USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 647 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 12 GLN : amide:sc= -1.58! C(o=-2!,f=-6.2!) USER MOD Set 1.2: A 74 MET CE :methyl 148:sc= -0.161 (180deg=-0.718) USER MOD Set 1.3: A 77 THR OG1 : rot 53:sc= -0.227 USER MOD Set 2.1: A 5 MET CE :methyl -124:sc= -4.49 (180deg=-16.1!) USER MOD Set 2.2: A 70 THR OG1 : rot -85:sc= 0.455 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -115:sc= 0.0535 (180deg=-0.00611) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= -0.57 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.365 USER MOD Single : A 18 THR OG1 : rot -36:sc= -2.91! USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -130:sc= -0.879 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.092) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -74:sc= 1.17 USER MOD Single : A 43 GLN : amide:sc= -2.04 K(o=-2,f=-5.7!) USER MOD Single : A 44 LYS NZ :NH3+ -164:sc=-0.00205 (180deg=-0.139) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0105) USER MOD Single : A 53 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0254) USER MOD Single : A 57 ASN :FLIP amide:sc= -0.139 F(o=-0.76,f=-0.14) USER MOD Single : A 60 LYS NZ :NH3+ 159:sc= -0.0447 (180deg=-0.301) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc=-0.000971 X(o=-0.00097,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.971 -0.054 -0.494 1.00 0.00 N ATOM 2 CA MET A 1 1.762 -0.459 -1.650 1.00 0.00 C ATOM 3 C MET A 1 3.231 -0.620 -1.274 1.00 0.00 C ATOM 4 O MET A 1 3.704 -0.019 -0.310 1.00 0.00 O ATOM 5 CB MET A 1 1.621 0.567 -2.776 1.00 0.00 C ATOM 6 CG MET A 1 0.226 0.622 -3.377 1.00 0.00 C ATOM 7 SD MET A 1 0.169 1.558 -4.917 1.00 0.00 S ATOM 8 CE MET A 1 -1.599 1.738 -5.139 1.00 0.00 C ATOM 0 H1 MET A 1 0.297 -0.808 -0.253 1.00 0.00 H new ATOM 0 H2 MET A 1 1.601 0.118 0.315 1.00 0.00 H new ATOM 0 H3 MET A 1 0.450 0.818 -0.718 1.00 0.00 H new ATOM 0 HA MET A 1 1.387 -1.422 -1.997 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.882 1.553 -2.392 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.338 0.332 -3.563 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.127 -0.393 -3.560 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.458 1.072 -2.657 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.796 2.298 -6.053 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.059 0.752 -5.211 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.020 2.273 -4.288 1.00 0.00 H new ATOM 18 N ALA A 2 3.948 -1.435 -2.042 1.00 0.00 N ATOM 19 CA ALA A 2 5.364 -1.673 -1.789 1.00 0.00 C ATOM 20 C ALA A 2 6.235 -0.885 -2.762 1.00 0.00 C ATOM 21 O ALA A 2 6.040 -0.947 -3.977 1.00 0.00 O ATOM 22 CB ALA A 2 5.674 -3.159 -1.885 1.00 0.00 C ATOM 0 H ALA A 2 3.572 -1.941 -2.844 1.00 0.00 H new ATOM 0 HA ALA A 2 5.591 -1.330 -0.779 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.735 -3.323 -1.694 1.00 0.00 H new ATOM 0 HB2 ALA A 2 5.084 -3.702 -1.147 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.426 -3.519 -2.883 1.00 0.00 H new ATOM 28 N LEU A 3 7.195 -0.143 -2.221 1.00 0.00 N ATOM 29 CA LEU A 3 8.096 0.659 -3.042 1.00 0.00 C ATOM 30 C LEU A 3 9.469 0.001 -3.145 1.00 0.00 C ATOM 31 O LEU A 3 9.954 -0.629 -2.205 1.00 0.00 O ATOM 32 CB LEU A 3 8.234 2.065 -2.457 1.00 0.00 C ATOM 33 CG LEU A 3 6.936 2.733 -2.001 1.00 0.00 C ATOM 34 CD1 LEU A 3 5.805 2.416 -2.967 1.00 0.00 C ATOM 35 CD2 LEU A 3 6.576 2.290 -0.591 1.00 0.00 C ATOM 0 H LEU A 3 7.370 -0.080 -1.218 1.00 0.00 H new ATOM 0 HA LEU A 3 7.671 0.729 -4.043 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.913 2.018 -1.606 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.704 2.703 -3.205 1.00 0.00 H new ATOM 0 HG LEU A 3 7.088 3.812 -1.994 1.00 0.00 H new ATOM 0 HD11 LEU A 3 4.889 2.900 -2.627 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.062 2.783 -3.961 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.652 1.337 -3.007 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.650 2.775 -0.283 1.00 0.00 H new ATOM 0 HD22 LEU A 3 6.443 1.208 -0.572 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.377 2.569 0.094 1.00 0.00 H new ATOM 47 N PRO A 4 10.112 0.152 -4.312 1.00 0.00 N ATOM 48 CA PRO A 4 11.439 -0.417 -4.565 1.00 0.00 C ATOM 49 C PRO A 4 12.531 0.280 -3.761 1.00 0.00 C ATOM 50 O PRO A 4 13.301 1.074 -4.301 1.00 0.00 O ATOM 51 CB PRO A 4 11.646 -0.183 -6.063 1.00 0.00 C ATOM 52 CG PRO A 4 10.785 0.989 -6.386 1.00 0.00 C ATOM 53 CD PRO A 4 9.593 0.891 -5.475 1.00 0.00 C ATOM 0 HA PRO A 4 11.495 -1.465 -4.272 1.00 0.00 H new ATOM 0 HB2 PRO A 4 12.692 0.020 -6.291 1.00 0.00 H new ATOM 0 HB3 PRO A 4 11.357 -1.059 -6.644 1.00 0.00 H new ATOM 0 HG2 PRO A 4 11.322 1.924 -6.226 1.00 0.00 H new ATOM 0 HG3 PRO A 4 10.479 0.972 -7.432 1.00 0.00 H new ATOM 0 HD2 PRO A 4 9.222 1.876 -5.192 1.00 0.00 H new ATOM 0 HD3 PRO A 4 8.766 0.363 -5.950 1.00 0.00 H new ATOM 61 N MET A 5 12.592 -0.022 -2.468 1.00 0.00 N ATOM 62 CA MET A 5 13.592 0.575 -1.591 1.00 0.00 C ATOM 63 C MET A 5 14.449 -0.501 -0.931 1.00 0.00 C ATOM 64 O MET A 5 14.118 -1.686 -0.979 1.00 0.00 O ATOM 65 CB MET A 5 12.915 1.432 -0.519 1.00 0.00 C ATOM 66 CG MET A 5 11.571 1.996 -0.952 1.00 0.00 C ATOM 67 SD MET A 5 10.801 3.011 0.324 1.00 0.00 S ATOM 68 CE MET A 5 9.903 4.191 -0.680 1.00 0.00 C ATOM 0 H MET A 5 11.961 -0.676 -2.005 1.00 0.00 H new ATOM 0 HA MET A 5 14.239 1.208 -2.198 1.00 0.00 H new ATOM 0 HB2 MET A 5 12.775 0.832 0.380 1.00 0.00 H new ATOM 0 HB3 MET A 5 13.577 2.256 -0.252 1.00 0.00 H new ATOM 0 HG2 MET A 5 11.705 2.593 -1.854 1.00 0.00 H new ATOM 0 HG3 MET A 5 10.903 1.175 -1.210 1.00 0.00 H new ATOM 0 HE1 MET A 5 10.204 5.203 -0.409 1.00 0.00 H new ATOM 0 HE2 MET A 5 10.125 4.016 -1.733 1.00 0.00 H new ATOM 0 HE3 MET A 5 8.833 4.073 -0.510 1.00 0.00 H new ATOM 78 N ILE A 6 15.550 -0.081 -0.317 1.00 0.00 N ATOM 79 CA ILE A 6 16.452 -1.009 0.352 1.00 0.00 C ATOM 80 C ILE A 6 16.359 -0.871 1.868 1.00 0.00 C ATOM 81 O ILE A 6 16.321 0.239 2.399 1.00 0.00 O ATOM 82 CB ILE A 6 17.913 -0.788 -0.083 1.00 0.00 C ATOM 83 CG1 ILE A 6 18.044 -0.941 -1.600 1.00 0.00 C ATOM 84 CG2 ILE A 6 18.834 -1.763 0.635 1.00 0.00 C ATOM 85 CD1 ILE A 6 19.401 -0.535 -2.133 1.00 0.00 C ATOM 0 H ILE A 6 15.839 0.896 -0.269 1.00 0.00 H new ATOM 0 HA ILE A 6 16.143 -2.013 0.061 1.00 0.00 H new ATOM 0 HB ILE A 6 18.208 0.226 0.189 1.00 0.00 H new ATOM 0 HG12 ILE A 6 17.852 -1.979 -1.870 1.00 0.00 H new ATOM 0 HG13 ILE A 6 17.277 -0.338 -2.086 1.00 0.00 H new ATOM 0 HG21 ILE A 6 19.863 -1.594 0.316 1.00 0.00 H new ATOM 0 HG22 ILE A 6 18.758 -1.610 1.712 1.00 0.00 H new ATOM 0 HG23 ILE A 6 18.543 -2.785 0.392 1.00 0.00 H new ATOM 0 HD11 ILE A 6 19.422 -0.669 -3.214 1.00 0.00 H new ATOM 0 HD12 ILE A 6 19.588 0.512 -1.894 1.00 0.00 H new ATOM 0 HD13 ILE A 6 20.172 -1.155 -1.675 1.00 0.00 H new ATOM 97 N VAL A 7 16.324 -2.005 2.560 1.00 0.00 N ATOM 98 CA VAL A 7 16.239 -2.011 4.015 1.00 0.00 C ATOM 99 C VAL A 7 17.589 -2.337 4.644 1.00 0.00 C ATOM 100 O VAL A 7 18.268 -3.277 4.231 1.00 0.00 O ATOM 101 CB VAL A 7 15.195 -3.029 4.512 1.00 0.00 C ATOM 102 CG1 VAL A 7 15.407 -4.380 3.846 1.00 0.00 C ATOM 103 CG2 VAL A 7 15.255 -3.156 6.027 1.00 0.00 C ATOM 0 H VAL A 7 16.353 -2.932 2.136 1.00 0.00 H new ATOM 0 HA VAL A 7 15.933 -1.010 4.318 1.00 0.00 H new ATOM 0 HB VAL A 7 14.203 -2.669 4.239 1.00 0.00 H new ATOM 0 HG11 VAL A 7 14.660 -5.086 4.209 1.00 0.00 H new ATOM 0 HG12 VAL A 7 15.309 -4.272 2.766 1.00 0.00 H new ATOM 0 HG13 VAL A 7 16.404 -4.751 4.085 1.00 0.00 H new ATOM 0 HG21 VAL A 7 14.511 -3.879 6.361 1.00 0.00 H new ATOM 0 HG22 VAL A 7 16.248 -3.493 6.325 1.00 0.00 H new ATOM 0 HG23 VAL A 7 15.049 -2.187 6.482 1.00 0.00 H new ATOM 113 N LYS A 8 17.973 -1.553 5.646 1.00 0.00 N ATOM 114 CA LYS A 8 19.242 -1.757 6.334 1.00 0.00 C ATOM 115 C LYS A 8 19.201 -1.163 7.738 1.00 0.00 C ATOM 116 O LYS A 8 19.480 0.021 7.929 1.00 0.00 O ATOM 117 CB LYS A 8 20.387 -1.129 5.536 1.00 0.00 C ATOM 118 CG LYS A 8 19.970 0.092 4.734 1.00 0.00 C ATOM 119 CD LYS A 8 21.166 0.959 4.377 1.00 0.00 C ATOM 120 CE LYS A 8 21.484 1.953 5.484 1.00 0.00 C ATOM 121 NZ LYS A 8 22.466 2.981 5.041 1.00 0.00 N ATOM 0 H LYS A 8 17.423 -0.770 6.000 1.00 0.00 H new ATOM 0 HA LYS A 8 19.412 -2.830 6.417 1.00 0.00 H new ATOM 0 HB2 LYS A 8 21.186 -0.847 6.222 1.00 0.00 H new ATOM 0 HB3 LYS A 8 20.799 -1.876 4.857 1.00 0.00 H new ATOM 0 HG2 LYS A 8 19.464 -0.226 3.822 1.00 0.00 H new ATOM 0 HG3 LYS A 8 19.253 0.678 5.308 1.00 0.00 H new ATOM 0 HD2 LYS A 8 22.034 0.326 4.195 1.00 0.00 H new ATOM 0 HD3 LYS A 8 20.963 1.497 3.451 1.00 0.00 H new ATOM 0 HE2 LYS A 8 20.566 2.443 5.807 1.00 0.00 H new ATOM 0 HE3 LYS A 8 21.881 1.420 6.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 22.656 3.639 5.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 23.352 2.516 4.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 22.077 3.507 4.233 1.00 0.00 H new ATOM 135 N TRP A 9 18.854 -1.991 8.717 1.00 0.00 N ATOM 136 CA TRP A 9 18.779 -1.546 10.104 1.00 0.00 C ATOM 137 C TRP A 9 19.888 -2.176 10.938 1.00 0.00 C ATOM 138 O TRP A 9 19.633 -2.744 11.999 1.00 0.00 O ATOM 139 CB TRP A 9 17.414 -1.895 10.699 1.00 0.00 C ATOM 140 CG TRP A 9 17.164 -1.251 12.029 1.00 0.00 C ATOM 141 CD1 TRP A 9 16.795 -1.876 13.186 1.00 0.00 C ATOM 142 CD2 TRP A 9 17.263 0.143 12.338 1.00 0.00 C ATOM 143 NE1 TRP A 9 16.659 -0.955 14.196 1.00 0.00 N ATOM 144 CE2 TRP A 9 16.941 0.291 13.702 1.00 0.00 C ATOM 145 CE3 TRP A 9 17.594 1.281 11.597 1.00 0.00 C ATOM 146 CZ2 TRP A 9 16.940 1.531 14.335 1.00 0.00 C ATOM 147 CZ3 TRP A 9 17.593 2.510 12.228 1.00 0.00 C ATOM 148 CH2 TRP A 9 17.268 2.628 13.586 1.00 0.00 C ATOM 0 H TRP A 9 18.620 -2.974 8.576 1.00 0.00 H new ATOM 0 HA TRP A 9 18.909 -0.464 10.121 1.00 0.00 H new ATOM 0 HB2 TRP A 9 16.633 -1.589 10.003 1.00 0.00 H new ATOM 0 HB3 TRP A 9 17.339 -2.977 10.807 1.00 0.00 H new ATOM 0 HD1 TRP A 9 16.634 -2.939 13.291 1.00 0.00 H new ATOM 0 HE1 TRP A 9 16.391 -1.165 15.158 1.00 0.00 H new ATOM 0 HE3 TRP A 9 17.846 1.201 10.550 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 16.689 1.624 15.381 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 17.847 3.396 11.665 1.00 0.00 H new ATOM 0 HH2 TRP A 9 17.277 3.603 14.050 1.00 0.00 H new ATOM 159 N GLY A 10 21.121 -2.071 10.452 1.00 0.00 N ATOM 160 CA GLY A 10 22.251 -2.636 11.167 1.00 0.00 C ATOM 161 C GLY A 10 22.278 -4.150 11.105 1.00 0.00 C ATOM 162 O GLY A 10 23.031 -4.733 10.325 1.00 0.00 O ATOM 0 H GLY A 10 21.358 -1.605 9.576 1.00 0.00 H new ATOM 0 HA2 GLY A 10 23.176 -2.242 10.747 1.00 0.00 H new ATOM 0 HA3 GLY A 10 22.213 -2.319 12.209 1.00 0.00 H new ATOM 166 N GLY A 11 21.456 -4.790 11.931 1.00 0.00 N ATOM 167 CA GLY A 11 21.406 -6.241 11.952 1.00 0.00 C ATOM 168 C GLY A 11 21.179 -6.833 10.575 1.00 0.00 C ATOM 169 O GLY A 11 22.119 -7.294 9.929 1.00 0.00 O ATOM 0 H GLY A 11 20.824 -4.330 12.586 1.00 0.00 H new ATOM 0 HA2 GLY A 11 22.339 -6.628 12.361 1.00 0.00 H new ATOM 0 HA3 GLY A 11 20.607 -6.564 12.619 1.00 0.00 H new ATOM 173 N GLN A 12 19.928 -6.821 10.126 1.00 0.00 N ATOM 174 CA GLN A 12 19.581 -7.363 8.818 1.00 0.00 C ATOM 175 C GLN A 12 19.532 -6.259 7.767 1.00 0.00 C ATOM 176 O GLN A 12 18.953 -5.198 7.995 1.00 0.00 O ATOM 177 CB GLN A 12 18.233 -8.083 8.882 1.00 0.00 C ATOM 178 CG GLN A 12 17.365 -7.859 7.654 1.00 0.00 C ATOM 179 CD GLN A 12 16.242 -8.871 7.542 1.00 0.00 C ATOM 180 OE1 GLN A 12 15.064 -8.511 7.543 1.00 0.00 O ATOM 181 NE2 GLN A 12 16.600 -10.146 7.443 1.00 0.00 N ATOM 0 H GLN A 12 19.138 -6.442 10.649 1.00 0.00 H new ATOM 0 HA GLN A 12 20.353 -8.077 8.532 1.00 0.00 H new ATOM 0 HB2 GLN A 12 18.407 -9.152 9.004 1.00 0.00 H new ATOM 0 HB3 GLN A 12 17.692 -7.745 9.766 1.00 0.00 H new ATOM 0 HG2 GLN A 12 16.942 -6.855 7.691 1.00 0.00 H new ATOM 0 HG3 GLN A 12 17.986 -7.911 6.760 1.00 0.00 H new ATOM 0 HE21 GLN A 12 17.588 -10.400 7.446 1.00 0.00 H new ATOM 0 HE22 GLN A 12 15.887 -10.871 7.364 1.00 0.00 H new ATOM 190 N GLU A 13 20.144 -6.518 6.615 1.00 0.00 N ATOM 191 CA GLU A 13 20.170 -5.545 5.529 1.00 0.00 C ATOM 192 C GLU A 13 19.815 -6.203 4.200 1.00 0.00 C ATOM 193 O GLU A 13 20.681 -6.740 3.509 1.00 0.00 O ATOM 194 CB GLU A 13 21.550 -4.891 5.435 1.00 0.00 C ATOM 195 CG GLU A 13 21.775 -4.130 4.139 1.00 0.00 C ATOM 196 CD GLU A 13 22.904 -3.122 4.243 1.00 0.00 C ATOM 197 OE1 GLU A 13 23.165 -2.639 5.364 1.00 0.00 O ATOM 198 OE2 GLU A 13 23.524 -2.816 3.203 1.00 0.00 O ATOM 0 H GLU A 13 20.628 -7.392 6.410 1.00 0.00 H new ATOM 0 HA GLU A 13 19.426 -4.778 5.744 1.00 0.00 H new ATOM 0 HB2 GLU A 13 21.677 -4.208 6.275 1.00 0.00 H new ATOM 0 HB3 GLU A 13 22.315 -5.661 5.532 1.00 0.00 H new ATOM 0 HG2 GLU A 13 21.997 -4.838 3.340 1.00 0.00 H new ATOM 0 HG3 GLU A 13 20.856 -3.614 3.861 1.00 0.00 H new ATOM 205 N TYR A 14 18.535 -6.158 3.847 1.00 0.00 N ATOM 206 CA TYR A 14 18.063 -6.753 2.602 1.00 0.00 C ATOM 207 C TYR A 14 17.704 -5.674 1.585 1.00 0.00 C ATOM 208 O TYR A 14 17.954 -4.489 1.805 1.00 0.00 O ATOM 209 CB TYR A 14 16.850 -7.645 2.867 1.00 0.00 C ATOM 210 CG TYR A 14 16.921 -8.986 2.172 1.00 0.00 C ATOM 211 CD1 TYR A 14 18.012 -9.828 2.356 1.00 0.00 C ATOM 212 CD2 TYR A 14 15.900 -9.411 1.332 1.00 0.00 C ATOM 213 CE1 TYR A 14 18.082 -11.054 1.722 1.00 0.00 C ATOM 214 CE2 TYR A 14 15.961 -10.636 0.696 1.00 0.00 C ATOM 215 CZ TYR A 14 17.054 -11.453 0.894 1.00 0.00 C ATOM 216 OH TYR A 14 17.119 -12.674 0.261 1.00 0.00 O ATOM 0 H TYR A 14 17.805 -5.715 4.406 1.00 0.00 H new ATOM 0 HA TYR A 14 18.869 -7.361 2.190 1.00 0.00 H new ATOM 0 HB2 TYR A 14 16.756 -7.806 3.941 1.00 0.00 H new ATOM 0 HB3 TYR A 14 15.949 -7.124 2.543 1.00 0.00 H new ATOM 0 HD1 TYR A 14 18.818 -9.519 3.005 1.00 0.00 H new ATOM 0 HD2 TYR A 14 15.043 -8.773 1.173 1.00 0.00 H new ATOM 0 HE1 TYR A 14 18.937 -11.696 1.874 1.00 0.00 H new ATOM 0 HE2 TYR A 14 15.157 -10.952 0.047 1.00 0.00 H new ATOM 0 HH TYR A 14 16.315 -12.803 -0.284 1.00 0.00 H new ATOM 226 N SER A 15 17.113 -6.094 0.471 1.00 0.00 N ATOM 227 CA SER A 15 16.721 -5.165 -0.583 1.00 0.00 C ATOM 228 C SER A 15 15.246 -5.333 -0.933 1.00 0.00 C ATOM 229 O SER A 15 14.847 -6.333 -1.531 1.00 0.00 O ATOM 230 CB SER A 15 17.581 -5.382 -1.829 1.00 0.00 C ATOM 231 OG SER A 15 18.885 -4.859 -1.647 1.00 0.00 O ATOM 0 H SER A 15 16.895 -7.071 0.275 1.00 0.00 H new ATOM 0 HA SER A 15 16.876 -4.150 -0.216 1.00 0.00 H new ATOM 0 HB2 SER A 15 17.641 -6.447 -2.052 1.00 0.00 H new ATOM 0 HB3 SER A 15 17.110 -4.903 -2.687 1.00 0.00 H new ATOM 0 HG SER A 15 19.415 -5.012 -2.457 1.00 0.00 H new ATOM 237 N VAL A 16 14.438 -4.346 -0.557 1.00 0.00 N ATOM 238 CA VAL A 16 13.007 -4.383 -0.831 1.00 0.00 C ATOM 239 C VAL A 16 12.690 -3.749 -2.181 1.00 0.00 C ATOM 240 O VAL A 16 11.757 -2.954 -2.304 1.00 0.00 O ATOM 241 CB VAL A 16 12.206 -3.655 0.265 1.00 0.00 C ATOM 242 CG1 VAL A 16 10.724 -3.976 0.146 1.00 0.00 C ATOM 243 CG2 VAL A 16 12.732 -4.028 1.644 1.00 0.00 C ATOM 0 H VAL A 16 14.751 -3.511 -0.062 1.00 0.00 H new ATOM 0 HA VAL A 16 12.715 -5.433 -0.847 1.00 0.00 H new ATOM 0 HB VAL A 16 12.332 -2.581 0.131 1.00 0.00 H new ATOM 0 HG11 VAL A 16 10.174 -3.453 0.929 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.359 -3.655 -0.830 1.00 0.00 H new ATOM 0 HG13 VAL A 16 10.575 -5.050 0.254 1.00 0.00 H new ATOM 0 HG21 VAL A 16 12.155 -3.505 2.407 1.00 0.00 H new ATOM 0 HG22 VAL A 16 12.637 -5.104 1.791 1.00 0.00 H new ATOM 0 HG23 VAL A 16 13.781 -3.742 1.723 1.00 0.00 H new ATOM 253 N THR A 17 13.473 -4.106 -3.195 1.00 0.00 N ATOM 254 CA THR A 17 13.276 -3.573 -4.537 1.00 0.00 C ATOM 255 C THR A 17 12.045 -4.183 -5.197 1.00 0.00 C ATOM 256 O THR A 17 11.482 -5.160 -4.702 1.00 0.00 O ATOM 257 CB THR A 17 14.505 -3.831 -5.429 1.00 0.00 C ATOM 258 OG1 THR A 17 14.280 -3.298 -6.739 1.00 0.00 O ATOM 259 CG2 THR A 17 14.800 -5.321 -5.526 1.00 0.00 C ATOM 0 H THR A 17 14.249 -4.762 -3.112 1.00 0.00 H new ATOM 0 HA THR A 17 13.132 -2.498 -4.432 1.00 0.00 H new ATOM 0 HB THR A 17 15.364 -3.335 -4.978 1.00 0.00 H new ATOM 0 HG1 THR A 17 15.066 -3.465 -7.299 1.00 0.00 H new ATOM 0 HG21 THR A 17 15.672 -5.479 -6.161 1.00 0.00 H new ATOM 0 HG22 THR A 17 14.999 -5.718 -4.531 1.00 0.00 H new ATOM 0 HG23 THR A 17 13.940 -5.835 -5.956 1.00 0.00 H new ATOM 267 N THR A 18 11.631 -3.602 -6.319 1.00 0.00 N ATOM 268 CA THR A 18 10.466 -4.089 -7.046 1.00 0.00 C ATOM 269 C THR A 18 10.848 -5.203 -8.013 1.00 0.00 C ATOM 270 O THR A 18 9.986 -5.807 -8.653 1.00 0.00 O ATOM 271 CB THR A 18 9.781 -2.955 -7.833 1.00 0.00 C ATOM 272 OG1 THR A 18 8.559 -3.428 -8.410 1.00 0.00 O ATOM 273 CG2 THR A 18 10.695 -2.428 -8.929 1.00 0.00 C ATOM 0 H THR A 18 12.086 -2.794 -6.744 1.00 0.00 H new ATOM 0 HA THR A 18 9.770 -4.479 -6.303 1.00 0.00 H new ATOM 0 HB THR A 18 9.564 -2.142 -7.141 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.672 -4.358 -8.698 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.190 -1.628 -9.471 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.612 -2.042 -8.484 1.00 0.00 H new ATOM 0 HG23 THR A 18 10.939 -3.236 -9.619 1.00 0.00 H new ATOM 281 N LEU A 19 12.145 -5.473 -8.116 1.00 0.00 N ATOM 282 CA LEU A 19 12.641 -6.518 -9.005 1.00 0.00 C ATOM 283 C LEU A 19 12.400 -6.150 -10.465 1.00 0.00 C ATOM 284 O LEU A 19 12.012 -5.024 -10.776 1.00 0.00 O ATOM 285 CB LEU A 19 11.965 -7.852 -8.684 1.00 0.00 C ATOM 286 CG LEU A 19 11.707 -8.135 -7.204 1.00 0.00 C ATOM 287 CD1 LEU A 19 10.860 -9.387 -7.040 1.00 0.00 C ATOM 288 CD2 LEU A 19 13.021 -8.274 -6.450 1.00 0.00 C ATOM 0 H LEU A 19 12.872 -4.983 -7.595 1.00 0.00 H new ATOM 0 HA LEU A 19 13.715 -6.616 -8.847 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.012 -7.890 -9.212 1.00 0.00 H new ATOM 0 HB3 LEU A 19 12.583 -8.655 -9.084 1.00 0.00 H new ATOM 0 HG LEU A 19 11.158 -7.293 -6.783 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.687 -9.573 -5.980 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.904 -9.248 -7.545 1.00 0.00 H new ATOM 0 HD13 LEU A 19 11.381 -10.239 -7.477 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.817 -8.475 -5.398 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.597 -9.097 -6.872 1.00 0.00 H new ATOM 0 HD23 LEU A 19 13.591 -7.349 -6.539 1.00 0.00 H new ATOM 300 N SER A 20 12.630 -7.108 -11.357 1.00 0.00 N ATOM 301 CA SER A 20 12.439 -6.884 -12.786 1.00 0.00 C ATOM 302 C SER A 20 10.955 -6.879 -13.141 1.00 0.00 C ATOM 303 O SER A 20 10.129 -7.422 -12.408 1.00 0.00 O ATOM 304 CB SER A 20 13.164 -7.962 -13.594 1.00 0.00 C ATOM 305 OG SER A 20 14.451 -8.221 -13.059 1.00 0.00 O ATOM 0 H SER A 20 12.949 -8.046 -11.116 1.00 0.00 H new ATOM 0 HA SER A 20 12.858 -5.909 -13.035 1.00 0.00 H new ATOM 0 HB2 SER A 20 12.575 -8.879 -13.593 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.256 -7.643 -14.632 1.00 0.00 H new ATOM 0 HG SER A 20 14.893 -8.915 -13.592 1.00 0.00 H new ATOM 311 N GLU A 21 10.626 -6.261 -14.271 1.00 0.00 N ATOM 312 CA GLU A 21 9.241 -6.184 -14.723 1.00 0.00 C ATOM 313 C GLU A 21 8.615 -7.574 -14.797 1.00 0.00 C ATOM 314 O GLU A 21 7.443 -7.756 -14.468 1.00 0.00 O ATOM 315 CB GLU A 21 9.166 -5.505 -16.092 1.00 0.00 C ATOM 316 CG GLU A 21 10.096 -6.116 -17.127 1.00 0.00 C ATOM 317 CD GLU A 21 9.923 -5.502 -18.502 1.00 0.00 C ATOM 318 OE1 GLU A 21 10.280 -4.317 -18.672 1.00 0.00 O ATOM 319 OE2 GLU A 21 9.431 -6.206 -19.408 1.00 0.00 O ATOM 0 H GLU A 21 11.298 -5.807 -14.890 1.00 0.00 H new ATOM 0 HA GLU A 21 8.681 -5.591 -14.000 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.141 -5.560 -16.460 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.408 -4.448 -15.978 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.129 -5.987 -16.803 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.912 -7.189 -17.187 1.00 0.00 H new ATOM 326 N ASP A 22 9.405 -8.550 -15.231 1.00 0.00 N ATOM 327 CA ASP A 22 8.929 -9.923 -15.348 1.00 0.00 C ATOM 328 C ASP A 22 8.502 -10.468 -13.989 1.00 0.00 C ATOM 329 O ASP A 22 7.520 -11.204 -13.885 1.00 0.00 O ATOM 330 CB ASP A 22 10.019 -10.813 -15.949 1.00 0.00 C ATOM 331 CG ASP A 22 10.094 -10.698 -17.458 1.00 0.00 C ATOM 332 OD1 ASP A 22 9.152 -11.160 -18.136 1.00 0.00 O ATOM 333 OD2 ASP A 22 11.094 -10.146 -17.963 1.00 0.00 O ATOM 0 H ASP A 22 10.378 -8.416 -15.507 1.00 0.00 H new ATOM 0 HA ASP A 22 8.062 -9.926 -16.009 1.00 0.00 H new ATOM 0 HB2 ASP A 22 10.983 -10.542 -15.519 1.00 0.00 H new ATOM 0 HB3 ASP A 22 9.828 -11.851 -15.676 1.00 0.00 H new ATOM 338 N ASP A 23 9.245 -10.103 -12.951 1.00 0.00 N ATOM 339 CA ASP A 23 8.943 -10.555 -11.597 1.00 0.00 C ATOM 340 C ASP A 23 7.900 -9.653 -10.944 1.00 0.00 C ATOM 341 O ASP A 23 7.391 -8.721 -11.566 1.00 0.00 O ATOM 342 CB ASP A 23 10.216 -10.581 -10.750 1.00 0.00 C ATOM 343 CG ASP A 23 11.292 -11.466 -11.349 1.00 0.00 C ATOM 344 OD1 ASP A 23 11.045 -12.680 -11.499 1.00 0.00 O ATOM 345 OD2 ASP A 23 12.381 -10.943 -11.666 1.00 0.00 O ATOM 0 H ASP A 23 10.061 -9.495 -13.020 1.00 0.00 H new ATOM 0 HA ASP A 23 8.537 -11.565 -11.659 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.600 -9.566 -10.646 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.975 -10.935 -9.748 1.00 0.00 H new ATOM 350 N THR A 24 7.586 -9.938 -9.684 1.00 0.00 N ATOM 351 CA THR A 24 6.602 -9.155 -8.946 1.00 0.00 C ATOM 352 C THR A 24 6.963 -9.073 -7.467 1.00 0.00 C ATOM 353 O THR A 24 7.918 -9.703 -7.014 1.00 0.00 O ATOM 354 CB THR A 24 5.189 -9.752 -9.086 1.00 0.00 C ATOM 355 OG1 THR A 24 5.274 -11.162 -9.323 1.00 0.00 O ATOM 356 CG2 THR A 24 4.430 -9.086 -10.223 1.00 0.00 C ATOM 0 H THR A 24 7.999 -10.705 -9.153 1.00 0.00 H new ATOM 0 HA THR A 24 6.609 -8.153 -9.375 1.00 0.00 H new ATOM 0 HB THR A 24 4.649 -9.572 -8.156 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.719 -11.398 -10.095 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.435 -9.524 -10.302 1.00 0.00 H new ATOM 0 HG22 THR A 24 4.341 -8.018 -10.025 1.00 0.00 H new ATOM 0 HG23 THR A 24 4.969 -9.238 -11.158 1.00 0.00 H new ATOM 364 N VAL A 25 6.191 -8.292 -6.717 1.00 0.00 N ATOM 365 CA VAL A 25 6.428 -8.128 -5.288 1.00 0.00 C ATOM 366 C VAL A 25 6.158 -9.426 -4.534 1.00 0.00 C ATOM 367 O VAL A 25 6.717 -9.662 -3.462 1.00 0.00 O ATOM 368 CB VAL A 25 5.548 -7.011 -4.697 1.00 0.00 C ATOM 369 CG1 VAL A 25 5.688 -6.965 -3.183 1.00 0.00 C ATOM 370 CG2 VAL A 25 5.906 -5.668 -5.315 1.00 0.00 C ATOM 0 H VAL A 25 5.396 -7.763 -7.076 1.00 0.00 H new ATOM 0 HA VAL A 25 7.476 -7.854 -5.170 1.00 0.00 H new ATOM 0 HB VAL A 25 4.507 -7.229 -4.935 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.059 -6.170 -2.783 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.378 -7.920 -2.760 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.728 -6.772 -2.919 1.00 0.00 H new ATOM 0 HG21 VAL A 25 5.274 -4.890 -4.886 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.952 -5.440 -5.110 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.748 -5.710 -6.393 1.00 0.00 H new ATOM 380 N LEU A 26 5.297 -10.264 -5.101 1.00 0.00 N ATOM 381 CA LEU A 26 4.952 -11.540 -4.483 1.00 0.00 C ATOM 382 C LEU A 26 6.196 -12.399 -4.276 1.00 0.00 C ATOM 383 O LEU A 26 6.286 -13.155 -3.309 1.00 0.00 O ATOM 384 CB LEU A 26 3.938 -12.290 -5.348 1.00 0.00 C ATOM 385 CG LEU A 26 4.371 -12.586 -6.785 1.00 0.00 C ATOM 386 CD1 LEU A 26 5.023 -13.956 -6.875 1.00 0.00 C ATOM 387 CD2 LEU A 26 3.180 -12.497 -7.729 1.00 0.00 C ATOM 0 H LEU A 26 4.825 -10.083 -5.987 1.00 0.00 H new ATOM 0 HA LEU A 26 4.508 -11.336 -3.509 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.702 -13.235 -4.859 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.017 -11.708 -5.380 1.00 0.00 H new ATOM 0 HG LEU A 26 5.105 -11.838 -7.085 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.324 -14.149 -7.905 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.900 -13.985 -6.229 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.313 -14.719 -6.556 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.506 -12.710 -8.747 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.424 -13.223 -7.430 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.756 -11.494 -7.686 1.00 0.00 H new ATOM 399 N ASP A 27 7.153 -12.275 -5.189 1.00 0.00 N ATOM 400 CA ASP A 27 8.393 -13.037 -5.105 1.00 0.00 C ATOM 401 C ASP A 27 9.169 -12.675 -3.843 1.00 0.00 C ATOM 402 O ASP A 27 9.280 -13.481 -2.917 1.00 0.00 O ATOM 403 CB ASP A 27 9.258 -12.782 -6.341 1.00 0.00 C ATOM 404 CG ASP A 27 10.429 -13.741 -6.436 1.00 0.00 C ATOM 405 OD1 ASP A 27 10.228 -14.948 -6.190 1.00 0.00 O ATOM 406 OD2 ASP A 27 11.546 -13.283 -6.755 1.00 0.00 O ATOM 0 H ASP A 27 7.094 -11.654 -5.996 1.00 0.00 H new ATOM 0 HA ASP A 27 8.138 -14.096 -5.062 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.643 -12.874 -7.236 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.632 -11.758 -6.315 1.00 0.00 H new ATOM 411 N LEU A 28 9.705 -11.460 -3.812 1.00 0.00 N ATOM 412 CA LEU A 28 10.472 -10.991 -2.663 1.00 0.00 C ATOM 413 C LEU A 28 9.676 -11.158 -1.372 1.00 0.00 C ATOM 414 O LEU A 28 10.238 -11.454 -0.317 1.00 0.00 O ATOM 415 CB LEU A 28 10.861 -9.524 -2.849 1.00 0.00 C ATOM 416 CG LEU A 28 9.776 -8.495 -2.528 1.00 0.00 C ATOM 417 CD1 LEU A 28 9.834 -8.098 -1.062 1.00 0.00 C ATOM 418 CD2 LEU A 28 9.921 -7.271 -3.420 1.00 0.00 C ATOM 0 H LEU A 28 9.623 -10.782 -4.569 1.00 0.00 H new ATOM 0 HA LEU A 28 11.377 -11.594 -2.591 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.727 -9.316 -2.221 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.175 -9.381 -3.883 1.00 0.00 H new ATOM 0 HG LEU A 28 8.804 -8.948 -2.722 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.055 -7.365 -0.852 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.680 -8.980 -0.440 1.00 0.00 H new ATOM 0 HD13 LEU A 28 10.809 -7.664 -0.841 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.141 -6.550 -3.178 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.898 -6.816 -3.258 1.00 0.00 H new ATOM 0 HD23 LEU A 28 9.828 -7.569 -4.464 1.00 0.00 H new ATOM 430 N LYS A 29 8.364 -10.969 -1.463 1.00 0.00 N ATOM 431 CA LYS A 29 7.489 -11.101 -0.305 1.00 0.00 C ATOM 432 C LYS A 29 7.729 -12.428 0.409 1.00 0.00 C ATOM 433 O LYS A 29 8.041 -12.455 1.599 1.00 0.00 O ATOM 434 CB LYS A 29 6.024 -10.998 -0.732 1.00 0.00 C ATOM 435 CG LYS A 29 5.049 -10.999 0.433 1.00 0.00 C ATOM 436 CD LYS A 29 3.613 -11.145 -0.042 1.00 0.00 C ATOM 437 CE LYS A 29 2.624 -10.772 1.052 1.00 0.00 C ATOM 438 NZ LYS A 29 1.267 -11.325 0.784 1.00 0.00 N ATOM 0 H LYS A 29 7.883 -10.724 -2.328 1.00 0.00 H new ATOM 0 HA LYS A 29 7.717 -10.289 0.386 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.886 -10.084 -1.309 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.788 -11.832 -1.393 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.293 -11.816 1.112 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.154 -10.072 0.997 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.450 -10.510 -0.913 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.436 -12.173 -0.359 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.985 -11.144 2.011 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.565 -9.687 1.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.622 -11.049 1.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.911 -10.950 -0.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.319 -12.362 0.732 1.00 0.00 H new ATOM 452 N GLN A 30 7.582 -13.525 -0.326 1.00 0.00 N ATOM 453 CA GLN A 30 7.784 -14.855 0.238 1.00 0.00 C ATOM 454 C GLN A 30 9.220 -15.030 0.718 1.00 0.00 C ATOM 455 O GLN A 30 9.481 -15.758 1.676 1.00 0.00 O ATOM 456 CB GLN A 30 7.446 -15.928 -0.799 1.00 0.00 C ATOM 457 CG GLN A 30 5.971 -15.975 -1.167 1.00 0.00 C ATOM 458 CD GLN A 30 5.678 -16.970 -2.272 1.00 0.00 C ATOM 459 OE1 GLN A 30 6.330 -16.966 -3.317 1.00 0.00 O ATOM 460 NE2 GLN A 30 4.691 -17.830 -2.048 1.00 0.00 N ATOM 0 H GLN A 30 7.324 -13.520 -1.313 1.00 0.00 H new ATOM 0 HA GLN A 30 7.118 -14.964 1.094 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.031 -15.747 -1.701 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.747 -16.902 -0.413 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.388 -16.236 -0.284 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.647 -14.983 -1.481 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.177 -17.798 -1.168 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.447 -18.522 -2.756 1.00 0.00 H new ATOM 469 N PHE A 31 10.150 -14.359 0.047 1.00 0.00 N ATOM 470 CA PHE A 31 11.561 -14.441 0.405 1.00 0.00 C ATOM 471 C PHE A 31 11.815 -13.801 1.766 1.00 0.00 C ATOM 472 O PHE A 31 12.700 -14.227 2.510 1.00 0.00 O ATOM 473 CB PHE A 31 12.420 -13.758 -0.661 1.00 0.00 C ATOM 474 CG PHE A 31 12.885 -14.689 -1.744 1.00 0.00 C ATOM 475 CD1 PHE A 31 11.989 -15.533 -2.382 1.00 0.00 C ATOM 476 CD2 PHE A 31 14.216 -14.720 -2.126 1.00 0.00 C ATOM 477 CE1 PHE A 31 12.414 -16.391 -3.378 1.00 0.00 C ATOM 478 CE2 PHE A 31 14.647 -15.576 -3.122 1.00 0.00 C ATOM 479 CZ PHE A 31 13.744 -16.412 -3.749 1.00 0.00 C ATOM 0 H PHE A 31 9.952 -13.752 -0.748 1.00 0.00 H new ATOM 0 HA PHE A 31 11.835 -15.494 0.462 1.00 0.00 H new ATOM 0 HB2 PHE A 31 11.848 -12.946 -1.111 1.00 0.00 H new ATOM 0 HB3 PHE A 31 13.289 -13.308 -0.182 1.00 0.00 H new ATOM 0 HD1 PHE A 31 10.947 -15.520 -2.097 1.00 0.00 H new ATOM 0 HD2 PHE A 31 14.926 -14.067 -1.640 1.00 0.00 H new ATOM 0 HE1 PHE A 31 11.706 -17.045 -3.866 1.00 0.00 H new ATOM 0 HE2 PHE A 31 15.688 -15.591 -3.409 1.00 0.00 H new ATOM 0 HZ PHE A 31 14.078 -17.081 -4.528 1.00 0.00 H new ATOM 489 N LEU A 32 11.034 -12.775 2.085 1.00 0.00 N ATOM 490 CA LEU A 32 11.174 -12.074 3.357 1.00 0.00 C ATOM 491 C LEU A 32 10.535 -12.870 4.491 1.00 0.00 C ATOM 492 O LEU A 32 11.000 -12.833 5.630 1.00 0.00 O ATOM 493 CB LEU A 32 10.536 -10.686 3.270 1.00 0.00 C ATOM 494 CG LEU A 32 11.201 -9.701 2.308 1.00 0.00 C ATOM 495 CD1 LEU A 32 10.555 -8.329 2.418 1.00 0.00 C ATOM 496 CD2 LEU A 32 12.695 -9.613 2.583 1.00 0.00 C ATOM 0 H LEU A 32 10.298 -12.410 1.481 1.00 0.00 H new ATOM 0 HA LEU A 32 12.238 -11.966 3.569 1.00 0.00 H new ATOM 0 HB2 LEU A 32 9.494 -10.805 2.974 1.00 0.00 H new ATOM 0 HB3 LEU A 32 10.535 -10.245 4.267 1.00 0.00 H new ATOM 0 HG LEU A 32 11.060 -10.065 1.290 1.00 0.00 H new ATOM 0 HD11 LEU A 32 11.041 -7.641 1.726 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.496 -8.404 2.170 1.00 0.00 H new ATOM 0 HD13 LEU A 32 10.664 -7.956 3.436 1.00 0.00 H new ATOM 0 HD21 LEU A 32 13.152 -8.907 1.889 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.857 -9.273 3.606 1.00 0.00 H new ATOM 0 HD23 LEU A 32 13.148 -10.596 2.452 1.00 0.00 H new ATOM 508 N LYS A 33 9.465 -13.591 4.170 1.00 0.00 N ATOM 509 CA LYS A 33 8.763 -14.399 5.160 1.00 0.00 C ATOM 510 C LYS A 33 9.572 -15.641 5.521 1.00 0.00 C ATOM 511 O LYS A 33 9.434 -16.188 6.616 1.00 0.00 O ATOM 512 CB LYS A 33 7.387 -14.810 4.629 1.00 0.00 C ATOM 513 CG LYS A 33 6.840 -16.072 5.272 1.00 0.00 C ATOM 514 CD LYS A 33 7.241 -17.314 4.493 1.00 0.00 C ATOM 515 CE LYS A 33 6.152 -18.374 4.534 1.00 0.00 C ATOM 516 NZ LYS A 33 6.292 -19.267 5.718 1.00 0.00 N ATOM 0 H LYS A 33 9.066 -13.632 3.232 1.00 0.00 H new ATOM 0 HA LYS A 33 8.634 -13.797 6.059 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.684 -13.994 4.795 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.453 -14.960 3.551 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.208 -16.149 6.295 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.753 -16.011 5.328 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.448 -17.044 3.458 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.163 -17.722 4.907 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.175 -17.891 4.557 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.191 -18.970 3.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.531 -19.976 5.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.214 -19.748 5.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.229 -18.702 6.589 1.00 0.00 H new ATOM 530 N THR A 34 10.418 -16.081 4.595 1.00 0.00 N ATOM 531 CA THR A 34 11.249 -17.258 4.816 1.00 0.00 C ATOM 532 C THR A 34 12.579 -16.878 5.457 1.00 0.00 C ATOM 533 O THR A 34 13.146 -17.646 6.237 1.00 0.00 O ATOM 534 CB THR A 34 11.522 -18.008 3.499 1.00 0.00 C ATOM 535 OG1 THR A 34 12.305 -19.179 3.756 1.00 0.00 O ATOM 536 CG2 THR A 34 12.249 -17.113 2.507 1.00 0.00 C ATOM 0 H THR A 34 10.546 -15.640 3.684 1.00 0.00 H new ATOM 0 HA THR A 34 10.697 -17.913 5.490 1.00 0.00 H new ATOM 0 HB THR A 34 10.565 -18.299 3.067 1.00 0.00 H new ATOM 0 HG1 THR A 34 12.473 -19.651 2.914 1.00 0.00 H new ATOM 0 HG21 THR A 34 12.431 -17.665 1.585 1.00 0.00 H new ATOM 0 HG22 THR A 34 11.637 -16.237 2.291 1.00 0.00 H new ATOM 0 HG23 THR A 34 13.201 -16.795 2.933 1.00 0.00 H new ATOM 544 N LEU A 35 13.073 -15.691 5.125 1.00 0.00 N ATOM 545 CA LEU A 35 14.338 -15.209 5.669 1.00 0.00 C ATOM 546 C LEU A 35 14.129 -14.548 7.028 1.00 0.00 C ATOM 547 O LEU A 35 14.851 -14.829 7.985 1.00 0.00 O ATOM 548 CB LEU A 35 14.988 -14.218 4.701 1.00 0.00 C ATOM 549 CG LEU A 35 15.961 -14.814 3.684 1.00 0.00 C ATOM 550 CD1 LEU A 35 15.764 -14.175 2.318 1.00 0.00 C ATOM 551 CD2 LEU A 35 17.398 -14.638 4.155 1.00 0.00 C ATOM 0 H LEU A 35 12.617 -15.044 4.482 1.00 0.00 H new ATOM 0 HA LEU A 35 14.999 -16.066 5.800 1.00 0.00 H new ATOM 0 HB2 LEU A 35 14.198 -13.700 4.158 1.00 0.00 H new ATOM 0 HB3 LEU A 35 15.519 -13.466 5.285 1.00 0.00 H new ATOM 0 HG LEU A 35 15.756 -15.881 3.596 1.00 0.00 H new ATOM 0 HD11 LEU A 35 16.465 -14.612 1.607 1.00 0.00 H new ATOM 0 HD12 LEU A 35 14.744 -14.352 1.977 1.00 0.00 H new ATOM 0 HD13 LEU A 35 15.941 -13.102 2.389 1.00 0.00 H new ATOM 0 HD21 LEU A 35 18.077 -15.068 3.419 1.00 0.00 H new ATOM 0 HD22 LEU A 35 17.615 -13.576 4.272 1.00 0.00 H new ATOM 0 HD23 LEU A 35 17.532 -15.144 5.111 1.00 0.00 H new ATOM 563 N THR A 36 13.135 -13.668 7.106 1.00 0.00 N ATOM 564 CA THR A 36 12.831 -12.967 8.347 1.00 0.00 C ATOM 565 C THR A 36 11.712 -13.665 9.112 1.00 0.00 C ATOM 566 O THR A 36 11.770 -13.796 10.333 1.00 0.00 O ATOM 567 CB THR A 36 12.422 -11.506 8.081 1.00 0.00 C ATOM 568 OG1 THR A 36 11.004 -11.419 7.900 1.00 0.00 O ATOM 569 CG2 THR A 36 13.130 -10.961 6.850 1.00 0.00 C ATOM 0 H THR A 36 12.527 -13.424 6.324 1.00 0.00 H new ATOM 0 HA THR A 36 13.740 -12.978 8.948 1.00 0.00 H new ATOM 0 HB THR A 36 12.715 -10.907 8.944 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.764 -11.779 7.021 1.00 0.00 H new ATOM 0 HG21 THR A 36 12.825 -9.928 6.682 1.00 0.00 H new ATOM 0 HG22 THR A 36 14.208 -11.001 7.003 1.00 0.00 H new ATOM 0 HG23 THR A 36 12.864 -11.563 5.981 1.00 0.00 H new ATOM 577 N GLY A 37 10.693 -14.113 8.384 1.00 0.00 N ATOM 578 CA GLY A 37 9.575 -14.793 9.011 1.00 0.00 C ATOM 579 C GLY A 37 9.060 -14.056 10.232 1.00 0.00 C ATOM 580 O GLY A 37 8.538 -14.670 11.162 1.00 0.00 O ATOM 0 H GLY A 37 10.622 -14.017 7.371 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.767 -14.901 8.287 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.881 -15.799 9.299 1.00 0.00 H new ATOM 584 N VAL A 38 9.207 -12.735 10.230 1.00 0.00 N ATOM 585 CA VAL A 38 8.753 -11.913 11.346 1.00 0.00 C ATOM 586 C VAL A 38 7.807 -10.816 10.871 1.00 0.00 C ATOM 587 O VAL A 38 7.236 -10.081 11.678 1.00 0.00 O ATOM 588 CB VAL A 38 9.940 -11.268 12.087 1.00 0.00 C ATOM 589 CG1 VAL A 38 10.608 -10.218 11.212 1.00 0.00 C ATOM 590 CG2 VAL A 38 9.479 -10.662 13.404 1.00 0.00 C ATOM 0 H VAL A 38 9.637 -12.211 9.468 1.00 0.00 H new ATOM 0 HA VAL A 38 8.223 -12.574 12.031 1.00 0.00 H new ATOM 0 HB VAL A 38 10.674 -12.043 12.307 1.00 0.00 H new ATOM 0 HG11 VAL A 38 11.444 -9.773 11.752 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.974 -10.685 10.298 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.885 -9.442 10.959 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.330 -10.211 13.914 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.726 -9.898 13.209 1.00 0.00 H new ATOM 0 HG23 VAL A 38 9.050 -11.442 14.033 1.00 0.00 H new ATOM 600 N LEU A 39 7.644 -10.711 9.557 1.00 0.00 N ATOM 601 CA LEU A 39 6.766 -9.703 8.973 1.00 0.00 C ATOM 602 C LEU A 39 5.324 -9.910 9.425 1.00 0.00 C ATOM 603 O LEU A 39 4.655 -8.988 9.891 1.00 0.00 O ATOM 604 CB LEU A 39 6.846 -9.751 7.446 1.00 0.00 C ATOM 605 CG LEU A 39 8.210 -9.428 6.836 1.00 0.00 C ATOM 606 CD1 LEU A 39 8.083 -9.194 5.338 1.00 0.00 C ATOM 607 CD2 LEU A 39 8.826 -8.215 7.517 1.00 0.00 C ATOM 0 H LEU A 39 8.108 -11.311 8.876 1.00 0.00 H new ATOM 0 HA LEU A 39 7.098 -8.724 9.317 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.550 -10.747 7.118 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.114 -9.052 7.041 1.00 0.00 H new ATOM 0 HG LEU A 39 8.869 -10.282 6.995 1.00 0.00 H new ATOM 0 HD11 LEU A 39 9.064 -8.965 4.921 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.686 -10.091 4.862 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.408 -8.358 5.156 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.796 -8.000 7.070 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.170 -7.354 7.390 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.954 -8.420 8.580 1.00 0.00 H new ATOM 619 N PRO A 40 4.832 -11.151 9.286 1.00 0.00 N ATOM 620 CA PRO A 40 3.466 -11.509 9.676 1.00 0.00 C ATOM 621 C PRO A 40 3.273 -11.496 11.189 1.00 0.00 C ATOM 622 O PRO A 40 2.152 -11.622 11.681 1.00 0.00 O ATOM 623 CB PRO A 40 3.301 -12.928 9.128 1.00 0.00 C ATOM 624 CG PRO A 40 4.686 -13.470 9.056 1.00 0.00 C ATOM 625 CD PRO A 40 5.573 -12.299 8.737 1.00 0.00 C ATOM 0 HA PRO A 40 2.733 -10.801 9.290 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.672 -13.534 9.781 1.00 0.00 H new ATOM 0 HB3 PRO A 40 2.827 -12.921 8.146 1.00 0.00 H new ATOM 0 HG2 PRO A 40 4.974 -13.932 10.000 1.00 0.00 H new ATOM 0 HG3 PRO A 40 4.764 -14.240 8.288 1.00 0.00 H new ATOM 0 HD2 PRO A 40 6.555 -12.401 9.198 1.00 0.00 H new ATOM 0 HD3 PRO A 40 5.734 -12.197 7.664 1.00 0.00 H new ATOM 633 N GLU A 41 4.372 -11.343 11.920 1.00 0.00 N ATOM 634 CA GLU A 41 4.322 -11.315 13.377 1.00 0.00 C ATOM 635 C GLU A 41 4.272 -9.879 13.892 1.00 0.00 C ATOM 636 O GLU A 41 3.226 -9.403 14.333 1.00 0.00 O ATOM 637 CB GLU A 41 5.536 -12.037 13.965 1.00 0.00 C ATOM 638 CG GLU A 41 5.572 -13.523 13.649 1.00 0.00 C ATOM 639 CD GLU A 41 6.757 -14.226 14.283 1.00 0.00 C ATOM 640 OE1 GLU A 41 7.881 -14.082 13.758 1.00 0.00 O ATOM 641 OE2 GLU A 41 6.560 -14.919 15.303 1.00 0.00 O ATOM 0 H GLU A 41 5.307 -11.237 11.528 1.00 0.00 H new ATOM 0 HA GLU A 41 3.414 -11.828 13.694 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.445 -11.571 13.584 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.539 -11.904 15.047 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.650 -13.987 13.998 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.609 -13.660 12.568 1.00 0.00 H new ATOM 648 N ARG A 42 5.410 -9.196 13.832 1.00 0.00 N ATOM 649 CA ARG A 42 5.498 -7.815 14.294 1.00 0.00 C ATOM 650 C ARG A 42 6.455 -7.009 13.421 1.00 0.00 C ATOM 651 O ARG A 42 7.573 -7.444 13.145 1.00 0.00 O ATOM 652 CB ARG A 42 5.961 -7.771 15.751 1.00 0.00 C ATOM 653 CG ARG A 42 7.181 -8.633 16.029 1.00 0.00 C ATOM 654 CD ARG A 42 7.688 -8.440 17.450 1.00 0.00 C ATOM 655 NE ARG A 42 6.761 -8.982 18.440 1.00 0.00 N ATOM 656 CZ ARG A 42 6.658 -10.276 18.720 1.00 0.00 C ATOM 657 NH1 ARG A 42 7.422 -11.157 18.089 1.00 0.00 N ATOM 658 NH2 ARG A 42 5.791 -10.692 19.634 1.00 0.00 N ATOM 0 H ARG A 42 6.284 -9.576 13.468 1.00 0.00 H new ATOM 0 HA ARG A 42 4.505 -7.370 14.221 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.187 -6.739 16.021 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.143 -8.097 16.393 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.930 -9.682 15.870 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.973 -8.384 15.322 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.658 -8.925 17.558 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.840 -7.377 17.639 1.00 0.00 H new ATOM 0 HE ARG A 42 6.159 -8.331 18.944 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.091 -10.841 17.387 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.341 -12.150 18.306 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.202 -10.018 20.123 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.713 -11.686 19.848 1.00 0.00 H new ATOM 672 N GLN A 43 6.007 -5.835 12.988 1.00 0.00 N ATOM 673 CA GLN A 43 6.823 -4.970 12.145 1.00 0.00 C ATOM 674 C GLN A 43 6.778 -3.528 12.639 1.00 0.00 C ATOM 675 O GLN A 43 5.702 -2.960 12.834 1.00 0.00 O ATOM 676 CB GLN A 43 6.345 -5.039 10.693 1.00 0.00 C ATOM 677 CG GLN A 43 6.207 -6.458 10.166 1.00 0.00 C ATOM 678 CD GLN A 43 5.432 -6.524 8.864 1.00 0.00 C ATOM 679 OE1 GLN A 43 6.017 -6.621 7.785 1.00 0.00 O ATOM 680 NE2 GLN A 43 4.109 -6.471 8.959 1.00 0.00 N ATOM 0 H GLN A 43 5.084 -5.461 13.207 1.00 0.00 H new ATOM 0 HA GLN A 43 7.854 -5.321 12.198 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.382 -4.535 10.612 1.00 0.00 H new ATOM 0 HB3 GLN A 43 7.046 -4.492 10.062 1.00 0.00 H new ATOM 0 HG2 GLN A 43 7.199 -6.884 10.016 1.00 0.00 H new ATOM 0 HG3 GLN A 43 5.706 -7.072 10.914 1.00 0.00 H new ATOM 0 HE21 GLN A 43 3.666 -6.391 9.874 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.535 -6.511 8.117 1.00 0.00 H new ATOM 689 N LYS A 44 7.952 -2.940 12.841 1.00 0.00 N ATOM 690 CA LYS A 44 8.048 -1.563 13.313 1.00 0.00 C ATOM 691 C LYS A 44 8.556 -0.644 12.207 1.00 0.00 C ATOM 692 O LYS A 44 8.725 0.558 12.414 1.00 0.00 O ATOM 693 CB LYS A 44 8.977 -1.482 14.526 1.00 0.00 C ATOM 694 CG LYS A 44 8.252 -1.591 15.856 1.00 0.00 C ATOM 695 CD LYS A 44 9.096 -1.050 16.998 1.00 0.00 C ATOM 696 CE LYS A 44 10.088 -2.089 17.498 1.00 0.00 C ATOM 697 NZ LYS A 44 9.416 -3.172 18.269 1.00 0.00 N ATOM 0 H LYS A 44 8.851 -3.396 12.685 1.00 0.00 H new ATOM 0 HA LYS A 44 7.051 -1.234 13.605 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.718 -2.279 14.459 1.00 0.00 H new ATOM 0 HB3 LYS A 44 9.520 -0.538 14.494 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.312 -1.041 15.805 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.001 -2.634 16.050 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.634 -0.162 16.666 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.447 -0.741 17.817 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.618 -2.522 16.650 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.835 -1.605 18.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 10.126 -3.701 18.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 8.720 -2.755 18.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.932 -3.817 17.612 1.00 0.00 H new ATOM 711 N LEU A 45 8.796 -1.216 11.032 1.00 0.00 N ATOM 712 CA LEU A 45 9.284 -0.447 9.892 1.00 0.00 C ATOM 713 C LEU A 45 8.405 0.775 9.644 1.00 0.00 C ATOM 714 O LEU A 45 7.336 0.915 10.239 1.00 0.00 O ATOM 715 CB LEU A 45 9.324 -1.324 8.640 1.00 0.00 C ATOM 716 CG LEU A 45 8.106 -2.219 8.408 1.00 0.00 C ATOM 717 CD1 LEU A 45 6.862 -1.377 8.173 1.00 0.00 C ATOM 718 CD2 LEU A 45 8.349 -3.156 7.233 1.00 0.00 C ATOM 0 H LEU A 45 8.661 -2.209 10.844 1.00 0.00 H new ATOM 0 HA LEU A 45 10.293 -0.105 10.120 1.00 0.00 H new ATOM 0 HB2 LEU A 45 9.445 -0.677 7.771 1.00 0.00 H new ATOM 0 HB3 LEU A 45 10.210 -1.957 8.692 1.00 0.00 H new ATOM 0 HG LEU A 45 7.947 -2.823 9.301 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.005 -2.031 8.010 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.678 -0.749 9.044 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.010 -0.747 7.296 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.472 -3.786 7.082 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.534 -2.570 6.333 1.00 0.00 H new ATOM 0 HD23 LEU A 45 9.215 -3.784 7.442 1.00 0.00 H new ATOM 730 N LEU A 46 8.861 1.655 8.760 1.00 0.00 N ATOM 731 CA LEU A 46 8.116 2.865 8.430 1.00 0.00 C ATOM 732 C LEU A 46 7.986 3.029 6.919 1.00 0.00 C ATOM 733 O LEU A 46 8.773 2.474 6.154 1.00 0.00 O ATOM 734 CB LEU A 46 8.804 4.091 9.031 1.00 0.00 C ATOM 735 CG LEU A 46 10.333 4.085 9.003 1.00 0.00 C ATOM 736 CD1 LEU A 46 10.881 3.103 10.027 1.00 0.00 C ATOM 737 CD2 LEU A 46 10.839 3.742 7.609 1.00 0.00 C ATOM 0 H LEU A 46 9.743 1.553 8.259 1.00 0.00 H new ATOM 0 HA LEU A 46 7.116 2.774 8.854 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.454 4.976 8.499 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.480 4.193 10.067 1.00 0.00 H new ATOM 0 HG LEU A 46 10.687 5.083 9.261 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.970 3.112 9.993 1.00 0.00 H new ATOM 0 HD12 LEU A 46 10.547 3.392 11.023 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.519 2.100 9.799 1.00 0.00 H new ATOM 0 HD21 LEU A 46 11.929 3.742 7.607 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.476 2.755 7.323 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.475 4.483 6.897 1.00 0.00 H new ATOM 749 N GLY A 47 6.988 3.799 6.496 1.00 0.00 N ATOM 750 CA GLY A 47 6.775 4.026 5.078 1.00 0.00 C ATOM 751 C GLY A 47 6.238 2.798 4.370 1.00 0.00 C ATOM 752 O GLY A 47 5.045 2.716 4.071 1.00 0.00 O ATOM 0 H GLY A 47 6.323 4.270 7.110 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.077 4.852 4.946 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.715 4.326 4.616 1.00 0.00 H new ATOM 756 N LEU A 48 7.118 1.841 4.097 1.00 0.00 N ATOM 757 CA LEU A 48 6.726 0.612 3.417 1.00 0.00 C ATOM 758 C LEU A 48 5.951 -0.307 4.356 1.00 0.00 C ATOM 759 O LEU A 48 6.182 -0.315 5.566 1.00 0.00 O ATOM 760 CB LEU A 48 7.961 -0.114 2.880 1.00 0.00 C ATOM 761 CG LEU A 48 7.790 -1.605 2.588 1.00 0.00 C ATOM 762 CD1 LEU A 48 6.841 -1.813 1.418 1.00 0.00 C ATOM 763 CD2 LEU A 48 9.138 -2.251 2.305 1.00 0.00 C ATOM 0 H LEU A 48 8.108 1.893 4.336 1.00 0.00 H new ATOM 0 HA LEU A 48 6.078 0.879 2.583 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.278 0.381 1.962 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.769 0.004 3.602 1.00 0.00 H new ATOM 0 HG LEU A 48 7.359 -2.082 3.469 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.731 -2.880 1.224 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.868 -1.386 1.659 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.243 -1.323 0.532 1.00 0.00 H new ATOM 0 HD21 LEU A 48 8.997 -3.312 2.099 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.597 -1.772 1.440 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.787 -2.133 3.172 1.00 0.00 H new ATOM 775 N LYS A 49 5.031 -1.082 3.792 1.00 0.00 N ATOM 776 CA LYS A 49 4.224 -2.008 4.577 1.00 0.00 C ATOM 777 C LYS A 49 3.410 -1.262 5.630 1.00 0.00 C ATOM 778 O LYS A 49 3.666 -1.385 6.828 1.00 0.00 O ATOM 779 CB LYS A 49 5.117 -3.051 5.252 1.00 0.00 C ATOM 780 CG LYS A 49 5.346 -4.293 4.408 1.00 0.00 C ATOM 781 CD LYS A 49 4.046 -5.033 4.143 1.00 0.00 C ATOM 782 CE LYS A 49 4.301 -6.428 3.593 1.00 0.00 C ATOM 783 NZ LYS A 49 4.833 -6.388 2.202 1.00 0.00 N ATOM 0 H LYS A 49 4.826 -1.087 2.793 1.00 0.00 H new ATOM 0 HA LYS A 49 3.535 -2.513 3.900 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.080 -2.597 5.484 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.666 -3.344 6.200 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.805 -4.011 3.460 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.046 -4.956 4.916 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.472 -5.104 5.067 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.441 -4.466 3.435 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.009 -6.949 4.238 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.374 -7.000 3.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.993 -7.358 1.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.146 -5.914 1.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.731 -5.864 2.189 1.00 0.00 H new ATOM 797 N VAL A 50 2.429 -0.489 5.176 1.00 0.00 N ATOM 798 CA VAL A 50 1.576 0.274 6.079 1.00 0.00 C ATOM 799 C VAL A 50 0.509 -0.614 6.709 1.00 0.00 C ATOM 800 O VAL A 50 0.007 -1.544 6.078 1.00 0.00 O ATOM 801 CB VAL A 50 0.890 1.444 5.348 1.00 0.00 C ATOM 802 CG1 VAL A 50 0.076 0.933 4.169 1.00 0.00 C ATOM 803 CG2 VAL A 50 0.013 2.231 6.311 1.00 0.00 C ATOM 0 H VAL A 50 2.205 -0.375 4.187 1.00 0.00 H new ATOM 0 HA VAL A 50 2.221 0.673 6.862 1.00 0.00 H new ATOM 0 HB VAL A 50 1.660 2.113 4.964 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.401 1.773 3.665 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.733 0.416 3.470 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.688 0.243 4.526 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.464 3.054 5.779 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.752 1.575 6.726 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.626 2.629 7.119 1.00 0.00 H new ATOM 813 N LYS A 51 0.165 -0.320 7.959 1.00 0.00 N ATOM 814 CA LYS A 51 -0.844 -1.090 8.676 1.00 0.00 C ATOM 815 C LYS A 51 -2.242 -0.774 8.154 1.00 0.00 C ATOM 816 O LYS A 51 -2.575 0.384 7.904 1.00 0.00 O ATOM 817 CB LYS A 51 -0.769 -0.795 10.176 1.00 0.00 C ATOM 818 CG LYS A 51 -1.598 -1.744 11.024 1.00 0.00 C ATOM 819 CD LYS A 51 -1.834 -1.185 12.417 1.00 0.00 C ATOM 820 CE LYS A 51 -0.608 -1.358 13.302 1.00 0.00 C ATOM 821 NZ LYS A 51 -0.475 -2.756 13.797 1.00 0.00 N ATOM 0 H LYS A 51 0.571 0.446 8.496 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.644 -2.148 8.510 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.271 -0.849 10.497 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.105 0.226 10.354 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.556 -1.926 10.537 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.090 -2.706 11.098 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.088 -0.127 12.348 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.687 -1.688 12.873 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.286 -1.084 12.742 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.673 -0.677 14.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.322 -2.814 14.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.352 -3.038 14.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.302 -3.394 12.994 1.00 0.00 H new ATOM 835 N GLY A 52 -3.057 -1.812 7.993 1.00 0.00 N ATOM 836 CA GLY A 52 -4.410 -1.623 7.503 1.00 0.00 C ATOM 837 C GLY A 52 -4.480 -1.597 5.989 1.00 0.00 C ATOM 838 O GLY A 52 -5.567 -1.592 5.410 1.00 0.00 O ATOM 0 H GLY A 52 -2.805 -2.780 8.193 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.045 -2.425 7.879 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.809 -0.689 7.898 1.00 0.00 H new ATOM 842 N LYS A 53 -3.318 -1.579 5.345 1.00 0.00 N ATOM 843 CA LYS A 53 -3.250 -1.552 3.888 1.00 0.00 C ATOM 844 C LYS A 53 -1.936 -2.147 3.394 1.00 0.00 C ATOM 845 O LYS A 53 -1.032 -1.436 2.954 1.00 0.00 O ATOM 846 CB LYS A 53 -3.398 -0.117 3.377 1.00 0.00 C ATOM 847 CG LYS A 53 -4.817 0.416 3.462 1.00 0.00 C ATOM 848 CD LYS A 53 -5.045 1.556 2.484 1.00 0.00 C ATOM 849 CE LYS A 53 -6.472 2.076 2.556 1.00 0.00 C ATOM 850 NZ LYS A 53 -7.444 1.111 1.970 1.00 0.00 N ATOM 0 H LYS A 53 -2.410 -1.583 5.809 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.070 -2.156 3.499 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.739 0.534 3.952 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.064 -0.073 2.340 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.522 -0.389 3.254 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -5.017 0.761 4.477 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.350 2.367 2.701 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.832 1.216 1.471 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.736 2.271 3.596 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.539 3.026 2.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.390 1.543 1.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -7.150 0.866 1.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.472 0.250 2.552 1.00 0.00 H new ATOM 864 N PRO A 54 -1.825 -3.482 3.465 1.00 0.00 N ATOM 865 CA PRO A 54 -0.626 -4.201 3.027 1.00 0.00 C ATOM 866 C PRO A 54 -0.451 -4.169 1.513 1.00 0.00 C ATOM 867 O PRO A 54 -1.428 -4.197 0.765 1.00 0.00 O ATOM 868 CB PRO A 54 -0.876 -5.633 3.507 1.00 0.00 C ATOM 869 CG PRO A 54 -2.359 -5.752 3.585 1.00 0.00 C ATOM 870 CD PRO A 54 -2.863 -4.391 3.978 1.00 0.00 C ATOM 0 HA PRO A 54 0.285 -3.756 3.427 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -0.456 -6.362 2.814 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -0.413 -5.812 4.477 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -2.777 -6.061 2.627 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -2.652 -6.504 4.318 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.837 -4.180 3.536 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.978 -4.301 5.058 1.00 0.00 H new ATOM 878 N ALA A 55 0.800 -4.112 1.067 1.00 0.00 N ATOM 879 CA ALA A 55 1.102 -4.079 -0.359 1.00 0.00 C ATOM 880 C ALA A 55 0.380 -5.200 -1.099 1.00 0.00 C ATOM 881 O ALA A 55 -0.145 -6.125 -0.481 1.00 0.00 O ATOM 882 CB ALA A 55 2.604 -4.177 -0.582 1.00 0.00 C ATOM 0 H ALA A 55 1.620 -4.088 1.673 1.00 0.00 H new ATOM 0 HA ALA A 55 0.748 -3.129 -0.759 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.816 -4.151 -1.651 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.100 -3.338 -0.094 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.974 -5.112 -0.161 1.00 0.00 H new ATOM 888 N GLU A 56 0.359 -5.109 -2.425 1.00 0.00 N ATOM 889 CA GLU A 56 -0.301 -6.116 -3.248 1.00 0.00 C ATOM 890 C GLU A 56 0.707 -6.831 -4.144 1.00 0.00 C ATOM 891 O GLU A 56 1.730 -6.262 -4.523 1.00 0.00 O ATOM 892 CB GLU A 56 -1.393 -5.471 -4.104 1.00 0.00 C ATOM 893 CG GLU A 56 -2.377 -6.471 -4.689 1.00 0.00 C ATOM 894 CD GLU A 56 -3.711 -5.840 -5.040 1.00 0.00 C ATOM 895 OE1 GLU A 56 -3.719 -4.658 -5.443 1.00 0.00 O ATOM 896 OE2 GLU A 56 -4.745 -6.527 -4.910 1.00 0.00 O ATOM 0 H GLU A 56 0.791 -4.350 -2.952 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.757 -6.850 -2.584 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.939 -4.749 -3.498 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.925 -4.916 -4.917 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.945 -6.919 -5.584 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.538 -7.278 -3.974 1.00 0.00 H new ATOM 903 N ASN A 57 0.409 -8.082 -4.478 1.00 0.00 N ATOM 904 CA ASN A 57 1.288 -8.877 -5.328 1.00 0.00 C ATOM 905 C ASN A 57 1.369 -8.284 -6.731 1.00 0.00 C ATOM 906 O ASN A 57 2.421 -8.316 -7.371 1.00 0.00 O ATOM 907 CB ASN A 57 0.793 -10.322 -5.400 1.00 0.00 C ATOM 908 CG ASN A 57 -0.667 -10.414 -5.801 1.00 0.00 C ATOM 909 OD1 ASN A 57 -1.554 -10.402 -4.813 1.00 0.00 O flip ATOM 910 ND2 ASN A 57 -0.993 -10.494 -6.986 1.00 0.00 N flip ATOM 0 H ASN A 57 -0.435 -8.567 -4.173 1.00 0.00 H new ATOM 0 HA ASN A 57 2.286 -8.864 -4.889 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.399 -10.876 -6.117 1.00 0.00 H new ATOM 0 HB3 ASN A 57 0.931 -10.799 -4.430 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.277 -10.500 -7.713 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.979 -10.554 -7.241 1.00 0.00 H new ATOM 917 N ASP A 58 0.251 -7.743 -7.204 1.00 0.00 N ATOM 918 CA ASP A 58 0.195 -7.141 -8.531 1.00 0.00 C ATOM 919 C ASP A 58 1.286 -6.087 -8.696 1.00 0.00 C ATOM 920 O ASP A 58 1.745 -5.822 -9.808 1.00 0.00 O ATOM 921 CB ASP A 58 -1.179 -6.514 -8.773 1.00 0.00 C ATOM 922 CG ASP A 58 -1.332 -5.981 -10.184 1.00 0.00 C ATOM 923 OD1 ASP A 58 -0.738 -6.573 -11.109 1.00 0.00 O ATOM 924 OD2 ASP A 58 -2.048 -4.974 -10.362 1.00 0.00 O ATOM 0 H ASP A 58 -0.628 -7.709 -6.688 1.00 0.00 H new ATOM 0 HA ASP A 58 0.361 -7.928 -9.267 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.953 -7.258 -8.583 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.335 -5.702 -8.062 1.00 0.00 H new ATOM 929 N VAL A 59 1.695 -5.487 -7.583 1.00 0.00 N ATOM 930 CA VAL A 59 2.731 -4.462 -7.604 1.00 0.00 C ATOM 931 C VAL A 59 3.976 -4.953 -8.335 1.00 0.00 C ATOM 932 O VAL A 59 4.346 -6.123 -8.236 1.00 0.00 O ATOM 933 CB VAL A 59 3.123 -4.031 -6.178 1.00 0.00 C ATOM 934 CG1 VAL A 59 4.268 -3.030 -6.218 1.00 0.00 C ATOM 935 CG2 VAL A 59 1.922 -3.449 -5.449 1.00 0.00 C ATOM 0 H VAL A 59 1.325 -5.693 -6.655 1.00 0.00 H new ATOM 0 HA VAL A 59 2.317 -3.604 -8.134 1.00 0.00 H new ATOM 0 HB VAL A 59 3.460 -4.911 -5.631 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.531 -2.737 -5.202 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.133 -3.486 -6.700 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.961 -2.149 -6.782 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.217 -3.150 -4.443 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.553 -2.579 -5.993 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.134 -4.200 -5.388 1.00 0.00 H new ATOM 945 N LYS A 60 4.619 -4.051 -9.069 1.00 0.00 N ATOM 946 CA LYS A 60 5.824 -4.390 -9.816 1.00 0.00 C ATOM 947 C LYS A 60 6.539 -3.131 -10.295 1.00 0.00 C ATOM 948 O LYS A 60 6.121 -2.013 -9.992 1.00 0.00 O ATOM 949 CB LYS A 60 5.474 -5.277 -11.013 1.00 0.00 C ATOM 950 CG LYS A 60 4.279 -4.782 -11.808 1.00 0.00 C ATOM 951 CD LYS A 60 4.502 -4.935 -13.304 1.00 0.00 C ATOM 952 CE LYS A 60 4.225 -6.358 -13.765 1.00 0.00 C ATOM 953 NZ LYS A 60 2.779 -6.701 -13.671 1.00 0.00 N ATOM 0 H LYS A 60 4.325 -3.079 -9.162 1.00 0.00 H new ATOM 0 HA LYS A 60 6.493 -4.936 -9.150 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.339 -5.339 -11.674 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.271 -6.287 -10.659 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.389 -5.338 -11.513 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.093 -3.734 -11.572 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.853 -4.244 -13.842 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.529 -4.665 -13.550 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.560 -6.477 -14.795 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.804 -7.055 -13.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.571 -7.503 -14.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.547 -6.960 -12.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.208 -5.880 -13.957 1.00 0.00 H new ATOM 967 N LEU A 61 7.619 -3.319 -11.046 1.00 0.00 N ATOM 968 CA LEU A 61 8.392 -2.198 -11.569 1.00 0.00 C ATOM 969 C LEU A 61 7.536 -1.325 -12.481 1.00 0.00 C ATOM 970 O LEU A 61 7.531 -0.101 -12.360 1.00 0.00 O ATOM 971 CB LEU A 61 9.615 -2.709 -12.334 1.00 0.00 C ATOM 972 CG LEU A 61 10.453 -1.647 -13.046 1.00 0.00 C ATOM 973 CD1 LEU A 61 9.861 -1.325 -14.410 1.00 0.00 C ATOM 974 CD2 LEU A 61 10.553 -0.388 -12.196 1.00 0.00 C ATOM 0 H LEU A 61 7.979 -4.237 -11.306 1.00 0.00 H new ATOM 0 HA LEU A 61 8.725 -1.593 -10.726 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.259 -3.243 -11.635 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.278 -3.434 -13.075 1.00 0.00 H new ATOM 0 HG LEU A 61 11.458 -2.043 -13.193 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.471 -0.567 -14.902 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.842 -2.228 -15.021 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.845 -0.949 -14.286 1.00 0.00 H new ATOM 0 HD21 LEU A 61 11.153 0.357 -12.718 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.554 0.011 -12.017 1.00 0.00 H new ATOM 0 HD23 LEU A 61 11.023 -0.629 -11.243 1.00 0.00 H new ATOM 986 N GLY A 62 6.811 -1.964 -13.394 1.00 0.00 N ATOM 987 CA GLY A 62 5.959 -1.230 -14.312 1.00 0.00 C ATOM 988 C GLY A 62 4.775 -0.588 -13.616 1.00 0.00 C ATOM 989 O GLY A 62 4.035 0.185 -14.223 1.00 0.00 O ATOM 0 H GLY A 62 6.798 -2.977 -13.514 1.00 0.00 H new ATOM 0 HA2 GLY A 62 6.546 -0.458 -14.810 1.00 0.00 H new ATOM 0 HA3 GLY A 62 5.598 -1.906 -15.087 1.00 0.00 H new ATOM 993 N ALA A 63 4.594 -0.911 -12.340 1.00 0.00 N ATOM 994 CA ALA A 63 3.492 -0.360 -11.561 1.00 0.00 C ATOM 995 C ALA A 63 3.993 0.660 -10.545 1.00 0.00 C ATOM 996 O ALA A 63 3.204 1.375 -9.926 1.00 0.00 O ATOM 997 CB ALA A 63 2.731 -1.476 -10.861 1.00 0.00 C ATOM 0 H ALA A 63 5.197 -1.552 -11.823 1.00 0.00 H new ATOM 0 HA ALA A 63 2.816 0.152 -12.246 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.911 -1.050 -10.283 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.331 -2.166 -11.604 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.405 -2.013 -10.193 1.00 0.00 H new ATOM 1003 N LEU A 64 5.310 0.722 -10.376 1.00 0.00 N ATOM 1004 CA LEU A 64 5.917 1.654 -9.432 1.00 0.00 C ATOM 1005 C LEU A 64 6.813 2.654 -10.156 1.00 0.00 C ATOM 1006 O LEU A 64 6.588 3.863 -10.096 1.00 0.00 O ATOM 1007 CB LEU A 64 6.728 0.893 -8.382 1.00 0.00 C ATOM 1008 CG LEU A 64 5.990 -0.226 -7.647 1.00 0.00 C ATOM 1009 CD1 LEU A 64 6.968 -1.295 -7.182 1.00 0.00 C ATOM 1010 CD2 LEU A 64 5.211 0.335 -6.466 1.00 0.00 C ATOM 0 H LEU A 64 5.977 0.138 -10.880 1.00 0.00 H new ATOM 0 HA LEU A 64 5.117 2.203 -8.935 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.604 0.465 -8.869 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.091 1.608 -7.644 1.00 0.00 H new ATOM 0 HG LEU A 64 5.283 -0.684 -8.339 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.425 -2.083 -6.661 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.482 -1.718 -8.045 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.699 -0.850 -6.506 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.692 -0.476 -5.954 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.899 0.819 -5.773 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.483 1.064 -6.823 1.00 0.00 H new ATOM 1022 N LYS A 65 7.828 2.142 -10.843 1.00 0.00 N ATOM 1023 CA LYS A 65 8.757 2.989 -11.582 1.00 0.00 C ATOM 1024 C LYS A 65 9.551 3.882 -10.635 1.00 0.00 C ATOM 1025 O LYS A 65 10.051 4.936 -11.031 1.00 0.00 O ATOM 1026 CB LYS A 65 7.999 3.849 -12.596 1.00 0.00 C ATOM 1027 CG LYS A 65 6.996 3.068 -13.427 1.00 0.00 C ATOM 1028 CD LYS A 65 7.690 2.126 -14.397 1.00 0.00 C ATOM 1029 CE LYS A 65 8.426 2.891 -15.487 1.00 0.00 C ATOM 1030 NZ LYS A 65 9.076 1.976 -16.465 1.00 0.00 N ATOM 0 H LYS A 65 8.029 1.144 -10.904 1.00 0.00 H new ATOM 0 HA LYS A 65 9.455 2.342 -12.113 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.477 4.646 -12.066 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.717 4.327 -13.263 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.342 2.497 -12.768 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.363 3.761 -13.981 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.395 1.497 -13.853 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.954 1.462 -14.851 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.726 3.543 -16.009 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.181 3.533 -15.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.567 2.536 -17.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.763 1.371 -15.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.353 1.381 -16.917 1.00 0.00 H new ATOM 1044 N LEU A 66 9.666 3.454 -9.383 1.00 0.00 N ATOM 1045 CA LEU A 66 10.402 4.214 -8.378 1.00 0.00 C ATOM 1046 C LEU A 66 11.881 3.840 -8.387 1.00 0.00 C ATOM 1047 O LEU A 66 12.316 3.004 -9.179 1.00 0.00 O ATOM 1048 CB LEU A 66 9.810 3.969 -6.989 1.00 0.00 C ATOM 1049 CG LEU A 66 8.898 5.068 -6.444 1.00 0.00 C ATOM 1050 CD1 LEU A 66 7.741 4.464 -5.664 1.00 0.00 C ATOM 1051 CD2 LEU A 66 9.688 6.031 -5.570 1.00 0.00 C ATOM 0 H LEU A 66 9.259 2.584 -9.039 1.00 0.00 H new ATOM 0 HA LEU A 66 10.313 5.273 -8.622 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.246 3.037 -7.016 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.631 3.825 -6.287 1.00 0.00 H new ATOM 0 HG LEU A 66 8.489 5.625 -7.287 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.103 5.262 -5.284 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.160 3.815 -6.319 1.00 0.00 H new ATOM 0 HD13 LEU A 66 8.130 3.881 -4.829 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.023 6.807 -5.190 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.126 5.487 -4.733 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.482 6.490 -6.160 1.00 0.00 H new ATOM 1063 N LYS A 67 12.648 4.463 -7.499 1.00 0.00 N ATOM 1064 CA LYS A 67 14.078 4.193 -7.401 1.00 0.00 C ATOM 1065 C LYS A 67 14.462 3.803 -5.977 1.00 0.00 C ATOM 1066 O LYS A 67 13.744 4.082 -5.017 1.00 0.00 O ATOM 1067 CB LYS A 67 14.880 5.421 -7.838 1.00 0.00 C ATOM 1068 CG LYS A 67 14.223 6.740 -7.469 1.00 0.00 C ATOM 1069 CD LYS A 67 13.402 7.295 -8.621 1.00 0.00 C ATOM 1070 CE LYS A 67 14.292 7.873 -9.711 1.00 0.00 C ATOM 1071 NZ LYS A 67 13.733 7.628 -11.070 1.00 0.00 N ATOM 0 H LYS A 67 12.304 5.158 -6.837 1.00 0.00 H new ATOM 0 HA LYS A 67 14.311 3.359 -8.063 1.00 0.00 H new ATOM 0 HB2 LYS A 67 15.870 5.378 -7.384 1.00 0.00 H new ATOM 0 HB3 LYS A 67 15.023 5.386 -8.918 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.582 6.597 -6.599 1.00 0.00 H new ATOM 0 HG3 LYS A 67 14.989 7.462 -7.185 1.00 0.00 H new ATOM 0 HD2 LYS A 67 12.779 6.504 -9.039 1.00 0.00 H new ATOM 0 HD3 LYS A 67 12.729 8.069 -8.251 1.00 0.00 H new ATOM 0 HE2 LYS A 67 14.409 8.945 -9.554 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.286 7.430 -9.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 14.368 8.037 -11.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 13.645 6.604 -11.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 12.796 8.072 -11.145 1.00 0.00 H new ATOM 1085 N PRO A 68 15.620 3.142 -5.836 1.00 0.00 N ATOM 1086 CA PRO A 68 16.126 2.701 -4.532 1.00 0.00 C ATOM 1087 C PRO A 68 16.572 3.868 -3.658 1.00 0.00 C ATOM 1088 O PRO A 68 16.757 3.717 -2.452 1.00 0.00 O ATOM 1089 CB PRO A 68 17.323 1.819 -4.896 1.00 0.00 C ATOM 1090 CG PRO A 68 17.770 2.317 -6.227 1.00 0.00 C ATOM 1091 CD PRO A 68 16.527 2.776 -6.937 1.00 0.00 C ATOM 0 HA PRO A 68 15.360 2.187 -3.951 1.00 0.00 H new ATOM 0 HB2 PRO A 68 18.117 1.904 -4.154 1.00 0.00 H new ATOM 0 HB3 PRO A 68 17.040 0.767 -4.941 1.00 0.00 H new ATOM 0 HG2 PRO A 68 18.482 3.135 -6.118 1.00 0.00 H new ATOM 0 HG3 PRO A 68 18.272 1.530 -6.789 1.00 0.00 H new ATOM 0 HD2 PRO A 68 16.728 3.625 -7.591 1.00 0.00 H new ATOM 0 HD3 PRO A 68 16.105 1.987 -7.559 1.00 0.00 H new ATOM 1099 N ASN A 69 16.741 5.033 -4.275 1.00 0.00 N ATOM 1100 CA ASN A 69 17.164 6.227 -3.552 1.00 0.00 C ATOM 1101 C ASN A 69 16.241 6.503 -2.370 1.00 0.00 C ATOM 1102 O ASN A 69 16.641 7.127 -1.387 1.00 0.00 O ATOM 1103 CB ASN A 69 17.186 7.436 -4.490 1.00 0.00 C ATOM 1104 CG ASN A 69 18.127 8.523 -4.010 1.00 0.00 C ATOM 1105 OD1 ASN A 69 17.691 9.583 -3.560 1.00 0.00 O ATOM 1106 ND2 ASN A 69 19.427 8.265 -4.104 1.00 0.00 N ATOM 0 H ASN A 69 16.592 5.176 -5.274 1.00 0.00 H new ATOM 0 HA ASN A 69 18.170 6.053 -3.171 1.00 0.00 H new ATOM 0 HB2 ASN A 69 17.486 7.113 -5.487 1.00 0.00 H new ATOM 0 HB3 ASN A 69 16.179 7.843 -4.577 1.00 0.00 H new ATOM 0 HD21 ASN A 69 20.108 8.959 -3.797 1.00 0.00 H new ATOM 0 HD22 ASN A 69 19.744 7.373 -4.483 1.00 0.00 H new ATOM 1113 N THR A 70 15.001 6.034 -2.472 1.00 0.00 N ATOM 1114 CA THR A 70 14.020 6.230 -1.412 1.00 0.00 C ATOM 1115 C THR A 70 14.582 5.814 -0.058 1.00 0.00 C ATOM 1116 O THR A 70 14.440 6.532 0.932 1.00 0.00 O ATOM 1117 CB THR A 70 12.730 5.434 -1.686 1.00 0.00 C ATOM 1118 OG1 THR A 70 13.009 4.336 -2.562 1.00 0.00 O ATOM 1119 CG2 THR A 70 11.665 6.326 -2.306 1.00 0.00 C ATOM 0 H THR A 70 14.653 5.516 -3.278 1.00 0.00 H new ATOM 0 HA THR A 70 13.785 7.294 -1.393 1.00 0.00 H new ATOM 0 HB THR A 70 12.355 5.054 -0.736 1.00 0.00 H new ATOM 0 HG1 THR A 70 12.966 4.641 -3.492 1.00 0.00 H new ATOM 0 HG21 THR A 70 10.763 5.742 -2.490 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.434 7.144 -1.624 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.034 6.732 -3.248 1.00 0.00 H new ATOM 1127 N LYS A 71 15.223 4.651 -0.021 1.00 0.00 N ATOM 1128 CA LYS A 71 15.810 4.139 1.212 1.00 0.00 C ATOM 1129 C LYS A 71 14.731 3.866 2.255 1.00 0.00 C ATOM 1130 O LYS A 71 14.067 4.787 2.730 1.00 0.00 O ATOM 1131 CB LYS A 71 16.831 5.135 1.767 1.00 0.00 C ATOM 1132 CG LYS A 71 18.270 4.775 1.442 1.00 0.00 C ATOM 1133 CD LYS A 71 19.213 5.930 1.734 1.00 0.00 C ATOM 1134 CE LYS A 71 19.420 6.117 3.229 1.00 0.00 C ATOM 1135 NZ LYS A 71 20.532 7.064 3.521 1.00 0.00 N ATOM 0 H LYS A 71 15.349 4.045 -0.831 1.00 0.00 H new ATOM 0 HA LYS A 71 16.315 3.201 0.983 1.00 0.00 H new ATOM 0 HB2 LYS A 71 16.614 6.126 1.367 1.00 0.00 H new ATOM 0 HB3 LYS A 71 16.716 5.196 2.849 1.00 0.00 H new ATOM 0 HG2 LYS A 71 18.569 3.904 2.025 1.00 0.00 H new ATOM 0 HG3 LYS A 71 18.348 4.497 0.391 1.00 0.00 H new ATOM 0 HD2 LYS A 71 20.174 5.747 1.253 1.00 0.00 H new ATOM 0 HD3 LYS A 71 18.811 6.847 1.304 1.00 0.00 H new ATOM 0 HE2 LYS A 71 18.499 6.488 3.679 1.00 0.00 H new ATOM 0 HE3 LYS A 71 19.634 5.152 3.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 20.641 7.164 4.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 21.416 6.698 3.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 20.316 7.992 3.104 1.00 0.00 H new ATOM 1149 N ILE A 72 14.564 2.596 2.608 1.00 0.00 N ATOM 1150 CA ILE A 72 13.568 2.203 3.597 1.00 0.00 C ATOM 1151 C ILE A 72 14.231 1.731 4.887 1.00 0.00 C ATOM 1152 O ILE A 72 15.313 1.146 4.863 1.00 0.00 O ATOM 1153 CB ILE A 72 12.655 1.083 3.063 1.00 0.00 C ATOM 1154 CG1 ILE A 72 11.568 0.750 4.086 1.00 0.00 C ATOM 1155 CG2 ILE A 72 13.475 -0.155 2.731 1.00 0.00 C ATOM 1156 CD1 ILE A 72 11.936 -0.390 5.010 1.00 0.00 C ATOM 0 H ILE A 72 15.106 1.822 2.224 1.00 0.00 H new ATOM 0 HA ILE A 72 12.963 3.086 3.804 1.00 0.00 H new ATOM 0 HB ILE A 72 12.173 1.432 2.150 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.358 1.638 4.683 1.00 0.00 H new ATOM 0 HG13 ILE A 72 10.649 0.497 3.558 1.00 0.00 H new ATOM 0 HG21 ILE A 72 12.816 -0.938 2.355 1.00 0.00 H new ATOM 0 HG22 ILE A 72 14.216 0.092 1.971 1.00 0.00 H new ATOM 0 HG23 ILE A 72 13.981 -0.508 3.629 1.00 0.00 H new ATOM 0 HD11 ILE A 72 11.119 -0.571 5.708 1.00 0.00 H new ATOM 0 HD12 ILE A 72 12.117 -1.290 4.423 1.00 0.00 H new ATOM 0 HD13 ILE A 72 12.838 -0.132 5.565 1.00 0.00 H new ATOM 1168 N MET A 73 13.572 1.989 6.013 1.00 0.00 N ATOM 1169 CA MET A 73 14.096 1.587 7.313 1.00 0.00 C ATOM 1170 C MET A 73 13.181 0.561 7.974 1.00 0.00 C ATOM 1171 O MET A 73 11.961 0.717 7.981 1.00 0.00 O ATOM 1172 CB MET A 73 14.253 2.808 8.222 1.00 0.00 C ATOM 1173 CG MET A 73 15.482 2.746 9.115 1.00 0.00 C ATOM 1174 SD MET A 73 16.294 4.346 9.292 1.00 0.00 S ATOM 1175 CE MET A 73 15.194 5.158 10.449 1.00 0.00 C ATOM 0 H MET A 73 12.675 2.474 6.051 1.00 0.00 H new ATOM 0 HA MET A 73 15.073 1.130 7.158 1.00 0.00 H new ATOM 0 HB2 MET A 73 14.307 3.705 7.606 1.00 0.00 H new ATOM 0 HB3 MET A 73 13.365 2.903 8.846 1.00 0.00 H new ATOM 0 HG2 MET A 73 15.193 2.379 10.100 1.00 0.00 H new ATOM 0 HG3 MET A 73 16.190 2.027 8.702 1.00 0.00 H new ATOM 0 HE1 MET A 73 15.563 6.162 10.659 1.00 0.00 H new ATOM 0 HE2 MET A 73 14.195 5.222 10.018 1.00 0.00 H new ATOM 0 HE3 MET A 73 15.153 4.585 11.376 1.00 0.00 H new ATOM 1185 N MET A 74 13.780 -0.488 8.529 1.00 0.00 N ATOM 1186 CA MET A 74 13.018 -1.539 9.193 1.00 0.00 C ATOM 1187 C MET A 74 13.377 -1.617 10.674 1.00 0.00 C ATOM 1188 O MET A 74 14.531 -1.854 11.031 1.00 0.00 O ATOM 1189 CB MET A 74 13.278 -2.889 8.522 1.00 0.00 C ATOM 1190 CG MET A 74 12.384 -4.006 9.036 1.00 0.00 C ATOM 1191 SD MET A 74 12.884 -5.629 8.433 1.00 0.00 S ATOM 1192 CE MET A 74 14.465 -5.822 9.252 1.00 0.00 C ATOM 0 H MET A 74 14.790 -0.632 8.532 1.00 0.00 H new ATOM 0 HA MET A 74 11.959 -1.296 9.106 1.00 0.00 H new ATOM 0 HB2 MET A 74 13.133 -2.785 7.447 1.00 0.00 H new ATOM 0 HB3 MET A 74 14.320 -3.168 8.678 1.00 0.00 H new ATOM 0 HG2 MET A 74 12.400 -4.007 10.126 1.00 0.00 H new ATOM 0 HG3 MET A 74 11.355 -3.811 8.733 1.00 0.00 H new ATOM 0 HE1 MET A 74 14.636 -6.876 9.469 1.00 0.00 H new ATOM 0 HE2 MET A 74 15.259 -5.452 8.603 1.00 0.00 H new ATOM 0 HE3 MET A 74 14.464 -5.255 10.183 1.00 0.00 H new ATOM 1202 N MET A 75 12.381 -1.416 11.531 1.00 0.00 N ATOM 1203 CA MET A 75 12.593 -1.465 12.973 1.00 0.00 C ATOM 1204 C MET A 75 12.046 -2.763 13.559 1.00 0.00 C ATOM 1205 O MET A 75 11.104 -3.348 13.026 1.00 0.00 O ATOM 1206 CB MET A 75 11.926 -0.266 13.649 1.00 0.00 C ATOM 1207 CG MET A 75 12.843 0.938 13.794 1.00 0.00 C ATOM 1208 SD MET A 75 11.938 2.496 13.867 1.00 0.00 S ATOM 1209 CE MET A 75 13.143 3.549 14.671 1.00 0.00 C ATOM 0 H MET A 75 11.420 -1.218 11.252 1.00 0.00 H new ATOM 0 HA MET A 75 13.666 -1.427 13.159 1.00 0.00 H new ATOM 0 HB2 MET A 75 11.048 0.024 13.072 1.00 0.00 H new ATOM 0 HB3 MET A 75 11.574 -0.565 14.636 1.00 0.00 H new ATOM 0 HG2 MET A 75 13.441 0.827 14.698 1.00 0.00 H new ATOM 0 HG3 MET A 75 13.537 0.964 12.954 1.00 0.00 H new ATOM 0 HE1 MET A 75 12.730 4.551 14.788 1.00 0.00 H new ATOM 0 HE2 MET A 75 13.387 3.140 15.652 1.00 0.00 H new ATOM 0 HE3 MET A 75 14.047 3.598 14.063 1.00 0.00 H new ATOM 1219 N GLY A 76 12.645 -3.209 14.660 1.00 0.00 N ATOM 1220 CA GLY A 76 12.204 -4.435 15.299 1.00 0.00 C ATOM 1221 C GLY A 76 12.228 -5.621 14.357 1.00 0.00 C ATOM 1222 O GLY A 76 13.297 -6.107 13.983 1.00 0.00 O ATOM 0 H GLY A 76 13.427 -2.743 15.120 1.00 0.00 H new ATOM 0 HA2 GLY A 76 12.843 -4.644 16.157 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.192 -4.298 15.680 1.00 0.00 H new ATOM 1226 N THR A 77 11.046 -6.093 13.970 1.00 0.00 N ATOM 1227 CA THR A 77 10.936 -7.232 13.068 1.00 0.00 C ATOM 1228 C THR A 77 11.865 -8.362 13.493 1.00 0.00 C ATOM 1229 O THR A 77 12.704 -8.816 12.714 1.00 0.00 O ATOM 1230 CB THR A 77 11.262 -6.832 11.617 1.00 0.00 C ATOM 1231 OG1 THR A 77 12.362 -5.915 11.596 1.00 0.00 O ATOM 1232 CG2 THR A 77 10.054 -6.198 10.945 1.00 0.00 C ATOM 0 H THR A 77 10.152 -5.703 14.268 1.00 0.00 H new ATOM 0 HA THR A 77 9.903 -7.577 13.119 1.00 0.00 H new ATOM 0 HB THR A 77 11.531 -7.734 11.068 1.00 0.00 H new ATOM 0 HG1 THR A 77 13.114 -6.295 12.097 1.00 0.00 H new ATOM 0 HG21 THR A 77 10.309 -5.924 9.921 1.00 0.00 H new ATOM 0 HG22 THR A 77 9.228 -6.909 10.935 1.00 0.00 H new ATOM 0 HG23 THR A 77 9.758 -5.306 11.496 1.00 0.00 H new