1.00 1.41 H new ATOM 0 HA ALA A 40 4.459 -3.548 11.686 1.00 53.03 H new ATOM 0 HB1 ALA A 40 2.051 -3.193 11.101 1.00 2.30 H new ATOM 0 HB2 ALA A 40 3.114 -2.015 10.295 1.00 2.30 H new ATOM 0 HB3 ALA A 40 2.463 -3.396 9.381 1.00 2.30 H new ATOM 613 N GLY A 41 4.169 -6.249 10.168 1.00 71.10 N ATOM 614 CA GLY A 41 3.801 -7.654 10.203 1.00 32.02 C ATOM 615 C GLY A 41 2.346 -7.843 9.858 1.00 3.52 C ATOM 616 O GLY A 41 1.594 -8.519 10.582 1.00 5.34 O ATOM 0 H GLY A 41 4.881 -6.024 9.473 1.00 71.10 H new ATOM 0 HA2 GLY A 41 4.420 -8.213 9.501 1.00 32.02 H new ATOM 0 HA3 GLY A 41 3.998 -8.060 11.195 1.00 32.02 H new ATOM 620 N LEU A 42 1.950 -7.225 8.767 1.00 53.32 N ATOM 621 CA LEU A 42 0.601 -7.270 8.270 1.00 23.22 C ATOM 622 C LEU A 42 0.329 -8.720 7.824 1.00 35.22 C ATOM 623 O LEU A 42 1.199 -9.348 7.224 1.00 25.13 O ATOM 624 CB LEU A 42 0.514 -6.277 7.088 1.00 32.03 C ATOM 625 CG LEU A 42 -0.864 -5.754 6.665 1.00 34.32 C ATOM 626 CD1 LEU A 42 -1.778 -6.840 6.154 1.00 40.12 C ATOM 627 CD2 LEU A 42 -1.507 -4.988 7.803 1.00 14.31 C ATOM 0 H LEU A 42 2.577 -6.664 8.190 1.00 53.32 H new ATOM 0 HA LEU A 42 -0.142 -6.988 9.016 1.00 23.22 H new ATOM 0 HB2 LEU A 42 1.133 -5.415 7.335 1.00 32.03 H new ATOM 0 HB3 LEU A 42 0.966 -6.756 6.220 1.00 32.03 H new ATOM 0 HG LEU A 42 -0.704 -5.077 5.826 1.00 34.32 H new ATOM 0 HD11 LEU A 42 -2.737 -6.405 5.871 1.00 40.12 H new ATOM 0 HD12 LEU A 42 -1.325 -7.317 5.285 1.00 40.12 H new ATOM 0 HD13 LEU A 42 -1.933 -7.583 6.936 1.00 40.12 H new ATOM 0 HD21 LEU A 42 -2.485 -4.622 7.489 1.00 14.31 H new ATOM 0 HD22 LEU A 42 -1.625 -5.646 8.664 1.00 14.31 H new ATOM 0 HD23 LEU A 42 -0.874 -4.143 8.076 1.00 14.31 H new ATOM 639 N HIS A 43 -0.846 -9.243 8.126 1.00 21.02 N ATOM 640 CA HIS A 43 -1.146 -10.650 7.839 1.00 63.44 C ATOM 641 C HIS A 43 -1.175 -10.987 6.353 1.00 0.41 C ATOM 642 O HIS A 43 -0.467 -11.899 5.914 1.00 72.04 O ATOM 643 CB HIS A 43 -2.407 -11.160 8.563 1.00 24.41 C ATOM 644 CG HIS A 43 -2.269 -11.252 10.060 1.00 72.02 C ATOM 645 ND1 HIS A 43 -2.319 -12.441 10.751 1.00 0.22 N ATOM 646 CD2 HIS A 43 -2.114 -10.294 10.998 1.00 33.20 C ATOM 647 CE1 HIS A 43 -2.200 -12.206 12.038 1.00 2.13 C ATOM 648 NE2 HIS A 43 -2.075 -10.914 12.212 1.00 50.42 N ATOM 0 H HIS A 43 -1.608 -8.727 8.566 1.00 21.02 H new ATOM 0 HA HIS A 43 -0.298 -11.195 8.254 1.00 63.44 H new ATOM 0 HB2 HIS A 43 -3.240 -10.498 8.327 1.00 24.41 H new ATOM 0 HB3 HIS A 43 -2.662 -12.145 8.172 1.00 24.41 H new ATOM 0 HD2 HIS A 43 -2.035 -9.232 10.820 1.00 33.20 H new ATOM 0 HE1 HIS A 43 -2.204 -12.951 12.820 1.00 2.13 H new ATOM 0 HE2 HIS A 43 -1.966 -10.446 13.112 1.00 50.42 H new ATOM 657 N SER A 44 -1.950 -10.267 5.576 1.00 61.34 N ATOM 658 CA SER A 44 -2.056 -10.565 4.164 1.00 42.00 C ATOM 659 C SER A 44 -2.711 -9.421 3.428 1.00 31.20 C ATOM 660 O SER A 44 -3.476 -8.656 4.011 1.00 51.31 O ATOM 661 CB SER A 44 -2.872 -11.850 3.973 1.00 61.12 C ATOM 662 OG SER A 44 -2.966 -12.237 2.612 1.00 15.31 O ATOM 0 H SER A 44 -2.512 -9.477 5.892 1.00 61.34 H new ATOM 0 HA SER A 44 -1.055 -10.706 3.756 1.00 42.00 H new ATOM 0 HB2 SER A 44 -2.413 -12.656 4.546 1.00 61.12 H new ATOM 0 HB3 SER A 44 -3.874 -11.703 4.376 1.00 61.12 H new ATOM 0 HG SER A 44 -3.493 -13.060 2.542 1.00 15.31 H new ATOM 668 N LEU A 45 -2.405 -9.306 2.164 1.00 63.44 N ATOM 669 CA LEU A 45 -2.997 -8.294 1.331 1.00 51.03 C ATOM 670 C LEU A 45 -3.649 -8.949 0.151 1.00 65.32 C ATOM 671 O LEU A 45 -3.146 -9.946 -0.386 1.00 54.32 O ATOM 672 CB LEU A 45 -1.971 -7.282 0.834 1.00 33.14 C ATOM 673 CG LEU A 45 -1.190 -6.503 1.891 1.00 34.41 C ATOM 674 CD1 LEU A 45 -0.149 -5.631 1.221 1.00 73.23 C ATOM 675 CD2 LEU A 45 -2.130 -5.642 2.726 1.00 63.43 C ATOM 0 H LEU A 45 -1.739 -9.910 1.683 1.00 63.44 H new ATOM 0 HA LEU A 45 -3.729 -7.756 1.933 1.00 51.03 H new ATOM 0 HB2 LEU A 45 -1.254 -7.809 0.205 1.00 33.14 H new ATOM 0 HB3 LEU A 45 -2.487 -6.563 0.197 1.00 33.14 H new ATOM 0 HG LEU A 45 -0.694 -7.214 2.552 1.00 34.41 H new ATOM 0 HD11 LEU A 45 0.405 -5.078 1.979 1.00 73.23 H new ATOM 0 HD12 LEU A 45 0.539 -6.257 0.653 1.00 73.23 H new ATOM 0 HD13 LEU A 45 -0.641 -4.930 0.547 1.00 73.23 H new ATOM 0 HD21 LEU A 45 -1.555 -5.095 3.473 1.00 63.43 H new ATOM 0 HD22 LEU A 45 -2.648 -4.935 2.078 1.00 63.43 H new ATOM 0 HD23 LEU A 45 -2.860 -6.279 3.225 1.00 63.43 H new ATOM 687 N GLU A 46 -4.737 -8.401 -0.243 1.00 1.13 N ATOM 688 CA GLU A 46 -5.515 -8.868 -1.349 1.00 2.53 C ATOM 689 C GLU A 46 -6.476 -7.773 -1.707 1.00 62.10 C ATOM 690 O GLU A 46 -6.702 -6.867 -0.892 1.00 61.03 O ATOM 691 CB GLU A 46 -6.245 -10.184 -1.004 1.00 54.34 C ATOM 692 CG GLU A 46 -7.095 -10.123 0.254 1.00 34.53 C ATOM 693 CD GLU A 46 -7.786 -11.427 0.550 1.00 2.02 C ATOM 694 OE1 GLU A 46 -7.197 -12.292 1.227 1.00 22.31 O ATOM 695 OE2 GLU A 46 -8.937 -11.599 0.126 1.00 5.22 O ATOM 0 H GLU A 46 -5.135 -7.578 0.210 1.00 1.13 H new ATOM 0 HA GLU A 46 -4.875 -9.097 -2.201 1.00 2.53 H new ATOM 0 HB2 GLU A 46 -6.881 -10.462 -1.844 1.00 54.34 H new ATOM 0 HB3 GLU A 46 -5.505 -10.976 -0.889 1.00 54.34 H new ATOM 0 HG2 GLU A 46 -6.465 -9.850 1.101 1.00 34.53 H new ATOM 0 HG3 GLU A 46 -7.842 -9.337 0.145 1.00 34.53 H new ATOM 702 N GLU A 47 -7.029 -7.829 -2.876 1.00 55.14 N ATOM 703 CA GLU A 47 -7.901 -6.775 -3.339 1.00 73.24 C ATOM 704 C GLU A 47 -9.202 -6.751 -2.565 1.00 55.44 C ATOM 705 O GLU A 47 -9.648 -7.772 -2.022 1.00 10.54 O ATOM 706 CB GLU A 47 -8.168 -6.842 -4.855 1.00 60.33 C ATOM 707 CG GLU A 47 -8.850 -8.113 -5.352 1.00 54.54 C ATOM 708 CD GLU A 47 -7.996 -9.351 -5.213 1.00 13.45 C ATOM 709 OE1 GLU A 47 -7.108 -9.560 -6.041 1.00 65.31 O ATOM 710 OE2 GLU A 47 -8.176 -10.114 -4.255 1.00 61.04 O ATOM 0 H GLU A 47 -6.897 -8.594 -3.537 1.00 55.14 H new ATOM 0 HA GLU A 47 -7.372 -5.841 -3.151 1.00 73.24 H new ATOM 0 HB2 GLU A 47 -8.785 -5.988 -5.135 1.00 60.33 H new ATOM 0 HB3 GLU A 47 -7.218 -6.734 -5.378 1.00 60.33 H new ATOM 0 HG2 GLU A 47 -9.778 -8.258 -4.799 1.00 54.54 H new ATOM 0 HG3 GLU A 47 -9.121 -7.984 -6.400 1.00 54.54 H new ATOM 717 N GLY A 48 -9.791 -5.594 -2.506 1.00 2.34 N ATOM 718 CA GLY A 48 -11.031 -5.421 -1.778 1.00 33.22 C ATOM 719 C GLY A 48 -10.811 -5.088 -0.308 1.00 64.32 C ATOM 720 O GLY A 48 -11.764 -4.816 0.424 1.00 24.34 O ATOM 0 H GLY A 48 -9.438 -4.747 -2.952 1.00 2.34 H new ATOM 0 HA2 GLY A 48 -11.612 -4.625 -2.243 1.00 33.22 H new ATOM 0 HA3 GLY A 48 -11.622 -6.333 -1.855 1.00 33.22 H new ATOM 724 N GLN A 49 -9.564 -5.115 0.124 1.00 12.11 N ATOM 725 CA GLN A 49 -9.206 -4.839 1.497 1.00 73.25 C ATOM 726 C GLN A 49 -8.847 -3.400 1.712 1.00 71.14 C ATOM 727 O GLN A 49 -7.906 -2.901 1.109 1.00 52.13 O ATOM 728 CB GLN A 49 -8.034 -5.715 1.901 1.00 54.20 C ATOM 729 CG GLN A 49 -8.388 -7.170 2.057 1.00 3.05 C ATOM 730 CD GLN A 49 -8.996 -7.530 3.411 1.00 64.52 C ATOM 731 OE1 GLN A 49 -8.837 -8.660 3.877 1.00 2.54 O ATOM 732 NE2 GLN A 49 -9.675 -6.609 4.053 1.00 41.11 N ATOM 0 H GLN A 49 -8.767 -5.331 -0.475 1.00 12.11 H new ATOM 0 HA GLN A 49 -10.078 -5.058 2.113 1.00 73.25 H new ATOM 0 HB2 GLN A 49 -7.247 -5.620 1.153 1.00 54.20 H new ATOM 0 HB3 GLN A 49 -7.625 -5.347 2.842 1.00 54.20 H new ATOM 0 HG2 GLN A 49 -9.091 -7.446 1.272 1.00 3.05 H new ATOM 0 HG3 GLN A 49 -7.490 -7.768 1.905 1.00 3.05 H new ATOM 0 HE21 GLN A 49 -9.791 -5.682 3.643 1.00 41.11 H new ATOM 0 HE22 GLN A 49 -10.087 -6.820 4.962 1.00 41.11 H new ATOM 741 N ASP A 50 -9.592 -2.732 2.562 1.00 41.45 N ATOM 742 CA ASP A 50 -9.237 -1.361 2.932 1.00 34.24 C ATOM 743 C ASP A 50 -8.028 -1.372 3.809 1.00 61.54 C ATOM 744 O ASP A 50 -7.925 -2.193 4.746 1.00 1.34 O ATOM 745 CB ASP A 50 -10.353 -0.575 3.617 1.00 33.03 C ATOM 746 CG ASP A 50 -11.461 -0.131 2.702 1.00 50.23 C ATOM 747 OD1 ASP A 50 -11.229 0.747 1.861 1.00 62.04 O ATOM 748 OD2 ASP A 50 -12.593 -0.623 2.839 1.00 71.41 O ATOM 0 H ASP A 50 -10.433 -3.097 3.008 1.00 41.45 H new ATOM 0 HA ASP A 50 -9.040 -0.845 1.992 1.00 34.24 H new ATOM 0 HB2 ASP A 50 -10.779 -1.190 4.409 1.00 33.03 H new ATOM 0 HB3 ASP A 50 -9.920 0.304 4.094 1.00 33.03 H new ATOM 753 N VAL A 51 -7.129 -0.485 3.543 1.00 73.12 N ATOM 754 CA VAL A 51 -5.900 -0.460 4.237 1.00 5.21 C ATOM 755 C VAL A 51 -5.488 0.974 4.559 1.00 74.31 C ATOM 756 O VAL A 51 -5.894 1.931 3.899 1.00 62.02 O ATOM 757 CB VAL A 51 -4.800 -1.205 3.428 1.00 35.32 C ATOM 758 CG1 VAL A 51 -4.450 -0.499 2.116 1.00 30.24 C ATOM 759 CG2 VAL A 51 -3.578 -1.500 4.271 1.00 24.51 C ATOM 0 H VAL A 51 -7.233 0.242 2.835 1.00 73.12 H new ATOM 0 HA VAL A 51 -6.026 -0.984 5.184 1.00 5.21 H new ATOM 0 HB VAL A 51 -5.225 -2.168 3.144 1.00 35.32 H new ATOM 0 HG11 VAL A 51 -3.677 -1.063 1.594 1.00 30.24 H new ATOM 0 HG12 VAL A 51 -5.339 -0.435 1.489 1.00 30.24 H new ATOM 0 HG13 VAL A 51 -4.084 0.505 2.330 1.00 30.24 H new ATOM 0 HG21 VAL A 51 -2.836 -2.021 3.666 1.00 24.51 H new ATOM 0 HG22 VAL A 51 -3.155 -0.565 4.639 1.00 24.51 H new ATOM 0 HG23 VAL A 51 -3.862 -2.127 5.116 1.00 24.51 H new ATOM 769 N ILE A 52 -4.742 1.096 5.581 1.00 65.31 N ATOM 770 CA ILE A 52 -4.238 2.339 6.074 1.00 31.00 C ATOM 771 C ILE A 52 -2.740 2.287 5.920 1.00 30.04 C ATOM 772 O ILE A 52 -2.131 1.252 6.220 1.00 75.30 O ATOM 773 CB ILE A 52 -4.561 2.450 7.575 1.00 23.10 C ATOM 774 CG1 ILE A 52 -6.070 2.287 7.801 1.00 1.23 C ATOM 775 CG2 ILE A 52 -4.048 3.778 8.145 1.00 43.41 C ATOM 776 CD1 ILE A 52 -6.468 2.127 9.248 1.00 30.22 C ATOM 0 H ILE A 52 -4.442 0.296 6.137 1.00 65.31 H new ATOM 0 HA ILE A 52 -4.675 3.182 5.539 1.00 31.00 H new ATOM 0 HB ILE A 52 -4.049 1.648 8.107 1.00 23.10 H new ATOM 0 HG12 ILE A 52 -6.583 3.156 7.389 1.00 1.23 H new ATOM 0 HG13 ILE A 52 -6.417 1.418 7.243 1.00 1.23 H new ATOM 0 HG21 ILE A 52 -4.287 3.835 9.207 1.00 43.41 H new ATOM 0 HG22 ILE A 52 -2.968 3.838 8.013 1.00 43.41 H new ATOM 0 HG23 ILE A 52 -4.524 4.607 7.621 1.00 43.41 H new ATOM 0 HD11 ILE A 52 -7.550 2.018 9.318 1.00 30.22 H new ATOM 0 HD12 ILE A 52 -5.987 1.241 9.662 1.00 30.22 H new ATOM 0 HD13 ILE A 52 -6.155 3.006 9.811 1.00 30.22 H new ATOM 788 N PHE A 53 -2.148 3.341 5.437 1.00 62.43 N ATOM 789 CA PHE A 53 -0.707 3.357 5.289 1.00 52.45 C ATOM 790 C PHE A 53 -0.186 4.756 5.360 1.00 43.12 C ATOM 791 O PHE A 53 -0.966 5.719 5.475 1.00 4.01 O ATOM 792 CB PHE A 53 -0.288 2.727 3.945 1.00 52.45 C ATOM 793 CG PHE A 53 -0.886 3.390 2.735 1.00 55.00 C ATOM 794 CD1 PHE A 53 -2.157 3.060 2.307 1.00 74.42 C ATOM 795 CD2 PHE A 53 -0.172 4.338 2.023 1.00 32.45 C ATOM 796 CE1 PHE A 53 -2.700 3.656 1.206 1.00 2.23 C ATOM 797 CE2 PHE A 53 -0.710 4.930 0.915 1.00 1.32 C ATOM 798 CZ PHE A 53 -1.977 4.590 0.505 1.00 43.41 C ATOM 0 H PHE A 53 -2.625 4.193 5.141 1.00 62.43 H new ATOM 0 HA PHE A 53 -0.283 2.773 6.106 1.00 52.45 H new ATOM 0 HB2 PHE A 53 0.798 2.763 3.864 1.00 52.45 H new ATOM 0 HB3 PHE A 53 -0.573 1.675 3.946 1.00 52.45 H new ATOM 0 HD1 PHE A 53 -2.728 2.321 2.850 1.00 74.42 H new ATOM 0 HD2 PHE A 53 0.821 4.613 2.347 1.00 32.45 H new ATOM 0 HE1 PHE A 53 -3.698 3.393 0.886 1.00 2.23 H new ATOM 0 HE2 PHE A 53 -0.141 5.663 0.363 1.00 1.32 H new ATOM 0 HZ PHE A 53 -2.405 5.058 -0.369 1.00 43.41 H new ATOM 808 N ASP A 54 1.113 4.874 5.286 1.00 75.44 N ATOM 809 CA ASP A 54 1.754 6.138 5.194 1.00 4.24 C ATOM 810 C ASP A 54 2.495 6.132 3.891 1.00 74.13 C ATOM 811 O ASP A 54 2.791 5.055 3.350 1.00 33.41 O ATOM 812 CB ASP A 54 2.704 6.415 6.378 1.00 13.41 C ATOM 813 CG ASP A 54 1.995 6.450 7.729 1.00 41.43 C ATOM 814 OD1 ASP A 54 1.185 7.367 7.983 1.00 1.33 O ATOM 815 OD2 ASP A 54 2.257 5.574 8.572 1.00 45.45 O ATOM 0 H ASP A 54 1.754 4.080 5.289 1.00 75.44 H new ATOM 0 HA ASP A 54 1.016 6.939 5.236 1.00 4.24 H new ATOM 0 HB2 ASP A 54 3.477 5.647 6.401 1.00 13.41 H new ATOM 0 HB3 ASP A 54 3.207 7.368 6.215 1.00 13.41 H new ATOM 820 N LEU A 55 2.781 7.268 3.370 1.00 11.12 N ATOM 821 CA LEU A 55 3.380 7.357 2.059 1.00 63.23 C ATOM 822 C LEU A 55 4.518 8.331 2.030 1.00 34.43 C ATOM 823 O LEU A 55 4.451 9.383 2.626 1.00 12.41 O ATOM 824 CB LEU A 55 2.279 7.741 1.058 1.00 4.52 C ATOM 825 CG LEU A 55 2.646 8.152 -0.373 1.00 71.44 C ATOM 826 CD1 LEU A 55 3.510 7.132 -1.016 1.00 54.21 C ATOM 827 CD2 LEU A 55 1.372 8.329 -1.197 1.00 24.15 C ATOM 0 H LEU A 55 2.614 8.166 3.824 1.00 11.12 H new ATOM 0 HA LEU A 55 3.808 6.392 1.786 1.00 63.23 H new ATOM 0 HB2 LEU A 55 1.598 6.893 0.986 1.00 4.52 H new ATOM 0 HB3 LEU A 55 1.717 8.565 1.497 1.00 4.52 H new ATOM 0 HG LEU A 55 3.196 9.092 -0.329 1.00 71.44 H new ATOM 0 HD11 LEU A 55 3.755 7.449 -2.030 1.00 54.21 H new ATOM 0 HD12 LEU A 55 4.428 7.017 -0.440 1.00 54.21 H new ATOM 0 HD13 LEU A 55 2.983 6.179 -1.052 1.00 54.21 H new ATOM 0 HD21 LEU A 55 1.634 8.621 -2.214 1.00 24.15 H new ATOM 0 HD22 LEU A 55 0.820 7.389 -1.220 1.00 24.15 H new ATOM 0 HD23 LEU A 55 0.751 9.103 -0.746 1.00 24.15 H new ATOM 839 N GLU A 56 5.557 7.953 1.363 1.00 51.12 N ATOM 840 CA GLU A 56 6.691 8.806 1.140 1.00 25.13 C ATOM 841 C GLU A 56 6.965 8.818 -0.346 1.00 34.22 C ATOM 842 O GLU A 56 6.643 7.852 -1.057 1.00 22.43 O ATOM 843 CB GLU A 56 7.930 8.356 1.952 1.00 42.22 C ATOM 844 CG GLU A 56 9.176 9.244 1.753 1.00 3.40 C ATOM 845 CD GLU A 56 8.956 10.706 2.135 1.00 25.23 C ATOM 846 OE1 GLU A 56 8.328 11.459 1.350 1.00 63.13 O ATOM 847 OE2 GLU A 56 9.405 11.118 3.222 1.00 54.15 O ATOM 0 H GLU A 56 5.650 7.026 0.947 1.00 51.12 H new ATOM 0 HA GLU A 56 6.470 9.815 1.489 1.00 25.13 H new ATOM 0 HB2 GLU A 56 7.672 8.345 3.011 1.00 42.22 H new ATOM 0 HB3 GLU A 56 8.180 7.332 1.674 1.00 42.22 H new ATOM 0 HG2 GLU A 56 9.996 8.842 2.348 1.00 3.40 H new ATOM 0 HG3 GLU A 56 9.484 9.193 0.709 1.00 3.40 H new ATOM 854 N GLU A 57 7.515 9.884 -0.814 1.00 3.23 N ATOM 855 CA GLU A 57 7.740 10.067 -2.207 1.00 71.33 C ATOM 856 C GLU A 57 9.116 9.540 -2.614 1.00 43.23 C ATOM 857 O GLU A 57 10.148 9.987 -2.107 1.00 10.23 O ATOM 858 CB GLU A 57 7.592 11.538 -2.532 1.00 3.33 C ATOM 859 CG GLU A 57 7.700 11.889 -3.989 1.00 21.41 C ATOM 860 CD GLU A 57 7.546 13.359 -4.196 1.00 44.13 C ATOM 861 OE1 GLU A 57 6.406 13.825 -4.374 1.00 21.13 O ATOM 862 OE2 GLU A 57 8.558 14.077 -4.152 1.00 31.43 O ATOM 0 H GLU A 57 7.825 10.663 -0.234 1.00 3.23 H new ATOM 0 HA GLU A 57 7.004 9.498 -2.776 1.00 71.33 H new ATOM 0 HB2 GLU A 57 6.624 11.879 -2.164 1.00 3.33 H new ATOM 0 HB3 GLU A 57 8.354 12.092 -1.984 1.00 3.33 H new ATOM 0 HG2 GLU A 57 8.666 11.563 -4.375 1.00 21.41 H new ATOM 0 HG3 GLU A 57 6.935 11.356 -4.553 1.00 21.41 H new ATOM 869 N LYS A 58 9.113 8.595 -3.524 1.00 11.33 N ATOM 870 CA LYS A 58 10.321 8.007 -4.055 1.00 63.24 C ATOM 871 C LYS A 58 10.757 8.795 -5.278 1.00 21.42 C ATOM 872 O LYS A 58 10.500 8.398 -6.428 1.00 53.13 O ATOM 873 CB LYS A 58 10.102 6.515 -4.398 1.00 73.13 C ATOM 874 CG LYS A 58 11.300 5.792 -5.008 1.00 24.22 C ATOM 875 CD LYS A 58 10.965 4.336 -5.305 1.00 23.11 C ATOM 876 CE LYS A 58 12.153 3.605 -5.907 1.00 51.13 C ATOM 877 NZ LYS A 58 11.849 2.178 -6.190 1.00 12.13 N ATOM 0 H LYS A 58 8.258 8.207 -3.923 1.00 11.33 H new ATOM 0 HA LYS A 58 11.109 8.051 -3.303 1.00 63.24 H new ATOM 0 HB2 LYS A 58 9.810 5.991 -3.488 1.00 73.13 H new ATOM 0 HB3 LYS A 58 9.264 6.440 -5.091 1.00 73.13 H new ATOM 0 HG2 LYS A 58 11.603 6.294 -5.927 1.00 24.22 H new ATOM 0 HG3 LYS A 58 12.147 5.842 -4.323 1.00 24.22 H new ATOM 0 HD2 LYS A 58 10.657 3.837 -4.386 1.00 23.11 H new ATOM 0 HD3 LYS A 58 10.120 4.288 -5.992 1.00 23.11 H new ATOM 0 HE2 LYS A 58 12.453 4.101 -6.830 1.00 51.13 H new ATOM 0 HE3 LYS A 58 13.000 3.666 -5.223 1.00 51.13 H new ATOM 0 HZ1 LYS A 58 12.688 1.719 -6.600 1.00 12.13 H new ATOM 0 HZ2 LYS A 58 11.588 1.697 -5.306 1.00 12.13 H new ATOM 0 HZ3 LYS A 58 11.058 2.118 -6.863 1.00 12.13 H new ATOM 891 N GLN A 59 11.298 9.981 -5.015 1.00 22.14 N ATOM 892 CA GLN A 59 11.811 10.906 -6.043 1.00 32.44 C ATOM 893 C GLN A 59 10.720 11.373 -7.044 1.00 73.03 C ATOM 894 O GLN A 59 11.018 12.055 -8.023 1.00 60.53 O ATOM 895 CB GLN A 59 13.004 10.291 -6.788 1.00 64.43 C ATOM 896 CG GLN A 59 14.188 9.953 -5.894 1.00 72.22 C ATOM 897 CD GLN A 59 15.373 9.367 -6.651 1.00 20.42 C ATOM 898 OE1 GLN A 59 16.131 8.558 -6.106 1.00 23.40 O ATOM 899 NE2 GLN A 59 15.557 9.768 -7.889 1.00 13.34 N ATOM 0 H GLN A 59 11.398 10.341 -4.066 1.00 22.14 H new ATOM 0 HA GLN A 59 12.146 11.797 -5.512 1.00 32.44 H new ATOM 0 HB2 GLN A 59 12.674 9.384 -7.294 1.00 64.43 H new ATOM 0 HB3 GLN A 59 13.333 10.985 -7.561 1.00 64.43 H new ATOM 0 HG2 GLN A 59 14.510 10.855 -5.374 1.00 72.22 H new ATOM 0 HG3 GLN A 59 13.867 9.243 -5.132 1.00 72.22 H new ATOM 0 HE21 GLN A 59 14.912 10.437 -8.309 1.00 13.34 H new ATOM 0 HE22 GLN A 59 16.345 9.410 -8.429 1.00 13.34 H new ATOM 908 N GLY A 60 9.474 11.039 -6.764 1.00 11.12 N ATOM 909 CA GLY A 60 8.379 11.382 -7.650 1.00 64.21 C ATOM 910 C GLY A 60 7.368 10.258 -7.715 1.00 13.31 C ATOM 911 O GLY A 60 6.194 10.473 -8.020 1.00 40.32 O ATOM 0 H GLY A 60 9.195 10.528 -5.926 1.00 11.12 H new ATOM 0 HA2 GLY A 60 7.894 12.293 -7.300 1.00 64.21 H new ATOM 0 HA3 GLY A 60 8.764 11.589 -8.648 1.00 64.21 H new ATOM 915 N LYS A 61 7.840 9.055 -7.422 1.00 15.42 N ATOM 916 CA LYS A 61 7.016 7.865 -7.390 1.00 61.02 C ATOM 917 C LYS A 61 6.434 7.724 -5.970 1.00 33.11 C ATOM 918 O LYS A 61 6.938 8.342 -5.040 1.00 41.31 O ATOM 919 CB LYS A 61 7.895 6.648 -7.759 1.00 71.45 C ATOM 920 CG LYS A 61 7.163 5.316 -7.884 1.00 32.21 C ATOM 921 CD LYS A 61 6.127 5.330 -9.004 1.00 61.04 C ATOM 922 CE LYS A 61 6.764 5.563 -10.366 1.00 42.50 C ATOM 923 NZ LYS A 61 5.769 5.539 -11.450 1.00 21.33 N ATOM 0 H LYS A 61 8.820 8.880 -7.197 1.00 15.42 H new ATOM 0 HA LYS A 61 6.195 7.926 -8.104 1.00 61.02 H new ATOM 0 HB2 LYS A 61 8.394 6.857 -8.705 1.00 71.45 H new ATOM 0 HB3 LYS A 61 8.674 6.544 -7.004 1.00 71.45 H new ATOM 0 HG2 LYS A 61 7.886 4.522 -8.070 1.00 32.21 H new ATOM 0 HG3 LYS A 61 6.671 5.084 -6.939 1.00 32.21 H new ATOM 0 HD2 LYS A 61 5.589 4.382 -9.013 1.00 61.04 H new ATOM 0 HD3 LYS A 61 5.392 6.111 -8.809 1.00 61.04 H new ATOM 0 HE2 LYS A 61 7.278 6.524 -10.366 1.00 42.50 H new ATOM 0 HE3 LYS A 61 7.519 4.798 -10.549 1.00 42.50 H new ATOM 0 HZ1 LYS A 61 6.244 5.702 -12.361 1.00 21.33 H new ATOM 0 HZ2 LYS A 61 5.296 4.613 -11.467 1.00 21.33 H new ATOM 0 HZ3 LYS A 61 5.063 6.285 -11.290 1.00 21.33 H new ATOM 937 N ALA A 62 5.400 6.938 -5.801 1.00 14.12 N ATOM 938 CA ALA A 62 4.763 6.806 -4.505 1.00 60.14 C ATOM 939 C ALA A 62 4.783 5.352 -4.014 1.00 24.14 C ATOM 940 O ALA A 62 4.357 4.454 -4.735 1.00 12.41 O ATOM 941 CB ALA A 62 3.329 7.312 -4.611 1.00 71.33 C ATOM 0 H ALA A 62 4.978 6.378 -6.542 1.00 14.12 H new ATOM 0 HA ALA A 62 5.316 7.400 -3.777 1.00 60.14 H new ATOM 0 HB1 ALA A 62 2.838 7.218 -3.643 1.00 71.33 H new ATOM 0 HB2 ALA A 62 3.334 8.359 -4.916 1.00 71.33 H new ATOM 0 HB3 ALA A 62 2.788 6.721 -5.351 1.00 71.33 H new ATOM 947 N TYR A 63 5.273 5.129 -2.783 1.00 42.25 N ATOM 948 CA TYR A 63 5.281 3.788 -2.176 1.00 33.42 C ATOM 949 C TYR A 63 4.641 3.794 -0.788 1.00 2.34 C ATOM 950 O TYR A 63 4.932 4.657 0.053 1.00 22.30 O ATOM 951 CB TYR A 63 6.682 3.184 -2.104 1.00 1.14 C ATOM 952 CG TYR A 63 7.681 3.951 -1.256 1.00 32.35 C ATOM 953 CD1 TYR A 63 8.326 5.076 -1.737 1.00 15.33 C ATOM 954 CD2 TYR A 63 7.970 3.536 0.032 1.00 41.01 C ATOM 955 CE1 TYR A 63 9.235 5.765 -0.953 1.00 11.41 C ATOM 956 CE2 TYR A 63 8.871 4.215 0.818 1.00 23.41 C ATOM 957 CZ TYR A 63 9.499 5.325 0.326 1.00 14.21 C ATOM 958 OH TYR A 63 10.400 6.001 1.117 1.00 50.13 O ATOM 0 H TYR A 63 5.668 5.859 -2.190 1.00 42.25 H new ATOM 0 HA TYR A 63 4.683 3.158 -2.834 1.00 33.42 H new ATOM 0 HB2 TYR A 63 6.602 2.170 -1.712 1.00 1.14 H new ATOM 0 HB3 TYR A 63 7.077 3.104 -3.117 1.00 1.14 H new ATOM 0 HD1 TYR A 63 8.117 5.422 -2.739 1.00 15.33 H new ATOM 0 HD2 TYR A 63 7.477 2.660 0.428 1.00 41.01 H new ATOM 0 HE1 TYR A 63 9.734 6.641 -1.341 1.00 11.41 H new ATOM 0 HE2 TYR A 63 9.082 3.873 1.820 1.00 23.41 H new ATOM 0 HH TYR A 63 10.467 5.558 1.989 1.00 50.13 H new ATOM 968 N ALA A 64 3.777 2.852 -0.576 1.00 63.21 N ATOM 969 CA ALA A 64 3.038 2.706 0.671 1.00 54.31 C ATOM 970 C ALA A 64 3.852 1.947 1.689 1.00 14.24 C ATOM 971 O ALA A 64 4.502 0.935 1.366 1.00 51.24 O ATOM 972 CB ALA A 64 1.715 1.996 0.409 1.00 12.25 C ATOM 0 H ALA A 64 3.550 2.140 -1.270 1.00 63.21 H new ATOM 0 HA ALA A 64 2.834 3.698 1.074 1.00 54.31 H new ATOM 0 HB1 ALA A 64 1.167 1.890 1.345 1.00 12.25 H new ATOM 0 HB2 ALA A 64 1.122 2.580 -0.294 1.00 12.25 H new ATOM 0 HB3 ALA A 64 1.909 1.009 -0.012 1.00 12.25 H new ATOM 978 N VAL A 65 3.822 2.438 2.906 1.00 65.12 N ATOM 979 CA VAL A 65 4.536 1.853 4.026 1.00 51.11 C ATOM 980 C VAL A 65 3.674 1.900 5.260 1.00 50.42 C ATOM 981 O VAL A 65 2.653 2.578 5.264 1.00 53.32 O ATOM 982 CB VAL A 65 5.900 2.556 4.328 1.00 0.44 C ATOM 983 CG1 VAL A 65 6.881 2.374 3.191 1.00 1.13 C ATOM 984 CG2 VAL A 65 5.709 4.040 4.632 1.00 31.31 C ATOM 0 H VAL A 65 3.291 3.273 3.154 1.00 65.12 H new ATOM 0 HA VAL A 65 4.760 0.824 3.746 1.00 51.11 H new ATOM 0 HB VAL A 65 6.315 2.078 5.215 1.00 0.44 H new ATOM 0 HG11 VAL A 65 7.818 2.875 3.435 1.00 1.13 H new ATOM 0 HG12 VAL A 65 7.067 1.311 3.038 1.00 1.13 H new ATOM 0 HG13 VAL A 65 6.466 2.804 2.280 1.00 1.13 H new ATOM 0 HG21 VAL A 65 6.677 4.497 4.837 1.00 31.31 H new ATOM 0 HG22 VAL A 65 5.251 4.531 3.774 1.00 31.31 H new ATOM 0 HG23 VAL A 65 5.063 4.153 5.503 1.00 31.31 H new ATOM 994 N ASN A 66 4.093 1.178 6.302 1.00 42.10 N ATOM 995 CA ASN A 66 3.387 1.126 7.597 1.00 44.44 C ATOM 996 C ASN A 66 1.942 0.683 7.399 1.00 20.21 C ATOM 997 O ASN A 66 1.001 1.452 7.619 1.00 54.12 O ATOM 998 CB ASN A 66 3.411 2.487 8.299 1.00 43.41 C ATOM 999 CG ASN A 66 2.912 2.414 9.741 1.00 53.40 C ATOM 1000 OD1 ASN A 66 3.084 1.391 10.440 1.00 21.21 O ATOM 1001 ND2 ASN A 66 2.296 3.472 10.194 1.00 42.43 N ATOM 0 H ASN A 66 4.938 0.607 6.277 1.00 42.10 H new ATOM 0 HA ASN A 66 3.906 0.402 8.225 1.00 44.44 H new ATOM 0 HB2 ASN A 66 4.428 2.878 8.290 1.00 43.41 H new ATOM 0 HB3 ASN A 66 2.794 3.191 7.740 1.00 43.41 H new ATOM 0 HD21 ASN A 66 1.936 3.483 11.148 1.00 42.43 H new ATOM 0 HD22 ASN A 66 2.175 4.288 9.594 1.00 42.43 H new ATOM 1008 N LEU A 67 1.758 -0.516 6.928 1.00 73.34 N ATOM 1009 CA LEU A 67 0.422 -0.951 6.624 1.00 75.33 C ATOM 1010 C LEU A 67 -0.348 -1.367 7.837 1.00 72.14 C ATOM 1011 O LEU A 67 0.176 -1.998 8.753 1.00 22.23 O ATOM 1012 CB LEU A 67 0.382 -2.071 5.616 1.00 34.33 C ATOM 1013 CG LEU A 67 1.026 -1.830 4.270 1.00 65.11 C ATOM 1014 CD1 LEU A 67 0.654 -2.929 3.368 1.00 51.23 C ATOM 1015 CD2 LEU A 67 0.620 -0.505 3.669 1.00 51.02 C ATOM 0 H LEU A 67 2.495 -1.198 6.749 1.00 73.34 H new ATOM 0 HA LEU A 67 -0.053 -0.071 6.191 1.00 75.33 H new ATOM 0 HB2 LEU A 67 0.859 -2.943 6.064 1.00 34.33 H new ATOM 0 HB3 LEU A 67 -0.663 -2.332 5.446 1.00 34.33 H new ATOM 0 HG LEU A 67 2.107 -1.796 4.408 1.00 65.11 H new ATOM 0 HD11 LEU A 67 1.112 -2.769 2.392 1.00 51.23 H new ATOM 0 HD12 LEU A 67 1.004 -3.874 3.783 1.00 51.23 H new ATOM 0 HD13 LEU A 67 -0.430 -2.960 3.260 1.00 51.23 H new ATOM 0 HD21 LEU A 67 1.109 -0.379 2.703 1.00 51.02 H new ATOM 0 HD22 LEU A 67 -0.461 -0.483 3.534 1.00 51.02 H new ATOM 0 HD23 LEU A 67 0.919 0.304 4.336 1.00 51.02 H new ATOM 1027 N ARG A 68 -1.582 -1.014 7.822 1.00 13.11 N ATOM 1028 CA ARG A 68 -2.517 -1.387 8.822 1.00 61.20 C ATOM 1029 C ARG A 68 -3.810 -1.660 8.098 1.00 41.13 C ATOM 1030 O ARG A 68 -4.228 -0.858 7.296 1.00 1.33 O ATOM 1031 CB ARG A 68 -2.708 -0.216 9.805 1.00 73.11 C ATOM 1032 CG ARG A 68 -3.661 -0.474 10.939 1.00 41.54 C ATOM 1033 CD ARG A 68 -3.103 -1.534 11.837 1.00 33.21 C ATOM 1034 NE ARG A 68 -1.809 -1.137 12.392 1.00 23.14 N ATOM 1035 CZ ARG A 68 -0.835 -1.980 12.738 1.00 71.03 C ATOM 1036 NH1 ARG A 68 -0.996 -3.288 12.567 1.00 70.10 N ATOM 1037 NH2 ARG A 68 0.305 -1.505 13.231 1.00 72.53 N ATOM 0 H ARG A 68 -1.984 -0.435 7.085 1.00 13.11 H new ATOM 0 HA ARG A 68 -2.183 -2.257 9.388 1.00 61.20 H new ATOM 0 HB2 ARG A 68 -1.736 0.048 10.222 1.00 73.11 H new ATOM 0 HB3 ARG A 68 -3.061 0.651 9.246 1.00 73.11 H new ATOM 0 HG2 ARG A 68 -3.827 0.444 11.503 1.00 41.54 H new ATOM 0 HG3 ARG A 68 -4.629 -0.787 10.549 1.00 41.54 H new ATOM 0 HD2 ARG A 68 -3.804 -1.731 12.648 1.00 33.21 H new ATOM 0 HD3 ARG A 68 -2.991 -2.464 11.279 1.00 33.21 H new ATOM 0 HE ARG A 68 -1.639 -0.140 12.524 1.00 23.14 H new ATOM 0 HH11 ARG A 68 -1.865 -3.647 12.171 1.00 70.10 H new ATOM 0 HH12 ARG A 68 -0.251 -3.932 12.832 1.00 70.10 H new ATOM 0 HH21 ARG A 68 0.432 -0.499 13.343 1.00 72.53 H new ATOM 0 HH22 ARG A 68 1.052 -2.146 13.497 1.00 72.53 H new ATOM 1051 N ILE A 69 -4.433 -2.756 8.348 1.00 50.22 N ATOM 1052 CA ILE A 69 -5.678 -3.019 7.679 1.00 73.12 C ATOM 1053 C ILE A 69 -6.853 -2.495 8.452 1.00 72.25 C ATOM 1054 O ILE A 69 -6.783 -2.372 9.679 1.00 1.03 O ATOM 1055 CB ILE A 69 -5.873 -4.507 7.215 1.00 52.05 C ATOM 1056 CG1 ILE A 69 -5.507 -5.545 8.295 1.00 51.34 C ATOM 1057 CG2 ILE A 69 -5.131 -4.784 5.924 1.00 50.03 C ATOM 1058 CD1 ILE A 69 -6.381 -5.537 9.518 1.00 32.32 C ATOM 0 H ILE A 69 -4.118 -3.479 8.996 1.00 50.22 H new ATOM 0 HA ILE A 69 -5.622 -2.455 6.748 1.00 73.12 H new ATOM 0 HB ILE A 69 -6.942 -4.622 7.035 1.00 52.05 H new ATOM 0 HG12 ILE A 69 -5.545 -6.538 7.848 1.00 51.34 H new ATOM 0 HG13 ILE A 69 -4.476 -5.374 8.605 1.00 51.34 H new ATOM 0 HG21 ILE A 69 -5.287 -5.822 5.630 1.00 50.03 H new ATOM 0 HG22 ILE A 69 -5.506 -4.125 5.140 1.00 50.03 H new ATOM 0 HG23 ILE A 69 -4.066 -4.604 6.071 1.00 50.03 H new ATOM 0 HD11 ILE A 69 -6.040 -6.303 10.214 1.00 32.32 H new ATOM 0 HD12 ILE A 69 -6.326 -4.560 9.998 1.00 32.32 H new ATOM 0 HD13 ILE A 69 -7.412 -5.742 9.230 1.00 32.32 H new ATOM 1070 N LYS A 70 -7.880 -2.108 7.732 1.00 31.35 N ATOM 1071 CA LYS A 70 -9.127 -1.666 8.325 1.00 73.10 C ATOM 1072 C LYS A 70 -9.709 -2.755 9.249 1.00 3.34 C ATOM 1073 O LYS A 70 -10.307 -3.727 8.736 1.00 37.82 O ATOM 1074 CB LYS A 70 -10.143 -1.292 7.243 1.00 74.24 C ATOM 1075 CG LYS A 70 -11.491 -0.960 7.792 1.00 40.13 C ATOM 1076 CD LYS A 70 -12.451 -0.561 6.709 1.00 64.44 C ATOM 1077 CE LYS A 70 -12.221 0.849 6.215 1.00 63.42 C ATOM 1078 NZ LYS A 70 -13.220 1.226 5.193 1.00 10.32 N ATOM 1079 OXT LYS A 70 -9.576 -2.630 10.483 1.00 37.82 O ATOM 0 H LYS A 70 -7.877 -2.090 6.712 1.00 31.35 H new ATOM 0 HA LYS A 70 -8.918 -0.779 8.923 1.00 73.10 H new ATOM 0 HB2 LYS A 70 -9.767 -0.438 6.680 1.00 74.24 H new ATOM 0 HB3 LYS A 70 -10.238 -2.120 6.541 1.00 74.24 H new ATOM 0 HG2 LYS A 70 -11.887 -1.822 8.329 1.00 40.13 H new ATOM 0 HG3 LYS A 70 -11.400 -0.148 8.514 1.00 40.13 H new ATOM 0 HD2 LYS A 70 -12.358 -1.254 5.873 1.00 64.44 H new ATOM 0 HD3 LYS A 70 -13.471 -0.649 7.083 1.00 64.44 H new ATOM 0 HE2 LYS A 70 -12.274 1.544 7.053 1.00 63.42 H new ATOM 0 HE3 LYS A 70 -11.218 0.931 5.795 1.00 63.42 H new ATOM 0 HZ1 LYS A 70 -12.960 2.142 4.775 1.00 10.32 H new ATOM 0 HZ2 LYS A 70 -13.246 0.500 4.449 1.00 10.32 H new ATOM 0 HZ3 LYS A 70 -14.158 1.301 5.636 1.00 10.32 H new TER 1093 LYS A 70