USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 419 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 22 GLN : amide:sc= 0.321 X(o=0.34,f=-0.029) USER MOD Set 1.2: A 26 TYR OH : rot 0:sc= 0.0216 USER MOD Single : A 1 THR N :NH3+ -127:sc= 1.05 (180deg=0.0804) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.287 USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.0855 USER MOD Single : A 6 MET CE :methyl -169:sc= -0.025 (180deg=-0.343) USER MOD Single : A 9 ASN : amide:sc= -0.274 K(o=-0.27,f=-10!) USER MOD Single : A 13 GLN : amide:sc= -0.422 K(o=-0.42,f=-4.6!) USER MOD Single : A 16 LYS NZ :NH3+ 160:sc= 1.07 (180deg=0.9) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -91:sc= 0.159 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 162:sc= 0.989 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.155 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 52:sc= 0.401 USER MOD Single : A 44 THR OG1 : rot 160:sc= 1.13 USER MOD Single : A 47 TYR OH : rot 9:sc= 0.0461 USER MOD Single : A 51 LYS NZ :NH3+ 153:sc= 1.94 (180deg=0.418!) USER MOD Single : A 52 LYS NZ :NH3+ 175:sc= -0.0501! (180deg=-0.383!) USER MOD Single : A 53 TYR OH : rot 151:sc= 0.977 USER MOD Single : A 59 THR OG1 : rot -68:sc= 1.01 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 2.567 8.153 10.421 1.00 0.00 N ATOM 2 CA THR A 1 3.761 8.369 9.627 1.00 0.00 C ATOM 3 C THR A 1 3.410 7.751 8.279 1.00 0.00 C ATOM 4 O THR A 1 2.271 7.325 8.122 1.00 0.00 O ATOM 5 CB THR A 1 4.921 7.661 10.358 1.00 0.00 C ATOM 6 OG1 THR A 1 4.317 6.682 11.198 1.00 0.00 O ATOM 7 CG2 THR A 1 5.733 8.653 11.205 1.00 0.00 C ATOM 0 H1 THR A 1 2.253 9.057 10.829 1.00 0.00 H new ATOM 0 H2 THR A 1 1.814 7.765 9.817 1.00 0.00 H new ATOM 0 H3 THR A 1 2.776 7.482 11.187 1.00 0.00 H new ATOM 0 HA THR A 1 4.070 9.405 9.487 1.00 0.00 H new ATOM 0 HB THR A 1 5.613 7.215 9.644 1.00 0.00 H new ATOM 0 HG1 THR A 1 5.013 6.197 11.689 1.00 0.00 H new ATOM 0 HG21 THR A 1 6.543 8.124 11.708 1.00 0.00 H new ATOM 0 HG22 THR A 1 6.150 9.426 10.560 1.00 0.00 H new ATOM 0 HG23 THR A 1 5.083 9.113 11.949 1.00 0.00 H new ATOM 17 N ALA A 2 4.396 7.732 7.367 1.00 0.00 N ATOM 18 CA ALA A 2 4.234 7.161 6.040 1.00 0.00 C ATOM 19 C ALA A 2 5.624 6.641 5.671 1.00 0.00 C ATOM 20 O ALA A 2 6.616 7.192 6.130 1.00 0.00 O ATOM 21 CB ALA A 2 3.756 8.248 5.069 1.00 0.00 C ATOM 0 H ALA A 2 5.325 8.115 7.539 1.00 0.00 H new ATOM 0 HA ALA A 2 3.492 6.364 6.000 1.00 0.00 H new ATOM 0 HB1 ALA A 2 3.635 7.819 4.074 1.00 0.00 H new ATOM 0 HB2 ALA A 2 2.801 8.647 5.411 1.00 0.00 H new ATOM 0 HB3 ALA A 2 4.492 9.051 5.031 1.00 0.00 H new ATOM 27 N LEU A 3 5.645 5.558 4.874 1.00 0.00 N ATOM 28 CA LEU A 3 6.896 4.909 4.494 1.00 0.00 C ATOM 29 C LEU A 3 7.211 5.184 2.998 1.00 0.00 C ATOM 30 O LEU A 3 6.349 5.588 2.234 1.00 0.00 O ATOM 31 CB LEU A 3 6.784 3.394 4.771 1.00 0.00 C ATOM 32 CG LEU A 3 6.373 2.954 6.188 1.00 0.00 C ATOM 33 CD1 LEU A 3 6.667 1.461 6.414 1.00 0.00 C ATOM 34 CD2 LEU A 3 7.098 3.716 7.281 1.00 0.00 C ATOM 0 H LEU A 3 4.809 5.121 4.486 1.00 0.00 H new ATOM 0 HA LEU A 3 7.717 5.315 5.085 1.00 0.00 H new ATOM 0 HB2 LEU A 3 6.063 2.977 4.068 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.749 2.940 4.545 1.00 0.00 H new ATOM 0 HG LEU A 3 5.305 3.162 6.248 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.366 1.180 7.423 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.109 0.867 5.690 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.734 1.277 6.289 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.764 3.360 8.256 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.172 3.557 7.185 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.879 4.780 7.189 1.00 0.00 H new ATOM 46 N PHE A 4 8.495 4.958 2.639 1.00 0.00 N ATOM 47 CA PHE A 4 9.039 5.174 1.284 1.00 0.00 C ATOM 48 C PHE A 4 8.215 4.423 0.192 1.00 0.00 C ATOM 49 O PHE A 4 7.439 3.538 0.511 1.00 0.00 O ATOM 50 CB PHE A 4 10.512 4.683 1.325 1.00 0.00 C ATOM 51 CG PHE A 4 11.271 5.257 2.496 1.00 0.00 C ATOM 52 CD1 PHE A 4 11.448 6.633 2.616 1.00 0.00 C ATOM 53 CD2 PHE A 4 11.801 4.422 3.476 1.00 0.00 C ATOM 54 CE1 PHE A 4 12.134 7.165 3.700 1.00 0.00 C ATOM 55 CE2 PHE A 4 12.487 4.952 4.561 1.00 0.00 C ATOM 56 CZ PHE A 4 12.653 6.325 4.674 1.00 0.00 C ATOM 0 H PHE A 4 9.194 4.614 3.298 1.00 0.00 H new ATOM 0 HA PHE A 4 8.981 6.228 1.011 1.00 0.00 H new ATOM 0 HB2 PHE A 4 10.529 3.595 1.381 1.00 0.00 H new ATOM 0 HB3 PHE A 4 11.012 4.962 0.398 1.00 0.00 H new ATOM 0 HD1 PHE A 4 11.048 7.292 1.860 1.00 0.00 H new ATOM 0 HD2 PHE A 4 11.678 3.352 3.392 1.00 0.00 H new ATOM 0 HE1 PHE A 4 12.263 8.234 3.785 1.00 0.00 H new ATOM 0 HE2 PHE A 4 12.891 4.295 5.317 1.00 0.00 H new ATOM 0 HZ PHE A 4 13.185 6.738 5.518 1.00 0.00 H new ATOM 66 N THR A 5 8.427 4.772 -1.102 1.00 0.00 N ATOM 67 CA THR A 5 7.689 4.108 -2.180 1.00 0.00 C ATOM 68 C THR A 5 8.496 2.973 -2.837 1.00 0.00 C ATOM 69 O THR A 5 7.959 1.957 -3.264 1.00 0.00 O ATOM 70 CB THR A 5 7.444 5.168 -3.255 1.00 0.00 C ATOM 71 OG1 THR A 5 8.710 5.776 -3.501 1.00 0.00 O ATOM 72 CG2 THR A 5 6.420 6.209 -2.788 1.00 0.00 C ATOM 0 H THR A 5 9.085 5.489 -1.408 1.00 0.00 H new ATOM 0 HA THR A 5 6.777 3.678 -1.766 1.00 0.00 H new ATOM 0 HB THR A 5 7.032 4.721 -4.160 1.00 0.00 H new ATOM 0 HG1 THR A 5 8.613 6.468 -4.188 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.268 6.948 -3.574 1.00 0.00 H new ATOM 0 HG22 THR A 5 5.474 5.715 -2.567 1.00 0.00 H new ATOM 0 HG23 THR A 5 6.789 6.705 -1.890 1.00 0.00 H new ATOM 80 N MET A 6 9.807 3.256 -2.886 1.00 0.00 N ATOM 81 CA MET A 6 10.880 2.410 -3.415 1.00 0.00 C ATOM 82 C MET A 6 10.407 1.350 -4.444 1.00 0.00 C ATOM 83 O MET A 6 10.320 0.164 -4.159 1.00 0.00 O ATOM 84 CB MET A 6 11.661 1.787 -2.241 1.00 0.00 C ATOM 85 CG MET A 6 10.779 1.294 -1.085 1.00 0.00 C ATOM 86 SD MET A 6 11.741 0.327 0.090 1.00 0.00 S ATOM 87 CE MET A 6 11.458 -1.305 -0.618 1.00 0.00 C ATOM 0 H MET A 6 10.166 4.143 -2.532 1.00 0.00 H new ATOM 0 HA MET A 6 11.547 3.051 -3.992 1.00 0.00 H new ATOM 0 HB2 MET A 6 12.250 0.950 -2.616 1.00 0.00 H new ATOM 0 HB3 MET A 6 12.365 2.525 -1.856 1.00 0.00 H new ATOM 0 HG2 MET A 6 10.328 2.147 -0.577 1.00 0.00 H new ATOM 0 HG3 MET A 6 9.962 0.688 -1.478 1.00 0.00 H new ATOM 0 HE1 MET A 6 11.810 -2.069 0.076 1.00 0.00 H new ATOM 0 HE2 MET A 6 10.392 -1.443 -0.799 1.00 0.00 H new ATOM 0 HE3 MET A 6 12.001 -1.392 -1.559 1.00 0.00 H new ATOM 97 N GLY A 7 10.122 1.871 -5.657 1.00 0.00 N ATOM 98 CA GLY A 7 9.658 1.044 -6.777 1.00 0.00 C ATOM 99 C GLY A 7 8.252 1.477 -7.212 1.00 0.00 C ATOM 100 O GLY A 7 7.899 1.477 -8.383 1.00 0.00 O ATOM 0 H GLY A 7 10.207 2.863 -5.879 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.349 1.134 -7.615 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.648 -0.006 -6.483 1.00 0.00 H new ATOM 104 N GLY A 8 7.510 1.865 -6.159 1.00 0.00 N ATOM 105 CA GLY A 8 6.137 2.362 -6.171 1.00 0.00 C ATOM 106 C GLY A 8 5.767 3.257 -7.364 1.00 0.00 C ATOM 107 O GLY A 8 6.614 3.887 -7.982 1.00 0.00 O ATOM 0 H GLY A 8 7.889 1.834 -5.212 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.460 1.508 -6.156 1.00 0.00 H new ATOM 0 HA3 GLY A 8 5.964 2.922 -5.252 1.00 0.00 H new ATOM 111 N ASN A 9 4.443 3.268 -7.646 1.00 0.00 N ATOM 112 CA ASN A 9 3.937 3.999 -8.810 1.00 0.00 C ATOM 113 C ASN A 9 3.077 5.210 -8.410 1.00 0.00 C ATOM 114 O ASN A 9 2.587 5.935 -9.268 1.00 0.00 O ATOM 115 CB ASN A 9 3.125 3.037 -9.717 1.00 0.00 C ATOM 116 CG ASN A 9 1.758 2.617 -9.129 1.00 0.00 C ATOM 117 OD1 ASN A 9 1.396 2.997 -8.028 1.00 0.00 O ATOM 118 ND2 ASN A 9 0.957 1.917 -9.942 1.00 0.00 N ATOM 0 H ASN A 9 3.730 2.790 -7.095 1.00 0.00 H new ATOM 0 HA ASN A 9 4.796 4.386 -9.358 1.00 0.00 H new ATOM 0 HB2 ASN A 9 2.961 3.517 -10.682 1.00 0.00 H new ATOM 0 HB3 ASN A 9 3.719 2.142 -9.902 1.00 0.00 H new ATOM 0 HD21 ASN A 9 0.009 1.684 -9.647 1.00 0.00 H new ATOM 0 HD22 ASN A 9 1.295 1.616 -10.856 1.00 0.00 H new ATOM 125 N ALA A 10 2.889 5.392 -7.091 1.00 0.00 N ATOM 126 CA ALA A 10 2.001 6.442 -6.593 1.00 0.00 C ATOM 127 C ALA A 10 2.584 7.867 -6.608 1.00 0.00 C ATOM 128 O ALA A 10 2.511 8.575 -5.614 1.00 0.00 O ATOM 129 CB ALA A 10 1.599 6.065 -5.168 1.00 0.00 C ATOM 0 H ALA A 10 3.335 4.832 -6.365 1.00 0.00 H new ATOM 0 HA ALA A 10 1.153 6.488 -7.276 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.934 6.828 -4.763 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.085 5.104 -5.177 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.491 5.993 -4.545 1.00 0.00 H new ATOM 135 N GLU A 11 3.155 8.268 -7.761 1.00 0.00 N ATOM 136 CA GLU A 11 3.657 9.633 -7.928 1.00 0.00 C ATOM 137 C GLU A 11 4.639 10.075 -6.808 1.00 0.00 C ATOM 138 O GLU A 11 4.724 11.244 -6.455 1.00 0.00 O ATOM 139 CB GLU A 11 2.470 10.618 -8.052 1.00 0.00 C ATOM 140 CG GLU A 11 1.650 10.503 -9.355 1.00 0.00 C ATOM 141 CD GLU A 11 0.797 9.231 -9.499 1.00 0.00 C ATOM 142 OE1 GLU A 11 0.318 8.684 -8.503 1.00 0.00 O ATOM 143 OE2 GLU A 11 0.613 8.762 -10.623 1.00 0.00 O ATOM 0 H GLU A 11 3.276 7.669 -8.578 1.00 0.00 H new ATOM 0 HA GLU A 11 4.240 9.647 -8.849 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.800 10.463 -7.206 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.854 11.635 -7.972 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.992 11.369 -9.425 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.337 10.555 -10.200 1.00 0.00 H new ATOM 150 N GLY A 12 5.378 9.079 -6.272 1.00 0.00 N ATOM 151 CA GLY A 12 6.364 9.373 -5.219 1.00 0.00 C ATOM 152 C GLY A 12 5.722 9.552 -3.824 1.00 0.00 C ATOM 153 O GLY A 12 6.426 9.739 -2.841 1.00 0.00 O ATOM 0 H GLY A 12 5.313 8.098 -6.542 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.094 8.564 -5.176 1.00 0.00 H new ATOM 0 HA3 GLY A 12 6.908 10.280 -5.482 1.00 0.00 H new ATOM 157 N GLN A 13 4.375 9.491 -3.768 1.00 0.00 N ATOM 158 CA GLN A 13 3.683 9.630 -2.489 1.00 0.00 C ATOM 159 C GLN A 13 3.995 8.391 -1.617 1.00 0.00 C ATOM 160 O GLN A 13 3.883 7.270 -2.091 1.00 0.00 O ATOM 161 CB GLN A 13 2.155 9.741 -2.680 1.00 0.00 C ATOM 162 CG GLN A 13 1.674 11.028 -3.385 1.00 0.00 C ATOM 163 CD GLN A 13 1.879 12.275 -2.500 1.00 0.00 C ATOM 164 OE1 GLN A 13 2.465 12.218 -1.428 1.00 0.00 O ATOM 165 NE2 GLN A 13 1.324 13.397 -2.979 1.00 0.00 N ATOM 0 H GLN A 13 3.767 9.350 -4.575 1.00 0.00 H new ATOM 0 HA GLN A 13 4.031 10.543 -2.006 1.00 0.00 H new ATOM 0 HB2 GLN A 13 1.813 8.881 -3.255 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.677 9.681 -1.702 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.216 11.154 -4.322 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.618 10.931 -3.638 1.00 0.00 H new ATOM 0 HE21 GLN A 13 0.847 13.385 -3.881 1.00 0.00 H new ATOM 0 HE22 GLN A 13 1.379 14.262 -2.442 1.00 0.00 H new ATOM 174 N PRO A 14 4.393 8.616 -0.337 1.00 0.00 N ATOM 175 CA PRO A 14 4.774 7.525 0.560 1.00 0.00 C ATOM 176 C PRO A 14 3.556 6.685 0.998 1.00 0.00 C ATOM 177 O PRO A 14 2.438 7.183 1.043 1.00 0.00 O ATOM 178 CB PRO A 14 5.411 8.258 1.752 1.00 0.00 C ATOM 179 CG PRO A 14 4.754 9.641 1.771 1.00 0.00 C ATOM 180 CD PRO A 14 4.480 9.933 0.295 1.00 0.00 C ATOM 0 HA PRO A 14 5.446 6.808 0.088 1.00 0.00 H new ATOM 0 HB2 PRO A 14 5.231 7.724 2.685 1.00 0.00 H new ATOM 0 HB3 PRO A 14 6.492 8.337 1.634 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.834 9.639 2.356 1.00 0.00 H new ATOM 0 HG3 PRO A 14 5.411 10.390 2.212 1.00 0.00 H new ATOM 0 HD2 PRO A 14 3.554 10.495 0.168 1.00 0.00 H new ATOM 0 HD3 PRO A 14 5.278 10.531 -0.145 1.00 0.00 H new ATOM 188 N CYS A 15 3.842 5.401 1.325 1.00 0.00 N ATOM 189 CA CYS A 15 2.829 4.448 1.806 1.00 0.00 C ATOM 190 C CYS A 15 1.864 5.122 2.805 1.00 0.00 C ATOM 191 O CYS A 15 2.276 5.850 3.701 1.00 0.00 O ATOM 192 CB CYS A 15 3.491 3.349 2.649 1.00 0.00 C ATOM 193 SG CYS A 15 4.472 2.110 1.769 1.00 0.00 S ATOM 0 H CYS A 15 4.780 5.005 1.261 1.00 0.00 H new ATOM 0 HA CYS A 15 2.323 4.071 0.917 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.136 3.830 3.385 1.00 0.00 H new ATOM 0 HB3 CYS A 15 2.708 2.830 3.202 1.00 0.00 H new ATOM 198 N LYS A 16 0.572 4.828 2.582 1.00 0.00 N ATOM 199 CA LYS A 16 -0.506 5.422 3.347 1.00 0.00 C ATOM 200 C LYS A 16 -1.162 4.341 4.213 1.00 0.00 C ATOM 201 O LYS A 16 -1.723 3.368 3.730 1.00 0.00 O ATOM 202 CB LYS A 16 -1.503 6.010 2.332 1.00 0.00 C ATOM 203 CG LYS A 16 -2.664 6.874 2.882 1.00 0.00 C ATOM 204 CD LYS A 16 -2.225 7.948 3.893 1.00 0.00 C ATOM 205 CE LYS A 16 -2.103 7.393 5.314 1.00 0.00 C ATOM 206 NZ LYS A 16 -2.662 8.138 6.436 1.00 0.00 N ATOM 0 H LYS A 16 0.260 4.172 1.866 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.150 6.208 4.014 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.941 6.617 1.622 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.937 5.183 1.771 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.167 7.361 2.047 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.395 6.220 3.357 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.266 8.364 3.584 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.945 8.767 3.886 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.565 6.406 5.318 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.042 7.249 5.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.799 7.498 7.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.009 8.901 6.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.577 8.547 6.160 1.00 0.00 H new ATOM 220 N PHE A 17 -1.068 4.609 5.525 1.00 0.00 N ATOM 221 CA PHE A 17 -1.689 3.783 6.550 1.00 0.00 C ATOM 222 C PHE A 17 -2.691 4.702 7.289 1.00 0.00 C ATOM 223 O PHE A 17 -2.350 5.842 7.619 1.00 0.00 O ATOM 224 CB PHE A 17 -0.624 3.282 7.549 1.00 0.00 C ATOM 225 CG PHE A 17 0.478 2.450 6.942 1.00 0.00 C ATOM 226 CD1 PHE A 17 0.263 1.595 5.866 1.00 0.00 C ATOM 227 CD2 PHE A 17 1.756 2.519 7.482 1.00 0.00 C ATOM 228 CE1 PHE A 17 1.299 0.840 5.338 1.00 0.00 C ATOM 229 CE2 PHE A 17 2.793 1.764 6.962 1.00 0.00 C ATOM 230 CZ PHE A 17 2.571 0.924 5.884 1.00 0.00 C ATOM 0 H PHE A 17 -0.556 5.409 5.897 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.177 2.912 6.112 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -0.177 4.145 8.044 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.120 2.694 8.321 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.725 1.518 5.436 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.944 3.172 8.321 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.115 0.185 4.499 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.779 1.830 7.399 1.00 0.00 H new ATOM 0 HZ PHE A 17 3.381 0.340 5.472 1.00 0.00 H new ATOM 240 N PRO A 18 -3.944 4.226 7.506 1.00 0.00 N ATOM 241 CA PRO A 18 -4.521 3.005 6.940 1.00 0.00 C ATOM 242 C PRO A 18 -4.976 3.223 5.477 1.00 0.00 C ATOM 243 O PRO A 18 -5.466 4.290 5.126 1.00 0.00 O ATOM 244 CB PRO A 18 -5.755 2.754 7.816 1.00 0.00 C ATOM 245 CG PRO A 18 -6.182 4.147 8.287 1.00 0.00 C ATOM 246 CD PRO A 18 -4.875 4.941 8.376 1.00 0.00 C ATOM 0 HA PRO A 18 -3.806 2.182 6.928 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.549 2.265 7.252 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -5.518 2.106 8.659 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.878 4.607 7.586 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.685 4.102 9.253 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.014 5.970 8.045 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.506 4.982 9.401 1.00 0.00 H new ATOM 254 N PHE A 19 -4.802 2.160 4.670 1.00 0.00 N ATOM 255 CA PHE A 19 -5.307 2.125 3.297 1.00 0.00 C ATOM 256 C PHE A 19 -6.331 0.983 3.278 1.00 0.00 C ATOM 257 O PHE A 19 -6.109 -0.068 3.860 1.00 0.00 O ATOM 258 CB PHE A 19 -4.243 1.899 2.202 1.00 0.00 C ATOM 259 CG PHE A 19 -3.447 0.602 2.352 1.00 0.00 C ATOM 260 CD1 PHE A 19 -2.588 0.342 3.432 1.00 0.00 C ATOM 261 CD2 PHE A 19 -3.564 -0.374 1.354 1.00 0.00 C ATOM 262 CE1 PHE A 19 -1.826 -0.811 3.472 1.00 0.00 C ATOM 263 CE2 PHE A 19 -2.790 -1.555 1.404 1.00 0.00 C ATOM 264 CZ PHE A 19 -1.915 -1.751 2.460 1.00 0.00 C ATOM 0 H PHE A 19 -4.311 1.312 4.954 1.00 0.00 H new ATOM 0 HA PHE A 19 -5.721 3.103 3.053 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.735 1.899 1.229 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.549 2.740 2.208 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.522 1.053 4.243 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.254 -0.222 0.537 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -1.155 -0.980 4.301 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -2.880 -2.298 0.626 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.301 -2.639 2.494 1.00 0.00 H new ATOM 274 N ARG A 20 -7.471 1.245 2.627 1.00 0.00 N ATOM 275 CA ARG A 20 -8.564 0.278 2.603 1.00 0.00 C ATOM 276 C ARG A 20 -8.552 -0.454 1.252 1.00 0.00 C ATOM 277 O ARG A 20 -8.597 0.182 0.203 1.00 0.00 O ATOM 278 CB ARG A 20 -9.862 1.085 2.817 1.00 0.00 C ATOM 279 CG ARG A 20 -11.072 0.307 3.343 1.00 0.00 C ATOM 280 CD ARG A 20 -11.661 -0.759 2.373 1.00 0.00 C ATOM 281 NE ARG A 20 -11.593 -0.428 0.926 1.00 0.00 N ATOM 282 CZ ARG A 20 -12.144 0.667 0.369 1.00 0.00 C ATOM 283 NH1 ARG A 20 -12.716 1.624 1.086 1.00 0.00 N ATOM 284 NH2 ARG A 20 -12.087 0.792 -0.942 1.00 0.00 N ATOM 0 H ARG A 20 -7.655 2.109 2.117 1.00 0.00 H new ATOM 0 HA ARG A 20 -8.474 -0.482 3.379 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.649 1.896 3.514 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.138 1.545 1.868 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.786 -0.190 4.270 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.859 1.019 3.592 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -11.135 -1.700 2.536 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -12.705 -0.927 2.639 1.00 0.00 H new ATOM 0 HE ARG A 20 -11.095 -1.074 0.313 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.751 1.548 2.103 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -13.121 2.437 0.621 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.635 0.071 -1.504 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.495 1.610 -1.395 1.00 0.00 H new ATOM 298 N PHE A 21 -8.494 -1.802 1.332 1.00 0.00 N ATOM 299 CA PHE A 21 -8.487 -2.639 0.130 1.00 0.00 C ATOM 300 C PHE A 21 -9.458 -3.811 0.356 1.00 0.00 C ATOM 301 O PHE A 21 -9.560 -4.357 1.448 1.00 0.00 O ATOM 302 CB PHE A 21 -7.070 -3.179 -0.111 1.00 0.00 C ATOM 303 CG PHE A 21 -6.958 -4.066 -1.331 1.00 0.00 C ATOM 304 CD1 PHE A 21 -7.465 -3.663 -2.555 1.00 0.00 C ATOM 305 CD2 PHE A 21 -6.330 -5.300 -1.261 1.00 0.00 C ATOM 306 CE1 PHE A 21 -7.303 -4.437 -3.696 1.00 0.00 C ATOM 307 CE2 PHE A 21 -6.150 -6.085 -2.394 1.00 0.00 C ATOM 308 CZ PHE A 21 -6.630 -5.648 -3.620 1.00 0.00 C ATOM 0 H PHE A 21 -8.452 -2.321 2.209 1.00 0.00 H new ATOM 0 HA PHE A 21 -8.795 -2.058 -0.739 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -6.384 -2.339 -0.219 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -6.750 -3.741 0.767 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -7.998 -2.726 -2.623 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -5.973 -5.659 -0.307 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -7.700 -4.097 -4.641 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -5.638 -7.033 -2.320 1.00 0.00 H new ATOM 0 HZ PHE A 21 -6.481 -6.245 -4.508 1.00 0.00 H new ATOM 318 N GLN A 22 -10.169 -4.152 -0.733 1.00 0.00 N ATOM 319 CA GLN A 22 -11.147 -5.236 -0.765 1.00 0.00 C ATOM 320 C GLN A 22 -12.233 -5.089 0.333 1.00 0.00 C ATOM 321 O GLN A 22 -12.855 -6.065 0.731 1.00 0.00 O ATOM 322 CB GLN A 22 -10.495 -6.649 -0.673 1.00 0.00 C ATOM 323 CG GLN A 22 -9.535 -7.050 -1.827 1.00 0.00 C ATOM 324 CD GLN A 22 -8.630 -8.247 -1.471 1.00 0.00 C ATOM 325 OE1 GLN A 22 -8.498 -9.177 -2.255 1.00 0.00 O ATOM 326 NE2 GLN A 22 -8.024 -8.210 -0.280 1.00 0.00 N ATOM 0 H GLN A 22 -10.073 -3.670 -1.627 1.00 0.00 H new ATOM 0 HA GLN A 22 -11.627 -5.150 -1.740 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -9.943 -6.709 0.265 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -11.293 -7.390 -0.621 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -10.122 -7.296 -2.712 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -8.911 -6.195 -2.087 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -8.165 -7.412 0.340 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -7.420 -8.980 0.009 1.00 0.00 H new ATOM 335 N GLY A 23 -12.442 -3.836 0.794 1.00 0.00 N ATOM 336 CA GLY A 23 -13.476 -3.594 1.801 1.00 0.00 C ATOM 337 C GLY A 23 -12.965 -3.632 3.254 1.00 0.00 C ATOM 338 O GLY A 23 -13.720 -3.352 4.176 1.00 0.00 O ATOM 0 H GLY A 23 -11.925 -3.010 0.493 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.930 -2.621 1.613 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.262 -4.340 1.685 1.00 0.00 H new ATOM 342 N THR A 24 -11.667 -3.955 3.416 1.00 0.00 N ATOM 343 CA THR A 24 -11.056 -4.037 4.742 1.00 0.00 C ATOM 344 C THR A 24 -9.909 -3.007 4.854 1.00 0.00 C ATOM 345 O THR A 24 -9.192 -2.737 3.900 1.00 0.00 O ATOM 346 CB THR A 24 -10.572 -5.485 4.906 1.00 0.00 C ATOM 347 OG1 THR A 24 -11.722 -6.309 4.801 1.00 0.00 O ATOM 348 CG2 THR A 24 -9.850 -5.745 6.241 1.00 0.00 C ATOM 0 H THR A 24 -11.031 -4.161 2.646 1.00 0.00 H new ATOM 0 HA THR A 24 -11.758 -3.795 5.540 1.00 0.00 H new ATOM 0 HB THR A 24 -9.833 -5.702 4.134 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.461 -7.249 4.898 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.536 -6.788 6.288 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.975 -5.099 6.313 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.527 -5.532 7.068 1.00 0.00 H new ATOM 356 N SER A 25 -9.786 -2.441 6.070 1.00 0.00 N ATOM 357 CA SER A 25 -8.758 -1.456 6.388 1.00 0.00 C ATOM 358 C SER A 25 -7.441 -2.179 6.742 1.00 0.00 C ATOM 359 O SER A 25 -7.408 -3.073 7.578 1.00 0.00 O ATOM 360 CB SER A 25 -9.288 -0.619 7.563 1.00 0.00 C ATOM 361 OG SER A 25 -10.215 -1.401 8.314 1.00 0.00 O ATOM 0 H SER A 25 -10.401 -2.660 6.853 1.00 0.00 H new ATOM 0 HA SER A 25 -8.544 -0.803 5.542 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.463 -0.300 8.200 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.772 0.285 7.193 1.00 0.00 H new ATOM 0 HG SER A 25 -11.120 -1.258 7.967 1.00 0.00 H new ATOM 367 N TYR A 26 -6.370 -1.764 6.038 1.00 0.00 N ATOM 368 CA TYR A 26 -5.032 -2.335 6.186 1.00 0.00 C ATOM 369 C TYR A 26 -4.117 -1.215 6.715 1.00 0.00 C ATOM 370 O TYR A 26 -4.229 -0.072 6.289 1.00 0.00 O ATOM 371 CB TYR A 26 -4.458 -2.767 4.819 1.00 0.00 C ATOM 372 CG TYR A 26 -5.152 -3.880 4.065 1.00 0.00 C ATOM 373 CD1 TYR A 26 -6.353 -4.467 4.455 1.00 0.00 C ATOM 374 CD2 TYR A 26 -4.555 -4.344 2.899 1.00 0.00 C ATOM 375 CE1 TYR A 26 -6.930 -5.473 3.697 1.00 0.00 C ATOM 376 CE2 TYR A 26 -5.126 -5.357 2.151 1.00 0.00 C ATOM 377 CZ TYR A 26 -6.321 -5.922 2.549 1.00 0.00 C ATOM 378 OH TYR A 26 -6.917 -6.920 1.813 1.00 0.00 O ATOM 0 H TYR A 26 -6.418 -1.016 5.346 1.00 0.00 H new ATOM 0 HA TYR A 26 -5.084 -3.199 6.849 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -4.442 -1.889 4.174 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.422 -3.067 4.974 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -6.841 -4.134 5.359 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -3.625 -3.904 2.570 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -7.867 -5.909 4.011 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -4.636 -5.707 1.254 1.00 0.00 H new ATOM 0 HH TYR A 26 -7.755 -7.188 2.244 1.00 0.00 H new ATOM 388 N ASP A 27 -3.224 -1.593 7.654 1.00 0.00 N ATOM 389 CA ASP A 27 -2.305 -0.624 8.265 1.00 0.00 C ATOM 390 C ASP A 27 -0.849 -1.151 8.216 1.00 0.00 C ATOM 391 O ASP A 27 -0.029 -0.880 9.083 1.00 0.00 O ATOM 392 CB ASP A 27 -2.800 -0.355 9.703 1.00 0.00 C ATOM 393 CG ASP A 27 -2.478 1.073 10.170 1.00 0.00 C ATOM 394 OD1 ASP A 27 -3.041 2.010 9.604 1.00 0.00 O ATOM 395 OD2 ASP A 27 -1.689 1.239 11.097 1.00 0.00 O ATOM 0 H ASP A 27 -3.124 -2.548 7.998 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.298 0.317 7.714 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.877 -0.517 9.751 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.339 -1.071 10.384 1.00 0.00 H new ATOM 400 N SER A 28 -0.574 -1.945 7.163 1.00 0.00 N ATOM 401 CA SER A 28 0.743 -2.555 7.020 1.00 0.00 C ATOM 402 C SER A 28 0.858 -3.033 5.565 1.00 0.00 C ATOM 403 O SER A 28 -0.128 -3.018 4.836 1.00 0.00 O ATOM 404 CB SER A 28 0.838 -3.733 8.019 1.00 0.00 C ATOM 405 OG SER A 28 -0.324 -4.542 7.859 1.00 0.00 O ATOM 0 H SER A 28 -1.235 -2.170 6.420 1.00 0.00 H new ATOM 0 HA SER A 28 1.556 -1.862 7.236 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.738 -4.319 7.833 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.905 -3.361 9.041 1.00 0.00 H new ATOM 0 HG SER A 28 -0.285 -5.297 8.482 1.00 0.00 H new ATOM 411 N CYS A 29 2.084 -3.435 5.160 1.00 0.00 N ATOM 412 CA CYS A 29 2.236 -3.925 3.791 1.00 0.00 C ATOM 413 C CYS A 29 1.354 -5.199 3.586 1.00 0.00 C ATOM 414 O CYS A 29 1.109 -5.950 4.526 1.00 0.00 O ATOM 415 CB CYS A 29 3.677 -4.345 3.515 1.00 0.00 C ATOM 416 SG CYS A 29 4.911 -3.047 3.734 1.00 0.00 S ATOM 0 H CYS A 29 2.930 -3.429 5.729 1.00 0.00 H new ATOM 0 HA CYS A 29 1.941 -3.116 3.122 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.928 -5.177 4.172 1.00 0.00 H new ATOM 0 HB3 CYS A 29 3.741 -4.716 2.492 1.00 0.00 H new ATOM 421 N THR A 30 0.927 -5.455 2.337 1.00 0.00 N ATOM 422 CA THR A 30 0.214 -6.696 2.030 1.00 0.00 C ATOM 423 C THR A 30 0.859 -7.308 0.780 1.00 0.00 C ATOM 424 O THR A 30 1.708 -6.701 0.148 1.00 0.00 O ATOM 425 CB THR A 30 -1.295 -6.463 1.851 1.00 0.00 C ATOM 426 OG1 THR A 30 -1.875 -7.742 1.620 1.00 0.00 O ATOM 427 CG2 THR A 30 -1.593 -5.520 0.668 1.00 0.00 C ATOM 0 H THR A 30 1.062 -4.830 1.542 1.00 0.00 H new ATOM 0 HA THR A 30 0.300 -7.391 2.865 1.00 0.00 H new ATOM 0 HB THR A 30 -1.710 -5.985 2.738 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.841 -7.697 1.781 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.670 -5.381 0.576 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.117 -4.555 0.843 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.203 -5.956 -0.252 1.00 0.00 H new ATOM 435 N THR A 31 0.384 -8.523 0.462 1.00 0.00 N ATOM 436 CA THR A 31 0.809 -9.238 -0.741 1.00 0.00 C ATOM 437 C THR A 31 -0.397 -9.603 -1.631 1.00 0.00 C ATOM 438 O THR A 31 -0.245 -10.205 -2.686 1.00 0.00 O ATOM 439 CB THR A 31 1.640 -10.480 -0.349 1.00 0.00 C ATOM 440 OG1 THR A 31 1.973 -10.438 1.040 1.00 0.00 O ATOM 441 CG2 THR A 31 2.926 -10.566 -1.175 1.00 0.00 C ATOM 0 H THR A 31 -0.298 -9.028 1.028 1.00 0.00 H new ATOM 0 HA THR A 31 1.445 -8.582 -1.335 1.00 0.00 H new ATOM 0 HB THR A 31 1.033 -11.362 -0.552 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.498 -11.232 1.275 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.491 -11.450 -0.878 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.675 -10.635 -2.233 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.529 -9.675 -1.003 1.00 0.00 H new ATOM 449 N GLU A 32 -1.606 -9.230 -1.166 1.00 0.00 N ATOM 450 CA GLU A 32 -2.800 -9.568 -1.925 1.00 0.00 C ATOM 451 C GLU A 32 -2.779 -8.835 -3.275 1.00 0.00 C ATOM 452 O GLU A 32 -2.821 -7.613 -3.330 1.00 0.00 O ATOM 453 CB GLU A 32 -4.021 -9.169 -1.091 1.00 0.00 C ATOM 454 CG GLU A 32 -4.150 -10.021 0.185 1.00 0.00 C ATOM 455 CD GLU A 32 -5.023 -9.297 1.207 1.00 0.00 C ATOM 456 OE1 GLU A 32 -4.537 -8.361 1.834 1.00 0.00 O ATOM 457 OE2 GLU A 32 -6.190 -9.637 1.360 1.00 0.00 O ATOM 0 H GLU A 32 -1.768 -8.715 -0.301 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.841 -10.637 -2.132 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.946 -8.116 -0.818 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.923 -9.279 -1.693 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.586 -10.990 -0.057 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.163 -10.212 0.607 1.00 0.00 H new ATOM 464 N GLY A 33 -2.698 -9.651 -4.342 1.00 0.00 N ATOM 465 CA GLY A 33 -2.682 -9.111 -5.697 1.00 0.00 C ATOM 466 C GLY A 33 -1.329 -9.287 -6.397 1.00 0.00 C ATOM 467 O GLY A 33 -1.247 -9.133 -7.608 1.00 0.00 O ATOM 0 H GLY A 33 -2.644 -10.668 -4.286 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.456 -9.602 -6.287 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.932 -8.051 -5.662 1.00 0.00 H new ATOM 471 N ARG A 34 -0.281 -9.616 -5.609 1.00 0.00 N ATOM 472 CA ARG A 34 1.033 -9.803 -6.261 1.00 0.00 C ATOM 473 C ARG A 34 1.519 -11.241 -6.049 1.00 0.00 C ATOM 474 O ARG A 34 1.613 -11.736 -4.935 1.00 0.00 O ATOM 475 CB ARG A 34 2.068 -8.847 -5.663 1.00 0.00 C ATOM 476 CG ARG A 34 1.725 -7.378 -5.950 1.00 0.00 C ATOM 477 CD ARG A 34 2.957 -6.456 -5.812 1.00 0.00 C ATOM 478 NE ARG A 34 3.757 -6.536 -7.047 1.00 0.00 N ATOM 479 CZ ARG A 34 3.751 -5.574 -8.001 1.00 0.00 C ATOM 480 NH1 ARG A 34 3.021 -4.475 -7.850 1.00 0.00 N ATOM 481 NH2 ARG A 34 4.476 -5.736 -9.098 1.00 0.00 N ATOM 0 H ARG A 34 -0.308 -9.749 -4.598 1.00 0.00 H new ATOM 0 HA ARG A 34 0.918 -9.598 -7.325 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.126 -9.002 -4.586 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.052 -9.076 -6.071 1.00 0.00 H new ATOM 0 HG2 ARG A 34 1.319 -7.291 -6.958 1.00 0.00 H new ATOM 0 HG3 ARG A 34 0.946 -7.047 -5.263 1.00 0.00 H new ATOM 0 HD2 ARG A 34 2.640 -5.428 -5.635 1.00 0.00 H new ATOM 0 HD3 ARG A 34 3.558 -6.757 -4.954 1.00 0.00 H new ATOM 0 HE ARG A 34 4.345 -7.357 -7.191 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.457 -4.349 -7.009 1.00 0.00 H new ATOM 0 HH12 ARG A 34 3.024 -3.757 -8.575 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.034 -6.581 -9.220 1.00 0.00 H new ATOM 0 HH22 ARG A 34 4.476 -5.016 -9.820 1.00 0.00 H new ATOM 495 N THR A 35 1.861 -11.848 -7.199 1.00 0.00 N ATOM 496 CA THR A 35 2.371 -13.214 -7.231 1.00 0.00 C ATOM 497 C THR A 35 3.831 -13.207 -7.728 1.00 0.00 C ATOM 498 O THR A 35 4.337 -14.202 -8.229 1.00 0.00 O ATOM 499 CB THR A 35 1.463 -14.050 -8.156 1.00 0.00 C ATOM 500 OG1 THR A 35 0.138 -13.562 -8.002 1.00 0.00 O ATOM 501 CG2 THR A 35 1.528 -15.551 -7.824 1.00 0.00 C ATOM 0 H THR A 35 1.790 -11.406 -8.116 1.00 0.00 H new ATOM 0 HA THR A 35 2.362 -13.656 -6.235 1.00 0.00 H new ATOM 0 HB THR A 35 1.800 -13.950 -9.188 1.00 0.00 H new ATOM 0 HG1 THR A 35 -0.468 -14.072 -8.579 1.00 0.00 H new ATOM 0 HG21 THR A 35 0.873 -16.102 -8.500 1.00 0.00 H new ATOM 0 HG22 THR A 35 2.552 -15.906 -7.941 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.205 -15.710 -6.795 1.00 0.00 H new ATOM 509 N ASP A 36 4.469 -12.029 -7.561 1.00 0.00 N ATOM 510 CA ASP A 36 5.846 -11.824 -8.010 1.00 0.00 C ATOM 511 C ASP A 36 6.838 -11.738 -6.830 1.00 0.00 C ATOM 512 O ASP A 36 8.031 -11.537 -7.024 1.00 0.00 O ATOM 513 CB ASP A 36 5.907 -10.559 -8.887 1.00 0.00 C ATOM 514 CG ASP A 36 5.459 -9.266 -8.183 1.00 0.00 C ATOM 515 OD1 ASP A 36 5.240 -9.261 -6.974 1.00 0.00 O ATOM 516 OD2 ASP A 36 5.328 -8.250 -8.858 1.00 0.00 O ATOM 0 H ASP A 36 4.046 -11.213 -7.119 1.00 0.00 H new ATOM 0 HA ASP A 36 6.150 -12.689 -8.599 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.929 -10.428 -9.241 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.282 -10.713 -9.767 1.00 0.00 H new ATOM 521 N GLY A 37 6.294 -11.935 -5.608 1.00 0.00 N ATOM 522 CA GLY A 37 7.136 -11.956 -4.416 1.00 0.00 C ATOM 523 C GLY A 37 7.155 -10.638 -3.639 1.00 0.00 C ATOM 524 O GLY A 37 7.652 -10.592 -2.521 1.00 0.00 O ATOM 0 H GLY A 37 5.299 -12.077 -5.434 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.790 -12.750 -3.754 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.155 -12.207 -4.709 1.00 0.00 H new ATOM 528 N TYR A 38 6.635 -9.566 -4.267 1.00 0.00 N ATOM 529 CA TYR A 38 6.733 -8.257 -3.619 1.00 0.00 C ATOM 530 C TYR A 38 5.458 -7.929 -2.829 1.00 0.00 C ATOM 531 O TYR A 38 4.338 -8.182 -3.253 1.00 0.00 O ATOM 532 CB TYR A 38 7.110 -7.198 -4.673 1.00 0.00 C ATOM 533 CG TYR A 38 8.231 -7.722 -5.536 1.00 0.00 C ATOM 534 CD1 TYR A 38 9.398 -8.231 -4.983 1.00 0.00 C ATOM 535 CD2 TYR A 38 8.104 -7.780 -6.913 1.00 0.00 C ATOM 536 CE1 TYR A 38 10.360 -8.828 -5.766 1.00 0.00 C ATOM 537 CE2 TYR A 38 9.062 -8.377 -7.698 1.00 0.00 C ATOM 538 CZ TYR A 38 10.198 -8.921 -7.133 1.00 0.00 C ATOM 539 OH TYR A 38 11.142 -9.558 -7.908 1.00 0.00 O ATOM 0 H TYR A 38 6.168 -9.580 -5.174 1.00 0.00 H new ATOM 0 HA TYR A 38 7.528 -8.265 -2.873 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.244 -6.959 -5.290 1.00 0.00 H new ATOM 0 HB3 TYR A 38 7.416 -6.274 -4.182 1.00 0.00 H new ATOM 0 HD1 TYR A 38 9.554 -8.157 -3.917 1.00 0.00 H new ATOM 0 HD2 TYR A 38 7.233 -7.347 -7.381 1.00 0.00 H new ATOM 0 HE1 TYR A 38 11.251 -9.228 -5.305 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.924 -8.421 -8.768 1.00 0.00 H new ATOM 0 HH TYR A 38 10.866 -9.531 -8.848 1.00 0.00 H new ATOM 549 N ARG A 39 5.724 -7.346 -1.646 1.00 0.00 N ATOM 550 CA ARG A 39 4.617 -6.895 -0.775 1.00 0.00 C ATOM 551 C ARG A 39 4.476 -5.391 -1.076 1.00 0.00 C ATOM 552 O ARG A 39 5.481 -4.702 -1.205 1.00 0.00 O ATOM 553 CB ARG A 39 4.995 -7.188 0.698 1.00 0.00 C ATOM 554 CG ARG A 39 5.002 -8.688 1.028 1.00 0.00 C ATOM 555 CD ARG A 39 5.497 -9.015 2.461 1.00 0.00 C ATOM 556 NE ARG A 39 4.861 -8.217 3.510 1.00 0.00 N ATOM 557 CZ ARG A 39 3.549 -8.259 3.822 1.00 0.00 C ATOM 558 NH1 ARG A 39 2.680 -9.003 3.145 1.00 0.00 N ATOM 559 NH2 ARG A 39 3.115 -7.517 4.826 1.00 0.00 N ATOM 0 H ARG A 39 6.661 -7.179 -1.278 1.00 0.00 H new ATOM 0 HA ARG A 39 3.669 -7.403 -0.951 1.00 0.00 H new ATOM 0 HB2 ARG A 39 5.981 -6.772 0.904 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.290 -6.680 1.356 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.993 -9.082 0.904 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.637 -9.205 0.308 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.318 -10.071 2.664 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.575 -8.861 2.505 1.00 0.00 H new ATOM 0 HE ARG A 39 5.453 -7.582 4.045 1.00 0.00 H new ATOM 0 HH11 ARG A 39 2.998 -9.569 2.358 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.696 -9.008 3.412 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.768 -6.930 5.346 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.128 -7.531 5.081 1.00 0.00 H new ATOM 573 N TRP A 40 3.214 -4.930 -1.234 1.00 0.00 N ATOM 574 CA TRP A 40 2.918 -3.546 -1.585 1.00 0.00 C ATOM 575 C TRP A 40 2.083 -2.878 -0.473 1.00 0.00 C ATOM 576 O TRP A 40 1.477 -3.545 0.355 1.00 0.00 O ATOM 577 CB TRP A 40 2.161 -3.505 -2.931 1.00 0.00 C ATOM 578 CG TRP A 40 0.803 -4.191 -2.850 1.00 0.00 C ATOM 579 CD1 TRP A 40 0.564 -5.560 -3.017 1.00 0.00 C ATOM 580 CD2 TRP A 40 -0.491 -3.588 -2.608 1.00 0.00 C ATOM 581 NE1 TRP A 40 -0.762 -5.806 -2.905 1.00 0.00 N ATOM 582 CE2 TRP A 40 -1.444 -4.630 -2.650 1.00 0.00 C ATOM 583 CE3 TRP A 40 -0.904 -2.307 -2.357 1.00 0.00 C ATOM 584 CZ2 TRP A 40 -2.769 -4.369 -2.446 1.00 0.00 C ATOM 585 CZ3 TRP A 40 -2.261 -2.030 -2.141 1.00 0.00 C ATOM 586 CH2 TRP A 40 -3.194 -3.069 -2.186 1.00 0.00 C ATOM 0 H TRP A 40 2.385 -5.513 -1.120 1.00 0.00 H new ATOM 0 HA TRP A 40 3.852 -2.994 -1.687 1.00 0.00 H new ATOM 0 HB2 TRP A 40 2.024 -2.468 -3.237 1.00 0.00 H new ATOM 0 HB3 TRP A 40 2.764 -3.988 -3.700 1.00 0.00 H new ATOM 0 HD1 TRP A 40 1.322 -6.306 -3.206 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -1.195 -6.725 -2.995 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -0.180 -1.506 -2.325 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.489 -5.173 -2.486 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.584 -1.019 -1.941 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -4.241 -2.864 -2.020 1.00 0.00 H new ATOM 597 N CYS A 41 2.067 -1.533 -0.515 1.00 0.00 N ATOM 598 CA CYS A 41 1.268 -0.725 0.395 1.00 0.00 C ATOM 599 C CYS A 41 0.432 0.241 -0.462 1.00 0.00 C ATOM 600 O CYS A 41 0.882 0.689 -1.510 1.00 0.00 O ATOM 601 CB CYS A 41 2.194 0.060 1.326 1.00 0.00 C ATOM 602 SG CYS A 41 3.169 1.303 0.421 1.00 0.00 S ATOM 0 H CYS A 41 2.610 -0.986 -1.183 1.00 0.00 H new ATOM 0 HA CYS A 41 0.617 -1.350 1.007 1.00 0.00 H new ATOM 0 HB2 CYS A 41 1.601 0.554 2.096 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.867 -0.630 1.835 1.00 0.00 H new ATOM 607 N GLY A 42 -0.795 0.534 0.004 1.00 0.00 N ATOM 608 CA GLY A 42 -1.623 1.479 -0.741 1.00 0.00 C ATOM 609 C GLY A 42 -1.162 2.897 -0.406 1.00 0.00 C ATOM 610 O GLY A 42 -0.432 3.101 0.558 1.00 0.00 O ATOM 0 H GLY A 42 -1.214 0.149 0.851 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.537 1.296 -1.812 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.673 1.350 -0.479 1.00 0.00 H new ATOM 614 N THR A 43 -1.625 3.856 -1.233 1.00 0.00 N ATOM 615 CA THR A 43 -1.231 5.249 -1.004 1.00 0.00 C ATOM 616 C THR A 43 -2.429 6.185 -0.812 1.00 0.00 C ATOM 617 O THR A 43 -2.286 7.399 -0.872 1.00 0.00 O ATOM 618 CB THR A 43 -0.292 5.734 -2.127 1.00 0.00 C ATOM 619 OG1 THR A 43 -0.144 4.751 -3.128 1.00 0.00 O ATOM 620 CG2 THR A 43 1.109 6.002 -1.588 1.00 0.00 C ATOM 0 H THR A 43 -2.244 3.698 -2.029 1.00 0.00 H new ATOM 0 HA THR A 43 -0.683 5.280 -0.062 1.00 0.00 H new ATOM 0 HB THR A 43 -0.742 6.641 -2.531 1.00 0.00 H new ATOM 0 HG1 THR A 43 -1.028 4.457 -3.431 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.752 6.343 -2.399 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.061 6.770 -0.816 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.517 5.085 -1.163 1.00 0.00 H new ATOM 628 N THR A 44 -3.603 5.580 -0.568 1.00 0.00 N ATOM 629 CA THR A 44 -4.793 6.382 -0.332 1.00 0.00 C ATOM 630 C THR A 44 -5.629 5.635 0.704 1.00 0.00 C ATOM 631 O THR A 44 -5.406 4.461 0.978 1.00 0.00 O ATOM 632 CB THR A 44 -5.589 6.608 -1.634 1.00 0.00 C ATOM 633 OG1 THR A 44 -6.167 5.375 -2.036 1.00 0.00 O ATOM 634 CG2 THR A 44 -4.712 7.180 -2.760 1.00 0.00 C ATOM 0 H THR A 44 -3.743 4.570 -0.531 1.00 0.00 H new ATOM 0 HA THR A 44 -4.521 7.373 0.031 1.00 0.00 H new ATOM 0 HB THR A 44 -6.368 7.345 -1.437 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.916 5.548 -2.644 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.317 7.322 -3.656 1.00 0.00 H new ATOM 0 HG22 THR A 44 -4.297 8.138 -2.447 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.900 6.486 -2.977 1.00 0.00 H new ATOM 642 N GLU A 45 -6.607 6.384 1.248 1.00 0.00 N ATOM 643 CA GLU A 45 -7.525 5.807 2.215 1.00 0.00 C ATOM 644 C GLU A 45 -8.378 4.711 1.540 1.00 0.00 C ATOM 645 O GLU A 45 -8.689 3.688 2.135 1.00 0.00 O ATOM 646 CB GLU A 45 -8.382 6.942 2.802 1.00 0.00 C ATOM 647 CG GLU A 45 -9.371 6.438 3.855 1.00 0.00 C ATOM 648 CD GLU A 45 -10.146 7.613 4.466 1.00 0.00 C ATOM 649 OE1 GLU A 45 -9.639 8.224 5.406 1.00 0.00 O ATOM 650 OE2 GLU A 45 -11.242 7.906 3.992 1.00 0.00 O ATOM 0 H GLU A 45 -6.770 7.368 1.033 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.985 5.326 3.031 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.730 7.693 3.249 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.930 7.434 1.998 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.066 5.732 3.401 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.836 5.900 4.638 1.00 0.00 H new ATOM 657 N ASP A 46 -8.724 4.989 0.264 1.00 0.00 N ATOM 658 CA ASP A 46 -9.531 4.062 -0.539 1.00 0.00 C ATOM 659 C ASP A 46 -8.675 3.577 -1.721 1.00 0.00 C ATOM 660 O ASP A 46 -8.550 4.230 -2.751 1.00 0.00 O ATOM 661 CB ASP A 46 -10.848 4.729 -1.004 1.00 0.00 C ATOM 662 CG ASP A 46 -11.833 3.662 -1.487 1.00 0.00 C ATOM 663 OD1 ASP A 46 -11.535 2.954 -2.445 1.00 0.00 O ATOM 664 OD2 ASP A 46 -12.879 3.477 -0.868 1.00 0.00 O ATOM 0 H ASP A 46 -8.456 5.844 -0.224 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.825 3.202 0.062 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -11.287 5.296 -0.184 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.643 5.437 -1.807 1.00 0.00 H new ATOM 669 N TYR A 47 -8.061 2.399 -1.495 1.00 0.00 N ATOM 670 CA TYR A 47 -7.164 1.889 -2.535 1.00 0.00 C ATOM 671 C TYR A 47 -7.948 1.352 -3.735 1.00 0.00 C ATOM 672 O TYR A 47 -7.543 1.515 -4.881 1.00 0.00 O ATOM 673 CB TYR A 47 -6.263 0.777 -1.971 1.00 0.00 C ATOM 674 CG TYR A 47 -5.363 0.243 -3.049 1.00 0.00 C ATOM 675 CD1 TYR A 47 -4.199 0.911 -3.378 1.00 0.00 C ATOM 676 CD2 TYR A 47 -5.689 -0.911 -3.751 1.00 0.00 C ATOM 677 CE1 TYR A 47 -3.366 0.417 -4.362 1.00 0.00 C ATOM 678 CE2 TYR A 47 -4.844 -1.421 -4.722 1.00 0.00 C ATOM 679 CZ TYR A 47 -3.669 -0.753 -5.032 1.00 0.00 C ATOM 680 OH TYR A 47 -2.798 -1.225 -5.991 1.00 0.00 O ATOM 0 H TYR A 47 -8.161 1.821 -0.661 1.00 0.00 H new ATOM 0 HA TYR A 47 -6.546 2.722 -2.871 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -5.665 1.166 -1.147 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.876 -0.028 -1.567 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -3.940 1.824 -2.863 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -6.617 -1.419 -3.536 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.463 0.954 -4.612 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.099 -2.336 -5.236 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.969 -0.703 -5.966 1.00 0.00 H new ATOM 690 N ASP A 48 -9.073 0.682 -3.412 1.00 0.00 N ATOM 691 CA ASP A 48 -9.854 0.050 -4.470 1.00 0.00 C ATOM 692 C ASP A 48 -10.241 1.062 -5.566 1.00 0.00 C ATOM 693 O ASP A 48 -10.284 0.763 -6.754 1.00 0.00 O ATOM 694 CB ASP A 48 -11.135 -0.588 -3.899 1.00 0.00 C ATOM 695 CG ASP A 48 -10.818 -1.713 -2.901 1.00 0.00 C ATOM 696 OD1 ASP A 48 -10.389 -2.778 -3.327 1.00 0.00 O ATOM 697 OD2 ASP A 48 -11.000 -1.521 -1.700 1.00 0.00 O ATOM 0 H ASP A 48 -9.441 0.572 -2.467 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.227 -0.725 -4.911 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.733 0.178 -3.405 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -11.738 -0.986 -4.715 1.00 0.00 H new ATOM 702 N ARG A 49 -10.524 2.285 -5.092 1.00 0.00 N ATOM 703 CA ARG A 49 -10.862 3.380 -5.983 1.00 0.00 C ATOM 704 C ARG A 49 -9.638 3.844 -6.822 1.00 0.00 C ATOM 705 O ARG A 49 -9.709 3.849 -8.048 1.00 0.00 O ATOM 706 CB ARG A 49 -11.485 4.494 -5.123 1.00 0.00 C ATOM 707 CG ARG A 49 -11.800 5.807 -5.858 1.00 0.00 C ATOM 708 CD ARG A 49 -10.754 6.906 -5.575 1.00 0.00 C ATOM 709 NE ARG A 49 -11.397 8.060 -4.954 1.00 0.00 N ATOM 710 CZ ARG A 49 -10.713 9.017 -4.281 1.00 0.00 C ATOM 711 NH1 ARG A 49 -9.392 8.957 -4.146 1.00 0.00 N ATOM 712 NH2 ARG A 49 -11.383 10.033 -3.745 1.00 0.00 N ATOM 0 H ARG A 49 -10.523 2.529 -4.102 1.00 0.00 H new ATOM 0 HA ARG A 49 -11.589 3.063 -6.731 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -12.408 4.115 -4.683 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -10.806 4.714 -4.299 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.843 5.618 -6.931 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.786 6.161 -5.557 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.975 6.517 -4.920 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.269 7.206 -6.504 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.410 8.150 -5.030 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.873 8.179 -4.553 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.898 9.689 -3.635 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -12.397 10.084 -3.843 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -10.883 10.761 -3.235 1.00 0.00 H new ATOM 726 N ASP A 50 -8.560 4.239 -6.115 1.00 0.00 N ATOM 727 CA ASP A 50 -7.373 4.848 -6.743 1.00 0.00 C ATOM 728 C ASP A 50 -6.410 3.926 -7.546 1.00 0.00 C ATOM 729 O ASP A 50 -5.957 4.299 -8.621 1.00 0.00 O ATOM 730 CB ASP A 50 -6.567 5.569 -5.650 1.00 0.00 C ATOM 731 CG ASP A 50 -7.375 6.738 -5.070 1.00 0.00 C ATOM 732 OD1 ASP A 50 -7.702 7.661 -5.810 1.00 0.00 O ATOM 733 OD2 ASP A 50 -7.695 6.745 -3.885 1.00 0.00 O ATOM 0 H ASP A 50 -8.489 4.146 -5.102 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.788 5.507 -7.506 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -6.310 4.867 -4.856 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.629 5.938 -6.065 1.00 0.00 H new ATOM 738 N LYS A 51 -6.053 2.762 -6.968 1.00 0.00 N ATOM 739 CA LYS A 51 -5.091 1.819 -7.560 1.00 0.00 C ATOM 740 C LYS A 51 -3.659 2.364 -7.706 1.00 0.00 C ATOM 741 O LYS A 51 -2.949 2.011 -8.643 1.00 0.00 O ATOM 742 CB LYS A 51 -5.499 1.236 -8.930 1.00 0.00 C ATOM 743 CG LYS A 51 -6.849 0.496 -8.915 1.00 0.00 C ATOM 744 CD LYS A 51 -8.055 1.426 -8.790 1.00 0.00 C ATOM 745 CE LYS A 51 -9.308 0.883 -9.482 1.00 0.00 C ATOM 746 NZ LYS A 51 -10.472 1.684 -9.129 1.00 0.00 N ATOM 0 H LYS A 51 -6.428 2.450 -6.072 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.107 1.025 -6.814 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.547 2.045 -9.659 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.723 0.549 -9.267 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.944 -0.088 -9.831 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -6.858 -0.210 -8.085 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.272 1.589 -7.734 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.803 2.397 -9.217 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -9.167 0.892 -10.563 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.471 -0.155 -9.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -11.175 1.631 -9.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.890 1.320 -8.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.184 2.674 -8.992 1.00 0.00 H new ATOM 760 N LYS A 52 -3.240 3.197 -6.738 1.00 0.00 N ATOM 761 CA LYS A 52 -1.854 3.657 -6.763 1.00 0.00 C ATOM 762 C LYS A 52 -1.213 3.166 -5.458 1.00 0.00 C ATOM 763 O LYS A 52 -1.837 3.236 -4.400 1.00 0.00 O ATOM 764 CB LYS A 52 -1.762 5.185 -6.931 1.00 0.00 C ATOM 765 CG LYS A 52 -2.429 5.791 -8.197 1.00 0.00 C ATOM 766 CD LYS A 52 -2.024 5.215 -9.570 1.00 0.00 C ATOM 767 CE LYS A 52 -0.509 5.162 -9.766 1.00 0.00 C ATOM 768 NZ LYS A 52 0.131 6.471 -9.784 1.00 0.00 N ATOM 0 H LYS A 52 -3.811 3.547 -5.969 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.320 3.252 -7.622 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.211 5.651 -6.054 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.708 5.464 -6.936 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.508 5.680 -8.093 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.218 6.860 -8.207 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.435 4.211 -9.673 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.467 5.823 -10.359 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.070 4.565 -8.967 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.292 4.649 -10.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.163 6.352 -9.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.197 7.007 -10.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.115 6.990 -8.917 1.00 0.00 H new ATOM 782 N TYR A 53 0.012 2.613 -5.602 1.00 0.00 N ATOM 783 CA TYR A 53 0.699 1.961 -4.492 1.00 0.00 C ATOM 784 C TYR A 53 2.215 2.234 -4.499 1.00 0.00 C ATOM 785 O TYR A 53 2.798 2.827 -5.404 1.00 0.00 O ATOM 786 CB TYR A 53 0.453 0.431 -4.597 1.00 0.00 C ATOM 787 CG TYR A 53 1.083 -0.216 -5.806 1.00 0.00 C ATOM 788 CD1 TYR A 53 0.389 -0.305 -7.006 1.00 0.00 C ATOM 789 CD2 TYR A 53 2.361 -0.757 -5.736 1.00 0.00 C ATOM 790 CE1 TYR A 53 0.946 -0.942 -8.107 1.00 0.00 C ATOM 791 CE2 TYR A 53 2.925 -1.390 -6.831 1.00 0.00 C ATOM 792 CZ TYR A 53 2.218 -1.494 -8.017 1.00 0.00 C ATOM 793 OH TYR A 53 2.787 -2.170 -9.082 1.00 0.00 O ATOM 0 H TYR A 53 0.534 2.611 -6.478 1.00 0.00 H new ATOM 0 HA TYR A 53 0.302 2.365 -3.561 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.840 -0.050 -3.699 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.621 0.248 -4.619 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.598 0.127 -7.084 1.00 0.00 H new ATOM 0 HD2 TYR A 53 2.922 -0.683 -4.816 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.392 -1.008 -9.031 1.00 0.00 H new ATOM 0 HE2 TYR A 53 3.920 -1.804 -6.760 1.00 0.00 H new ATOM 0 HH TYR A 53 3.762 -2.084 -9.041 1.00 0.00 H new ATOM 803 N GLY A 54 2.792 1.674 -3.421 1.00 0.00 N ATOM 804 CA GLY A 54 4.229 1.641 -3.161 1.00 0.00 C ATOM 805 C GLY A 54 4.653 0.202 -2.792 1.00 0.00 C ATOM 806 O GLY A 54 3.796 -0.661 -2.633 1.00 0.00 O ATOM 0 H GLY A 54 2.248 1.220 -2.688 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.776 1.978 -4.041 1.00 0.00 H new ATOM 0 HA3 GLY A 54 4.478 2.324 -2.349 1.00 0.00 H new ATOM 810 N PHE A 55 5.985 -0.035 -2.669 1.00 0.00 N ATOM 811 CA PHE A 55 6.476 -1.380 -2.323 1.00 0.00 C ATOM 812 C PHE A 55 6.848 -1.324 -0.847 1.00 0.00 C ATOM 813 O PHE A 55 7.131 -0.254 -0.335 1.00 0.00 O ATOM 814 CB PHE A 55 7.718 -1.833 -3.114 1.00 0.00 C ATOM 815 CG PHE A 55 7.410 -2.137 -4.553 1.00 0.00 C ATOM 816 CD1 PHE A 55 6.946 -1.142 -5.393 1.00 0.00 C ATOM 817 CD2 PHE A 55 7.599 -3.411 -5.071 1.00 0.00 C ATOM 818 CE1 PHE A 55 6.685 -1.392 -6.729 1.00 0.00 C ATOM 819 CE2 PHE A 55 7.326 -3.675 -6.406 1.00 0.00 C ATOM 820 CZ PHE A 55 6.871 -2.666 -7.242 1.00 0.00 C ATOM 0 H PHE A 55 6.712 0.668 -2.801 1.00 0.00 H new ATOM 0 HA PHE A 55 5.692 -2.097 -2.564 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.478 -1.053 -3.066 1.00 0.00 H new ATOM 0 HB3 PHE A 55 8.141 -2.720 -2.642 1.00 0.00 H new ATOM 0 HD1 PHE A 55 6.784 -0.150 -4.999 1.00 0.00 H new ATOM 0 HD2 PHE A 55 7.961 -4.202 -4.431 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.337 -0.596 -7.371 1.00 0.00 H new ATOM 0 HE2 PHE A 55 7.469 -4.672 -6.796 1.00 0.00 H new ATOM 0 HZ PHE A 55 6.664 -2.871 -8.282 1.00 0.00 H new ATOM 830 N CYS A 56 6.777 -2.510 -0.206 1.00 0.00 N ATOM 831 CA CYS A 56 6.994 -2.578 1.273 1.00 0.00 C ATOM 832 C CYS A 56 8.352 -1.958 1.663 1.00 0.00 C ATOM 833 O CYS A 56 9.391 -2.499 1.302 1.00 0.00 O ATOM 834 CB CYS A 56 7.047 -4.050 1.781 1.00 0.00 C ATOM 835 SG CYS A 56 6.649 -4.112 3.551 1.00 0.00 S ATOM 0 H CYS A 56 6.580 -3.404 -0.657 1.00 0.00 H new ATOM 0 HA CYS A 56 6.158 -2.038 1.718 1.00 0.00 H new ATOM 0 HB2 CYS A 56 6.341 -4.662 1.220 1.00 0.00 H new ATOM 0 HB3 CYS A 56 8.039 -4.467 1.608 1.00 0.00 H new ATOM 840 N PRO A 57 8.334 -0.820 2.415 1.00 0.00 N ATOM 841 CA PRO A 57 9.578 -0.305 2.995 1.00 0.00 C ATOM 842 C PRO A 57 9.979 -1.122 4.247 1.00 0.00 C ATOM 843 O PRO A 57 10.216 -2.319 4.159 1.00 0.00 O ATOM 844 CB PRO A 57 9.324 1.211 3.132 1.00 0.00 C ATOM 845 CG PRO A 57 7.991 1.416 2.414 1.00 0.00 C ATOM 846 CD PRO A 57 7.209 0.119 2.567 1.00 0.00 C ATOM 0 HA PRO A 57 10.479 -0.428 2.395 1.00 0.00 H new ATOM 0 HB2 PRO A 57 9.268 1.516 4.177 1.00 0.00 H new ATOM 0 HB3 PRO A 57 10.121 1.795 2.672 1.00 0.00 H new ATOM 0 HG2 PRO A 57 7.442 2.252 2.847 1.00 0.00 H new ATOM 0 HG3 PRO A 57 8.150 1.650 1.361 1.00 0.00 H new ATOM 0 HD2 PRO A 57 6.712 0.034 3.533 1.00 0.00 H new ATOM 0 HD3 PRO A 57 6.443 -0.008 1.802 1.00 0.00 H new ATOM 854 N GLU A 58 10.044 -0.444 5.407 1.00 0.00 N ATOM 855 CA GLU A 58 10.385 -1.144 6.649 1.00 0.00 C ATOM 856 C GLU A 58 9.387 -2.292 6.886 1.00 0.00 C ATOM 857 O GLU A 58 8.197 -2.162 6.625 1.00 0.00 O ATOM 858 CB GLU A 58 10.432 -0.188 7.865 1.00 0.00 C ATOM 859 CG GLU A 58 10.976 -0.837 9.152 1.00 0.00 C ATOM 860 CD GLU A 58 12.319 -1.546 8.921 1.00 0.00 C ATOM 861 OE1 GLU A 58 13.334 -0.864 8.812 1.00 0.00 O ATOM 862 OE2 GLU A 58 12.326 -2.775 8.835 1.00 0.00 O ATOM 0 H GLU A 58 9.870 0.556 5.507 1.00 0.00 H new ATOM 0 HA GLU A 58 11.388 -1.556 6.540 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.052 0.672 7.614 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.427 0.189 8.057 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.098 -0.072 9.919 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.248 -1.555 9.531 1.00 0.00 H new ATOM 869 N THR A 59 9.976 -3.408 7.355 1.00 0.00 N ATOM 870 CA THR A 59 9.283 -4.663 7.610 1.00 0.00 C ATOM 871 C THR A 59 7.862 -4.464 8.192 1.00 0.00 C ATOM 872 O THR A 59 7.665 -4.009 9.312 1.00 0.00 O ATOM 873 CB THR A 59 10.173 -5.545 8.511 1.00 0.00 C ATOM 874 OG1 THR A 59 10.629 -4.868 9.665 1.00 0.00 O ATOM 875 CG2 THR A 59 11.379 -6.118 7.750 1.00 0.00 C ATOM 0 H THR A 59 10.972 -3.452 7.569 1.00 0.00 H new ATOM 0 HA THR A 59 9.120 -5.171 6.659 1.00 0.00 H new ATOM 0 HB THR A 59 9.530 -6.366 8.829 1.00 0.00 H new ATOM 0 HG1 THR A 59 11.261 -4.166 9.404 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.976 -6.732 8.424 1.00 0.00 H new ATOM 0 HG22 THR A 59 11.028 -6.729 6.918 1.00 0.00 H new ATOM 0 HG23 THR A 59 11.989 -5.300 7.367 1.00 0.00 H new ATOM 883 N ALA A 60 6.900 -4.844 7.333 1.00 0.00 N ATOM 884 CA ALA A 60 5.490 -4.747 7.650 1.00 0.00 C ATOM 885 C ALA A 60 4.729 -5.690 6.704 1.00 0.00 C ATOM 886 O ALA A 60 5.354 -6.434 5.941 1.00 0.00 O ATOM 887 CB ALA A 60 5.019 -3.295 7.475 1.00 0.00 C ATOM 888 OXT ALA A 60 3.504 -5.678 6.720 1.00 0.00 O ATOM 0 H ALA A 60 7.091 -5.224 6.406 1.00 0.00 H new ATOM 0 HA ALA A 60 5.303 -5.036 8.684 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.958 -3.225 7.714 1.00 0.00 H new ATOM 0 HB2 ALA A 60 5.585 -2.646 8.143 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.180 -2.982 6.443 1.00 0.00 H new TER 894 ALA A 60