USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=16 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 29 LYS NZ :NH3+ -144:sc= -0.0173 (180deg=-0.336) USER MOD Set 1.2: A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 153:sc= 0.455 (180deg=0.133) USER MOD Single : A 5 MET CE :methyl -125:sc= -3.25 (180deg=-14.2!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.0261 K(o=-0.026,f=-0.63) USER MOD Single : A 14 TYR OH : rot 180:sc= -0.683 USER MOD Single : A 15 SER OG : rot 38:sc= 1.06 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.173 USER MOD Single : A 18 THR OG1 : rot -35:sc= -2.52! USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -133:sc= -1.25 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -15:sc= 0.307 USER MOD Single : A 36 THR OG1 : rot 180:sc= -1.27 USER MOD Single : A 43 GLN : amide:sc= -1.49 K(o=-1.5,f=-2.9) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN :FLIP amide:sc= -0.0558 F(o=-0.61,f=-0.056) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 158:sc= -0.0505 (180deg=-0.359) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 70 THR OG1 : rot -85:sc= 0.588 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 74 MET CE :methyl -131:sc= -3.28 (180deg=-9.41!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 53:sc= 0.46 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.734 -0.063 -0.442 1.00 0.00 N ATOM 2 CA MET A 1 1.612 -0.316 -1.578 1.00 0.00 C ATOM 3 C MET A 1 3.069 -0.386 -1.134 1.00 0.00 C ATOM 4 O MET A 1 3.461 0.250 -0.155 1.00 0.00 O ATOM 5 CB MET A 1 1.441 0.776 -2.636 1.00 0.00 C ATOM 6 CG MET A 1 0.190 0.610 -3.484 1.00 0.00 C ATOM 7 SD MET A 1 -1.264 1.367 -2.733 1.00 0.00 S ATOM 8 CE MET A 1 -1.779 2.480 -4.038 1.00 0.00 C ATOM 0 H1 MET A 1 -0.127 0.421 -0.769 1.00 0.00 H new ATOM 0 H2 MET A 1 0.475 -0.966 0.005 1.00 0.00 H new ATOM 0 H3 MET A 1 1.226 0.537 0.250 1.00 0.00 H new ATOM 0 HA MET A 1 1.336 -1.277 -2.011 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.409 1.747 -2.142 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.314 0.779 -3.288 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.360 1.053 -4.465 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.001 -0.452 -3.642 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.670 3.022 -3.723 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.978 3.189 -4.249 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.002 1.907 -4.938 1.00 0.00 H new ATOM 18 N ALA A 2 3.868 -1.162 -1.859 1.00 0.00 N ATOM 19 CA ALA A 2 5.282 -1.313 -1.540 1.00 0.00 C ATOM 20 C ALA A 2 6.157 -0.633 -2.587 1.00 0.00 C ATOM 21 O ALA A 2 5.867 -0.687 -3.783 1.00 0.00 O ATOM 22 CB ALA A 2 5.643 -2.786 -1.424 1.00 0.00 C ATOM 0 H ALA A 2 3.560 -1.696 -2.672 1.00 0.00 H new ATOM 0 HA ALA A 2 5.466 -0.829 -0.581 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.702 -2.883 -1.185 1.00 0.00 H new ATOM 0 HB2 ALA A 2 5.049 -3.245 -0.633 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.437 -3.287 -2.370 1.00 0.00 H new ATOM 28 N LEU A 3 7.228 0.007 -2.132 1.00 0.00 N ATOM 29 CA LEU A 3 8.146 0.699 -3.030 1.00 0.00 C ATOM 30 C LEU A 3 9.514 0.025 -3.037 1.00 0.00 C ATOM 31 O LEU A 3 9.968 -0.523 -2.032 1.00 0.00 O ATOM 32 CB LEU A 3 8.289 2.164 -2.616 1.00 0.00 C ATOM 33 CG LEU A 3 6.993 2.888 -2.250 1.00 0.00 C ATOM 34 CD1 LEU A 3 5.868 2.475 -3.187 1.00 0.00 C ATOM 35 CD2 LEU A 3 6.615 2.606 -0.803 1.00 0.00 C ATOM 0 H LEU A 3 7.482 0.061 -1.146 1.00 0.00 H new ATOM 0 HA LEU A 3 7.733 0.651 -4.038 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.964 2.215 -1.761 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.767 2.706 -3.432 1.00 0.00 H new ATOM 0 HG LEU A 3 7.155 3.960 -2.360 1.00 0.00 H new ATOM 0 HD11 LEU A 3 4.954 3.000 -2.911 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.137 2.728 -4.212 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.706 1.400 -3.110 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.690 3.129 -0.560 1.00 0.00 H new ATOM 0 HD22 LEU A 3 6.472 1.534 -0.667 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.412 2.952 -0.145 1.00 0.00 H new ATOM 47 N PRO A 4 10.189 0.066 -4.195 1.00 0.00 N ATOM 48 CA PRO A 4 11.517 -0.534 -4.359 1.00 0.00 C ATOM 49 C PRO A 4 12.594 0.224 -3.591 1.00 0.00 C ATOM 50 O PRO A 4 13.252 1.109 -4.137 1.00 0.00 O ATOM 51 CB PRO A 4 11.766 -0.436 -5.866 1.00 0.00 C ATOM 52 CG PRO A 4 10.926 0.709 -6.316 1.00 0.00 C ATOM 53 CD PRO A 4 9.709 0.702 -5.433 1.00 0.00 C ATOM 0 HA PRO A 4 11.555 -1.552 -3.972 1.00 0.00 H new ATOM 0 HB2 PRO A 4 12.820 -0.263 -6.082 1.00 0.00 H new ATOM 0 HB3 PRO A 4 11.484 -1.358 -6.375 1.00 0.00 H new ATOM 0 HG2 PRO A 4 11.468 1.650 -6.225 1.00 0.00 H new ATOM 0 HG3 PRO A 4 10.648 0.601 -7.364 1.00 0.00 H new ATOM 0 HD2 PRO A 4 9.340 1.711 -5.249 1.00 0.00 H new ATOM 0 HD3 PRO A 4 8.890 0.140 -5.882 1.00 0.00 H new ATOM 61 N MET A 5 12.769 -0.130 -2.322 1.00 0.00 N ATOM 62 CA MET A 5 13.769 0.516 -1.479 1.00 0.00 C ATOM 63 C MET A 5 14.594 -0.520 -0.723 1.00 0.00 C ATOM 64 O MET A 5 14.262 -1.706 -0.715 1.00 0.00 O ATOM 65 CB MET A 5 13.095 1.469 -0.491 1.00 0.00 C ATOM 66 CG MET A 5 11.799 2.068 -1.012 1.00 0.00 C ATOM 67 SD MET A 5 11.052 3.226 0.151 1.00 0.00 S ATOM 68 CE MET A 5 10.200 4.331 -0.972 1.00 0.00 C ATOM 0 H MET A 5 12.232 -0.860 -1.855 1.00 0.00 H new ATOM 0 HA MET A 5 14.438 1.086 -2.124 1.00 0.00 H new ATOM 0 HB2 MET A 5 12.891 0.933 0.436 1.00 0.00 H new ATOM 0 HB3 MET A 5 13.786 2.276 -0.248 1.00 0.00 H new ATOM 0 HG2 MET A 5 11.993 2.580 -1.954 1.00 0.00 H new ATOM 0 HG3 MET A 5 11.092 1.266 -1.225 1.00 0.00 H new ATOM 0 HE1 MET A 5 10.518 5.357 -0.785 1.00 0.00 H new ATOM 0 HE2 MET A 5 10.438 4.059 -2.000 1.00 0.00 H new ATOM 0 HE3 MET A 5 9.124 4.251 -0.815 1.00 0.00 H new ATOM 78 N ILE A 6 15.670 -0.065 -0.089 1.00 0.00 N ATOM 79 CA ILE A 6 16.541 -0.953 0.670 1.00 0.00 C ATOM 80 C ILE A 6 16.438 -0.677 2.166 1.00 0.00 C ATOM 81 O ILE A 6 16.410 0.476 2.595 1.00 0.00 O ATOM 82 CB ILE A 6 18.011 -0.809 0.233 1.00 0.00 C ATOM 83 CG1 ILE A 6 18.156 -1.124 -1.257 1.00 0.00 C ATOM 84 CG2 ILE A 6 18.902 -1.722 1.062 1.00 0.00 C ATOM 85 CD1 ILE A 6 19.532 -0.821 -1.808 1.00 0.00 C ATOM 0 H ILE A 6 15.959 0.913 -0.086 1.00 0.00 H new ATOM 0 HA ILE A 6 16.208 -1.971 0.467 1.00 0.00 H new ATOM 0 HB ILE A 6 18.325 0.221 0.400 1.00 0.00 H new ATOM 0 HG12 ILE A 6 17.932 -2.178 -1.421 1.00 0.00 H new ATOM 0 HG13 ILE A 6 17.416 -0.551 -1.815 1.00 0.00 H new ATOM 0 HG21 ILE A 6 19.938 -1.609 0.741 1.00 0.00 H new ATOM 0 HG22 ILE A 6 18.817 -1.455 2.115 1.00 0.00 H new ATOM 0 HG23 ILE A 6 18.591 -2.757 0.924 1.00 0.00 H new ATOM 0 HD11 ILE A 6 19.562 -1.069 -2.869 1.00 0.00 H new ATOM 0 HD12 ILE A 6 19.751 0.239 -1.676 1.00 0.00 H new ATOM 0 HD13 ILE A 6 20.276 -1.414 -1.276 1.00 0.00 H new ATOM 97 N VAL A 7 16.384 -1.744 2.957 1.00 0.00 N ATOM 98 CA VAL A 7 16.287 -1.618 4.406 1.00 0.00 C ATOM 99 C VAL A 7 17.634 -1.875 5.072 1.00 0.00 C ATOM 100 O VAL A 7 18.320 -2.848 4.756 1.00 0.00 O ATOM 101 CB VAL A 7 15.245 -2.593 4.987 1.00 0.00 C ATOM 102 CG1 VAL A 7 15.479 -4.000 4.458 1.00 0.00 C ATOM 103 CG2 VAL A 7 15.286 -2.572 6.507 1.00 0.00 C ATOM 0 H VAL A 7 16.406 -2.706 2.618 1.00 0.00 H new ATOM 0 HA VAL A 7 15.972 -0.595 4.613 1.00 0.00 H new ATOM 0 HB VAL A 7 14.253 -2.271 4.669 1.00 0.00 H new ATOM 0 HG11 VAL A 7 14.734 -4.675 4.879 1.00 0.00 H new ATOM 0 HG12 VAL A 7 15.395 -3.999 3.371 1.00 0.00 H new ATOM 0 HG13 VAL A 7 16.476 -4.335 4.745 1.00 0.00 H new ATOM 0 HG21 VAL A 7 14.544 -3.266 6.901 1.00 0.00 H new ATOM 0 HG22 VAL A 7 16.278 -2.869 6.848 1.00 0.00 H new ATOM 0 HG23 VAL A 7 15.066 -1.566 6.863 1.00 0.00 H new ATOM 113 N LYS A 8 18.009 -0.997 5.996 1.00 0.00 N ATOM 114 CA LYS A 8 19.274 -1.129 6.709 1.00 0.00 C ATOM 115 C LYS A 8 19.088 -0.867 8.200 1.00 0.00 C ATOM 116 O LYS A 8 19.514 0.166 8.716 1.00 0.00 O ATOM 117 CB LYS A 8 20.310 -0.160 6.135 1.00 0.00 C ATOM 118 CG LYS A 8 20.348 -0.140 4.617 1.00 0.00 C ATOM 119 CD LYS A 8 21.628 0.497 4.100 1.00 0.00 C ATOM 120 CE LYS A 8 21.816 0.241 2.613 1.00 0.00 C ATOM 121 NZ LYS A 8 20.894 1.067 1.786 1.00 0.00 N ATOM 0 H LYS A 8 17.454 -0.186 6.269 1.00 0.00 H new ATOM 0 HA LYS A 8 19.631 -2.151 6.580 1.00 0.00 H new ATOM 0 HB2 LYS A 8 20.095 0.845 6.498 1.00 0.00 H new ATOM 0 HB3 LYS A 8 21.296 -0.431 6.511 1.00 0.00 H new ATOM 0 HG2 LYS A 8 20.268 -1.158 4.237 1.00 0.00 H new ATOM 0 HG3 LYS A 8 19.487 0.411 4.238 1.00 0.00 H new ATOM 0 HD2 LYS A 8 21.602 1.571 4.285 1.00 0.00 H new ATOM 0 HD3 LYS A 8 22.481 0.100 4.650 1.00 0.00 H new ATOM 0 HE2 LYS A 8 22.847 0.459 2.335 1.00 0.00 H new ATOM 0 HE3 LYS A 8 21.645 -0.815 2.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 21.054 0.863 0.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 19.909 0.841 2.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 21.074 2.075 1.968 1.00 0.00 H new ATOM 135 N TRP A 9 18.451 -1.809 8.887 1.00 0.00 N ATOM 136 CA TRP A 9 18.210 -1.679 10.319 1.00 0.00 C ATOM 137 C TRP A 9 19.336 -2.323 11.121 1.00 0.00 C ATOM 138 O TRP A 9 19.987 -3.257 10.655 1.00 0.00 O ATOM 139 CB TRP A 9 16.872 -2.319 10.692 1.00 0.00 C ATOM 140 CG TRP A 9 16.508 -2.137 12.135 1.00 0.00 C ATOM 141 CD1 TRP A 9 16.130 -3.111 13.014 1.00 0.00 C ATOM 142 CD2 TRP A 9 16.487 -0.905 12.864 1.00 0.00 C ATOM 143 NE1 TRP A 9 15.874 -2.559 14.246 1.00 0.00 N ATOM 144 CE2 TRP A 9 16.087 -1.207 14.181 1.00 0.00 C ATOM 145 CE3 TRP A 9 16.768 0.423 12.535 1.00 0.00 C ATOM 146 CZ2 TRP A 9 15.961 -0.229 15.164 1.00 0.00 C ATOM 147 CZ3 TRP A 9 16.643 1.393 13.511 1.00 0.00 C ATOM 148 CH2 TRP A 9 16.243 1.063 14.813 1.00 0.00 C ATOM 0 H TRP A 9 18.092 -2.671 8.475 1.00 0.00 H new ATOM 0 HA TRP A 9 18.177 -0.617 10.562 1.00 0.00 H new ATOM 0 HB2 TRP A 9 16.086 -1.890 10.070 1.00 0.00 H new ATOM 0 HB3 TRP A 9 16.912 -3.385 10.466 1.00 0.00 H new ATOM 0 HD1 TRP A 9 16.045 -4.161 12.776 1.00 0.00 H new ATOM 0 HE1 TRP A 9 15.574 -3.072 15.075 1.00 0.00 H new ATOM 0 HE3 TRP A 9 17.078 0.687 11.535 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 15.652 -0.481 16.168 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 16.857 2.423 13.266 1.00 0.00 H new ATOM 0 HH2 TRP A 9 16.156 1.844 15.554 1.00 0.00 H new ATOM 159 N GLY A 10 19.560 -1.817 12.330 1.00 0.00 N ATOM 160 CA GLY A 10 20.609 -2.355 13.177 1.00 0.00 C ATOM 161 C GLY A 10 20.536 -3.864 13.301 1.00 0.00 C ATOM 162 O GLY A 10 21.554 -4.529 13.488 1.00 0.00 O ATOM 0 H GLY A 10 19.034 -1.044 12.738 1.00 0.00 H new ATOM 0 HA2 GLY A 10 21.580 -2.073 12.771 1.00 0.00 H new ATOM 0 HA3 GLY A 10 20.537 -1.908 14.168 1.00 0.00 H new ATOM 166 N GLY A 11 19.327 -4.408 13.197 1.00 0.00 N ATOM 167 CA GLY A 11 19.147 -5.844 13.303 1.00 0.00 C ATOM 168 C GLY A 11 19.492 -6.568 12.017 1.00 0.00 C ATOM 169 O GLY A 11 20.198 -7.576 12.036 1.00 0.00 O ATOM 0 H GLY A 11 18.469 -3.879 13.041 1.00 0.00 H new ATOM 0 HA2 GLY A 11 19.771 -6.227 14.110 1.00 0.00 H new ATOM 0 HA3 GLY A 11 18.112 -6.059 13.571 1.00 0.00 H new ATOM 173 N GLN A 12 18.993 -6.054 10.898 1.00 0.00 N ATOM 174 CA GLN A 12 19.251 -6.660 9.598 1.00 0.00 C ATOM 175 C GLN A 12 19.256 -5.605 8.496 1.00 0.00 C ATOM 176 O GLN A 12 18.605 -4.568 8.615 1.00 0.00 O ATOM 177 CB GLN A 12 18.200 -7.729 9.292 1.00 0.00 C ATOM 178 CG GLN A 12 16.771 -7.214 9.361 1.00 0.00 C ATOM 179 CD GLN A 12 15.764 -8.321 9.603 1.00 0.00 C ATOM 180 OE1 GLN A 12 15.982 -9.205 10.432 1.00 0.00 O ATOM 181 NE2 GLN A 12 14.652 -8.277 8.878 1.00 0.00 N ATOM 0 H GLN A 12 18.408 -5.219 10.866 1.00 0.00 H new ATOM 0 HA GLN A 12 20.235 -7.127 9.633 1.00 0.00 H new ATOM 0 HB2 GLN A 12 18.384 -8.133 8.297 1.00 0.00 H new ATOM 0 HB3 GLN A 12 18.315 -8.552 9.997 1.00 0.00 H new ATOM 0 HG2 GLN A 12 16.693 -6.476 10.159 1.00 0.00 H new ATOM 0 HG3 GLN A 12 16.527 -6.703 8.429 1.00 0.00 H new ATOM 0 HE21 GLN A 12 14.513 -7.526 8.202 1.00 0.00 H new ATOM 0 HE22 GLN A 12 13.937 -8.995 8.997 1.00 0.00 H new ATOM 190 N GLU A 13 19.996 -5.878 7.426 1.00 0.00 N ATOM 191 CA GLU A 13 20.086 -4.951 6.304 1.00 0.00 C ATOM 192 C GLU A 13 19.712 -5.642 4.995 1.00 0.00 C ATOM 193 O GLU A 13 20.582 -6.039 4.220 1.00 0.00 O ATOM 194 CB GLU A 13 21.499 -4.374 6.203 1.00 0.00 C ATOM 195 CG GLU A 13 21.667 -3.368 5.076 1.00 0.00 C ATOM 196 CD GLU A 13 23.013 -3.482 4.388 1.00 0.00 C ATOM 197 OE1 GLU A 13 24.041 -3.509 5.097 1.00 0.00 O ATOM 198 OE2 GLU A 13 23.039 -3.545 3.141 1.00 0.00 O ATOM 0 H GLU A 13 20.541 -6.733 7.313 1.00 0.00 H new ATOM 0 HA GLU A 13 19.381 -4.139 6.480 1.00 0.00 H new ATOM 0 HB2 GLU A 13 21.755 -3.894 7.148 1.00 0.00 H new ATOM 0 HB3 GLU A 13 22.206 -5.191 6.058 1.00 0.00 H new ATOM 0 HG2 GLU A 13 20.875 -3.515 4.342 1.00 0.00 H new ATOM 0 HG3 GLU A 13 21.551 -2.360 5.474 1.00 0.00 H new ATOM 205 N TYR A 14 18.413 -5.781 4.758 1.00 0.00 N ATOM 206 CA TYR A 14 17.923 -6.427 3.545 1.00 0.00 C ATOM 207 C TYR A 14 17.606 -5.394 2.468 1.00 0.00 C ATOM 208 O TYR A 14 17.955 -4.220 2.596 1.00 0.00 O ATOM 209 CB TYR A 14 16.676 -7.257 3.853 1.00 0.00 C ATOM 210 CG TYR A 14 16.690 -8.629 3.217 1.00 0.00 C ATOM 211 CD1 TYR A 14 17.759 -9.495 3.412 1.00 0.00 C ATOM 212 CD2 TYR A 14 15.636 -9.059 2.421 1.00 0.00 C ATOM 213 CE1 TYR A 14 17.777 -10.750 2.833 1.00 0.00 C ATOM 214 CE2 TYR A 14 15.644 -10.311 1.839 1.00 0.00 C ATOM 215 CZ TYR A 14 16.717 -11.153 2.048 1.00 0.00 C ATOM 216 OH TYR A 14 16.730 -12.401 1.468 1.00 0.00 O ATOM 0 H TYR A 14 17.680 -5.456 5.389 1.00 0.00 H new ATOM 0 HA TYR A 14 18.707 -7.086 3.172 1.00 0.00 H new ATOM 0 HB2 TYR A 14 16.581 -7.367 4.933 1.00 0.00 H new ATOM 0 HB3 TYR A 14 15.795 -6.715 3.509 1.00 0.00 H new ATOM 0 HD1 TYR A 14 18.590 -9.182 4.027 1.00 0.00 H new ATOM 0 HD2 TYR A 14 14.795 -8.402 2.254 1.00 0.00 H new ATOM 0 HE1 TYR A 14 18.616 -11.411 2.994 1.00 0.00 H new ATOM 0 HE2 TYR A 14 14.815 -10.629 1.224 1.00 0.00 H new ATOM 0 HH TYR A 14 15.909 -12.529 0.948 1.00 0.00 H new ATOM 226 N SER A 15 16.942 -5.839 1.407 1.00 0.00 N ATOM 227 CA SER A 15 16.580 -4.956 0.305 1.00 0.00 C ATOM 228 C SER A 15 15.161 -5.240 -0.176 1.00 0.00 C ATOM 229 O SER A 15 14.927 -6.175 -0.942 1.00 0.00 O ATOM 230 CB SER A 15 17.566 -5.121 -0.854 1.00 0.00 C ATOM 231 OG SER A 15 17.515 -6.435 -1.384 1.00 0.00 O ATOM 0 H SER A 15 16.643 -6.807 1.287 1.00 0.00 H new ATOM 0 HA SER A 15 16.623 -3.929 0.667 1.00 0.00 H new ATOM 0 HB2 SER A 15 17.334 -4.400 -1.638 1.00 0.00 H new ATOM 0 HB3 SER A 15 18.577 -4.903 -0.509 1.00 0.00 H new ATOM 0 HG SER A 15 16.587 -6.749 -1.390 1.00 0.00 H new ATOM 237 N VAL A 16 14.214 -4.425 0.280 1.00 0.00 N ATOM 238 CA VAL A 16 12.817 -4.587 -0.103 1.00 0.00 C ATOM 239 C VAL A 16 12.544 -3.956 -1.464 1.00 0.00 C ATOM 240 O VAL A 16 11.658 -3.112 -1.604 1.00 0.00 O ATOM 241 CB VAL A 16 11.873 -3.960 0.940 1.00 0.00 C ATOM 242 CG1 VAL A 16 11.956 -4.715 2.257 1.00 0.00 C ATOM 243 CG2 VAL A 16 12.201 -2.487 1.137 1.00 0.00 C ATOM 0 H VAL A 16 14.390 -3.646 0.915 1.00 0.00 H new ATOM 0 HA VAL A 16 12.626 -5.659 -0.157 1.00 0.00 H new ATOM 0 HB VAL A 16 10.850 -4.034 0.571 1.00 0.00 H new ATOM 0 HG11 VAL A 16 11.282 -4.258 2.982 1.00 0.00 H new ATOM 0 HG12 VAL A 16 11.668 -5.754 2.099 1.00 0.00 H new ATOM 0 HG13 VAL A 16 12.977 -4.675 2.636 1.00 0.00 H new ATOM 0 HG21 VAL A 16 11.525 -2.059 1.877 1.00 0.00 H new ATOM 0 HG22 VAL A 16 13.229 -2.387 1.484 1.00 0.00 H new ATOM 0 HG23 VAL A 16 12.084 -1.959 0.191 1.00 0.00 H new ATOM 253 N THR A 17 13.310 -4.373 -2.468 1.00 0.00 N ATOM 254 CA THR A 17 13.151 -3.849 -3.819 1.00 0.00 C ATOM 255 C THR A 17 11.913 -4.430 -4.492 1.00 0.00 C ATOM 256 O THR A 17 11.258 -5.320 -3.950 1.00 0.00 O ATOM 257 CB THR A 17 14.385 -4.154 -4.688 1.00 0.00 C ATOM 258 OG1 THR A 17 14.267 -3.497 -5.955 1.00 0.00 O ATOM 259 CG2 THR A 17 14.540 -5.652 -4.901 1.00 0.00 C ATOM 0 H THR A 17 14.046 -5.072 -2.371 1.00 0.00 H new ATOM 0 HA THR A 17 13.038 -2.769 -3.728 1.00 0.00 H new ATOM 0 HB THR A 17 15.268 -3.783 -4.168 1.00 0.00 H new ATOM 0 HG1 THR A 17 15.057 -3.695 -6.501 1.00 0.00 H new ATOM 0 HG21 THR A 17 15.418 -5.843 -5.518 1.00 0.00 H new ATOM 0 HG22 THR A 17 14.659 -6.146 -3.937 1.00 0.00 H new ATOM 0 HG23 THR A 17 13.654 -6.042 -5.401 1.00 0.00 H new ATOM 267 N THR A 18 11.596 -3.921 -5.679 1.00 0.00 N ATOM 268 CA THR A 18 10.436 -4.388 -6.426 1.00 0.00 C ATOM 269 C THR A 18 10.815 -5.515 -7.381 1.00 0.00 C ATOM 270 O THR A 18 9.951 -6.117 -8.021 1.00 0.00 O ATOM 271 CB THR A 18 9.787 -3.246 -7.230 1.00 0.00 C ATOM 272 OG1 THR A 18 8.525 -3.672 -7.756 1.00 0.00 O ATOM 273 CG2 THR A 18 10.694 -2.803 -8.369 1.00 0.00 C ATOM 0 H THR A 18 12.128 -3.185 -6.143 1.00 0.00 H new ATOM 0 HA THR A 18 9.718 -4.760 -5.695 1.00 0.00 H new ATOM 0 HB THR A 18 9.633 -2.401 -6.559 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.576 -4.619 -8.002 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.215 -1.996 -8.923 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.643 -2.451 -7.963 1.00 0.00 H new ATOM 0 HG23 THR A 18 10.875 -3.644 -9.038 1.00 0.00 H new ATOM 281 N LEU A 19 12.110 -5.796 -7.473 1.00 0.00 N ATOM 282 CA LEU A 19 12.603 -6.852 -8.350 1.00 0.00 C ATOM 283 C LEU A 19 12.408 -6.478 -9.815 1.00 0.00 C ATOM 284 O LEU A 19 12.005 -5.359 -10.133 1.00 0.00 O ATOM 285 CB LEU A 19 11.887 -8.169 -8.048 1.00 0.00 C ATOM 286 CG LEU A 19 11.608 -8.459 -6.572 1.00 0.00 C ATOM 287 CD1 LEU A 19 10.662 -9.641 -6.430 1.00 0.00 C ATOM 288 CD2 LEU A 19 12.908 -8.722 -5.826 1.00 0.00 C ATOM 0 H LEU A 19 12.838 -5.307 -6.951 1.00 0.00 H new ATOM 0 HA LEU A 19 13.670 -6.975 -8.165 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.938 -8.175 -8.584 1.00 0.00 H new ATOM 0 HB3 LEU A 19 12.486 -8.986 -8.451 1.00 0.00 H new ATOM 0 HG LEU A 19 11.131 -7.583 -6.133 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.475 -9.833 -5.373 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.720 -9.415 -6.930 1.00 0.00 H new ATOM 0 HD13 LEU A 19 11.112 -10.524 -6.885 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.691 -8.926 -4.778 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.413 -9.582 -6.266 1.00 0.00 H new ATOM 0 HD23 LEU A 19 13.553 -7.846 -5.899 1.00 0.00 H new ATOM 300 N SER A 20 12.694 -7.423 -10.705 1.00 0.00 N ATOM 301 CA SER A 20 12.552 -7.193 -12.138 1.00 0.00 C ATOM 302 C SER A 20 11.086 -7.257 -12.555 1.00 0.00 C ATOM 303 O SER A 20 10.257 -7.844 -11.860 1.00 0.00 O ATOM 304 CB SER A 20 13.364 -8.223 -12.925 1.00 0.00 C ATOM 305 OG SER A 20 13.722 -7.723 -14.201 1.00 0.00 O ATOM 0 H SER A 20 13.026 -8.356 -10.459 1.00 0.00 H new ATOM 0 HA SER A 20 12.932 -6.196 -12.360 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.264 -8.484 -12.368 1.00 0.00 H new ATOM 0 HB3 SER A 20 12.783 -9.138 -13.039 1.00 0.00 H new ATOM 0 HG SER A 20 14.242 -8.399 -14.683 1.00 0.00 H new ATOM 311 N GLU A 21 10.774 -6.650 -13.696 1.00 0.00 N ATOM 312 CA GLU A 21 9.408 -6.638 -14.206 1.00 0.00 C ATOM 313 C GLU A 21 8.863 -8.057 -14.334 1.00 0.00 C ATOM 314 O GLU A 21 7.694 -8.313 -14.045 1.00 0.00 O ATOM 315 CB GLU A 21 9.353 -5.934 -15.563 1.00 0.00 C ATOM 316 CG GLU A 21 10.270 -6.550 -16.606 1.00 0.00 C ATOM 317 CD GLU A 21 10.216 -5.821 -17.935 1.00 0.00 C ATOM 318 OE1 GLU A 21 9.100 -5.494 -18.388 1.00 0.00 O ATOM 319 OE2 GLU A 21 11.292 -5.577 -18.521 1.00 0.00 O ATOM 0 H GLU A 21 11.448 -6.160 -14.284 1.00 0.00 H new ATOM 0 HA GLU A 21 8.787 -6.092 -13.496 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.328 -5.957 -15.933 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.620 -4.886 -15.430 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.294 -6.543 -16.233 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.993 -7.593 -16.757 1.00 0.00 H new ATOM 326 N ASP A 22 9.718 -8.976 -14.770 1.00 0.00 N ATOM 327 CA ASP A 22 9.323 -10.370 -14.937 1.00 0.00 C ATOM 328 C ASP A 22 8.798 -10.947 -13.626 1.00 0.00 C ATOM 329 O ASP A 22 7.924 -11.814 -13.623 1.00 0.00 O ATOM 330 CB ASP A 22 10.505 -11.201 -15.437 1.00 0.00 C ATOM 331 CG ASP A 22 10.878 -10.874 -16.869 1.00 0.00 C ATOM 332 OD1 ASP A 22 10.214 -11.396 -17.789 1.00 0.00 O ATOM 333 OD2 ASP A 22 11.834 -10.096 -17.072 1.00 0.00 O ATOM 0 H ASP A 22 10.689 -8.781 -15.014 1.00 0.00 H new ATOM 0 HA ASP A 22 8.523 -10.409 -15.676 1.00 0.00 H new ATOM 0 HB2 ASP A 22 11.366 -11.027 -14.792 1.00 0.00 H new ATOM 0 HB3 ASP A 22 10.258 -12.260 -15.362 1.00 0.00 H new ATOM 338 N ASP A 23 9.337 -10.460 -12.513 1.00 0.00 N ATOM 339 CA ASP A 23 8.924 -10.927 -11.195 1.00 0.00 C ATOM 340 C ASP A 23 7.857 -10.010 -10.604 1.00 0.00 C ATOM 341 O ASP A 23 7.329 -9.132 -11.287 1.00 0.00 O ATOM 342 CB ASP A 23 10.128 -11.000 -10.256 1.00 0.00 C ATOM 343 CG ASP A 23 11.271 -11.806 -10.841 1.00 0.00 C ATOM 344 OD1 ASP A 23 11.005 -12.883 -11.415 1.00 0.00 O ATOM 345 OD2 ASP A 23 12.432 -11.360 -10.726 1.00 0.00 O ATOM 0 H ASP A 23 10.061 -9.742 -12.498 1.00 0.00 H new ATOM 0 HA ASP A 23 8.499 -11.925 -11.306 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.475 -9.990 -10.036 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.821 -11.445 -9.310 1.00 0.00 H new ATOM 350 N THR A 24 7.543 -10.221 -9.329 1.00 0.00 N ATOM 351 CA THR A 24 6.539 -9.416 -8.647 1.00 0.00 C ATOM 352 C THR A 24 6.829 -9.324 -7.153 1.00 0.00 C ATOM 353 O THR A 24 7.691 -10.033 -6.634 1.00 0.00 O ATOM 354 CB THR A 24 5.124 -9.992 -8.849 1.00 0.00 C ATOM 355 OG1 THR A 24 5.190 -11.416 -8.981 1.00 0.00 O ATOM 356 CG2 THR A 24 4.467 -9.393 -10.083 1.00 0.00 C ATOM 0 H THR A 24 7.970 -10.943 -8.749 1.00 0.00 H new ATOM 0 HA THR A 24 6.583 -8.419 -9.085 1.00 0.00 H new ATOM 0 HB THR A 24 4.523 -9.736 -7.977 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.647 -11.699 -9.746 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.469 -9.815 -10.205 1.00 0.00 H new ATOM 0 HG22 THR A 24 4.392 -8.312 -9.967 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.068 -9.623 -10.963 1.00 0.00 H new ATOM 364 N VAL A 25 6.104 -8.448 -6.466 1.00 0.00 N ATOM 365 CA VAL A 25 6.282 -8.265 -5.031 1.00 0.00 C ATOM 366 C VAL A 25 5.956 -9.545 -4.269 1.00 0.00 C ATOM 367 O VAL A 25 6.544 -9.826 -3.224 1.00 0.00 O ATOM 368 CB VAL A 25 5.398 -7.123 -4.496 1.00 0.00 C ATOM 369 CG1 VAL A 25 5.449 -7.075 -2.976 1.00 0.00 C ATOM 370 CG2 VAL A 25 5.828 -5.792 -5.094 1.00 0.00 C ATOM 0 H VAL A 25 5.387 -7.853 -6.881 1.00 0.00 H new ATOM 0 HA VAL A 25 7.329 -8.008 -4.873 1.00 0.00 H new ATOM 0 HB VAL A 25 4.367 -7.314 -4.795 1.00 0.00 H new ATOM 0 HG11 VAL A 25 4.818 -6.262 -2.616 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.089 -8.020 -2.570 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.476 -6.908 -2.651 1.00 0.00 H new ATOM 0 HG21 VAL A 25 5.193 -4.996 -4.705 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.866 -5.591 -4.827 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.734 -5.833 -6.179 1.00 0.00 H new ATOM 380 N LEU A 26 5.016 -10.319 -4.800 1.00 0.00 N ATOM 381 CA LEU A 26 4.611 -11.572 -4.171 1.00 0.00 C ATOM 382 C LEU A 26 5.821 -12.460 -3.897 1.00 0.00 C ATOM 383 O LEU A 26 5.904 -13.108 -2.854 1.00 0.00 O ATOM 384 CB LEU A 26 3.612 -12.312 -5.061 1.00 0.00 C ATOM 385 CG LEU A 26 4.091 -12.649 -6.473 1.00 0.00 C ATOM 386 CD1 LEU A 26 4.678 -14.051 -6.518 1.00 0.00 C ATOM 387 CD2 LEU A 26 2.949 -12.515 -7.470 1.00 0.00 C ATOM 0 H LEU A 26 4.520 -10.101 -5.664 1.00 0.00 H new ATOM 0 HA LEU A 26 4.135 -11.335 -3.220 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.331 -13.240 -4.563 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.709 -11.707 -5.140 1.00 0.00 H new ATOM 0 HG LEU A 26 4.873 -11.941 -6.749 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.013 -14.273 -7.531 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.524 -14.113 -5.834 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.918 -14.773 -6.221 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.308 -12.759 -8.470 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.145 -13.199 -7.197 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.574 -11.491 -7.459 1.00 0.00 H new ATOM 399 N ASP A 27 6.757 -12.482 -4.839 1.00 0.00 N ATOM 400 CA ASP A 27 7.965 -13.287 -4.699 1.00 0.00 C ATOM 401 C ASP A 27 8.696 -12.948 -3.404 1.00 0.00 C ATOM 402 O ASP A 27 8.678 -13.723 -2.447 1.00 0.00 O ATOM 403 CB ASP A 27 8.892 -13.068 -5.895 1.00 0.00 C ATOM 404 CG ASP A 27 10.134 -13.935 -5.832 1.00 0.00 C ATOM 405 OD1 ASP A 27 10.036 -15.076 -5.334 1.00 0.00 O ATOM 406 OD2 ASP A 27 11.204 -13.472 -6.279 1.00 0.00 O ATOM 0 H ASP A 27 6.703 -11.951 -5.708 1.00 0.00 H new ATOM 0 HA ASP A 27 7.671 -14.336 -4.666 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.349 -13.282 -6.816 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.186 -12.019 -5.935 1.00 0.00 H new ATOM 411 N LEU A 28 9.341 -11.787 -3.381 1.00 0.00 N ATOM 412 CA LEU A 28 10.080 -11.345 -2.204 1.00 0.00 C ATOM 413 C LEU A 28 9.222 -11.460 -0.947 1.00 0.00 C ATOM 414 O LEU A 28 9.732 -11.712 0.145 1.00 0.00 O ATOM 415 CB LEU A 28 10.549 -9.900 -2.384 1.00 0.00 C ATOM 416 CG LEU A 28 9.514 -8.816 -2.081 1.00 0.00 C ATOM 417 CD1 LEU A 28 9.594 -8.395 -0.622 1.00 0.00 C ATOM 418 CD2 LEU A 28 9.716 -7.616 -2.995 1.00 0.00 C ATOM 0 H LEU A 28 9.367 -11.134 -4.165 1.00 0.00 H new ATOM 0 HA LEU A 28 10.950 -11.991 -2.089 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.415 -9.737 -1.742 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.887 -9.774 -3.413 1.00 0.00 H new ATOM 0 HG LEU A 28 8.521 -9.226 -2.266 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.850 -7.623 -0.425 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.400 -9.257 0.017 1.00 0.00 H new ATOM 0 HD13 LEU A 28 10.589 -8.003 -0.410 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.971 -6.854 -2.766 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.714 -7.205 -2.841 1.00 0.00 H new ATOM 0 HD23 LEU A 28 9.608 -7.928 -4.034 1.00 0.00 H new ATOM 430 N LYS A 29 7.917 -11.275 -1.110 1.00 0.00 N ATOM 431 CA LYS A 29 6.986 -11.362 0.010 1.00 0.00 C ATOM 432 C LYS A 29 7.164 -12.675 0.765 1.00 0.00 C ATOM 433 O LYS A 29 7.291 -12.684 1.989 1.00 0.00 O ATOM 434 CB LYS A 29 5.544 -11.239 -0.488 1.00 0.00 C ATOM 435 CG LYS A 29 4.565 -10.799 0.586 1.00 0.00 C ATOM 436 CD LYS A 29 3.126 -10.924 0.114 1.00 0.00 C ATOM 437 CE LYS A 29 2.725 -9.749 -0.765 1.00 0.00 C ATOM 438 NZ LYS A 29 2.644 -8.479 0.008 1.00 0.00 N ATOM 0 H LYS A 29 7.479 -11.064 -2.007 1.00 0.00 H new ATOM 0 HA LYS A 29 7.200 -10.539 0.692 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.512 -10.525 -1.311 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.223 -12.201 -0.888 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.709 -11.404 1.481 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.769 -9.765 0.864 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.003 -11.854 -0.441 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.462 -10.978 0.977 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.448 -9.637 -1.573 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.760 -9.955 -1.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.862 -7.899 -0.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.476 -8.694 1.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.538 -7.956 -0.089 1.00 0.00 H new ATOM 452 N GLN A 30 7.174 -13.780 0.027 1.00 0.00 N ATOM 453 CA GLN A 30 7.337 -15.098 0.629 1.00 0.00 C ATOM 454 C GLN A 30 8.761 -15.291 1.139 1.00 0.00 C ATOM 455 O GLN A 30 8.991 -16.013 2.110 1.00 0.00 O ATOM 456 CB GLN A 30 6.994 -16.191 -0.386 1.00 0.00 C ATOM 457 CG GLN A 30 8.193 -16.678 -1.184 1.00 0.00 C ATOM 458 CD GLN A 30 7.818 -17.708 -2.231 1.00 0.00 C ATOM 459 OE1 GLN A 30 6.929 -17.480 -3.052 1.00 0.00 O ATOM 460 NE2 GLN A 30 8.494 -18.851 -2.206 1.00 0.00 N ATOM 0 H GLN A 30 7.071 -13.789 -0.988 1.00 0.00 H new ATOM 0 HA GLN A 30 6.654 -15.170 1.476 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.550 -17.037 0.139 1.00 0.00 H new ATOM 0 HB3 GLN A 30 6.239 -15.812 -1.075 1.00 0.00 H new ATOM 0 HG2 GLN A 30 8.670 -15.828 -1.671 1.00 0.00 H new ATOM 0 HG3 GLN A 30 8.927 -17.108 -0.503 1.00 0.00 H new ATOM 0 HE21 GLN A 30 9.223 -18.997 -1.508 1.00 0.00 H new ATOM 0 HE22 GLN A 30 8.284 -19.583 -2.885 1.00 0.00 H new ATOM 469 N PHE A 31 9.714 -14.641 0.480 1.00 0.00 N ATOM 470 CA PHE A 31 11.116 -14.742 0.866 1.00 0.00 C ATOM 471 C PHE A 31 11.360 -14.065 2.212 1.00 0.00 C ATOM 472 O PHE A 31 12.116 -14.567 3.045 1.00 0.00 O ATOM 473 CB PHE A 31 12.009 -14.109 -0.204 1.00 0.00 C ATOM 474 CG PHE A 31 12.595 -15.107 -1.162 1.00 0.00 C ATOM 475 CD1 PHE A 31 11.812 -15.679 -2.152 1.00 0.00 C ATOM 476 CD2 PHE A 31 13.929 -15.471 -1.073 1.00 0.00 C ATOM 477 CE1 PHE A 31 12.349 -16.597 -3.034 1.00 0.00 C ATOM 478 CE2 PHE A 31 14.471 -16.389 -1.953 1.00 0.00 C ATOM 479 CZ PHE A 31 13.680 -16.952 -2.935 1.00 0.00 C ATOM 0 H PHE A 31 9.541 -14.038 -0.324 1.00 0.00 H new ATOM 0 HA PHE A 31 11.365 -15.799 0.960 1.00 0.00 H new ATOM 0 HB2 PHE A 31 11.428 -13.377 -0.765 1.00 0.00 H new ATOM 0 HB3 PHE A 31 12.819 -13.567 0.284 1.00 0.00 H new ATOM 0 HD1 PHE A 31 10.771 -15.404 -2.235 1.00 0.00 H new ATOM 0 HD2 PHE A 31 14.552 -15.033 -0.308 1.00 0.00 H new ATOM 0 HE1 PHE A 31 11.728 -17.037 -3.801 1.00 0.00 H new ATOM 0 HE2 PHE A 31 15.512 -16.666 -1.873 1.00 0.00 H new ATOM 0 HZ PHE A 31 14.101 -17.669 -3.624 1.00 0.00 H new ATOM 489 N LEU A 32 10.713 -12.923 2.419 1.00 0.00 N ATOM 490 CA LEU A 32 10.859 -12.176 3.663 1.00 0.00 C ATOM 491 C LEU A 32 10.215 -12.925 4.826 1.00 0.00 C ATOM 492 O LEU A 32 10.757 -12.961 5.931 1.00 0.00 O ATOM 493 CB LEU A 32 10.230 -10.788 3.524 1.00 0.00 C ATOM 494 CG LEU A 32 10.905 -9.841 2.532 1.00 0.00 C ATOM 495 CD1 LEU A 32 10.283 -8.456 2.608 1.00 0.00 C ATOM 496 CD2 LEU A 32 12.402 -9.771 2.796 1.00 0.00 C ATOM 0 H LEU A 32 10.082 -12.495 1.741 1.00 0.00 H new ATOM 0 HA LEU A 32 11.924 -12.066 3.870 1.00 0.00 H new ATOM 0 HB2 LEU A 32 9.189 -10.911 3.227 1.00 0.00 H new ATOM 0 HB3 LEU A 32 10.227 -10.313 4.505 1.00 0.00 H new ATOM 0 HG LEU A 32 10.752 -10.230 1.526 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.777 -7.796 1.895 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.222 -8.520 2.369 1.00 0.00 H new ATOM 0 HD13 LEU A 32 10.404 -8.057 3.615 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.866 -9.092 2.081 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.576 -9.406 3.808 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.837 -10.765 2.689 1.00 0.00 H new ATOM 508 N LYS A 33 9.057 -13.522 4.569 1.00 0.00 N ATOM 509 CA LYS A 33 8.340 -14.274 5.593 1.00 0.00 C ATOM 510 C LYS A 33 9.150 -15.483 6.048 1.00 0.00 C ATOM 511 O LYS A 33 9.114 -15.863 7.219 1.00 0.00 O ATOM 512 CB LYS A 33 6.979 -14.730 5.060 1.00 0.00 C ATOM 513 CG LYS A 33 6.091 -13.586 4.603 1.00 0.00 C ATOM 514 CD LYS A 33 5.127 -14.029 3.515 1.00 0.00 C ATOM 515 CE LYS A 33 3.733 -14.274 4.071 1.00 0.00 C ATOM 516 NZ LYS A 33 2.962 -13.007 4.212 1.00 0.00 N ATOM 0 H LYS A 33 8.594 -13.500 3.660 1.00 0.00 H new ATOM 0 HA LYS A 33 8.187 -13.618 6.450 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.135 -15.413 4.225 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.463 -15.291 5.839 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.529 -13.199 5.453 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.710 -12.770 4.231 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.081 -13.267 2.737 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.499 -14.941 3.047 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.194 -14.956 3.413 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.810 -14.762 5.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.017 -13.216 4.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.463 -12.366 4.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.866 -12.553 3.281 1.00 0.00 H new ATOM 530 N THR A 34 9.883 -16.084 5.116 1.00 0.00 N ATOM 531 CA THR A 34 10.703 -17.249 5.421 1.00 0.00 C ATOM 532 C THR A 34 12.094 -16.836 5.888 1.00 0.00 C ATOM 533 O THR A 34 12.757 -17.568 6.624 1.00 0.00 O ATOM 534 CB THR A 34 10.838 -18.177 4.199 1.00 0.00 C ATOM 535 OG1 THR A 34 11.498 -17.488 3.132 1.00 0.00 O ATOM 536 CG2 THR A 34 9.473 -18.659 3.732 1.00 0.00 C ATOM 0 H THR A 34 9.925 -15.782 4.143 1.00 0.00 H new ATOM 0 HA THR A 34 10.199 -17.788 6.223 1.00 0.00 H new ATOM 0 HB THR A 34 11.430 -19.044 4.492 1.00 0.00 H new ATOM 0 HG1 THR A 34 11.504 -16.526 3.318 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.594 -19.313 2.868 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.986 -19.209 4.538 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.860 -17.802 3.455 1.00 0.00 H new ATOM 544 N LEU A 35 12.532 -15.658 5.456 1.00 0.00 N ATOM 545 CA LEU A 35 13.846 -15.146 5.830 1.00 0.00 C ATOM 546 C LEU A 35 13.825 -14.576 7.245 1.00 0.00 C ATOM 547 O LEU A 35 14.688 -14.890 8.065 1.00 0.00 O ATOM 548 CB LEU A 35 14.296 -14.070 4.841 1.00 0.00 C ATOM 549 CG LEU A 35 15.618 -13.372 5.164 1.00 0.00 C ATOM 550 CD1 LEU A 35 16.746 -13.949 4.323 1.00 0.00 C ATOM 551 CD2 LEU A 35 15.497 -11.872 4.941 1.00 0.00 C ATOM 0 H LEU A 35 11.996 -15.040 4.847 1.00 0.00 H new ATOM 0 HA LEU A 35 14.554 -15.975 5.802 1.00 0.00 H new ATOM 0 HB2 LEU A 35 14.380 -14.524 3.854 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.514 -13.313 4.778 1.00 0.00 H new ATOM 0 HG LEU A 35 15.851 -13.545 6.215 1.00 0.00 H new ATOM 0 HD11 LEU A 35 17.679 -13.440 4.567 1.00 0.00 H new ATOM 0 HD12 LEU A 35 16.848 -15.014 4.533 1.00 0.00 H new ATOM 0 HD13 LEU A 35 16.521 -13.807 3.266 1.00 0.00 H new ATOM 0 HD21 LEU A 35 16.447 -11.391 5.176 1.00 0.00 H new ATOM 0 HD22 LEU A 35 15.240 -11.679 3.900 1.00 0.00 H new ATOM 0 HD23 LEU A 35 14.717 -11.470 5.588 1.00 0.00 H new ATOM 563 N THR A 36 12.832 -13.738 7.525 1.00 0.00 N ATOM 564 CA THR A 36 12.698 -13.125 8.841 1.00 0.00 C ATOM 565 C THR A 36 11.360 -13.480 9.479 1.00 0.00 C ATOM 566 O THR A 36 11.281 -13.727 10.681 1.00 0.00 O ATOM 567 CB THR A 36 12.825 -11.592 8.762 1.00 0.00 C ATOM 568 OG1 THR A 36 12.206 -10.989 9.904 1.00 0.00 O ATOM 569 CG2 THR A 36 12.182 -11.060 7.490 1.00 0.00 C ATOM 0 H THR A 36 12.109 -13.468 6.858 1.00 0.00 H new ATOM 0 HA THR A 36 13.507 -13.518 9.457 1.00 0.00 H new ATOM 0 HB THR A 36 13.885 -11.338 8.748 1.00 0.00 H new ATOM 0 HG1 THR A 36 12.293 -10.015 9.847 1.00 0.00 H new ATOM 0 HG21 THR A 36 12.284 -9.975 7.457 1.00 0.00 H new ATOM 0 HG22 THR A 36 12.675 -11.498 6.622 1.00 0.00 H new ATOM 0 HG23 THR A 36 11.125 -11.325 7.478 1.00 0.00 H new ATOM 577 N GLY A 37 10.309 -13.505 8.665 1.00 0.00 N ATOM 578 CA GLY A 37 8.988 -13.831 9.169 1.00 0.00 C ATOM 579 C GLY A 37 8.578 -12.953 10.334 1.00 0.00 C ATOM 580 O GLY A 37 7.793 -13.366 11.187 1.00 0.00 O ATOM 0 H GLY A 37 10.349 -13.305 7.666 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.260 -13.725 8.365 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.969 -14.875 9.481 1.00 0.00 H new ATOM 584 N VAL A 38 9.112 -11.735 10.371 1.00 0.00 N ATOM 585 CA VAL A 38 8.797 -10.796 11.441 1.00 0.00 C ATOM 586 C VAL A 38 7.831 -9.719 10.960 1.00 0.00 C ATOM 587 O VAL A 38 7.188 -9.042 11.764 1.00 0.00 O ATOM 588 CB VAL A 38 10.069 -10.121 11.987 1.00 0.00 C ATOM 589 CG1 VAL A 38 9.714 -9.090 13.047 1.00 0.00 C ATOM 590 CG2 VAL A 38 11.027 -11.163 12.545 1.00 0.00 C ATOM 0 H VAL A 38 9.764 -11.377 9.673 1.00 0.00 H new ATOM 0 HA VAL A 38 8.328 -11.371 12.239 1.00 0.00 H new ATOM 0 HB VAL A 38 10.567 -9.605 11.166 1.00 0.00 H new ATOM 0 HG11 VAL A 38 10.626 -8.624 13.421 1.00 0.00 H new ATOM 0 HG12 VAL A 38 9.069 -8.327 12.611 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.193 -9.579 13.870 1.00 0.00 H new ATOM 0 HG21 VAL A 38 11.920 -10.669 12.927 1.00 0.00 H new ATOM 0 HG22 VAL A 38 10.541 -11.708 13.354 1.00 0.00 H new ATOM 0 HG23 VAL A 38 11.307 -11.860 11.755 1.00 0.00 H new ATOM 600 N LEU A 39 7.732 -9.566 9.644 1.00 0.00 N ATOM 601 CA LEU A 39 6.842 -8.571 9.054 1.00 0.00 C ATOM 602 C LEU A 39 5.387 -8.867 9.403 1.00 0.00 C ATOM 603 O LEU A 39 4.652 -8.006 9.886 1.00 0.00 O ATOM 604 CB LEU A 39 7.018 -8.538 7.535 1.00 0.00 C ATOM 605 CG LEU A 39 8.428 -8.821 7.016 1.00 0.00 C ATOM 606 CD1 LEU A 39 8.501 -8.588 5.515 1.00 0.00 C ATOM 607 CD2 LEU A 39 9.447 -7.955 7.742 1.00 0.00 C ATOM 0 H LEU A 39 8.257 -10.118 8.965 1.00 0.00 H new ATOM 0 HA LEU A 39 7.103 -7.596 9.465 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.337 -9.267 7.095 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.710 -7.556 7.175 1.00 0.00 H new ATOM 0 HG LEU A 39 8.664 -9.867 7.212 1.00 0.00 H new ATOM 0 HD11 LEU A 39 9.512 -8.794 5.164 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.799 -9.251 5.009 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.245 -7.552 5.295 1.00 0.00 H new ATOM 0 HD21 LEU A 39 10.445 -8.170 7.360 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.214 -6.903 7.577 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.413 -8.171 8.810 1.00 0.00 H new ATOM 619 N PRO A 40 4.961 -10.114 9.156 1.00 0.00 N ATOM 620 CA PRO A 40 3.591 -10.553 9.439 1.00 0.00 C ATOM 621 C PRO A 40 3.310 -10.649 10.935 1.00 0.00 C ATOM 622 O PRO A 40 2.171 -10.860 11.349 1.00 0.00 O ATOM 623 CB PRO A 40 3.522 -11.939 8.793 1.00 0.00 C ATOM 624 CG PRO A 40 4.933 -12.418 8.772 1.00 0.00 C ATOM 625 CD PRO A 40 5.783 -11.193 8.582 1.00 0.00 C ATOM 0 HA PRO A 40 2.851 -9.851 9.055 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.884 -12.612 9.366 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.107 -11.886 7.787 1.00 0.00 H new ATOM 0 HG2 PRO A 40 5.186 -12.928 9.701 1.00 0.00 H new ATOM 0 HG3 PRO A 40 5.091 -13.132 7.964 1.00 0.00 H new ATOM 0 HD2 PRO A 40 6.740 -11.285 9.095 1.00 0.00 H new ATOM 0 HD3 PRO A 40 6.001 -11.015 7.529 1.00 0.00 H new ATOM 633 N GLU A 41 4.356 -10.491 11.740 1.00 0.00 N ATOM 634 CA GLU A 41 4.220 -10.560 13.190 1.00 0.00 C ATOM 635 C GLU A 41 4.241 -9.164 13.806 1.00 0.00 C ATOM 636 O GLU A 41 3.227 -8.681 14.310 1.00 0.00 O ATOM 637 CB GLU A 41 5.342 -11.411 13.790 1.00 0.00 C ATOM 638 CG GLU A 41 5.507 -12.763 13.118 1.00 0.00 C ATOM 639 CD GLU A 41 4.283 -13.645 13.272 1.00 0.00 C ATOM 640 OE1 GLU A 41 3.998 -14.069 14.412 1.00 0.00 O ATOM 641 OE2 GLU A 41 3.610 -13.910 12.255 1.00 0.00 O ATOM 0 H GLU A 41 5.306 -10.315 11.413 1.00 0.00 H new ATOM 0 HA GLU A 41 3.260 -11.024 13.417 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.281 -10.862 13.718 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.143 -11.564 14.851 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.712 -12.615 12.058 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.373 -13.272 13.542 1.00 0.00 H new ATOM 648 N ARG A 42 5.404 -8.521 13.761 1.00 0.00 N ATOM 649 CA ARG A 42 5.558 -7.182 14.316 1.00 0.00 C ATOM 650 C ARG A 42 6.663 -6.418 13.592 1.00 0.00 C ATOM 651 O ARG A 42 7.731 -6.965 13.319 1.00 0.00 O ATOM 652 CB ARG A 42 5.871 -7.259 15.811 1.00 0.00 C ATOM 653 CG ARG A 42 6.932 -8.290 16.159 1.00 0.00 C ATOM 654 CD ARG A 42 7.415 -8.130 17.592 1.00 0.00 C ATOM 655 NE ARG A 42 6.305 -7.995 18.532 1.00 0.00 N ATOM 656 CZ ARG A 42 6.461 -7.688 19.815 1.00 0.00 C ATOM 657 NH1 ARG A 42 7.675 -7.485 20.308 1.00 0.00 N ATOM 658 NH2 ARG A 42 5.402 -7.582 20.607 1.00 0.00 N ATOM 0 H ARG A 42 6.253 -8.906 13.346 1.00 0.00 H new ATOM 0 HA ARG A 42 4.618 -6.647 14.176 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.202 -6.279 16.155 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.956 -7.495 16.354 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.526 -9.292 16.020 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.776 -8.190 15.476 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.021 -8.993 17.869 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.058 -7.253 17.662 1.00 0.00 H new ATOM 0 HE ARG A 42 5.358 -8.145 18.184 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.491 -7.564 19.702 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.792 -7.249 21.293 1.00 0.00 H new ATOM 0 HH21 ARG A 42 4.466 -7.736 20.231 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.523 -7.346 21.592 1.00 0.00 H new ATOM 672 N GLN A 43 6.398 -5.152 13.286 1.00 0.00 N ATOM 673 CA GLN A 43 7.370 -4.314 12.594 1.00 0.00 C ATOM 674 C GLN A 43 6.985 -2.842 12.689 1.00 0.00 C ATOM 675 O GLN A 43 5.921 -2.499 13.204 1.00 0.00 O ATOM 676 CB GLN A 43 7.480 -4.731 11.126 1.00 0.00 C ATOM 677 CG GLN A 43 6.350 -4.204 10.257 1.00 0.00 C ATOM 678 CD GLN A 43 4.982 -4.613 10.768 1.00 0.00 C ATOM 679 OE1 GLN A 43 4.772 -5.759 11.165 1.00 0.00 O ATOM 680 NE2 GLN A 43 4.043 -3.674 10.761 1.00 0.00 N ATOM 0 H GLN A 43 5.519 -4.684 13.506 1.00 0.00 H new ATOM 0 HA GLN A 43 8.338 -4.449 13.077 1.00 0.00 H new ATOM 0 HB2 GLN A 43 8.430 -4.376 10.726 1.00 0.00 H new ATOM 0 HB3 GLN A 43 7.496 -5.819 11.066 1.00 0.00 H new ATOM 0 HG2 GLN A 43 6.407 -3.116 10.213 1.00 0.00 H new ATOM 0 HG3 GLN A 43 6.478 -4.571 9.239 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.261 -2.737 10.423 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.103 -3.890 11.094 1.00 0.00 H new ATOM 689 N LYS A 44 7.858 -1.974 12.189 1.00 0.00 N ATOM 690 CA LYS A 44 7.610 -0.537 12.216 1.00 0.00 C ATOM 691 C LYS A 44 8.502 0.188 11.212 1.00 0.00 C ATOM 692 O LYS A 44 9.631 0.564 11.529 1.00 0.00 O ATOM 693 CB LYS A 44 7.852 0.016 13.622 1.00 0.00 C ATOM 694 CG LYS A 44 6.595 0.091 14.470 1.00 0.00 C ATOM 695 CD LYS A 44 6.791 0.991 15.679 1.00 0.00 C ATOM 696 CE LYS A 44 7.251 0.199 16.894 1.00 0.00 C ATOM 697 NZ LYS A 44 6.975 0.924 18.165 1.00 0.00 N ATOM 0 H LYS A 44 8.744 -2.241 11.760 1.00 0.00 H new ATOM 0 HA LYS A 44 6.569 -0.367 11.939 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.585 -0.611 14.129 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.286 1.013 13.542 1.00 0.00 H new ATOM 0 HG2 LYS A 44 5.769 0.467 13.866 1.00 0.00 H new ATOM 0 HG3 LYS A 44 6.318 -0.910 14.801 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.526 1.761 15.445 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.856 1.502 15.909 1.00 0.00 H new ATOM 0 HE2 LYS A 44 6.747 -0.767 16.910 1.00 0.00 H new ATOM 0 HE3 LYS A 44 8.320 -0.001 16.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.303 0.352 18.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.477 1.835 18.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.953 1.092 18.254 1.00 0.00 H new ATOM 711 N LEU A 45 7.988 0.381 10.003 1.00 0.00 N ATOM 712 CA LEU A 45 8.737 1.063 8.953 1.00 0.00 C ATOM 713 C LEU A 45 8.407 2.552 8.928 1.00 0.00 C ATOM 714 O LEU A 45 7.519 3.014 9.644 1.00 0.00 O ATOM 715 CB LEU A 45 8.429 0.437 7.591 1.00 0.00 C ATOM 716 CG LEU A 45 8.582 -1.082 7.500 1.00 0.00 C ATOM 717 CD1 LEU A 45 7.325 -1.775 8.002 1.00 0.00 C ATOM 718 CD2 LEU A 45 8.890 -1.502 6.071 1.00 0.00 C ATOM 0 H LEU A 45 7.056 0.075 9.725 1.00 0.00 H new ATOM 0 HA LEU A 45 9.800 0.949 9.166 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.406 0.696 7.318 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.083 0.893 6.848 1.00 0.00 H new ATOM 0 HG LEU A 45 9.416 -1.383 8.134 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.452 -2.855 7.930 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.148 -1.499 9.041 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.473 -1.468 7.395 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.996 -2.586 6.025 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.077 -1.189 5.416 1.00 0.00 H new ATOM 0 HD23 LEU A 45 9.819 -1.033 5.746 1.00 0.00 H new ATOM 730 N LEU A 46 9.127 3.297 8.097 1.00 0.00 N ATOM 731 CA LEU A 46 8.909 4.735 7.976 1.00 0.00 C ATOM 732 C LEU A 46 7.694 5.030 7.103 1.00 0.00 C ATOM 733 O LEU A 46 7.231 6.168 7.029 1.00 0.00 O ATOM 734 CB LEU A 46 10.150 5.410 7.388 1.00 0.00 C ATOM 735 CG LEU A 46 10.797 4.705 6.195 1.00 0.00 C ATOM 736 CD1 LEU A 46 9.799 4.559 5.057 1.00 0.00 C ATOM 737 CD2 LEU A 46 12.031 5.465 5.732 1.00 0.00 C ATOM 0 H LEU A 46 9.866 2.930 7.497 1.00 0.00 H new ATOM 0 HA LEU A 46 8.722 5.135 8.973 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.879 6.421 7.084 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.896 5.504 8.177 1.00 0.00 H new ATOM 0 HG LEU A 46 11.106 3.708 6.509 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.277 4.055 4.217 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.945 3.971 5.395 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.459 5.546 4.743 1.00 0.00 H new ATOM 0 HD21 LEU A 46 12.479 4.949 4.882 1.00 0.00 H new ATOM 0 HD22 LEU A 46 11.746 6.474 5.435 1.00 0.00 H new ATOM 0 HD23 LEU A 46 12.753 5.517 6.547 1.00 0.00 H new ATOM 749 N GLY A 47 7.179 3.996 6.444 1.00 0.00 N ATOM 750 CA GLY A 47 6.021 4.165 5.586 1.00 0.00 C ATOM 751 C GLY A 47 5.673 2.901 4.826 1.00 0.00 C ATOM 752 O GLY A 47 4.498 2.561 4.676 1.00 0.00 O ATOM 0 H GLY A 47 7.543 3.044 6.489 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.166 4.469 6.190 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.212 4.970 4.877 1.00 0.00 H new ATOM 756 N LEU A 48 6.695 2.203 4.343 1.00 0.00 N ATOM 757 CA LEU A 48 6.491 0.969 3.592 1.00 0.00 C ATOM 758 C LEU A 48 5.863 -0.107 4.472 1.00 0.00 C ATOM 759 O LEU A 48 6.107 -0.159 5.678 1.00 0.00 O ATOM 760 CB LEU A 48 7.821 0.468 3.026 1.00 0.00 C ATOM 761 CG LEU A 48 7.876 -1.013 2.650 1.00 0.00 C ATOM 762 CD1 LEU A 48 6.945 -1.303 1.483 1.00 0.00 C ATOM 763 CD2 LEU A 48 9.301 -1.426 2.314 1.00 0.00 C ATOM 0 H LEU A 48 7.673 2.470 4.458 1.00 0.00 H new ATOM 0 HA LEU A 48 5.809 1.182 2.769 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.060 1.056 2.140 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.602 0.665 3.760 1.00 0.00 H new ATOM 0 HG LEU A 48 7.543 -1.598 3.507 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.998 -2.362 1.230 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.923 -1.047 1.761 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.246 -0.708 0.621 1.00 0.00 H new ATOM 0 HD21 LEU A 48 9.321 -2.483 2.049 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.663 -0.834 1.473 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.942 -1.257 3.179 1.00 0.00 H new ATOM 775 N LYS A 49 5.054 -0.966 3.861 1.00 0.00 N ATOM 776 CA LYS A 49 4.393 -2.044 4.587 1.00 0.00 C ATOM 777 C LYS A 49 3.503 -1.488 5.694 1.00 0.00 C ATOM 778 O LYS A 49 3.798 -1.644 6.879 1.00 0.00 O ATOM 779 CB LYS A 49 5.431 -2.997 5.183 1.00 0.00 C ATOM 780 CG LYS A 49 5.862 -4.100 4.231 1.00 0.00 C ATOM 781 CD LYS A 49 4.826 -5.209 4.158 1.00 0.00 C ATOM 782 CE LYS A 49 5.268 -6.324 3.223 1.00 0.00 C ATOM 783 NZ LYS A 49 4.125 -7.178 2.797 1.00 0.00 N ATOM 0 H LYS A 49 4.840 -0.936 2.864 1.00 0.00 H new ATOM 0 HA LYS A 49 3.768 -2.593 3.883 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.308 -2.424 5.483 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.021 -3.448 6.087 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.020 -3.683 3.237 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.816 -4.513 4.559 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.655 -5.615 5.155 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.876 -4.799 3.814 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.746 -5.892 2.344 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.016 -6.941 3.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.468 -7.926 2.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.684 -7.611 3.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.423 -6.595 2.298 1.00 0.00 H new ATOM 797 N VAL A 50 2.411 -0.841 5.300 1.00 0.00 N ATOM 798 CA VAL A 50 1.476 -0.265 6.259 1.00 0.00 C ATOM 799 C VAL A 50 0.532 -1.326 6.812 1.00 0.00 C ATOM 800 O VAL A 50 0.117 -2.238 6.096 1.00 0.00 O ATOM 801 CB VAL A 50 0.644 0.865 5.623 1.00 0.00 C ATOM 802 CG1 VAL A 50 -0.062 0.369 4.371 1.00 0.00 C ATOM 803 CG2 VAL A 50 -0.357 1.419 6.626 1.00 0.00 C ATOM 0 H VAL A 50 2.152 -0.703 4.323 1.00 0.00 H new ATOM 0 HA VAL A 50 2.072 0.147 7.073 1.00 0.00 H new ATOM 0 HB VAL A 50 1.319 1.671 5.335 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.645 1.181 3.936 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.678 0.025 3.648 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.726 -0.456 4.630 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.936 2.216 6.160 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.029 0.623 6.947 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.176 1.815 7.491 1.00 0.00 H new ATOM 813 N LYS A 51 0.193 -1.201 8.091 1.00 0.00 N ATOM 814 CA LYS A 51 -0.704 -2.148 8.742 1.00 0.00 C ATOM 815 C LYS A 51 -2.152 -1.895 8.333 1.00 0.00 C ATOM 816 O LYS A 51 -2.590 -0.749 8.243 1.00 0.00 O ATOM 817 CB LYS A 51 -0.567 -2.049 10.263 1.00 0.00 C ATOM 818 CG LYS A 51 -1.008 -3.305 10.996 1.00 0.00 C ATOM 819 CD LYS A 51 -0.311 -3.439 12.339 1.00 0.00 C ATOM 820 CE LYS A 51 -1.172 -4.192 13.341 1.00 0.00 C ATOM 821 NZ LYS A 51 -1.087 -5.667 13.148 1.00 0.00 N ATOM 0 H LYS A 51 0.527 -0.452 8.698 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.425 -3.152 8.423 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.473 -1.839 10.513 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.157 -1.205 10.619 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.087 -3.280 11.146 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.791 -4.180 10.383 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.637 -3.961 12.208 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -0.078 -2.448 12.730 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.856 -3.939 14.353 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.209 -3.872 13.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.688 -6.144 13.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.412 -5.911 12.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.101 -5.977 13.268 1.00 0.00 H new ATOM 835 N GLY A 52 -2.890 -2.973 8.088 1.00 0.00 N ATOM 836 CA GLY A 52 -4.281 -2.845 7.694 1.00 0.00 C ATOM 837 C GLY A 52 -4.445 -2.660 6.198 1.00 0.00 C ATOM 838 O GLY A 52 -5.562 -2.689 5.680 1.00 0.00 O ATOM 0 H GLY A 52 -2.550 -3.932 8.155 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.828 -3.734 8.009 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.726 -1.996 8.213 1.00 0.00 H new ATOM 842 N LYS A 53 -3.330 -2.468 5.502 1.00 0.00 N ATOM 843 CA LYS A 53 -3.354 -2.276 4.057 1.00 0.00 C ATOM 844 C LYS A 53 -2.024 -2.687 3.432 1.00 0.00 C ATOM 845 O LYS A 53 -1.250 -1.855 2.958 1.00 0.00 O ATOM 846 CB LYS A 53 -3.658 -0.815 3.720 1.00 0.00 C ATOM 847 CG LYS A 53 -5.112 -0.431 3.935 1.00 0.00 C ATOM 848 CD LYS A 53 -5.515 0.741 3.056 1.00 0.00 C ATOM 849 CE LYS A 53 -4.985 2.057 3.604 1.00 0.00 C ATOM 850 NZ LYS A 53 -5.380 3.212 2.751 1.00 0.00 N ATOM 0 H LYS A 53 -2.398 -2.441 5.915 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.141 -2.908 3.645 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.027 -0.171 4.332 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.391 -0.628 2.680 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.751 -1.287 3.718 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -5.270 -0.173 4.982 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.135 0.587 2.046 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.602 0.787 2.984 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.362 2.207 4.616 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.898 2.011 3.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.000 4.090 3.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.999 3.082 1.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.417 3.272 2.706 1.00 0.00 H new ATOM 864 N PRO A 54 -1.752 -4.000 3.428 1.00 0.00 N ATOM 865 CA PRO A 54 -0.516 -4.550 2.862 1.00 0.00 C ATOM 866 C PRO A 54 -0.474 -4.437 1.342 1.00 0.00 C ATOM 867 O PRO A 54 -1.492 -4.599 0.669 1.00 0.00 O ATOM 868 CB PRO A 54 -0.555 -6.020 3.288 1.00 0.00 C ATOM 869 CG PRO A 54 -2.002 -6.322 3.476 1.00 0.00 C ATOM 870 CD PRO A 54 -2.629 -5.049 3.974 1.00 0.00 C ATOM 0 HA PRO A 54 0.366 -4.014 3.211 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -0.112 -6.664 2.529 1.00 0.00 H new ATOM 0 HB3 PRO A 54 0.006 -6.180 4.209 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -2.459 -6.642 2.539 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -2.142 -7.132 4.192 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.654 -4.941 3.619 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.663 -5.017 5.063 1.00 0.00 H new ATOM 878 N ALA A 55 0.710 -4.159 0.806 1.00 0.00 N ATOM 879 CA ALA A 55 0.884 -4.027 -0.635 1.00 0.00 C ATOM 880 C ALA A 55 0.289 -5.222 -1.372 1.00 0.00 C ATOM 881 O ALA A 55 0.235 -6.328 -0.836 1.00 0.00 O ATOM 882 CB ALA A 55 2.359 -3.876 -0.976 1.00 0.00 C ATOM 0 H ALA A 55 1.563 -4.021 1.348 1.00 0.00 H new ATOM 0 HA ALA A 55 0.353 -3.132 -0.960 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.475 -3.778 -2.055 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.756 -2.987 -0.487 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.904 -4.754 -0.631 1.00 0.00 H new ATOM 888 N GLU A 56 -0.157 -4.990 -2.603 1.00 0.00 N ATOM 889 CA GLU A 56 -0.750 -6.049 -3.412 1.00 0.00 C ATOM 890 C GLU A 56 0.314 -6.758 -4.245 1.00 0.00 C ATOM 891 O GLU A 56 1.315 -6.157 -4.633 1.00 0.00 O ATOM 892 CB GLU A 56 -1.832 -5.475 -4.328 1.00 0.00 C ATOM 893 CG GLU A 56 -2.772 -6.527 -4.894 1.00 0.00 C ATOM 894 CD GLU A 56 -4.115 -5.952 -5.298 1.00 0.00 C ATOM 895 OE1 GLU A 56 -4.146 -5.103 -6.214 1.00 0.00 O ATOM 896 OE2 GLU A 56 -5.136 -6.350 -4.699 1.00 0.00 O ATOM 0 H GLU A 56 -0.119 -4.080 -3.061 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.203 -6.776 -2.738 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.415 -4.741 -3.772 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.355 -4.945 -5.152 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.306 -6.996 -5.761 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.925 -7.310 -4.151 1.00 0.00 H new ATOM 903 N ASN A 57 0.089 -8.040 -4.513 1.00 0.00 N ATOM 904 CA ASN A 57 1.029 -8.832 -5.299 1.00 0.00 C ATOM 905 C ASN A 57 1.188 -8.253 -6.702 1.00 0.00 C ATOM 906 O ASN A 57 2.251 -8.365 -7.313 1.00 0.00 O ATOM 907 CB ASN A 57 0.556 -10.284 -5.385 1.00 0.00 C ATOM 908 CG ASN A 57 -0.880 -10.398 -5.860 1.00 0.00 C ATOM 909 OD1 ASN A 57 -1.815 -10.414 -4.918 1.00 0.00 O flip ATOM 910 ND2 ASN A 57 -1.144 -10.470 -7.061 1.00 0.00 N flip ATOM 0 H ASN A 57 -0.735 -8.552 -4.198 1.00 0.00 H new ATOM 0 HA ASN A 57 1.998 -8.801 -4.801 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.205 -10.835 -6.065 1.00 0.00 H new ATOM 0 HB3 ASN A 57 0.650 -10.752 -4.405 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.392 -10.454 -7.750 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.114 -10.546 -7.366 1.00 0.00 H new ATOM 917 N ASP A 58 0.126 -7.635 -7.205 1.00 0.00 N ATOM 918 CA ASP A 58 0.148 -7.037 -8.535 1.00 0.00 C ATOM 919 C ASP A 58 1.293 -6.037 -8.662 1.00 0.00 C ATOM 920 O ASP A 58 1.787 -5.780 -9.760 1.00 0.00 O ATOM 921 CB ASP A 58 -1.185 -6.345 -8.828 1.00 0.00 C ATOM 922 CG ASP A 58 -1.377 -6.062 -10.305 1.00 0.00 C ATOM 923 OD1 ASP A 58 -0.847 -5.040 -10.787 1.00 0.00 O ATOM 924 OD2 ASP A 58 -2.059 -6.863 -10.978 1.00 0.00 O ATOM 0 H ASP A 58 -0.761 -7.535 -6.712 1.00 0.00 H new ATOM 0 HA ASP A 58 0.303 -7.834 -9.263 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.003 -6.972 -8.472 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.235 -5.409 -8.272 1.00 0.00 H new ATOM 929 N VAL A 59 1.711 -5.476 -7.532 1.00 0.00 N ATOM 930 CA VAL A 59 2.798 -4.505 -7.517 1.00 0.00 C ATOM 931 C VAL A 59 4.049 -5.070 -8.179 1.00 0.00 C ATOM 932 O VAL A 59 4.363 -6.252 -8.032 1.00 0.00 O ATOM 933 CB VAL A 59 3.142 -4.070 -6.080 1.00 0.00 C ATOM 934 CG1 VAL A 59 4.337 -3.128 -6.078 1.00 0.00 C ATOM 935 CG2 VAL A 59 1.938 -3.418 -5.418 1.00 0.00 C ATOM 0 H VAL A 59 1.313 -5.678 -6.615 1.00 0.00 H new ATOM 0 HA VAL A 59 2.454 -3.637 -8.079 1.00 0.00 H new ATOM 0 HB VAL A 59 3.408 -4.957 -5.505 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.565 -2.832 -5.054 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.200 -3.634 -6.510 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.103 -2.242 -6.669 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.199 -3.117 -4.403 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.638 -2.541 -5.991 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.112 -4.129 -5.384 1.00 0.00 H new ATOM 945 N LYS A 60 4.762 -4.219 -8.908 1.00 0.00 N ATOM 946 CA LYS A 60 5.982 -4.631 -9.593 1.00 0.00 C ATOM 947 C LYS A 60 6.771 -3.419 -10.076 1.00 0.00 C ATOM 948 O LYS A 60 6.389 -2.276 -9.823 1.00 0.00 O ATOM 949 CB LYS A 60 5.644 -5.539 -10.778 1.00 0.00 C ATOM 950 CG LYS A 60 4.494 -5.026 -11.628 1.00 0.00 C ATOM 951 CD LYS A 60 4.781 -5.191 -13.111 1.00 0.00 C ATOM 952 CE LYS A 60 4.392 -6.577 -13.604 1.00 0.00 C ATOM 953 NZ LYS A 60 4.388 -6.656 -15.091 1.00 0.00 N ATOM 0 H LYS A 60 4.516 -3.238 -9.040 1.00 0.00 H new ATOM 0 HA LYS A 60 6.598 -5.184 -8.884 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.529 -5.648 -11.406 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.394 -6.532 -10.405 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.582 -5.564 -11.371 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.317 -3.974 -11.405 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.233 -4.436 -13.675 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.841 -5.021 -13.298 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.088 -7.314 -13.203 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.403 -6.833 -13.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.118 -7.616 -15.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.705 -5.971 -15.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.338 -6.437 -15.453 1.00 0.00 H new ATOM 967 N LEU A 61 7.872 -3.676 -10.774 1.00 0.00 N ATOM 968 CA LEU A 61 8.715 -2.605 -11.295 1.00 0.00 C ATOM 969 C LEU A 61 7.967 -1.784 -12.341 1.00 0.00 C ATOM 970 O LEU A 61 8.163 -0.574 -12.451 1.00 0.00 O ATOM 971 CB LEU A 61 9.993 -3.185 -11.903 1.00 0.00 C ATOM 972 CG LEU A 61 10.940 -2.180 -12.558 1.00 0.00 C ATOM 973 CD1 LEU A 61 11.480 -1.203 -11.525 1.00 0.00 C ATOM 974 CD2 LEU A 61 12.082 -2.902 -13.260 1.00 0.00 C ATOM 0 H LEU A 61 8.202 -4.616 -10.992 1.00 0.00 H new ATOM 0 HA LEU A 61 8.980 -1.949 -10.466 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.539 -3.710 -11.119 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.712 -3.928 -12.649 1.00 0.00 H new ATOM 0 HG LEU A 61 10.380 -1.616 -13.304 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.152 -0.495 -12.010 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.652 -0.662 -11.068 1.00 0.00 H new ATOM 0 HD13 LEU A 61 12.024 -1.751 -10.755 1.00 0.00 H new ATOM 0 HD21 LEU A 61 12.746 -2.171 -13.721 1.00 0.00 H new ATOM 0 HD22 LEU A 61 12.640 -3.492 -12.534 1.00 0.00 H new ATOM 0 HD23 LEU A 61 11.678 -3.560 -14.029 1.00 0.00 H new ATOM 986 N GLY A 62 7.108 -2.450 -13.106 1.00 0.00 N ATOM 987 CA GLY A 62 6.343 -1.766 -14.132 1.00 0.00 C ATOM 988 C GLY A 62 5.155 -1.014 -13.564 1.00 0.00 C ATOM 989 O GLY A 62 4.410 -0.369 -14.302 1.00 0.00 O ATOM 0 H GLY A 62 6.928 -3.451 -13.034 1.00 0.00 H new ATOM 0 HA2 GLY A 62 6.992 -1.068 -14.660 1.00 0.00 H new ATOM 0 HA3 GLY A 62 5.993 -2.493 -14.865 1.00 0.00 H new ATOM 993 N ALA A 63 4.976 -1.099 -12.250 1.00 0.00 N ATOM 994 CA ALA A 63 3.871 -0.421 -11.584 1.00 0.00 C ATOM 995 C ALA A 63 4.381 0.617 -10.591 1.00 0.00 C ATOM 996 O ALA A 63 3.625 1.471 -10.127 1.00 0.00 O ATOM 997 CB ALA A 63 2.978 -1.433 -10.881 1.00 0.00 C ATOM 0 H ALA A 63 5.582 -1.631 -11.626 1.00 0.00 H new ATOM 0 HA ALA A 63 3.286 0.098 -12.343 1.00 0.00 H new ATOM 0 HB1 ALA A 63 2.157 -0.913 -10.388 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.576 -2.134 -11.613 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.560 -1.978 -10.138 1.00 0.00 H new ATOM 1003 N LEU A 64 5.667 0.538 -10.269 1.00 0.00 N ATOM 1004 CA LEU A 64 6.279 1.471 -9.329 1.00 0.00 C ATOM 1005 C LEU A 64 7.320 2.342 -10.027 1.00 0.00 C ATOM 1006 O LEU A 64 7.502 3.509 -9.679 1.00 0.00 O ATOM 1007 CB LEU A 64 6.929 0.709 -8.173 1.00 0.00 C ATOM 1008 CG LEU A 64 6.067 -0.368 -7.511 1.00 0.00 C ATOM 1009 CD1 LEU A 64 6.944 -1.429 -6.863 1.00 0.00 C ATOM 1010 CD2 LEU A 64 5.132 0.254 -6.484 1.00 0.00 C ATOM 0 H LEU A 64 6.306 -0.162 -10.645 1.00 0.00 H new ATOM 0 HA LEU A 64 5.495 2.118 -8.935 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.842 0.240 -8.541 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.225 1.429 -7.410 1.00 0.00 H new ATOM 0 HG LEU A 64 5.462 -0.846 -8.281 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.314 -2.187 -6.397 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.572 -1.896 -7.622 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.575 -0.966 -6.105 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.527 -0.527 -6.023 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.719 0.759 -5.716 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.480 0.976 -6.976 1.00 0.00 H new ATOM 1022 N LYS A 65 7.998 1.768 -11.014 1.00 0.00 N ATOM 1023 CA LYS A 65 9.018 2.492 -11.764 1.00 0.00 C ATOM 1024 C LYS A 65 9.786 3.447 -10.856 1.00 0.00 C ATOM 1025 O LYS A 65 9.998 4.611 -11.199 1.00 0.00 O ATOM 1026 CB LYS A 65 8.377 3.270 -12.916 1.00 0.00 C ATOM 1027 CG LYS A 65 7.152 4.068 -12.503 1.00 0.00 C ATOM 1028 CD LYS A 65 6.501 4.746 -13.697 1.00 0.00 C ATOM 1029 CE LYS A 65 5.725 5.985 -13.278 1.00 0.00 C ATOM 1030 NZ LYS A 65 6.628 7.077 -12.821 1.00 0.00 N ATOM 0 H LYS A 65 7.860 0.803 -11.314 1.00 0.00 H new ATOM 0 HA LYS A 65 9.719 1.764 -12.171 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.116 3.949 -13.341 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.096 2.571 -13.704 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.432 3.407 -12.021 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.437 4.820 -11.767 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.266 5.022 -14.422 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.830 4.045 -14.194 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.124 6.338 -14.116 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.033 5.726 -12.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.136 7.990 -12.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.897 6.913 -11.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.483 7.091 -13.413 1.00 0.00 H new ATOM 1044 N LEU A 66 10.202 2.948 -9.697 1.00 0.00 N ATOM 1045 CA LEU A 66 10.948 3.757 -8.740 1.00 0.00 C ATOM 1046 C LEU A 66 12.408 3.318 -8.677 1.00 0.00 C ATOM 1047 O LEU A 66 12.822 2.397 -9.382 1.00 0.00 O ATOM 1048 CB LEU A 66 10.313 3.656 -7.352 1.00 0.00 C ATOM 1049 CG LEU A 66 9.440 4.837 -6.926 1.00 0.00 C ATOM 1050 CD1 LEU A 66 8.051 4.358 -6.530 1.00 0.00 C ATOM 1051 CD2 LEU A 66 10.091 5.595 -5.779 1.00 0.00 C ATOM 0 H LEU A 66 10.035 1.987 -9.398 1.00 0.00 H new ATOM 0 HA LEU A 66 10.914 4.794 -9.074 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.707 2.751 -7.317 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.110 3.535 -6.618 1.00 0.00 H new ATOM 0 HG LEU A 66 9.341 5.515 -7.773 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.444 5.212 -6.230 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.582 3.860 -7.379 1.00 0.00 H new ATOM 0 HD13 LEU A 66 8.131 3.659 -5.698 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.456 6.432 -5.489 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.221 4.926 -4.928 1.00 0.00 H new ATOM 0 HD23 LEU A 66 11.064 5.971 -6.097 1.00 0.00 H new ATOM 1063 N LYS A 67 13.183 3.981 -7.826 1.00 0.00 N ATOM 1064 CA LYS A 67 14.596 3.658 -7.666 1.00 0.00 C ATOM 1065 C LYS A 67 14.924 3.354 -6.208 1.00 0.00 C ATOM 1066 O LYS A 67 14.190 3.726 -5.292 1.00 0.00 O ATOM 1067 CB LYS A 67 15.465 4.815 -8.165 1.00 0.00 C ATOM 1068 CG LYS A 67 14.862 6.184 -7.903 1.00 0.00 C ATOM 1069 CD LYS A 67 15.916 7.278 -7.962 1.00 0.00 C ATOM 1070 CE LYS A 67 16.449 7.462 -9.374 1.00 0.00 C ATOM 1071 NZ LYS A 67 17.231 8.722 -9.511 1.00 0.00 N ATOM 0 H LYS A 67 12.856 4.746 -7.236 1.00 0.00 H new ATOM 0 HA LYS A 67 14.809 2.769 -8.260 1.00 0.00 H new ATOM 0 HB2 LYS A 67 16.441 4.759 -7.684 1.00 0.00 H new ATOM 0 HB3 LYS A 67 15.630 4.699 -9.236 1.00 0.00 H new ATOM 0 HG2 LYS A 67 14.084 6.387 -8.639 1.00 0.00 H new ATOM 0 HG3 LYS A 67 14.384 6.191 -6.924 1.00 0.00 H new ATOM 0 HD2 LYS A 67 15.488 8.216 -7.608 1.00 0.00 H new ATOM 0 HD3 LYS A 67 16.738 7.029 -7.291 1.00 0.00 H new ATOM 0 HE2 LYS A 67 17.079 6.613 -9.638 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.617 7.472 -10.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 17.577 8.811 -10.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 16.623 9.534 -9.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 18.040 8.701 -8.857 1.00 0.00 H new ATOM 1085 N PRO A 68 16.052 2.664 -5.985 1.00 0.00 N ATOM 1086 CA PRO A 68 16.503 2.297 -4.640 1.00 0.00 C ATOM 1087 C PRO A 68 16.968 3.506 -3.834 1.00 0.00 C ATOM 1088 O PRO A 68 17.129 3.428 -2.617 1.00 0.00 O ATOM 1089 CB PRO A 68 17.675 1.348 -4.904 1.00 0.00 C ATOM 1090 CG PRO A 68 18.179 1.736 -6.252 1.00 0.00 C ATOM 1091 CD PRO A 68 16.975 2.188 -7.030 1.00 0.00 C ATOM 0 HA PRO A 68 15.702 1.853 -4.050 1.00 0.00 H new ATOM 0 HB2 PRO A 68 18.450 1.455 -4.145 1.00 0.00 H new ATOM 0 HB3 PRO A 68 17.353 0.307 -4.886 1.00 0.00 H new ATOM 0 HG2 PRO A 68 18.918 2.534 -6.178 1.00 0.00 H new ATOM 0 HG3 PRO A 68 18.668 0.894 -6.743 1.00 0.00 H new ATOM 0 HD2 PRO A 68 17.226 2.980 -7.735 1.00 0.00 H new ATOM 0 HD3 PRO A 68 16.541 1.372 -7.608 1.00 0.00 H new ATOM 1099 N ASN A 69 17.181 4.623 -4.522 1.00 0.00 N ATOM 1100 CA ASN A 69 17.628 5.849 -3.870 1.00 0.00 C ATOM 1101 C ASN A 69 16.665 6.255 -2.758 1.00 0.00 C ATOM 1102 O ASN A 69 17.044 6.954 -1.818 1.00 0.00 O ATOM 1103 CB ASN A 69 17.749 6.980 -4.893 1.00 0.00 C ATOM 1104 CG ASN A 69 18.363 8.233 -4.299 1.00 0.00 C ATOM 1105 OD1 ASN A 69 17.660 9.082 -3.751 1.00 0.00 O ATOM 1106 ND2 ASN A 69 19.681 8.354 -4.407 1.00 0.00 N ATOM 0 H ASN A 69 17.051 4.705 -5.530 1.00 0.00 H new ATOM 0 HA ASN A 69 18.607 5.661 -3.429 1.00 0.00 H new ATOM 0 HB2 ASN A 69 18.357 6.643 -5.733 1.00 0.00 H new ATOM 0 HB3 ASN A 69 16.761 7.215 -5.289 1.00 0.00 H new ATOM 0 HD21 ASN A 69 20.150 9.176 -4.027 1.00 0.00 H new ATOM 0 HD22 ASN A 69 20.224 7.625 -4.870 1.00 0.00 H new ATOM 1113 N THR A 70 15.417 5.811 -2.872 1.00 0.00 N ATOM 1114 CA THR A 70 14.400 6.127 -1.877 1.00 0.00 C ATOM 1115 C THR A 70 14.899 5.833 -0.467 1.00 0.00 C ATOM 1116 O THR A 70 14.753 6.654 0.439 1.00 0.00 O ATOM 1117 CB THR A 70 13.104 5.334 -2.126 1.00 0.00 C ATOM 1118 OG1 THR A 70 13.392 4.148 -2.876 1.00 0.00 O ATOM 1119 CG2 THR A 70 12.087 6.180 -2.877 1.00 0.00 C ATOM 0 H THR A 70 15.087 5.231 -3.644 1.00 0.00 H new ATOM 0 HA THR A 70 14.189 7.192 -1.970 1.00 0.00 H new ATOM 0 HB THR A 70 12.681 5.059 -1.160 1.00 0.00 H new ATOM 0 HG1 THR A 70 13.408 4.362 -3.832 1.00 0.00 H new ATOM 0 HG21 THR A 70 11.180 5.598 -3.041 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.848 7.067 -2.291 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.503 6.482 -3.838 1.00 0.00 H new ATOM 1127 N LYS A 71 15.491 4.657 -0.287 1.00 0.00 N ATOM 1128 CA LYS A 71 16.014 4.254 1.013 1.00 0.00 C ATOM 1129 C LYS A 71 14.887 4.095 2.028 1.00 0.00 C ATOM 1130 O LYS A 71 14.159 5.046 2.315 1.00 0.00 O ATOM 1131 CB LYS A 71 17.029 5.282 1.518 1.00 0.00 C ATOM 1132 CG LYS A 71 18.469 4.807 1.435 1.00 0.00 C ATOM 1133 CD LYS A 71 19.376 5.617 2.346 1.00 0.00 C ATOM 1134 CE LYS A 71 19.523 7.049 1.857 1.00 0.00 C ATOM 1135 NZ LYS A 71 20.228 7.905 2.850 1.00 0.00 N ATOM 0 H LYS A 71 15.621 3.966 -1.026 1.00 0.00 H new ATOM 0 HA LYS A 71 16.510 3.291 0.894 1.00 0.00 H new ATOM 0 HB2 LYS A 71 16.924 6.199 0.938 1.00 0.00 H new ATOM 0 HB3 LYS A 71 16.797 5.531 2.553 1.00 0.00 H new ATOM 0 HG2 LYS A 71 18.522 3.754 1.710 1.00 0.00 H new ATOM 0 HG3 LYS A 71 18.821 4.886 0.406 1.00 0.00 H new ATOM 0 HD2 LYS A 71 18.971 5.617 3.358 1.00 0.00 H new ATOM 0 HD3 LYS A 71 20.358 5.146 2.396 1.00 0.00 H new ATOM 0 HE2 LYS A 71 20.073 7.057 0.916 1.00 0.00 H new ATOM 0 HE3 LYS A 71 18.537 7.466 1.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 20.308 8.873 2.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 19.690 7.919 3.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 21.179 7.522 3.026 1.00 0.00 H new ATOM 1149 N ILE A 72 14.749 2.890 2.569 1.00 0.00 N ATOM 1150 CA ILE A 72 13.712 2.608 3.554 1.00 0.00 C ATOM 1151 C ILE A 72 14.321 2.204 4.892 1.00 0.00 C ATOM 1152 O ILE A 72 15.380 1.580 4.941 1.00 0.00 O ATOM 1153 CB ILE A 72 12.768 1.491 3.073 1.00 0.00 C ATOM 1154 CG1 ILE A 72 11.627 1.292 4.074 1.00 0.00 C ATOM 1155 CG2 ILE A 72 13.538 0.194 2.877 1.00 0.00 C ATOM 1156 CD1 ILE A 72 11.906 0.220 5.103 1.00 0.00 C ATOM 0 H ILE A 72 15.343 2.092 2.342 1.00 0.00 H new ATOM 0 HA ILE A 72 13.139 3.526 3.681 1.00 0.00 H new ATOM 0 HB ILE A 72 12.340 1.785 2.115 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.435 2.235 4.586 1.00 0.00 H new ATOM 0 HG13 ILE A 72 10.718 1.034 3.530 1.00 0.00 H new ATOM 0 HG21 ILE A 72 12.857 -0.586 2.537 1.00 0.00 H new ATOM 0 HG22 ILE A 72 14.319 0.344 2.132 1.00 0.00 H new ATOM 0 HG23 ILE A 72 13.991 -0.107 3.822 1.00 0.00 H new ATOM 0 HD11 ILE A 72 11.055 0.134 5.779 1.00 0.00 H new ATOM 0 HD12 ILE A 72 12.068 -0.733 4.600 1.00 0.00 H new ATOM 0 HD13 ILE A 72 12.796 0.486 5.673 1.00 0.00 H new ATOM 1168 N MET A 73 13.642 2.563 5.977 1.00 0.00 N ATOM 1169 CA MET A 73 14.114 2.234 7.317 1.00 0.00 C ATOM 1170 C MET A 73 13.069 1.425 8.079 1.00 0.00 C ATOM 1171 O MET A 73 11.904 1.815 8.156 1.00 0.00 O ATOM 1172 CB MET A 73 14.450 3.511 8.090 1.00 0.00 C ATOM 1173 CG MET A 73 15.800 4.106 7.723 1.00 0.00 C ATOM 1174 SD MET A 73 15.668 5.431 6.507 1.00 0.00 S ATOM 1175 CE MET A 73 17.332 6.093 6.547 1.00 0.00 C ATOM 0 H MET A 73 12.764 3.081 5.954 1.00 0.00 H new ATOM 0 HA MET A 73 15.015 1.629 7.219 1.00 0.00 H new ATOM 0 HB2 MET A 73 13.673 4.253 7.905 1.00 0.00 H new ATOM 0 HB3 MET A 73 14.436 3.294 9.158 1.00 0.00 H new ATOM 0 HG2 MET A 73 16.280 4.491 8.623 1.00 0.00 H new ATOM 0 HG3 MET A 73 16.444 3.320 7.329 1.00 0.00 H new ATOM 0 HE1 MET A 73 17.410 6.923 5.845 1.00 0.00 H new ATOM 0 HE2 MET A 73 17.559 6.446 7.553 1.00 0.00 H new ATOM 0 HE3 MET A 73 18.041 5.313 6.267 1.00 0.00 H new ATOM 1185 N MET A 74 13.493 0.298 8.640 1.00 0.00 N ATOM 1186 CA MET A 74 12.593 -0.565 9.396 1.00 0.00 C ATOM 1187 C MET A 74 12.993 -0.612 10.867 1.00 0.00 C ATOM 1188 O MET A 74 14.171 -0.491 11.204 1.00 0.00 O ATOM 1189 CB MET A 74 12.594 -1.978 8.810 1.00 0.00 C ATOM 1190 CG MET A 74 12.069 -2.046 7.385 1.00 0.00 C ATOM 1191 SD MET A 74 11.561 -3.709 6.910 1.00 0.00 S ATOM 1192 CE MET A 74 10.204 -3.986 8.046 1.00 0.00 C ATOM 0 H MET A 74 14.454 -0.039 8.586 1.00 0.00 H new ATOM 0 HA MET A 74 11.587 -0.151 9.324 1.00 0.00 H new ATOM 0 HB2 MET A 74 13.610 -2.371 8.833 1.00 0.00 H new ATOM 0 HB3 MET A 74 11.987 -2.625 9.443 1.00 0.00 H new ATOM 0 HG2 MET A 74 11.222 -1.368 7.281 1.00 0.00 H new ATOM 0 HG3 MET A 74 12.842 -1.697 6.700 1.00 0.00 H new ATOM 0 HE1 MET A 74 10.327 -4.954 8.531 1.00 0.00 H new ATOM 0 HE2 MET A 74 10.196 -3.200 8.801 1.00 0.00 H new ATOM 0 HE3 MET A 74 9.262 -3.972 7.498 1.00 0.00 H new ATOM 1202 N MET A 75 12.006 -0.788 11.739 1.00 0.00 N ATOM 1203 CA MET A 75 12.257 -0.851 13.175 1.00 0.00 C ATOM 1204 C MET A 75 11.427 -1.954 13.823 1.00 0.00 C ATOM 1205 O MET A 75 10.273 -2.174 13.456 1.00 0.00 O ATOM 1206 CB MET A 75 11.939 0.495 13.829 1.00 0.00 C ATOM 1207 CG MET A 75 11.956 0.451 15.349 1.00 0.00 C ATOM 1208 SD MET A 75 12.489 2.009 16.083 1.00 0.00 S ATOM 1209 CE MET A 75 11.571 1.990 17.621 1.00 0.00 C ATOM 0 H MET A 75 11.025 -0.890 11.477 1.00 0.00 H new ATOM 0 HA MET A 75 13.312 -1.079 13.325 1.00 0.00 H new ATOM 0 HB2 MET A 75 12.662 1.236 13.487 1.00 0.00 H new ATOM 0 HB3 MET A 75 10.957 0.829 13.494 1.00 0.00 H new ATOM 0 HG2 MET A 75 10.958 0.205 15.713 1.00 0.00 H new ATOM 0 HG3 MET A 75 12.621 -0.347 15.678 1.00 0.00 H new ATOM 0 HE1 MET A 75 11.795 2.892 18.190 1.00 0.00 H new ATOM 0 HE2 MET A 75 10.503 1.952 17.407 1.00 0.00 H new ATOM 0 HE3 MET A 75 11.856 1.114 18.204 1.00 0.00 H new ATOM 1219 N GLY A 76 12.022 -2.645 14.791 1.00 0.00 N ATOM 1220 CA GLY A 76 11.322 -3.717 15.475 1.00 0.00 C ATOM 1221 C GLY A 76 11.456 -5.046 14.758 1.00 0.00 C ATOM 1222 O GLY A 76 10.926 -6.061 15.211 1.00 0.00 O ATOM 0 H GLY A 76 12.976 -2.482 15.114 1.00 0.00 H new ATOM 0 HA2 GLY A 76 11.712 -3.813 16.488 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.266 -3.460 15.563 1.00 0.00 H new ATOM 1226 N THR A 77 12.165 -5.042 13.633 1.00 0.00 N ATOM 1227 CA THR A 77 12.364 -6.255 12.851 1.00 0.00 C ATOM 1228 C THR A 77 13.295 -7.226 13.568 1.00 0.00 C ATOM 1229 O THR A 77 14.494 -7.269 13.292 1.00 0.00 O ATOM 1230 CB THR A 77 12.944 -5.937 11.460 1.00 0.00 C ATOM 1231 OG1 THR A 77 14.132 -5.149 11.593 1.00 0.00 O ATOM 1232 CG2 THR A 77 11.929 -5.193 10.606 1.00 0.00 C ATOM 0 H THR A 77 12.611 -4.211 13.244 1.00 0.00 H new ATOM 0 HA THR A 77 11.384 -6.718 12.731 1.00 0.00 H new ATOM 0 HB THR A 77 13.186 -6.879 10.969 1.00 0.00 H new ATOM 0 HG1 THR A 77 14.754 -5.596 12.204 1.00 0.00 H new ATOM 0 HG21 THR A 77 12.362 -4.980 9.629 1.00 0.00 H new ATOM 0 HG22 THR A 77 11.038 -5.808 10.481 1.00 0.00 H new ATOM 0 HG23 THR A 77 11.659 -4.257 11.095 1.00 0.00 H new