USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 722 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.425 K(o=0.42,f=-0.29) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -37:sc= 0.116 USER MOD Single : A 23 THR OG1 : rot -130:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.29 K(o=-0.29,f=-1.2!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -170:sc= -0.0797 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -1.54 K(o=-1.5,f=-4.4!) USER MOD Single : A 43 SER OG : rot 64:sc= 0.175 USER MOD Single : A 54 GLN : amide:sc= -0.0704 X(o=-0.07,f=-0.07) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 83:sc= 0.34 USER MOD Single : A 69 SER OG : rot 47:sc= 0.77 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.428 X(o=-0.43,f=-0.029) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.108 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.211 22.730 -0.285 1.00 0.00 N ATOM 2 CA MET A 1 6.060 21.393 -0.884 1.00 0.00 C ATOM 3 C MET A 1 6.870 20.357 -0.103 1.00 0.00 C ATOM 4 O MET A 1 8.094 20.462 -0.051 1.00 0.00 O ATOM 5 CB MET A 1 6.477 21.419 -2.363 1.00 0.00 C ATOM 6 CG MET A 1 6.111 20.116 -3.090 1.00 0.00 C ATOM 7 SD MET A 1 7.510 19.262 -3.866 1.00 0.00 S ATOM 8 CE MET A 1 6.979 19.295 -5.599 1.00 0.00 C ATOM 0 H1 MET A 1 5.654 23.419 -0.829 1.00 0.00 H new ATOM 0 H2 MET A 1 5.872 22.710 0.698 1.00 0.00 H new ATOM 0 H3 MET A 1 7.214 23.006 -0.300 1.00 0.00 H new ATOM 0 HA MET A 1 5.010 21.105 -0.832 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.993 22.259 -2.861 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.552 21.583 -2.433 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.639 19.439 -2.378 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.369 20.340 -3.857 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.731 18.807 -6.219 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.029 18.769 -5.699 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.857 20.329 -5.923 1.00 0.00 H new ATOM 20 N SER A 2 6.190 19.380 0.517 1.00 0.00 N ATOM 21 CA SER A 2 6.811 18.373 1.377 1.00 0.00 C ATOM 22 C SER A 2 6.171 16.992 1.167 1.00 0.00 C ATOM 23 O SER A 2 6.876 16.012 0.934 1.00 0.00 O ATOM 24 CB SER A 2 6.715 18.840 2.837 1.00 0.00 C ATOM 25 OG SER A 2 7.555 18.065 3.666 1.00 0.00 O ATOM 0 H SER A 2 5.180 19.270 0.431 1.00 0.00 H new ATOM 0 HA SER A 2 7.863 18.264 1.114 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.996 19.891 2.907 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.684 18.762 3.182 1.00 0.00 H new ATOM 0 HG SER A 2 7.481 18.379 4.591 1.00 0.00 H new ATOM 31 N LYS A 3 4.836 16.914 1.266 1.00 0.00 N ATOM 32 CA LYS A 3 4.044 15.689 1.130 1.00 0.00 C ATOM 33 C LYS A 3 4.099 15.120 -0.294 1.00 0.00 C ATOM 34 O LYS A 3 3.834 15.840 -1.256 1.00 0.00 O ATOM 35 CB LYS A 3 2.577 15.996 1.480 1.00 0.00 C ATOM 36 CG LYS A 3 2.134 15.560 2.881 1.00 0.00 C ATOM 37 CD LYS A 3 2.955 16.170 4.022 1.00 0.00 C ATOM 38 CE LYS A 3 2.244 15.886 5.354 1.00 0.00 C ATOM 39 NZ LYS A 3 2.960 16.472 6.500 1.00 0.00 N ATOM 0 H LYS A 3 4.259 17.735 1.450 1.00 0.00 H new ATOM 0 HA LYS A 3 4.465 14.947 1.809 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.414 17.069 1.383 1.00 0.00 H new ATOM 0 HB3 LYS A 3 1.936 15.509 0.746 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.087 15.830 3.018 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.194 14.474 2.946 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.959 15.746 4.033 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.065 17.244 3.875 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.231 16.287 5.316 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.155 14.809 5.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.446 16.256 7.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.918 16.071 6.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.022 17.503 6.380 1.00 0.00 H new ATOM 53 N VAL A 4 4.406 13.818 -0.407 1.00 0.00 N ATOM 54 CA VAL A 4 4.615 13.110 -1.665 1.00 0.00 C ATOM 55 C VAL A 4 3.875 11.780 -1.598 1.00 0.00 C ATOM 56 O VAL A 4 4.429 10.770 -1.166 1.00 0.00 O ATOM 57 CB VAL A 4 6.128 12.950 -1.958 1.00 0.00 C ATOM 58 CG1 VAL A 4 6.985 12.514 -0.765 1.00 0.00 C ATOM 59 CG2 VAL A 4 6.381 12.013 -3.151 1.00 0.00 C ATOM 0 H VAL A 4 4.518 13.215 0.408 1.00 0.00 H new ATOM 0 HA VAL A 4 4.210 13.682 -2.500 1.00 0.00 H new ATOM 0 HB VAL A 4 6.451 13.962 -2.204 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.026 12.432 -1.076 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.902 13.253 0.032 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.637 11.547 -0.401 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.454 11.927 -3.325 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.968 11.028 -2.934 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.901 12.419 -4.041 1.00 0.00 H new ATOM 69 N CYS A 5 2.609 11.781 -2.012 1.00 0.00 N ATOM 70 CA CYS A 5 1.834 10.548 -2.051 1.00 0.00 C ATOM 71 C CYS A 5 2.178 9.736 -3.303 1.00 0.00 C ATOM 72 O CYS A 5 2.631 10.290 -4.303 1.00 0.00 O ATOM 73 CB CYS A 5 0.324 10.804 -1.925 1.00 0.00 C ATOM 74 SG CYS A 5 -0.219 12.137 -0.815 1.00 0.00 S ATOM 0 H CYS A 5 2.105 12.612 -2.321 1.00 0.00 H new ATOM 0 HA CYS A 5 2.112 9.955 -1.180 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -0.064 11.018 -2.921 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -0.146 9.879 -1.592 1.00 0.00 H new ATOM 79 N ILE A 6 1.994 8.413 -3.235 1.00 0.00 N ATOM 80 CA ILE A 6 2.273 7.511 -4.356 1.00 0.00 C ATOM 81 C ILE A 6 1.175 6.444 -4.444 1.00 0.00 C ATOM 82 O ILE A 6 0.468 6.206 -3.465 1.00 0.00 O ATOM 83 CB ILE A 6 3.692 6.896 -4.249 1.00 0.00 C ATOM 84 CG1 ILE A 6 4.156 6.601 -2.820 1.00 0.00 C ATOM 85 CG2 ILE A 6 4.763 7.791 -4.890 1.00 0.00 C ATOM 86 CD1 ILE A 6 3.212 5.611 -2.156 1.00 0.00 C ATOM 0 H ILE A 6 1.648 7.938 -2.401 1.00 0.00 H new ATOM 0 HA ILE A 6 2.262 8.082 -5.285 1.00 0.00 H new ATOM 0 HB ILE A 6 3.590 5.952 -4.785 1.00 0.00 H new ATOM 0 HG12 ILE A 6 5.168 6.196 -2.835 1.00 0.00 H new ATOM 0 HG13 ILE A 6 4.191 7.525 -2.243 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.740 7.318 -4.790 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.535 7.932 -5.946 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.776 8.759 -4.389 1.00 0.00 H new ATOM 0 HD11 ILE A 6 3.552 5.409 -1.140 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.207 6.031 -2.125 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.199 4.682 -2.726 1.00 0.00 H new ATOM 98 N ILE A 7 1.023 5.816 -5.616 1.00 0.00 N ATOM 99 CA ILE A 7 0.067 4.735 -5.858 1.00 0.00 C ATOM 100 C ILE A 7 0.798 3.484 -6.359 1.00 0.00 C ATOM 101 O ILE A 7 1.481 3.540 -7.380 1.00 0.00 O ATOM 102 CB ILE A 7 -1.071 5.201 -6.789 1.00 0.00 C ATOM 103 CG1 ILE A 7 -2.049 4.040 -7.049 1.00 0.00 C ATOM 104 CG2 ILE A 7 -0.593 5.798 -8.121 1.00 0.00 C ATOM 105 CD1 ILE A 7 -3.475 4.538 -7.297 1.00 0.00 C ATOM 0 H ILE A 7 1.575 6.053 -6.440 1.00 0.00 H new ATOM 0 HA ILE A 7 -0.414 4.459 -4.920 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.574 6.012 -6.263 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.710 3.466 -7.912 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.044 3.363 -6.194 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.456 6.100 -8.715 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.035 6.667 -7.926 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.019 5.051 -8.669 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.132 3.687 -7.476 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.825 5.089 -6.424 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.485 5.193 -8.168 1.00 0.00 H new ATOM 117 N ALA A 8 0.664 2.370 -5.624 1.00 0.00 N ATOM 118 CA ALA A 8 1.334 1.100 -5.873 1.00 0.00 C ATOM 119 C ALA A 8 0.331 -0.012 -6.209 1.00 0.00 C ATOM 120 O ALA A 8 -0.467 -0.397 -5.359 1.00 0.00 O ATOM 121 CB ALA A 8 2.184 0.718 -4.658 1.00 0.00 C ATOM 0 H ALA A 8 0.057 2.336 -4.805 1.00 0.00 H new ATOM 0 HA ALA A 8 1.983 1.219 -6.740 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.684 -0.232 -4.848 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.931 1.491 -4.479 1.00 0.00 H new ATOM 0 HB3 ALA A 8 1.543 0.622 -3.781 1.00 0.00 H new ATOM 127 N TRP A 9 0.397 -0.547 -7.433 1.00 0.00 N ATOM 128 CA TRP A 9 -0.434 -1.637 -7.932 1.00 0.00 C ATOM 129 C TRP A 9 0.259 -2.983 -7.738 1.00 0.00 C ATOM 130 O TRP A 9 1.335 -3.189 -8.296 1.00 0.00 O ATOM 131 CB TRP A 9 -0.686 -1.419 -9.426 1.00 0.00 C ATOM 132 CG TRP A 9 -1.631 -0.306 -9.734 1.00 0.00 C ATOM 133 CD1 TRP A 9 -2.971 -0.396 -9.630 1.00 0.00 C ATOM 134 CD2 TRP A 9 -1.358 1.053 -10.186 1.00 0.00 C ATOM 135 NE1 TRP A 9 -3.552 0.811 -9.939 1.00 0.00 N ATOM 136 CE2 TRP A 9 -2.601 1.746 -10.290 1.00 0.00 C ATOM 137 CE3 TRP A 9 -0.192 1.766 -10.537 1.00 0.00 C ATOM 138 CZ2 TRP A 9 -2.683 3.087 -10.693 1.00 0.00 C ATOM 139 CZ3 TRP A 9 -0.273 3.094 -10.993 1.00 0.00 C ATOM 140 CH2 TRP A 9 -1.508 3.763 -11.051 1.00 0.00 C ATOM 0 H TRP A 9 1.062 -0.214 -8.130 1.00 0.00 H new ATOM 0 HA TRP A 9 -1.373 -1.646 -7.378 1.00 0.00 H new ATOM 0 HB2 TRP A 9 0.266 -1.218 -9.917 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -1.078 -2.341 -9.855 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -3.511 -1.287 -9.345 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -4.556 0.991 -9.912 1.00 0.00 H new ATOM 0 HE3 TRP A 9 0.772 1.287 -10.455 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -3.637 3.591 -10.727 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 0.626 3.607 -11.303 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -1.552 4.794 -11.370 1.00 0.00 H new ATOM 151 N VAL A 10 -0.366 -3.900 -6.986 1.00 0.00 N ATOM 152 CA VAL A 10 0.161 -5.232 -6.695 1.00 0.00 C ATOM 153 C VAL A 10 -0.674 -6.274 -7.451 1.00 0.00 C ATOM 154 O VAL A 10 -1.886 -6.329 -7.263 1.00 0.00 O ATOM 155 CB VAL A 10 0.117 -5.507 -5.178 1.00 0.00 C ATOM 156 CG1 VAL A 10 1.008 -6.709 -4.833 1.00 0.00 C ATOM 157 CG2 VAL A 10 0.580 -4.319 -4.322 1.00 0.00 C ATOM 0 H VAL A 10 -1.274 -3.727 -6.555 1.00 0.00 H new ATOM 0 HA VAL A 10 1.200 -5.292 -7.020 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.930 -5.701 -4.946 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.969 -6.894 -3.760 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.652 -7.591 -5.366 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.036 -6.497 -5.128 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.522 -4.586 -3.267 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.609 -4.067 -4.576 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.062 -3.460 -4.515 1.00 0.00 H new ATOM 167 N TYR A 11 -0.039 -7.107 -8.285 1.00 0.00 N ATOM 168 CA TYR A 11 -0.700 -8.150 -9.069 1.00 0.00 C ATOM 169 C TYR A 11 -0.511 -9.520 -8.420 1.00 0.00 C ATOM 170 O TYR A 11 0.158 -9.650 -7.394 1.00 0.00 O ATOM 171 CB TYR A 11 -0.143 -8.173 -10.498 1.00 0.00 C ATOM 172 CG TYR A 11 -0.463 -6.963 -11.359 1.00 0.00 C ATOM 173 CD1 TYR A 11 0.157 -5.720 -11.122 1.00 0.00 C ATOM 174 CD2 TYR A 11 -1.279 -7.126 -12.496 1.00 0.00 C ATOM 175 CE1 TYR A 11 -0.023 -4.658 -12.024 1.00 0.00 C ATOM 176 CE2 TYR A 11 -1.451 -6.066 -13.401 1.00 0.00 C ATOM 177 CZ TYR A 11 -0.819 -4.835 -13.170 1.00 0.00 C ATOM 178 OH TYR A 11 -0.976 -3.814 -14.062 1.00 0.00 O ATOM 0 H TYR A 11 0.969 -7.071 -8.434 1.00 0.00 H new ATOM 0 HA TYR A 11 -1.766 -7.924 -9.102 1.00 0.00 H new ATOM 0 HB2 TYR A 11 0.941 -8.278 -10.442 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -0.524 -9.062 -11.001 1.00 0.00 H new ATOM 0 HD1 TYR A 11 0.772 -5.583 -10.245 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -1.774 -8.070 -12.672 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.450 -3.705 -11.837 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -2.070 -6.199 -14.276 1.00 0.00 H new ATOM 0 HH TYR A 11 -1.556 -4.107 -14.796 1.00 0.00 H new ATOM 188 N GLY A 12 -1.102 -10.548 -9.040 1.00 0.00 N ATOM 189 CA GLY A 12 -1.071 -11.903 -8.535 1.00 0.00 C ATOM 190 C GLY A 12 -2.063 -12.062 -7.395 1.00 0.00 C ATOM 191 O GLY A 12 -3.010 -11.285 -7.267 1.00 0.00 O ATOM 0 H GLY A 12 -1.618 -10.449 -9.915 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.311 -12.603 -9.336 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.067 -12.147 -8.189 1.00 0.00 H new ATOM 195 N ARG A 13 -1.862 -13.097 -6.580 1.00 0.00 N ATOM 196 CA ARG A 13 -2.826 -13.471 -5.559 1.00 0.00 C ATOM 197 C ARG A 13 -2.588 -12.654 -4.306 1.00 0.00 C ATOM 198 O ARG A 13 -1.722 -13.008 -3.517 1.00 0.00 O ATOM 199 CB ARG A 13 -2.744 -14.961 -5.232 1.00 0.00 C ATOM 200 CG ARG A 13 -2.852 -15.798 -6.508 1.00 0.00 C ATOM 201 CD ARG A 13 -3.830 -16.958 -6.366 1.00 0.00 C ATOM 202 NE ARG A 13 -3.976 -17.600 -7.674 1.00 0.00 N ATOM 203 CZ ARG A 13 -4.600 -18.760 -7.924 1.00 0.00 C ATOM 204 NH1 ARG A 13 -5.120 -19.490 -6.928 1.00 0.00 N ATOM 205 NH2 ARG A 13 -4.695 -19.180 -9.192 1.00 0.00 N ATOM 0 H ARG A 13 -1.034 -13.691 -6.612 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.824 -13.267 -5.946 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.802 -15.177 -4.727 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.544 -15.233 -4.543 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.169 -15.159 -7.332 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -1.867 -16.187 -6.767 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -3.465 -17.674 -5.630 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.795 -16.599 -6.009 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.563 -17.118 -8.472 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.044 -19.165 -5.964 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.592 -20.371 -7.134 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.297 -18.620 -9.946 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.166 -20.060 -9.404 1.00 0.00 H new ATOM 219 N VAL A 14 -3.335 -11.560 -4.153 1.00 0.00 N ATOM 220 CA VAL A 14 -3.170 -10.629 -3.043 1.00 0.00 C ATOM 221 C VAL A 14 -4.523 -10.383 -2.364 1.00 0.00 C ATOM 222 O VAL A 14 -4.618 -10.427 -1.138 1.00 0.00 O ATOM 223 CB VAL A 14 -2.515 -9.332 -3.548 1.00 0.00 C ATOM 224 CG1 VAL A 14 -2.109 -8.447 -2.361 1.00 0.00 C ATOM 225 CG2 VAL A 14 -1.242 -9.624 -4.354 1.00 0.00 C ATOM 0 H VAL A 14 -4.076 -11.296 -4.802 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.507 -11.054 -2.290 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.248 -8.831 -4.180 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.646 -7.532 -2.731 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.993 -8.196 -1.775 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.399 -8.984 -1.733 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.805 -8.686 -4.696 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.525 -10.150 -3.724 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.491 -10.243 -5.216 1.00 0.00 H new ATOM 235 N GLN A 15 -5.569 -10.125 -3.163 1.00 0.00 N ATOM 236 CA GLN A 15 -6.923 -9.901 -2.671 1.00 0.00 C ATOM 237 C GLN A 15 -7.515 -11.179 -2.074 1.00 0.00 C ATOM 238 O GLN A 15 -7.242 -12.279 -2.550 1.00 0.00 O ATOM 239 CB GLN A 15 -7.820 -9.324 -3.774 1.00 0.00 C ATOM 240 CG GLN A 15 -8.053 -10.216 -4.993 1.00 0.00 C ATOM 241 CD GLN A 15 -9.021 -9.527 -5.954 1.00 0.00 C ATOM 242 OE1 GLN A 15 -10.084 -10.062 -6.257 1.00 0.00 O ATOM 243 NE2 GLN A 15 -8.680 -8.320 -6.411 1.00 0.00 N ATOM 0 H GLN A 15 -5.491 -10.067 -4.178 1.00 0.00 H new ATOM 0 HA GLN A 15 -6.871 -9.164 -1.870 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -8.789 -9.083 -3.336 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.382 -8.386 -4.115 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -7.107 -10.417 -5.496 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -8.458 -11.178 -4.680 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -7.789 -7.905 -6.139 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -9.311 -7.813 -7.032 1.00 0.00 H new ATOM 252 N GLY A 16 -8.333 -11.016 -1.028 1.00 0.00 N ATOM 253 CA GLY A 16 -9.050 -12.104 -0.381 1.00 0.00 C ATOM 254 C GLY A 16 -8.141 -12.999 0.465 1.00 0.00 C ATOM 255 O GLY A 16 -8.467 -14.164 0.680 1.00 0.00 O ATOM 0 H GLY A 16 -8.514 -10.106 -0.605 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.834 -11.689 0.253 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.542 -12.710 -1.141 1.00 0.00 H new ATOM 259 N VAL A 17 -7.016 -12.454 0.947 1.00 0.00 N ATOM 260 CA VAL A 17 -6.052 -13.145 1.796 1.00 0.00 C ATOM 261 C VAL A 17 -5.942 -12.417 3.136 1.00 0.00 C ATOM 262 O VAL A 17 -5.989 -13.050 4.189 1.00 0.00 O ATOM 263 CB VAL A 17 -4.695 -13.224 1.075 1.00 0.00 C ATOM 264 CG1 VAL A 17 -3.606 -13.807 1.986 1.00 0.00 C ATOM 265 CG2 VAL A 17 -4.818 -14.096 -0.181 1.00 0.00 C ATOM 0 H VAL A 17 -6.749 -11.490 0.747 1.00 0.00 H new ATOM 0 HA VAL A 17 -6.384 -14.164 1.994 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.409 -12.209 0.800 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.661 -13.848 1.444 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.492 -13.175 2.867 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.890 -14.813 2.295 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.853 -14.146 -0.685 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.132 -15.100 0.103 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.557 -13.662 -0.855 1.00 0.00 H new ATOM 275 N GLY A 18 -5.782 -11.090 3.081 1.00 0.00 N ATOM 276 CA GLY A 18 -5.554 -10.224 4.222 1.00 0.00 C ATOM 277 C GLY A 18 -4.180 -9.564 4.154 1.00 0.00 C ATOM 278 O GLY A 18 -3.588 -9.261 5.188 1.00 0.00 O ATOM 0 H GLY A 18 -5.811 -10.578 2.199 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.327 -9.456 4.258 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -5.636 -10.803 5.142 1.00 0.00 H new ATOM 282 N PHE A 19 -3.674 -9.312 2.940 1.00 0.00 N ATOM 283 CA PHE A 19 -2.437 -8.572 2.746 1.00 0.00 C ATOM 284 C PHE A 19 -2.527 -7.210 3.448 1.00 0.00 C ATOM 285 O PHE A 19 -1.578 -6.773 4.092 1.00 0.00 O ATOM 286 CB PHE A 19 -2.161 -8.428 1.241 1.00 0.00 C ATOM 287 CG PHE A 19 -0.686 -8.458 0.892 1.00 0.00 C ATOM 288 CD1 PHE A 19 -0.013 -9.693 0.831 1.00 0.00 C ATOM 289 CD2 PHE A 19 0.015 -7.270 0.622 1.00 0.00 C ATOM 290 CE1 PHE A 19 1.350 -9.738 0.494 1.00 0.00 C ATOM 291 CE2 PHE A 19 1.385 -7.312 0.309 1.00 0.00 C ATOM 292 CZ PHE A 19 2.050 -8.548 0.230 1.00 0.00 C ATOM 0 H PHE A 19 -4.115 -9.617 2.072 1.00 0.00 H new ATOM 0 HA PHE A 19 -1.602 -9.113 3.191 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.669 -9.232 0.708 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.591 -7.490 0.889 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.546 -10.608 1.044 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.501 -6.322 0.655 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.861 -10.688 0.438 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.926 -6.395 0.129 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.097 -8.583 -0.033 1.00 0.00 H new ATOM 302 N ARG A 20 -3.699 -6.566 3.354 1.00 0.00 N ATOM 303 CA ARG A 20 -3.967 -5.242 3.905 1.00 0.00 C ATOM 304 C ARG A 20 -4.486 -5.304 5.343 1.00 0.00 C ATOM 305 O ARG A 20 -5.151 -4.374 5.798 1.00 0.00 O ATOM 306 CB ARG A 20 -4.982 -4.522 3.010 1.00 0.00 C ATOM 307 CG ARG A 20 -4.672 -4.673 1.516 1.00 0.00 C ATOM 308 CD ARG A 20 -3.219 -4.342 1.137 1.00 0.00 C ATOM 309 NE ARG A 20 -2.717 -3.110 1.757 1.00 0.00 N ATOM 310 CZ ARG A 20 -1.432 -2.720 1.740 1.00 0.00 C ATOM 311 NH1 ARG A 20 -0.484 -3.509 1.218 1.00 0.00 N ATOM 312 NH2 ARG A 20 -1.090 -1.527 2.239 1.00 0.00 N ATOM 0 H ARG A 20 -4.506 -6.969 2.878 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.026 -4.692 3.930 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.979 -4.915 3.211 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.999 -3.463 3.267 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.890 -5.697 1.213 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.340 -4.024 0.950 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -2.578 -5.173 1.429 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.147 -4.249 0.053 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.390 -2.509 2.233 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.735 -4.417 0.827 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.489 -3.202 1.211 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.805 -0.915 2.632 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.114 -1.230 2.227 1.00 0.00 H new ATOM 326 N TYR A 21 -4.182 -6.391 6.058 1.00 0.00 N ATOM 327 CA TYR A 21 -4.583 -6.587 7.442 1.00 0.00 C ATOM 328 C TYR A 21 -3.497 -6.023 8.361 1.00 0.00 C ATOM 329 O TYR A 21 -3.759 -5.125 9.158 1.00 0.00 O ATOM 330 CB TYR A 21 -4.855 -8.078 7.677 1.00 0.00 C ATOM 331 CG TYR A 21 -5.824 -8.375 8.800 1.00 0.00 C ATOM 332 CD1 TYR A 21 -7.207 -8.293 8.558 1.00 0.00 C ATOM 333 CD2 TYR A 21 -5.357 -8.801 10.057 1.00 0.00 C ATOM 334 CE1 TYR A 21 -8.122 -8.626 9.569 1.00 0.00 C ATOM 335 CE2 TYR A 21 -6.273 -9.136 11.069 1.00 0.00 C ATOM 336 CZ TYR A 21 -7.656 -9.050 10.824 1.00 0.00 C ATOM 337 OH TYR A 21 -8.550 -9.377 11.803 1.00 0.00 O ATOM 0 H TYR A 21 -3.641 -7.169 5.679 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.505 -6.052 7.668 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -5.244 -8.512 6.756 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -3.909 -8.577 7.890 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.566 -7.973 7.591 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -4.296 -8.871 10.244 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -9.183 -8.556 9.382 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -5.915 -9.460 12.035 1.00 0.00 H new ATOM 0 HH TYR A 21 -8.066 -9.651 12.610 1.00 0.00 H new ATOM 347 N THR A 22 -2.266 -6.531 8.212 1.00 0.00 N ATOM 348 CA THR A 22 -1.113 -6.127 9.013 1.00 0.00 C ATOM 349 C THR A 22 -0.570 -4.740 8.640 1.00 0.00 C ATOM 350 O THR A 22 0.218 -4.171 9.396 1.00 0.00 O ATOM 351 CB THR A 22 -0.012 -7.198 8.924 1.00 0.00 C ATOM 352 OG1 THR A 22 0.938 -6.980 9.945 1.00 0.00 O ATOM 353 CG2 THR A 22 0.699 -7.210 7.564 1.00 0.00 C ATOM 0 H THR A 22 -2.045 -7.246 7.519 1.00 0.00 H new ATOM 0 HA THR A 22 -1.453 -6.043 10.045 1.00 0.00 H new ATOM 0 HB THR A 22 -0.496 -8.167 9.045 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.062 -6.017 10.076 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.465 -7.986 7.561 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.026 -7.413 6.776 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.164 -6.240 7.388 1.00 0.00 H new ATOM 361 N THR A 23 -0.982 -4.181 7.492 1.00 0.00 N ATOM 362 CA THR A 23 -0.526 -2.866 7.067 1.00 0.00 C ATOM 363 C THR A 23 -1.023 -1.770 8.013 1.00 0.00 C ATOM 364 O THR A 23 -0.369 -0.740 8.136 1.00 0.00 O ATOM 365 CB THR A 23 -0.917 -2.599 5.607 1.00 0.00 C ATOM 366 OG1 THR A 23 -0.120 -1.546 5.104 1.00 0.00 O ATOM 367 CG2 THR A 23 -2.395 -2.221 5.472 1.00 0.00 C ATOM 0 H THR A 23 -1.632 -4.628 6.845 1.00 0.00 H new ATOM 0 HA THR A 23 0.563 -2.849 7.117 1.00 0.00 H new ATOM 0 HB THR A 23 -0.753 -3.515 5.039 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.694 -0.876 4.677 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.630 -2.040 4.423 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.015 -3.035 5.848 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.594 -1.318 6.049 1.00 0.00 H new ATOM 375 N GLN A 24 -2.158 -1.995 8.692 1.00 0.00 N ATOM 376 CA GLN A 24 -2.704 -1.089 9.692 1.00 0.00 C ATOM 377 C GLN A 24 -1.674 -0.855 10.802 1.00 0.00 C ATOM 378 O GLN A 24 -1.345 0.286 11.108 1.00 0.00 O ATOM 379 CB GLN A 24 -3.999 -1.681 10.264 1.00 0.00 C ATOM 380 CG GLN A 24 -5.115 -1.737 9.204 1.00 0.00 C ATOM 381 CD GLN A 24 -6.171 -0.650 9.342 1.00 0.00 C ATOM 382 OE1 GLN A 24 -6.453 -0.151 10.429 1.00 0.00 O ATOM 383 NE2 GLN A 24 -6.799 -0.314 8.219 1.00 0.00 N ATOM 0 H GLN A 24 -2.727 -2.830 8.553 1.00 0.00 H new ATOM 0 HA GLN A 24 -2.932 -0.128 9.231 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -3.805 -2.685 10.642 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -4.331 -1.080 11.111 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.663 -1.664 8.215 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -5.603 -2.710 9.260 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -6.535 -0.752 7.336 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.545 0.381 8.240 1.00 0.00 H new ATOM 392 N TYR A 25 -1.173 -1.943 11.398 1.00 0.00 N ATOM 393 CA TYR A 25 -0.254 -1.906 12.530 1.00 0.00 C ATOM 394 C TYR A 25 0.996 -1.077 12.225 1.00 0.00 C ATOM 395 O TYR A 25 1.366 -0.202 13.007 1.00 0.00 O ATOM 396 CB TYR A 25 0.129 -3.340 12.927 1.00 0.00 C ATOM 397 CG TYR A 25 0.113 -3.587 14.423 1.00 0.00 C ATOM 398 CD1 TYR A 25 1.179 -3.136 15.224 1.00 0.00 C ATOM 399 CD2 TYR A 25 -0.983 -4.239 15.022 1.00 0.00 C ATOM 400 CE1 TYR A 25 1.171 -3.378 16.609 1.00 0.00 C ATOM 401 CE2 TYR A 25 -0.988 -4.484 16.407 1.00 0.00 C ATOM 402 CZ TYR A 25 0.095 -4.065 17.199 1.00 0.00 C ATOM 403 OH TYR A 25 0.106 -4.322 18.539 1.00 0.00 O ATOM 0 H TYR A 25 -1.403 -2.890 11.097 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.761 -1.421 13.364 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.559 -4.036 12.446 1.00 0.00 H new ATOM 0 HB3 TYR A 25 1.125 -3.559 12.543 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.004 -2.603 14.774 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.821 -4.551 14.416 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.993 -3.036 17.221 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -1.824 -4.994 16.862 1.00 0.00 H new ATOM 0 HH TYR A 25 -0.711 -4.803 18.787 1.00 0.00 H new ATOM 413 N GLU A 26 1.632 -1.351 11.080 1.00 0.00 N ATOM 414 CA GLU A 26 2.768 -0.577 10.594 1.00 0.00 C ATOM 415 C GLU A 26 2.367 0.878 10.341 1.00 0.00 C ATOM 416 O GLU A 26 3.006 1.788 10.866 1.00 0.00 O ATOM 417 CB GLU A 26 3.388 -1.227 9.348 1.00 0.00 C ATOM 418 CG GLU A 26 4.594 -2.131 9.666 1.00 0.00 C ATOM 419 CD GLU A 26 4.339 -3.596 9.322 1.00 0.00 C ATOM 420 OE1 GLU A 26 4.259 -3.889 8.108 1.00 0.00 O ATOM 421 OE2 GLU A 26 4.246 -4.398 10.276 1.00 0.00 O ATOM 0 H GLU A 26 1.368 -2.121 10.465 1.00 0.00 H new ATOM 0 HA GLU A 26 3.535 -0.573 11.368 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.626 -1.816 8.837 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.702 -0.445 8.657 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.464 -1.778 9.112 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.836 -2.048 10.726 1.00 0.00 H new ATOM 428 N ALA A 27 1.308 1.098 9.555 1.00 0.00 N ATOM 429 CA ALA A 27 0.790 2.424 9.240 1.00 0.00 C ATOM 430 C ALA A 27 0.551 3.276 10.490 1.00 0.00 C ATOM 431 O ALA A 27 0.735 4.490 10.444 1.00 0.00 O ATOM 432 CB ALA A 27 -0.506 2.293 8.433 1.00 0.00 C ATOM 0 H ALA A 27 0.781 0.344 9.115 1.00 0.00 H new ATOM 0 HA ALA A 27 1.547 2.938 8.648 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.891 3.286 8.199 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.305 1.754 7.507 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.245 1.746 9.018 1.00 0.00 H new ATOM 438 N LYS A 28 0.153 2.642 11.602 1.00 0.00 N ATOM 439 CA LYS A 28 -0.124 3.311 12.867 1.00 0.00 C ATOM 440 C LYS A 28 1.133 3.969 13.448 1.00 0.00 C ATOM 441 O LYS A 28 1.041 5.035 14.052 1.00 0.00 O ATOM 442 CB LYS A 28 -0.727 2.310 13.865 1.00 0.00 C ATOM 443 CG LYS A 28 -1.489 3.013 14.995 1.00 0.00 C ATOM 444 CD LYS A 28 -2.153 1.971 15.907 1.00 0.00 C ATOM 445 CE LYS A 28 -3.143 2.608 16.896 1.00 0.00 C ATOM 446 NZ LYS A 28 -2.584 2.737 18.253 1.00 0.00 N ATOM 0 H LYS A 28 0.014 1.632 11.641 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.845 4.107 12.680 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.401 1.635 13.338 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.069 1.698 14.290 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.806 3.633 15.575 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.245 3.677 14.577 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.676 1.236 15.295 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.384 1.434 16.462 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.432 3.594 16.531 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.050 2.004 16.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.291 3.172 18.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.332 1.795 18.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.734 3.335 18.223 1.00 0.00 H new ATOM 460 N ARG A 29 2.299 3.337 13.270 1.00 0.00 N ATOM 461 CA ARG A 29 3.570 3.829 13.780 1.00 0.00 C ATOM 462 C ARG A 29 3.994 5.088 13.023 1.00 0.00 C ATOM 463 O ARG A 29 4.453 6.054 13.629 1.00 0.00 O ATOM 464 CB ARG A 29 4.628 2.731 13.634 1.00 0.00 C ATOM 465 CG ARG A 29 4.279 1.488 14.466 1.00 0.00 C ATOM 466 CD ARG A 29 5.045 0.259 13.957 1.00 0.00 C ATOM 467 NE ARG A 29 5.696 -0.488 15.040 1.00 0.00 N ATOM 468 CZ ARG A 29 6.792 -0.087 15.705 1.00 0.00 C ATOM 469 NH1 ARG A 29 7.371 1.089 15.425 1.00 0.00 N ATOM 470 NH2 ARG A 29 7.310 -0.870 16.660 1.00 0.00 N ATOM 0 H ARG A 29 2.380 2.458 12.760 1.00 0.00 H new ATOM 0 HA ARG A 29 3.464 4.088 14.833 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.720 2.452 12.584 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.598 3.117 13.947 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.522 1.666 15.513 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.206 1.300 14.415 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.357 -0.400 13.428 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.798 0.578 13.236 1.00 0.00 H new ATOM 0 HE ARG A 29 5.284 -1.382 15.309 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.980 1.690 14.700 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.203 1.383 15.937 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.872 -1.765 16.879 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.142 -0.571 17.169 1.00 0.00 H new ATOM 484 N LEU A 30 3.845 5.064 11.694 1.00 0.00 N ATOM 485 CA LEU A 30 4.243 6.154 10.816 1.00 0.00 C ATOM 486 C LEU A 30 3.265 7.323 10.911 1.00 0.00 C ATOM 487 O LEU A 30 3.681 8.480 10.873 1.00 0.00 O ATOM 488 CB LEU A 30 4.300 5.639 9.375 1.00 0.00 C ATOM 489 CG LEU A 30 5.198 4.406 9.202 1.00 0.00 C ATOM 490 CD1 LEU A 30 4.980 3.872 7.786 1.00 0.00 C ATOM 491 CD2 LEU A 30 6.674 4.730 9.455 1.00 0.00 C ATOM 0 H LEU A 30 3.438 4.272 11.197 1.00 0.00 H new ATOM 0 HA LEU A 30 5.225 6.512 11.125 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.291 5.393 9.045 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.662 6.437 8.726 1.00 0.00 H new ATOM 0 HG LEU A 30 4.930 3.649 9.939 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.605 2.993 7.628 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.932 3.600 7.657 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.247 4.642 7.062 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.272 3.829 9.322 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.005 5.493 8.750 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.796 5.099 10.473 1.00 0.00 H new ATOM 503 N GLY A 31 1.968 7.013 11.007 1.00 0.00 N ATOM 504 CA GLY A 31 0.894 7.990 11.048 1.00 0.00 C ATOM 505 C GLY A 31 0.493 8.491 9.660 1.00 0.00 C ATOM 506 O GLY A 31 -0.185 9.511 9.552 1.00 0.00 O ATOM 0 H GLY A 31 1.636 6.050 11.059 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.025 7.547 11.534 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.204 8.838 11.659 1.00 0.00 H new ATOM 510 N LEU A 32 0.896 7.776 8.603 1.00 0.00 N ATOM 511 CA LEU A 32 0.508 8.083 7.233 1.00 0.00 C ATOM 512 C LEU A 32 -0.954 7.713 6.984 1.00 0.00 C ATOM 513 O LEU A 32 -1.612 7.116 7.836 1.00 0.00 O ATOM 514 CB LEU A 32 1.468 7.417 6.237 1.00 0.00 C ATOM 515 CG LEU A 32 1.089 6.013 5.735 1.00 0.00 C ATOM 516 CD1 LEU A 32 2.229 5.510 4.863 1.00 0.00 C ATOM 517 CD2 LEU A 32 0.853 5.000 6.854 1.00 0.00 C ATOM 0 H LEU A 32 1.506 6.962 8.682 1.00 0.00 H new ATOM 0 HA LEU A 32 0.587 9.159 7.077 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.566 8.072 5.371 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.451 7.356 6.703 1.00 0.00 H new ATOM 0 HG LEU A 32 0.148 6.104 5.192 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.990 4.514 4.491 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.370 6.188 4.021 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.146 5.467 5.451 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.590 4.035 6.421 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.761 4.896 7.448 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.039 5.345 7.492 1.00 0.00 H new ATOM 529 N THR A 33 -1.458 8.087 5.808 1.00 0.00 N ATOM 530 CA THR A 33 -2.859 7.927 5.462 1.00 0.00 C ATOM 531 C THR A 33 -2.953 7.002 4.247 1.00 0.00 C ATOM 532 O THR A 33 -1.979 6.324 3.924 1.00 0.00 O ATOM 533 CB THR A 33 -3.453 9.318 5.213 1.00 0.00 C ATOM 534 OG1 THR A 33 -2.858 9.917 4.084 1.00 0.00 O ATOM 535 CG2 THR A 33 -3.261 10.230 6.431 1.00 0.00 C ATOM 0 H THR A 33 -0.898 8.511 5.069 1.00 0.00 H new ATOM 0 HA THR A 33 -3.435 7.466 6.264 1.00 0.00 H new ATOM 0 HB THR A 33 -4.521 9.190 5.035 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.130 10.857 4.031 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.693 11.209 6.224 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.757 9.791 7.296 1.00 0.00 H new ATOM 0 HG23 THR A 33 -2.197 10.339 6.640 1.00 0.00 H new ATOM 543 N GLY A 34 -4.094 6.994 3.549 1.00 0.00 N ATOM 544 CA GLY A 34 -4.221 6.336 2.260 1.00 0.00 C ATOM 545 C GLY A 34 -5.347 5.325 2.263 1.00 0.00 C ATOM 546 O GLY A 34 -6.290 5.429 3.044 1.00 0.00 O ATOM 0 H GLY A 34 -4.951 7.446 3.869 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.402 7.082 1.486 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.284 5.838 2.010 1.00 0.00 H new ATOM 550 N TYR A 35 -5.216 4.330 1.385 1.00 0.00 N ATOM 551 CA TYR A 35 -6.095 3.173 1.395 1.00 0.00 C ATOM 552 C TYR A 35 -5.580 2.055 0.503 1.00 0.00 C ATOM 553 O TYR A 35 -4.777 2.291 -0.396 1.00 0.00 O ATOM 554 CB TYR A 35 -7.515 3.540 0.953 1.00 0.00 C ATOM 555 CG TYR A 35 -7.629 3.908 -0.512 1.00 0.00 C ATOM 556 CD1 TYR A 35 -7.825 2.902 -1.474 1.00 0.00 C ATOM 557 CD2 TYR A 35 -7.421 5.238 -0.927 1.00 0.00 C ATOM 558 CE1 TYR A 35 -7.790 3.218 -2.840 1.00 0.00 C ATOM 559 CE2 TYR A 35 -7.460 5.563 -2.294 1.00 0.00 C ATOM 560 CZ TYR A 35 -7.650 4.552 -3.251 1.00 0.00 C ATOM 561 OH TYR A 35 -7.701 4.857 -4.579 1.00 0.00 O ATOM 0 H TYR A 35 -4.503 4.308 0.656 1.00 0.00 H new ATOM 0 HA TYR A 35 -6.115 2.822 2.427 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -8.177 2.699 1.158 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.867 4.377 1.556 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -8.003 1.884 -1.161 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.231 6.009 -0.194 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -7.871 2.433 -3.577 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.344 6.590 -2.609 1.00 0.00 H new ATOM 0 HH TYR A 35 -7.589 5.823 -4.697 1.00 0.00 H new ATOM 571 N ALA A 36 -6.104 0.847 0.743 1.00 0.00 N ATOM 572 CA ALA A 36 -5.780 -0.337 -0.034 1.00 0.00 C ATOM 573 C ALA A 36 -7.037 -1.003 -0.596 1.00 0.00 C ATOM 574 O ALA A 36 -7.679 -1.779 0.111 1.00 0.00 O ATOM 575 CB ALA A 36 -4.999 -1.286 0.863 1.00 0.00 C ATOM 0 H ALA A 36 -6.772 0.671 1.493 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.174 -0.059 -0.896 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.742 -2.186 0.304 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.086 -0.797 1.203 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.609 -1.556 1.725 1.00 0.00 H new ATOM 581 N LYS A 37 -7.381 -0.721 -1.862 1.00 0.00 N ATOM 582 CA LYS A 37 -8.512 -1.319 -2.546 1.00 0.00 C ATOM 583 C LYS A 37 -8.067 -2.523 -3.366 1.00 0.00 C ATOM 584 O LYS A 37 -6.873 -2.792 -3.485 1.00 0.00 O ATOM 585 CB LYS A 37 -9.184 -0.281 -3.446 1.00 0.00 C ATOM 586 CG LYS A 37 -8.419 0.007 -4.746 1.00 0.00 C ATOM 587 CD LYS A 37 -9.081 1.108 -5.590 1.00 0.00 C ATOM 588 CE LYS A 37 -9.776 0.581 -6.855 1.00 0.00 C ATOM 589 NZ LYS A 37 -11.065 -0.073 -6.570 1.00 0.00 N ATOM 0 H LYS A 37 -6.865 -0.058 -2.440 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.231 -1.661 -1.801 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.187 -0.627 -3.696 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.297 0.649 -2.889 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.398 0.304 -4.504 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.354 -0.908 -5.335 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.812 1.634 -4.976 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.324 1.837 -5.879 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.939 1.408 -7.546 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.118 -0.128 -7.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.488 -0.408 -7.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.911 -0.881 -5.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.707 0.608 -6.116 1.00 0.00 H new ATOM 603 N ASN A 38 -9.043 -3.216 -3.963 1.00 0.00 N ATOM 604 CA ASN A 38 -8.821 -4.382 -4.807 1.00 0.00 C ATOM 605 C ASN A 38 -9.451 -4.144 -6.183 1.00 0.00 C ATOM 606 O ASN A 38 -10.551 -3.599 -6.272 1.00 0.00 O ATOM 607 CB ASN A 38 -9.356 -5.645 -4.116 1.00 0.00 C ATOM 608 CG ASN A 38 -8.790 -5.917 -2.724 1.00 0.00 C ATOM 609 OD1 ASN A 38 -7.959 -5.189 -2.189 1.00 0.00 O ATOM 610 ND2 ASN A 38 -9.248 -7.007 -2.116 1.00 0.00 N ATOM 0 H ASN A 38 -10.029 -2.972 -3.867 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.753 -4.538 -4.961 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -10.440 -5.566 -4.040 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -9.143 -6.505 -4.751 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.909 -7.253 -1.186 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -9.939 -7.597 -2.580 1.00 0.00 H new ATOM 617 N LEU A 39 -8.741 -4.535 -7.251 1.00 0.00 N ATOM 618 CA LEU A 39 -9.224 -4.525 -8.630 1.00 0.00 C ATOM 619 C LEU A 39 -10.171 -5.700 -8.867 1.00 0.00 C ATOM 620 O LEU A 39 -10.314 -6.587 -8.027 1.00 0.00 O ATOM 621 CB LEU A 39 -8.050 -4.605 -9.632 1.00 0.00 C ATOM 622 CG LEU A 39 -7.366 -3.268 -9.956 1.00 0.00 C ATOM 623 CD1 LEU A 39 -6.322 -3.461 -11.067 1.00 0.00 C ATOM 624 CD2 LEU A 39 -8.378 -2.230 -10.464 1.00 0.00 C ATOM 0 H LEU A 39 -7.784 -4.877 -7.171 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.757 -3.587 -8.789 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.301 -5.289 -9.234 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.417 -5.040 -10.561 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.902 -2.918 -9.034 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.844 -2.506 -11.287 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.568 -4.176 -10.738 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.812 -3.838 -11.965 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.862 -1.296 -10.684 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.857 -2.602 -11.370 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.135 -2.055 -9.699 1.00 0.00 H new ATOM 636 N ASP A 40 -10.793 -5.701 -10.048 1.00 0.00 N ATOM 637 CA ASP A 40 -11.710 -6.737 -10.499 1.00 0.00 C ATOM 638 C ASP A 40 -10.990 -7.854 -11.267 1.00 0.00 C ATOM 639 O ASP A 40 -11.651 -8.758 -11.774 1.00 0.00 O ATOM 640 CB ASP A 40 -12.800 -6.083 -11.360 1.00 0.00 C ATOM 641 CG ASP A 40 -13.495 -4.942 -10.619 1.00 0.00 C ATOM 642 OD1 ASP A 40 -14.126 -5.238 -9.581 1.00 0.00 O ATOM 643 OD2 ASP A 40 -13.366 -3.793 -11.092 1.00 0.00 O ATOM 0 H ASP A 40 -10.665 -4.957 -10.733 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.161 -7.212 -9.628 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.358 -5.703 -12.281 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.537 -6.833 -11.646 1.00 0.00 H new ATOM 648 N ASP A 41 -9.652 -7.794 -11.356 1.00 0.00 N ATOM 649 CA ASP A 41 -8.830 -8.724 -12.125 1.00 0.00 C ATOM 650 C ASP A 41 -8.016 -9.665 -11.227 1.00 0.00 C ATOM 651 O ASP A 41 -7.431 -10.624 -11.728 1.00 0.00 O ATOM 652 CB ASP A 41 -7.915 -7.918 -13.057 1.00 0.00 C ATOM 653 CG ASP A 41 -7.417 -8.753 -14.236 1.00 0.00 C ATOM 654 OD1 ASP A 41 -8.267 -9.103 -15.083 1.00 0.00 O ATOM 655 OD2 ASP A 41 -6.195 -9.014 -14.277 1.00 0.00 O ATOM 0 H ASP A 41 -9.104 -7.077 -10.881 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.487 -9.364 -12.713 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -8.455 -7.048 -13.432 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -7.061 -7.544 -12.492 1.00 0.00 H new ATOM 660 N GLY A 42 -7.975 -9.394 -9.913 1.00 0.00 N ATOM 661 CA GLY A 42 -7.231 -10.155 -8.921 1.00 0.00 C ATOM 662 C GLY A 42 -6.184 -9.325 -8.166 1.00 0.00 C ATOM 663 O GLY A 42 -5.533 -9.841 -7.261 1.00 0.00 O ATOM 0 H GLY A 42 -8.481 -8.607 -9.506 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.931 -10.581 -8.202 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.733 -10.990 -9.414 1.00 0.00 H new ATOM 667 N SER A 43 -6.004 -8.057 -8.548 1.00 0.00 N ATOM 668 CA SER A 43 -4.934 -7.182 -8.069 1.00 0.00 C ATOM 669 C SER A 43 -5.384 -6.324 -6.875 1.00 0.00 C ATOM 670 O SER A 43 -6.577 -6.220 -6.606 1.00 0.00 O ATOM 671 CB SER A 43 -4.453 -6.341 -9.266 1.00 0.00 C ATOM 672 OG SER A 43 -4.046 -5.034 -8.916 1.00 0.00 O ATOM 0 H SER A 43 -6.619 -7.599 -9.220 1.00 0.00 H new ATOM 0 HA SER A 43 -4.102 -7.773 -7.686 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.621 -6.854 -9.748 1.00 0.00 H new ATOM 0 HB3 SER A 43 -5.256 -6.277 -10.000 1.00 0.00 H new ATOM 0 HG SER A 43 -3.265 -5.082 -8.326 1.00 0.00 H new ATOM 678 N VAL A 44 -4.416 -5.741 -6.149 1.00 0.00 N ATOM 679 CA VAL A 44 -4.625 -4.894 -4.976 1.00 0.00 C ATOM 680 C VAL A 44 -3.880 -3.561 -5.129 1.00 0.00 C ATOM 681 O VAL A 44 -2.654 -3.563 -5.221 1.00 0.00 O ATOM 682 CB VAL A 44 -4.170 -5.673 -3.731 1.00 0.00 C ATOM 683 CG1 VAL A 44 -4.200 -4.816 -2.460 1.00 0.00 C ATOM 684 CG2 VAL A 44 -5.119 -6.859 -3.508 1.00 0.00 C ATOM 0 H VAL A 44 -3.428 -5.855 -6.377 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.681 -4.646 -4.871 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.144 -5.995 -3.912 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.870 -5.414 -1.610 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.536 -3.961 -2.582 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.216 -4.464 -2.283 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.803 -7.417 -2.627 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.134 -6.490 -3.360 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.095 -7.513 -4.379 1.00 0.00 H new ATOM 694 N GLU A 45 -4.606 -2.432 -5.140 1.00 0.00 N ATOM 695 CA GLU A 45 -4.035 -1.095 -5.315 1.00 0.00 C ATOM 696 C GLU A 45 -3.904 -0.371 -3.973 1.00 0.00 C ATOM 697 O GLU A 45 -4.907 -0.133 -3.300 1.00 0.00 O ATOM 698 CB GLU A 45 -4.872 -0.231 -6.268 1.00 0.00 C ATOM 699 CG GLU A 45 -5.677 -1.009 -7.308 1.00 0.00 C ATOM 700 CD GLU A 45 -6.278 -0.041 -8.324 1.00 0.00 C ATOM 701 OE1 GLU A 45 -6.858 0.971 -7.877 1.00 0.00 O ATOM 702 OE2 GLU A 45 -6.128 -0.307 -9.534 1.00 0.00 O ATOM 0 H GLU A 45 -5.620 -2.426 -5.026 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.047 -1.238 -5.752 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.560 0.374 -5.677 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.207 0.459 -6.787 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.035 -1.730 -7.814 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.469 -1.576 -6.819 1.00 0.00 H new ATOM 709 N VAL A 46 -2.673 -0.006 -3.607 1.00 0.00 N ATOM 710 CA VAL A 46 -2.309 0.578 -2.323 1.00 0.00 C ATOM 711 C VAL A 46 -1.879 2.034 -2.532 1.00 0.00 C ATOM 712 O VAL A 46 -1.176 2.315 -3.496 1.00 0.00 O ATOM 713 CB VAL A 46 -1.147 -0.259 -1.755 1.00 0.00 C ATOM 714 CG1 VAL A 46 -0.681 0.233 -0.384 1.00 0.00 C ATOM 715 CG2 VAL A 46 -1.542 -1.737 -1.633 1.00 0.00 C ATOM 0 H VAL A 46 -1.871 -0.116 -4.228 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.149 0.572 -1.628 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.325 -0.145 -2.461 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.139 -0.393 -0.032 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.341 1.265 -0.464 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.509 0.178 0.323 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.704 -2.305 -1.230 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.399 -1.831 -0.966 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.804 -2.126 -2.617 1.00 0.00 H new ATOM 725 N VAL A 47 -2.282 2.958 -1.649 1.00 0.00 N ATOM 726 CA VAL A 47 -1.968 4.388 -1.756 1.00 0.00 C ATOM 727 C VAL A 47 -1.508 4.925 -0.394 1.00 0.00 C ATOM 728 O VAL A 47 -2.020 4.458 0.621 1.00 0.00 O ATOM 729 CB VAL A 47 -3.214 5.176 -2.204 1.00 0.00 C ATOM 730 CG1 VAL A 47 -2.833 6.553 -2.757 1.00 0.00 C ATOM 731 CG2 VAL A 47 -4.050 4.441 -3.263 1.00 0.00 C ATOM 0 H VAL A 47 -2.843 2.729 -0.829 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.174 4.512 -2.492 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.821 5.284 -1.305 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.734 7.084 -3.064 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.320 7.126 -1.985 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.173 6.430 -3.616 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.912 5.051 -3.534 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.440 4.262 -4.148 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.392 3.488 -2.859 1.00 0.00 H new ATOM 741 N ALA A 48 -0.561 5.881 -0.364 1.00 0.00 N ATOM 742 CA ALA A 48 0.000 6.380 0.897 1.00 0.00 C ATOM 743 C ALA A 48 0.606 7.773 0.731 1.00 0.00 C ATOM 744 O ALA A 48 1.309 7.993 -0.251 1.00 0.00 O ATOM 745 CB ALA A 48 1.118 5.425 1.320 1.00 0.00 C ATOM 0 H ALA A 48 -0.172 6.320 -1.198 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.798 6.436 1.637 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.556 5.770 2.257 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.709 4.424 1.458 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.887 5.400 0.548 1.00 0.00 H new ATOM 751 N CYS A 49 0.380 8.680 1.694 1.00 0.00 N ATOM 752 CA CYS A 49 0.897 10.052 1.699 1.00 0.00 C ATOM 753 C CYS A 49 2.014 10.250 2.720 1.00 0.00 C ATOM 754 O CYS A 49 2.363 9.336 3.461 1.00 0.00 O ATOM 755 CB CYS A 49 -0.274 11.000 1.979 1.00 0.00 C ATOM 756 SG CYS A 49 -1.402 11.228 0.581 1.00 0.00 S ATOM 0 H CYS A 49 -0.186 8.469 2.516 1.00 0.00 H new ATOM 0 HA CYS A 49 1.339 10.267 0.726 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.840 10.618 2.828 1.00 0.00 H new ATOM 0 HB3 CYS A 49 0.123 11.972 2.272 1.00 0.00 H new ATOM 761 N GLY A 50 2.569 11.467 2.744 1.00 0.00 N ATOM 762 CA GLY A 50 3.672 11.858 3.606 1.00 0.00 C ATOM 763 C GLY A 50 4.974 11.859 2.815 1.00 0.00 C ATOM 764 O GLY A 50 4.960 11.788 1.589 1.00 0.00 O ATOM 0 H GLY A 50 2.247 12.225 2.142 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.487 12.849 4.020 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.748 11.170 4.448 1.00 0.00 H new ATOM 768 N GLU A 51 6.103 11.949 3.525 1.00 0.00 N ATOM 769 CA GLU A 51 7.426 11.883 2.922 1.00 0.00 C ATOM 770 C GLU A 51 7.729 10.445 2.497 1.00 0.00 C ATOM 771 O GLU A 51 7.377 9.507 3.207 1.00 0.00 O ATOM 772 CB GLU A 51 8.478 12.449 3.884 1.00 0.00 C ATOM 773 CG GLU A 51 8.584 11.666 5.196 1.00 0.00 C ATOM 774 CD GLU A 51 9.471 12.384 6.206 1.00 0.00 C ATOM 775 OE1 GLU A 51 10.671 12.538 5.897 1.00 0.00 O ATOM 776 OE2 GLU A 51 8.929 12.760 7.268 1.00 0.00 O ATOM 0 H GLU A 51 6.119 12.070 4.538 1.00 0.00 H new ATOM 0 HA GLU A 51 7.455 12.501 2.024 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.449 12.449 3.390 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.234 13.488 4.108 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.589 11.526 5.619 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.988 10.673 4.997 1.00 0.00 H new ATOM 783 N GLU A 52 8.376 10.272 1.337 1.00 0.00 N ATOM 784 CA GLU A 52 8.679 8.958 0.779 1.00 0.00 C ATOM 785 C GLU A 52 9.413 8.112 1.817 1.00 0.00 C ATOM 786 O GLU A 52 9.022 6.980 2.075 1.00 0.00 O ATOM 787 CB GLU A 52 9.505 9.099 -0.509 1.00 0.00 C ATOM 788 CG GLU A 52 8.959 8.174 -1.603 1.00 0.00 C ATOM 789 CD GLU A 52 9.716 8.347 -2.917 1.00 0.00 C ATOM 790 OE1 GLU A 52 9.587 9.444 -3.504 1.00 0.00 O ATOM 791 OE2 GLU A 52 10.405 7.382 -3.314 1.00 0.00 O ATOM 0 H GLU A 52 8.703 11.047 0.760 1.00 0.00 H new ATOM 0 HA GLU A 52 7.747 8.454 0.522 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.479 10.133 -0.853 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.548 8.856 -0.307 1.00 0.00 H new ATOM 0 HG2 GLU A 52 9.033 7.138 -1.274 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.901 8.383 -1.762 1.00 0.00 H new ATOM 798 N GLY A 53 10.431 8.708 2.448 1.00 0.00 N ATOM 799 CA GLY A 53 11.223 8.148 3.524 1.00 0.00 C ATOM 800 C GLY A 53 10.408 7.472 4.632 1.00 0.00 C ATOM 801 O GLY A 53 10.873 6.490 5.204 1.00 0.00 O ATOM 0 H GLY A 53 10.734 9.650 2.199 1.00 0.00 H new ATOM 0 HA2 GLY A 53 11.917 7.419 3.105 1.00 0.00 H new ATOM 0 HA3 GLY A 53 11.824 8.942 3.966 1.00 0.00 H new ATOM 805 N GLN A 54 9.212 7.996 4.939 1.00 0.00 N ATOM 806 CA GLN A 54 8.302 7.461 5.947 1.00 0.00 C ATOM 807 C GLN A 54 7.438 6.348 5.371 1.00 0.00 C ATOM 808 O GLN A 54 7.267 5.306 5.999 1.00 0.00 O ATOM 809 CB GLN A 54 7.373 8.562 6.474 1.00 0.00 C ATOM 810 CG GLN A 54 8.013 9.365 7.610 1.00 0.00 C ATOM 811 CD GLN A 54 8.122 8.546 8.894 1.00 0.00 C ATOM 812 OE1 GLN A 54 9.213 8.138 9.286 1.00 0.00 O ATOM 813 NE2 GLN A 54 6.988 8.296 9.553 1.00 0.00 N ATOM 0 H GLN A 54 8.846 8.828 4.476 1.00 0.00 H new ATOM 0 HA GLN A 54 8.916 7.067 6.757 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.111 9.236 5.658 1.00 0.00 H new ATOM 0 HB3 GLN A 54 6.444 8.113 6.827 1.00 0.00 H new ATOM 0 HG2 GLN A 54 9.006 9.697 7.306 1.00 0.00 H new ATOM 0 HG3 GLN A 54 7.422 10.261 7.800 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.101 8.652 9.196 1.00 0.00 H new ATOM 0 HE22 GLN A 54 7.008 7.749 10.414 1.00 0.00 H new ATOM 822 N VAL A 55 6.870 6.581 4.188 1.00 0.00 N ATOM 823 CA VAL A 55 6.045 5.591 3.515 1.00 0.00 C ATOM 824 C VAL A 55 6.841 4.309 3.258 1.00 0.00 C ATOM 825 O VAL A 55 6.319 3.210 3.443 1.00 0.00 O ATOM 826 CB VAL A 55 5.481 6.155 2.202 1.00 0.00 C ATOM 827 CG1 VAL A 55 4.530 5.118 1.602 1.00 0.00 C ATOM 828 CG2 VAL A 55 4.720 7.473 2.380 1.00 0.00 C ATOM 0 H VAL A 55 6.971 7.457 3.676 1.00 0.00 H new ATOM 0 HA VAL A 55 5.206 5.346 4.167 1.00 0.00 H new ATOM 0 HB VAL A 55 6.329 6.364 1.549 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.118 5.500 0.668 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.075 4.194 1.408 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.718 4.920 2.302 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.350 7.813 1.413 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.879 7.319 3.057 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.389 8.226 2.798 1.00 0.00 H new ATOM 838 N GLU A 56 8.108 4.449 2.856 1.00 0.00 N ATOM 839 CA GLU A 56 8.975 3.337 2.508 1.00 0.00 C ATOM 840 C GLU A 56 9.198 2.394 3.693 1.00 0.00 C ATOM 841 O GLU A 56 9.460 1.213 3.484 1.00 0.00 O ATOM 842 CB GLU A 56 10.301 3.846 1.928 1.00 0.00 C ATOM 843 CG GLU A 56 10.764 2.956 0.772 1.00 0.00 C ATOM 844 CD GLU A 56 12.149 3.366 0.281 1.00 0.00 C ATOM 845 OE1 GLU A 56 12.267 4.514 -0.198 1.00 0.00 O ATOM 846 OE2 GLU A 56 13.066 2.525 0.402 1.00 0.00 O ATOM 0 H GLU A 56 8.561 5.358 2.764 1.00 0.00 H new ATOM 0 HA GLU A 56 8.474 2.753 1.736 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.181 4.871 1.578 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.062 3.862 2.708 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.783 1.915 1.096 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.050 3.021 -0.049 1.00 0.00 H new ATOM 853 N LYS A 57 9.072 2.901 4.928 1.00 0.00 N ATOM 854 CA LYS A 57 9.257 2.119 6.142 1.00 0.00 C ATOM 855 C LYS A 57 8.307 0.917 6.171 1.00 0.00 C ATOM 856 O LYS A 57 8.760 -0.202 6.400 1.00 0.00 O ATOM 857 CB LYS A 57 9.044 2.990 7.385 1.00 0.00 C ATOM 858 CG LYS A 57 9.855 4.293 7.416 1.00 0.00 C ATOM 859 CD LYS A 57 11.375 4.133 7.493 1.00 0.00 C ATOM 860 CE LYS A 57 11.803 3.383 8.759 1.00 0.00 C ATOM 861 NZ LYS A 57 13.055 3.929 9.309 1.00 0.00 N ATOM 0 H LYS A 57 8.836 3.877 5.105 1.00 0.00 H new ATOM 0 HA LYS A 57 10.282 1.748 6.147 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.985 3.238 7.458 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.296 2.403 8.268 1.00 0.00 H new ATOM 0 HG2 LYS A 57 9.615 4.869 6.522 1.00 0.00 H new ATOM 0 HG3 LYS A 57 9.527 4.882 8.273 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.729 3.595 6.614 1.00 0.00 H new ATOM 0 HD3 LYS A 57 11.846 5.116 7.476 1.00 0.00 H new ATOM 0 HE2 LYS A 57 11.014 3.451 9.508 1.00 0.00 H new ATOM 0 HE3 LYS A 57 11.935 2.325 8.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 13.318 3.400 10.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 13.812 3.841 8.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 12.920 4.932 9.549 1.00 0.00 H new ATOM 875 N LEU A 58 7.003 1.129 5.926 1.00 0.00 N ATOM 876 CA LEU A 58 6.056 0.021 5.845 1.00 0.00 C ATOM 877 C LEU A 58 6.236 -0.745 4.538 1.00 0.00 C ATOM 878 O LEU A 58 6.024 -1.953 4.511 1.00 0.00 O ATOM 879 CB LEU A 58 4.599 0.469 6.064 1.00 0.00 C ATOM 880 CG LEU A 58 3.872 1.023 4.825 1.00 0.00 C ATOM 881 CD1 LEU A 58 3.073 -0.068 4.102 1.00 0.00 C ATOM 882 CD2 LEU A 58 2.890 2.118 5.237 1.00 0.00 C ATOM 0 H LEU A 58 6.590 2.051 5.783 1.00 0.00 H new ATOM 0 HA LEU A 58 6.279 -0.661 6.665 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.032 -0.380 6.445 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.587 1.234 6.840 1.00 0.00 H new ATOM 0 HG LEU A 58 4.639 1.416 4.157 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.574 0.362 3.233 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.749 -0.859 3.778 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.327 -0.483 4.780 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.382 2.502 4.353 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.155 1.706 5.928 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.432 2.928 5.725 1.00 0.00 H new ATOM 894 N MET A 59 6.620 -0.061 3.450 1.00 0.00 N ATOM 895 CA MET A 59 6.757 -0.705 2.152 1.00 0.00 C ATOM 896 C MET A 59 7.899 -1.717 2.152 1.00 0.00 C ATOM 897 O MET A 59 7.857 -2.654 1.361 1.00 0.00 O ATOM 898 CB MET A 59 6.885 0.297 0.999 1.00 0.00 C ATOM 899 CG MET A 59 5.758 1.342 0.976 1.00 0.00 C ATOM 900 SD MET A 59 4.623 1.271 -0.437 1.00 0.00 S ATOM 901 CE MET A 59 5.475 2.378 -1.591 1.00 0.00 C ATOM 0 H MET A 59 6.839 0.935 3.451 1.00 0.00 H new ATOM 0 HA MET A 59 5.829 -1.249 1.976 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.844 0.809 1.076 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.888 -0.245 0.054 1.00 0.00 H new ATOM 0 HG2 MET A 59 5.173 1.235 1.890 1.00 0.00 H new ATOM 0 HG3 MET A 59 6.210 2.333 1.002 1.00 0.00 H new ATOM 0 HE1 MET A 59 4.905 2.446 -2.518 1.00 0.00 H new ATOM 0 HE2 MET A 59 5.564 3.369 -1.146 1.00 0.00 H new ATOM 0 HE3 MET A 59 6.469 1.986 -1.804 1.00 0.00 H new ATOM 911 N GLN A 60 8.882 -1.584 3.054 1.00 0.00 N ATOM 912 CA GLN A 60 9.875 -2.625 3.281 1.00 0.00 C ATOM 913 C GLN A 60 9.176 -3.989 3.381 1.00 0.00 C ATOM 914 O GLN A 60 9.554 -4.920 2.678 1.00 0.00 O ATOM 915 CB GLN A 60 10.724 -2.293 4.519 1.00 0.00 C ATOM 916 CG GLN A 60 11.517 -0.983 4.316 1.00 0.00 C ATOM 917 CD GLN A 60 13.024 -1.137 4.519 1.00 0.00 C ATOM 918 OE1 GLN A 60 13.471 -1.791 5.458 1.00 0.00 O ATOM 919 NE2 GLN A 60 13.820 -0.518 3.642 1.00 0.00 N ATOM 0 H GLN A 60 9.004 -0.757 3.638 1.00 0.00 H new ATOM 0 HA GLN A 60 10.565 -2.675 2.438 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.078 -2.199 5.392 1.00 0.00 H new ATOM 0 HB3 GLN A 60 11.415 -3.112 4.720 1.00 0.00 H new ATOM 0 HG2 GLN A 60 11.332 -0.609 3.309 1.00 0.00 H new ATOM 0 HG3 GLN A 60 11.141 -0.231 5.009 1.00 0.00 H new ATOM 0 HE21 GLN A 60 13.414 0.017 2.874 1.00 0.00 H new ATOM 0 HE22 GLN A 60 14.833 -0.580 3.741 1.00 0.00 H new ATOM 928 N TRP A 61 8.124 -4.091 4.206 1.00 0.00 N ATOM 929 CA TRP A 61 7.356 -5.317 4.347 1.00 0.00 C ATOM 930 C TRP A 61 6.730 -5.777 3.014 1.00 0.00 C ATOM 931 O TRP A 61 6.762 -6.970 2.730 1.00 0.00 O ATOM 932 CB TRP A 61 6.315 -5.207 5.460 1.00 0.00 C ATOM 933 CG TRP A 61 5.069 -6.003 5.240 1.00 0.00 C ATOM 934 CD1 TRP A 61 4.916 -7.333 5.421 1.00 0.00 C ATOM 935 CD2 TRP A 61 3.812 -5.527 4.691 1.00 0.00 C ATOM 936 NE1 TRP A 61 3.648 -7.714 5.029 1.00 0.00 N ATOM 937 CE2 TRP A 61 2.924 -6.632 4.567 1.00 0.00 C ATOM 938 CE3 TRP A 61 3.355 -4.272 4.244 1.00 0.00 C ATOM 939 CZ2 TRP A 61 1.631 -6.492 4.045 1.00 0.00 C ATOM 940 CZ3 TRP A 61 2.036 -4.105 3.786 1.00 0.00 C ATOM 941 CH2 TRP A 61 1.180 -5.216 3.671 1.00 0.00 C ATOM 0 H TRP A 61 7.790 -3.323 4.789 1.00 0.00 H new ATOM 0 HA TRP A 61 8.060 -6.095 4.640 1.00 0.00 H new ATOM 0 HB2 TRP A 61 6.772 -5.526 6.397 1.00 0.00 H new ATOM 0 HB3 TRP A 61 6.042 -4.158 5.579 1.00 0.00 H new ATOM 0 HD1 TRP A 61 5.671 -7.998 5.813 1.00 0.00 H new ATOM 0 HE1 TRP A 61 3.293 -8.669 5.075 1.00 0.00 H new ATOM 0 HE3 TRP A 61 4.027 -3.426 4.253 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 0.990 -7.354 3.932 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 1.679 -3.121 3.522 1.00 0.00 H new ATOM 0 HH2 TRP A 61 0.176 -5.087 3.295 1.00 0.00 H new ATOM 952 N LEU A 62 6.135 -4.873 2.215 1.00 0.00 N ATOM 953 CA LEU A 62 5.518 -5.211 0.928 1.00 0.00 C ATOM 954 C LEU A 62 6.471 -6.022 0.043 1.00 0.00 C ATOM 955 O LEU A 62 6.069 -7.046 -0.505 1.00 0.00 O ATOM 956 CB LEU A 62 5.041 -3.940 0.187 1.00 0.00 C ATOM 957 CG LEU A 62 3.570 -3.577 0.447 1.00 0.00 C ATOM 958 CD1 LEU A 62 3.377 -2.093 0.768 1.00 0.00 C ATOM 959 CD2 LEU A 62 2.734 -3.882 -0.807 1.00 0.00 C ATOM 0 H LEU A 62 6.071 -3.882 2.449 1.00 0.00 H new ATOM 0 HA LEU A 62 4.647 -5.831 1.140 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.669 -3.101 0.486 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.185 -4.081 -0.884 1.00 0.00 H new ATOM 0 HG LEU A 62 3.252 -4.169 1.305 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.320 -1.893 0.943 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.947 -1.837 1.661 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.726 -1.491 -0.071 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.691 -3.624 -0.621 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.109 -3.295 -1.646 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.808 -4.943 -1.045 1.00 0.00 H new ATOM 971 N LYS A 63 7.729 -5.578 -0.083 1.00 0.00 N ATOM 972 CA LYS A 63 8.735 -6.258 -0.894 1.00 0.00 C ATOM 973 C LYS A 63 9.415 -7.428 -0.160 1.00 0.00 C ATOM 974 O LYS A 63 10.256 -8.096 -0.757 1.00 0.00 O ATOM 975 CB LYS A 63 9.767 -5.260 -1.456 1.00 0.00 C ATOM 976 CG LYS A 63 9.176 -4.318 -2.521 1.00 0.00 C ATOM 977 CD LYS A 63 8.578 -3.038 -1.920 1.00 0.00 C ATOM 978 CE LYS A 63 7.225 -2.668 -2.537 1.00 0.00 C ATOM 979 NZ LYS A 63 7.338 -2.288 -3.954 1.00 0.00 N ATOM 0 H LYS A 63 8.073 -4.735 0.377 1.00 0.00 H new ATOM 0 HA LYS A 63 8.203 -6.703 -1.735 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.172 -4.665 -0.637 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.600 -5.813 -1.890 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.956 -4.049 -3.234 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.403 -4.847 -3.078 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.458 -3.169 -0.845 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.276 -2.213 -2.065 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.543 -3.513 -2.444 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.787 -1.842 -1.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.397 -2.047 -4.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.967 -1.464 -4.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.730 -3.084 -4.497 1.00 0.00 H new ATOM 993 N SER A 64 9.045 -7.710 1.099 1.00 0.00 N ATOM 994 CA SER A 64 9.537 -8.857 1.859 1.00 0.00 C ATOM 995 C SER A 64 8.493 -9.975 1.907 1.00 0.00 C ATOM 996 O SER A 64 8.853 -11.146 1.835 1.00 0.00 O ATOM 997 CB SER A 64 9.935 -8.427 3.274 1.00 0.00 C ATOM 998 OG SER A 64 11.024 -7.529 3.220 1.00 0.00 O ATOM 0 H SER A 64 8.384 -7.134 1.621 1.00 0.00 H new ATOM 0 HA SER A 64 10.420 -9.247 1.353 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.088 -7.954 3.771 1.00 0.00 H new ATOM 0 HB3 SER A 64 10.204 -9.302 3.866 1.00 0.00 H new ATOM 0 HG SER A 64 10.693 -6.623 3.045 1.00 0.00 H new ATOM 1004 N GLY A 65 7.206 -9.629 2.029 1.00 0.00 N ATOM 1005 CA GLY A 65 6.112 -10.575 2.142 1.00 0.00 C ATOM 1006 C GLY A 65 5.627 -11.091 0.787 1.00 0.00 C ATOM 1007 O GLY A 65 4.559 -11.686 0.729 1.00 0.00 O ATOM 0 H GLY A 65 6.899 -8.657 2.051 1.00 0.00 H new ATOM 0 HA2 GLY A 65 6.431 -11.419 2.753 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.280 -10.100 2.663 1.00 0.00 H new ATOM 1011 N GLY A 66 6.385 -10.867 -0.294 1.00 0.00 N ATOM 1012 CA GLY A 66 6.031 -11.286 -1.640 1.00 0.00 C ATOM 1013 C GLY A 66 6.323 -12.767 -1.890 1.00 0.00 C ATOM 1014 O GLY A 66 5.391 -13.534 -2.118 1.00 0.00 O ATOM 0 H GLY A 66 7.279 -10.378 -0.247 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.971 -11.095 -1.809 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.583 -10.684 -2.361 1.00 0.00 H new ATOM 1018 N PRO A 67 7.599 -13.191 -1.871 1.00 0.00 N ATOM 1019 CA PRO A 67 7.974 -14.582 -2.085 1.00 0.00 C ATOM 1020 C PRO A 67 7.641 -15.480 -0.883 1.00 0.00 C ATOM 1021 O PRO A 67 7.678 -16.700 -1.019 1.00 0.00 O ATOM 1022 CB PRO A 67 9.478 -14.552 -2.372 1.00 0.00 C ATOM 1023 CG PRO A 67 9.959 -13.323 -1.603 1.00 0.00 C ATOM 1024 CD PRO A 67 8.783 -12.356 -1.734 1.00 0.00 C ATOM 0 HA PRO A 67 7.409 -15.016 -2.910 1.00 0.00 H new ATOM 0 HB2 PRO A 67 9.971 -15.461 -2.027 1.00 0.00 H new ATOM 0 HB3 PRO A 67 9.682 -14.464 -3.439 1.00 0.00 H new ATOM 0 HG2 PRO A 67 10.175 -13.558 -0.561 1.00 0.00 H new ATOM 0 HG3 PRO A 67 10.872 -12.910 -2.032 1.00 0.00 H new ATOM 0 HD2 PRO A 67 8.708 -11.711 -0.859 1.00 0.00 H new ATOM 0 HD3 PRO A 67 8.906 -11.706 -2.600 1.00 0.00 H new ATOM 1032 N ARG A 68 7.330 -14.894 0.284 1.00 0.00 N ATOM 1033 CA ARG A 68 7.077 -15.629 1.517 1.00 0.00 C ATOM 1034 C ARG A 68 5.588 -15.948 1.663 1.00 0.00 C ATOM 1035 O ARG A 68 5.222 -17.105 1.862 1.00 0.00 O ATOM 1036 CB ARG A 68 7.563 -14.816 2.724 1.00 0.00 C ATOM 1037 CG ARG A 68 9.019 -14.358 2.567 1.00 0.00 C ATOM 1038 CD ARG A 68 9.558 -13.720 3.853 1.00 0.00 C ATOM 1039 NE ARG A 68 8.633 -12.719 4.407 1.00 0.00 N ATOM 1040 CZ ARG A 68 8.717 -12.192 5.639 1.00 0.00 C ATOM 1041 NH1 ARG A 68 9.782 -12.437 6.414 1.00 0.00 N ATOM 1042 NH2 ARG A 68 7.724 -11.419 6.100 1.00 0.00 N ATOM 0 H ARG A 68 7.248 -13.883 0.391 1.00 0.00 H new ATOM 0 HA ARG A 68 7.627 -16.569 1.476 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.922 -13.944 2.854 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.469 -15.419 3.627 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.641 -15.211 2.296 1.00 0.00 H new ATOM 0 HG3 ARG A 68 9.088 -13.641 1.749 1.00 0.00 H new ATOM 0 HD2 ARG A 68 9.736 -14.498 4.595 1.00 0.00 H new ATOM 0 HD3 ARG A 68 10.519 -13.249 3.648 1.00 0.00 H new ATOM 0 HE ARG A 68 7.870 -12.401 3.810 1.00 0.00 H new ATOM 0 HH11 ARG A 68 10.538 -13.028 6.069 1.00 0.00 H new ATOM 0 HH12 ARG A 68 9.837 -12.032 7.349 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.909 -11.233 5.516 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.783 -11.016 7.035 1.00 0.00 H new ATOM 1056 N SER A 69 4.744 -14.912 1.592 1.00 0.00 N ATOM 1057 CA SER A 69 3.296 -14.997 1.719 1.00 0.00 C ATOM 1058 C SER A 69 2.662 -14.602 0.390 1.00 0.00 C ATOM 1059 O SER A 69 3.202 -13.766 -0.330 1.00 0.00 O ATOM 1060 CB SER A 69 2.797 -14.099 2.866 1.00 0.00 C ATOM 1061 OG SER A 69 3.671 -13.019 3.132 1.00 0.00 O ATOM 0 H SER A 69 5.070 -13.958 1.438 1.00 0.00 H new ATOM 0 HA SER A 69 3.007 -16.020 1.962 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.810 -13.710 2.615 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.682 -14.699 3.769 1.00 0.00 H new ATOM 0 HG SER A 69 3.918 -12.583 2.290 1.00 0.00 H new ATOM 1067 N ALA A 70 1.509 -15.198 0.068 1.00 0.00 N ATOM 1068 CA ALA A 70 0.730 -14.832 -1.107 1.00 0.00 C ATOM 1069 C ALA A 70 1.516 -15.126 -2.402 1.00 0.00 C ATOM 1070 O ALA A 70 2.535 -15.814 -2.343 1.00 0.00 O ATOM 1071 CB ALA A 70 0.294 -13.369 -0.938 1.00 0.00 C ATOM 0 H ALA A 70 1.094 -15.949 0.620 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.172 -15.438 -1.199 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.293 -13.062 -1.803 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.310 -13.271 -0.036 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.176 -12.734 -0.854 1.00 0.00 H new ATOM 1077 N ARG A 71 1.057 -14.649 -3.571 1.00 0.00 N ATOM 1078 CA ARG A 71 1.762 -14.865 -4.832 1.00 0.00 C ATOM 1079 C ARG A 71 1.869 -13.543 -5.583 1.00 0.00 C ATOM 1080 O ARG A 71 1.073 -13.270 -6.475 1.00 0.00 O ATOM 1081 CB ARG A 71 1.045 -15.954 -5.642 1.00 0.00 C ATOM 1082 CG ARG A 71 1.976 -16.589 -6.686 1.00 0.00 C ATOM 1083 CD ARG A 71 1.296 -17.759 -7.406 1.00 0.00 C ATOM 1084 NE ARG A 71 2.283 -18.591 -8.110 1.00 0.00 N ATOM 1085 CZ ARG A 71 2.049 -19.820 -8.603 1.00 0.00 C ATOM 1086 NH1 ARG A 71 0.809 -20.332 -8.614 1.00 0.00 N ATOM 1087 NH2 ARG A 71 3.066 -20.548 -9.084 1.00 0.00 N ATOM 0 H ARG A 71 0.196 -14.110 -3.662 1.00 0.00 H new ATOM 0 HA ARG A 71 2.777 -15.218 -4.651 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.675 -16.726 -4.967 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.177 -15.524 -6.142 1.00 0.00 H new ATOM 0 HG2 ARG A 71 2.275 -15.836 -7.415 1.00 0.00 H new ATOM 0 HG3 ARG A 71 2.886 -16.939 -6.199 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.751 -18.367 -6.684 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.564 -17.377 -8.117 1.00 0.00 H new ATOM 0 HE ARG A 71 3.219 -18.205 -8.234 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.029 -19.788 -8.245 1.00 0.00 H new ATOM 0 HH12 ARG A 71 0.646 -21.266 -8.991 1.00 0.00 H new ATOM 0 HH21 ARG A 71 4.013 -20.169 -9.075 1.00 0.00 H new ATOM 0 HH22 ARG A 71 2.893 -21.481 -9.459 1.00 0.00 H new ATOM 1101 N VAL A 72 2.859 -12.724 -5.214 1.00 0.00 N ATOM 1102 CA VAL A 72 3.106 -11.433 -5.836 1.00 0.00 C ATOM 1103 C VAL A 72 3.788 -11.650 -7.191 1.00 0.00 C ATOM 1104 O VAL A 72 5.009 -11.788 -7.263 1.00 0.00 O ATOM 1105 CB VAL A 72 3.923 -10.552 -4.873 1.00 0.00 C ATOM 1106 CG1 VAL A 72 4.270 -9.202 -5.508 1.00 0.00 C ATOM 1107 CG2 VAL A 72 3.111 -10.281 -3.598 1.00 0.00 C ATOM 0 H VAL A 72 3.515 -12.948 -4.466 1.00 0.00 H new ATOM 0 HA VAL A 72 2.173 -10.904 -6.031 1.00 0.00 H new ATOM 0 HB VAL A 72 4.843 -11.089 -4.641 1.00 0.00 H new ATOM 0 HG11 VAL A 72 4.847 -8.605 -4.801 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.859 -9.365 -6.411 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.352 -8.674 -5.764 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.694 -9.657 -2.921 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.186 -9.767 -3.858 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.876 -11.226 -3.109 1.00 0.00 H new ATOM 1117 N GLU A 73 2.984 -11.685 -8.260 1.00 0.00 N ATOM 1118 CA GLU A 73 3.441 -11.848 -9.635 1.00 0.00 C ATOM 1119 C GLU A 73 4.299 -10.656 -10.073 1.00 0.00 C ATOM 1120 O GLU A 73 5.444 -10.843 -10.481 1.00 0.00 O ATOM 1121 CB GLU A 73 2.222 -12.024 -10.555 1.00 0.00 C ATOM 1122 CG GLU A 73 1.659 -13.452 -10.500 1.00 0.00 C ATOM 1123 CD GLU A 73 2.288 -14.373 -11.548 1.00 0.00 C ATOM 1124 OE1 GLU A 73 3.515 -14.260 -11.757 1.00 0.00 O ATOM 1125 OE2 GLU A 73 1.523 -15.176 -12.126 1.00 0.00 O ATOM 0 H GLU A 73 1.971 -11.598 -8.185 1.00 0.00 H new ATOM 0 HA GLU A 73 4.068 -12.737 -9.702 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.445 -11.317 -10.266 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.505 -11.785 -11.580 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.829 -13.868 -9.507 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.580 -13.419 -10.651 1.00 0.00 H new ATOM 1132 N ARG A 74 3.746 -9.437 -9.998 1.00 0.00 N ATOM 1133 CA ARG A 74 4.433 -8.207 -10.389 1.00 0.00 C ATOM 1134 C ARG A 74 3.854 -7.009 -9.627 1.00 0.00 C ATOM 1135 O ARG A 74 2.698 -7.054 -9.212 1.00 0.00 O ATOM 1136 CB ARG A 74 4.338 -8.001 -11.911 1.00 0.00 C ATOM 1137 CG ARG A 74 2.887 -7.950 -12.417 1.00 0.00 C ATOM 1138 CD ARG A 74 2.780 -7.376 -13.829 1.00 0.00 C ATOM 1139 NE ARG A 74 3.077 -5.937 -13.817 1.00 0.00 N ATOM 1140 CZ ARG A 74 3.496 -5.208 -14.863 1.00 0.00 C ATOM 1141 NH1 ARG A 74 3.605 -5.750 -16.083 1.00 0.00 N ATOM 1142 NH2 ARG A 74 3.812 -3.920 -14.676 1.00 0.00 N ATOM 0 H ARG A 74 2.797 -9.280 -9.659 1.00 0.00 H new ATOM 0 HA ARG A 74 5.488 -8.293 -10.128 1.00 0.00 H new ATOM 0 HB2 ARG A 74 4.844 -7.074 -12.180 1.00 0.00 H new ATOM 0 HB3 ARG A 74 4.866 -8.810 -12.416 1.00 0.00 H new ATOM 0 HG2 ARG A 74 2.465 -8.955 -12.404 1.00 0.00 H new ATOM 0 HG3 ARG A 74 2.289 -7.345 -11.736 1.00 0.00 H new ATOM 0 HD2 ARG A 74 3.474 -7.892 -14.493 1.00 0.00 H new ATOM 0 HD3 ARG A 74 1.778 -7.544 -14.223 1.00 0.00 H new ATOM 0 HE ARG A 74 2.953 -5.447 -12.931 1.00 0.00 H new ATOM 0 HH11 ARG A 74 3.368 -6.731 -16.228 1.00 0.00 H new ATOM 0 HH12 ARG A 74 3.925 -5.181 -16.867 1.00 0.00 H new ATOM 0 HH21 ARG A 74 3.733 -3.505 -13.748 1.00 0.00 H new ATOM 0 HH22 ARG A 74 4.132 -3.354 -15.462 1.00 0.00 H new ATOM 1156 N VAL A 75 4.656 -5.951 -9.425 1.00 0.00 N ATOM 1157 CA VAL A 75 4.256 -4.760 -8.670 1.00 0.00 C ATOM 1158 C VAL A 75 4.752 -3.478 -9.356 1.00 0.00 C ATOM 1159 O VAL A 75 5.914 -3.429 -9.758 1.00 0.00 O ATOM 1160 CB VAL A 75 4.817 -4.830 -7.238 1.00 0.00 C ATOM 1161 CG1 VAL A 75 4.231 -3.696 -6.384 1.00 0.00 C ATOM 1162 CG2 VAL A 75 4.488 -6.168 -6.568 1.00 0.00 C ATOM 0 H VAL A 75 5.609 -5.901 -9.786 1.00 0.00 H new ATOM 0 HA VAL A 75 3.167 -4.733 -8.634 1.00 0.00 H new ATOM 0 HB VAL A 75 5.900 -4.729 -7.309 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.635 -3.756 -5.373 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.496 -2.735 -6.824 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.146 -3.792 -6.347 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.900 -6.181 -5.559 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.406 -6.295 -6.520 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.923 -6.982 -7.148 1.00 0.00 H new ATOM 1172 N LEU A 76 3.896 -2.446 -9.465 1.00 0.00 N ATOM 1173 CA LEU A 76 4.221 -1.168 -10.109 1.00 0.00 C ATOM 1174 C LEU A 76 3.915 0.035 -9.212 1.00 0.00 C ATOM 1175 O LEU A 76 2.950 -0.031 -8.460 1.00 0.00 O ATOM 1176 CB LEU A 76 3.388 -1.048 -11.394 1.00 0.00 C ATOM 1177 CG LEU A 76 4.160 -0.383 -12.542 1.00 0.00 C ATOM 1178 CD1 LEU A 76 5.412 -1.187 -12.930 1.00 0.00 C ATOM 1179 CD2 LEU A 76 3.217 -0.272 -13.743 1.00 0.00 C ATOM 0 H LEU A 76 2.944 -2.481 -9.101 1.00 0.00 H new ATOM 0 HA LEU A 76 5.291 -1.160 -10.318 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.065 -2.041 -11.706 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.487 -0.471 -11.185 1.00 0.00 H new ATOM 0 HG LEU A 76 4.499 0.602 -12.220 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.930 -0.683 -13.746 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.077 -1.263 -12.070 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.118 -2.187 -13.250 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.741 0.198 -14.575 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.886 -1.267 -14.039 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.352 0.332 -13.471 1.00 0.00 H new ATOM 1191 N SER A 77 4.701 1.124 -9.303 1.00 0.00 N ATOM 1192 CA SER A 77 4.545 2.334 -8.479 1.00 0.00 C ATOM 1193 C SER A 77 4.533 3.622 -9.327 1.00 0.00 C ATOM 1194 O SER A 77 5.327 3.719 -10.259 1.00 0.00 O ATOM 1195 CB SER A 77 5.699 2.413 -7.465 1.00 0.00 C ATOM 1196 OG SER A 77 6.306 1.154 -7.238 1.00 0.00 O ATOM 0 H SER A 77 5.476 1.187 -9.964 1.00 0.00 H new ATOM 0 HA SER A 77 3.584 2.261 -7.969 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.450 3.115 -7.827 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.323 2.807 -6.521 1.00 0.00 H new ATOM 0 HG SER A 77 7.034 1.254 -6.589 1.00 0.00 H new ATOM 1202 N GLU A 78 3.691 4.615 -8.984 1.00 0.00 N ATOM 1203 CA GLU A 78 3.568 5.901 -9.698 1.00 0.00 C ATOM 1204 C GLU A 78 3.331 7.076 -8.730 1.00 0.00 C ATOM 1205 O GLU A 78 2.843 6.852 -7.624 1.00 0.00 O ATOM 1206 CB GLU A 78 2.401 5.828 -10.701 1.00 0.00 C ATOM 1207 CG GLU A 78 2.763 5.121 -12.017 1.00 0.00 C ATOM 1208 CD GLU A 78 3.798 5.892 -12.835 1.00 0.00 C ATOM 1209 OE1 GLU A 78 3.391 6.889 -13.469 1.00 0.00 O ATOM 1210 OE2 GLU A 78 4.977 5.478 -12.810 1.00 0.00 O ATOM 0 H GLU A 78 3.062 4.544 -8.184 1.00 0.00 H new ATOM 0 HA GLU A 78 4.508 6.078 -10.221 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.565 5.305 -10.236 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.060 6.839 -10.923 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.149 4.126 -11.796 1.00 0.00 H new ATOM 0 HG3 GLU A 78 1.860 4.988 -12.613 1.00 0.00 H new ATOM 1217 N PRO A 79 3.632 8.330 -9.132 1.00 0.00 N ATOM 1218 CA PRO A 79 3.420 9.528 -8.321 1.00 0.00 C ATOM 1219 C PRO A 79 1.930 9.855 -8.171 1.00 0.00 C ATOM 1220 O PRO A 79 1.212 9.921 -9.168 1.00 0.00 O ATOM 1221 CB PRO A 79 4.161 10.654 -9.052 1.00 0.00 C ATOM 1222 CG PRO A 79 4.117 10.215 -10.513 1.00 0.00 C ATOM 1223 CD PRO A 79 4.238 8.695 -10.408 1.00 0.00 C ATOM 0 HA PRO A 79 3.794 9.389 -7.307 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.672 11.617 -8.907 1.00 0.00 H new ATOM 0 HB3 PRO A 79 5.185 10.759 -8.695 1.00 0.00 H new ATOM 0 HG2 PRO A 79 3.189 10.515 -10.999 1.00 0.00 H new ATOM 0 HG3 PRO A 79 4.933 10.648 -11.091 1.00 0.00 H new ATOM 0 HD2 PRO A 79 3.727 8.205 -11.237 1.00 0.00 H new ATOM 0 HD3 PRO A 79 5.282 8.383 -10.448 1.00 0.00 H new ATOM 1231 N HIS A 80 1.471 10.070 -6.928 1.00 0.00 N ATOM 1232 CA HIS A 80 0.078 10.369 -6.605 1.00 0.00 C ATOM 1233 C HIS A 80 -0.034 11.722 -5.887 1.00 0.00 C ATOM 1234 O HIS A 80 0.693 11.966 -4.931 1.00 0.00 O ATOM 1235 CB HIS A 80 -0.446 9.230 -5.721 1.00 0.00 C ATOM 1236 CG HIS A 80 -1.940 9.072 -5.733 1.00 0.00 C ATOM 1237 ND1 HIS A 80 -2.627 8.645 -6.857 1.00 0.00 N ATOM 1238 CD2 HIS A 80 -2.843 9.222 -4.713 1.00 0.00 C ATOM 1239 CE1 HIS A 80 -3.914 8.544 -6.491 1.00 0.00 C ATOM 1240 NE2 HIS A 80 -4.090 8.890 -5.206 1.00 0.00 N ATOM 0 H HIS A 80 2.075 10.039 -6.107 1.00 0.00 H new ATOM 0 HA HIS A 80 -0.518 10.442 -7.515 1.00 0.00 H new ATOM 0 HB2 HIS A 80 0.009 8.295 -6.047 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -0.119 9.403 -4.696 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -2.620 9.542 -3.706 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -4.709 8.224 -7.148 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -4.972 8.905 -4.694 1.00 0.00 H new ATOM 1249 N HIS A 81 -0.920 12.621 -6.337 1.00 0.00 N ATOM 1250 CA HIS A 81 -1.047 13.944 -5.723 1.00 0.00 C ATOM 1251 C HIS A 81 -2.518 14.285 -5.436 1.00 0.00 C ATOM 1252 O HIS A 81 -3.088 15.132 -6.122 1.00 0.00 O ATOM 1253 CB HIS A 81 -0.365 14.967 -6.651 1.00 0.00 C ATOM 1254 CG HIS A 81 0.134 16.210 -5.950 1.00 0.00 C ATOM 1255 ND1 HIS A 81 -0.442 16.725 -4.797 1.00 0.00 N ATOM 1256 CD2 HIS A 81 1.229 16.980 -6.250 1.00 0.00 C ATOM 1257 CE1 HIS A 81 0.322 17.767 -4.427 1.00 0.00 C ATOM 1258 NE2 HIS A 81 1.339 17.959 -5.283 1.00 0.00 N ATOM 0 H HIS A 81 -1.554 12.455 -7.119 1.00 0.00 H new ATOM 0 HA HIS A 81 -0.550 13.965 -4.753 1.00 0.00 H new ATOM 0 HB2 HIS A 81 0.475 14.484 -7.149 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -1.070 15.261 -7.428 1.00 0.00 H new ATOM 0 HD2 HIS A 81 1.889 16.844 -7.094 1.00 0.00 H new ATOM 0 HE1 HIS A 81 0.141 18.373 -3.552 1.00 0.00 H new ATOM 0 HE2 HIS A 81 2.053 18.686 -5.229 1.00 0.00 H new ATOM 1267 N PRO A 82 -3.158 13.646 -4.441 1.00 0.00 N ATOM 1268 CA PRO A 82 -4.580 13.808 -4.173 1.00 0.00 C ATOM 1269 C PRO A 82 -4.879 15.197 -3.605 1.00 0.00 C ATOM 1270 O PRO A 82 -4.034 15.800 -2.943 1.00 0.00 O ATOM 1271 CB PRO A 82 -4.942 12.699 -3.181 1.00 0.00 C ATOM 1272 CG PRO A 82 -3.632 12.467 -2.431 1.00 0.00 C ATOM 1273 CD PRO A 82 -2.572 12.699 -3.510 1.00 0.00 C ATOM 0 HA PRO A 82 -5.174 13.729 -5.083 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.743 13.005 -2.508 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -5.281 11.797 -3.690 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.517 13.159 -1.597 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.575 11.459 -2.020 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.653 13.094 -3.077 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.313 11.766 -4.011 1.00 0.00 H new ATOM 1281 N SER A 83 -6.087 15.701 -3.883 1.00 0.00 N ATOM 1282 CA SER A 83 -6.541 17.007 -3.428 1.00 0.00 C ATOM 1283 C SER A 83 -6.859 16.973 -1.931 1.00 0.00 C ATOM 1284 O SER A 83 -7.410 15.994 -1.430 1.00 0.00 O ATOM 1285 CB SER A 83 -7.748 17.461 -4.258 1.00 0.00 C ATOM 1286 OG SER A 83 -8.812 16.535 -4.174 1.00 0.00 O ATOM 0 H SER A 83 -6.781 15.201 -4.438 1.00 0.00 H new ATOM 0 HA SER A 83 -5.743 17.735 -3.573 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.085 18.437 -3.908 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.450 17.581 -5.300 1.00 0.00 H new ATOM 0 HG SER A 83 -9.566 16.854 -4.712 1.00 0.00 H new ATOM 1292 N GLY A 84 -6.492 18.049 -1.224 1.00 0.00 N ATOM 1293 CA GLY A 84 -6.656 18.169 0.217 1.00 0.00 C ATOM 1294 C GLY A 84 -5.711 17.244 0.983 1.00 0.00 C ATOM 1295 O GLY A 84 -4.938 16.491 0.390 1.00 0.00 O ATOM 0 H GLY A 84 -6.066 18.871 -1.652 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.474 19.201 0.517 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.687 17.936 0.485 1.00 0.00 H new ATOM 1299 N GLU A 85 -5.798 17.304 2.315 1.00 0.00 N ATOM 1300 CA GLU A 85 -5.114 16.390 3.215 1.00 0.00 C ATOM 1301 C GLU A 85 -6.093 15.303 3.648 1.00 0.00 C ATOM 1302 O GLU A 85 -7.219 15.589 4.053 1.00 0.00 O ATOM 1303 CB GLU A 85 -4.549 17.140 4.428 1.00 0.00 C ATOM 1304 CG GLU A 85 -3.332 17.982 4.021 1.00 0.00 C ATOM 1305 CD GLU A 85 -2.639 18.620 5.223 1.00 0.00 C ATOM 1306 OE1 GLU A 85 -3.360 18.986 6.178 1.00 0.00 O ATOM 1307 OE2 GLU A 85 -1.395 18.733 5.165 1.00 0.00 O ATOM 0 H GLU A 85 -6.358 18.005 2.800 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.271 15.931 2.699 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -5.318 17.784 4.855 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -4.263 16.428 5.202 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.620 17.353 3.486 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -3.649 18.763 3.330 1.00 0.00 H new ATOM 1314 N LEU A 86 -5.643 14.051 3.548 1.00 0.00 N ATOM 1315 CA LEU A 86 -6.390 12.870 3.948 1.00 0.00 C ATOM 1316 C LEU A 86 -6.450 12.796 5.477 1.00 0.00 C ATOM 1317 O LEU A 86 -5.557 13.297 6.159 1.00 0.00 O ATOM 1318 CB LEU A 86 -5.684 11.637 3.357 1.00 0.00 C ATOM 1319 CG LEU A 86 -6.553 10.752 2.452 1.00 0.00 C ATOM 1320 CD1 LEU A 86 -7.074 11.493 1.215 1.00 0.00 C ATOM 1321 CD2 LEU A 86 -5.697 9.581 1.973 1.00 0.00 C ATOM 0 H LEU A 86 -4.720 13.830 3.174 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.414 12.911 3.576 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.819 11.974 2.785 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.306 11.028 4.178 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.416 10.430 3.035 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.681 10.816 0.614 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.680 12.343 1.528 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -6.231 11.848 0.622 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.292 8.936 1.327 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.840 9.960 1.417 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.347 9.010 2.833 1.00 0.00 H new ATOM 1333 N THR A 87 -7.498 12.158 6.011 1.00 0.00 N ATOM 1334 CA THR A 87 -7.681 11.956 7.439 1.00 0.00 C ATOM 1335 C THR A 87 -6.811 10.785 7.891 1.00 0.00 C ATOM 1336 O THR A 87 -5.737 11.000 8.452 1.00 0.00 O ATOM 1337 CB THR A 87 -9.174 11.738 7.755 1.00 0.00 C ATOM 1338 OG1 THR A 87 -9.847 11.189 6.635 1.00 0.00 O ATOM 1339 CG2 THR A 87 -9.836 13.057 8.158 1.00 0.00 C ATOM 0 H THR A 87 -8.251 11.764 5.447 1.00 0.00 H new ATOM 0 HA THR A 87 -7.367 12.841 7.993 1.00 0.00 H new ATOM 0 HB THR A 87 -9.243 11.037 8.587 1.00 0.00 H new ATOM 0 HG1 THR A 87 -10.793 11.056 6.855 1.00 0.00 H new ATOM 0 HG21 THR A 87 -10.889 12.883 8.377 1.00 0.00 H new ATOM 0 HG22 THR A 87 -9.342 13.456 9.044 1.00 0.00 H new ATOM 0 HG23 THR A 87 -9.749 13.773 7.340 1.00 0.00 H new ATOM 1347 N ASP A 88 -7.287 9.557 7.654 1.00 0.00 N ATOM 1348 CA ASP A 88 -6.685 8.332 8.168 1.00 0.00 C ATOM 1349 C ASP A 88 -6.607 7.284 7.058 1.00 0.00 C ATOM 1350 O ASP A 88 -7.290 7.396 6.040 1.00 0.00 O ATOM 1351 CB ASP A 88 -7.513 7.794 9.347 1.00 0.00 C ATOM 1352 CG ASP A 88 -7.822 8.864 10.393 1.00 0.00 C ATOM 1353 OD1 ASP A 88 -6.862 9.301 11.064 1.00 0.00 O ATOM 1354 OD2 ASP A 88 -9.013 9.228 10.497 1.00 0.00 O ATOM 0 H ASP A 88 -8.118 9.389 7.088 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.676 8.551 8.518 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -8.448 7.381 8.969 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -6.972 6.975 9.821 1.00 0.00 H new ATOM 1359 N PHE A 89 -5.789 6.248 7.273 1.00 0.00 N ATOM 1360 CA PHE A 89 -5.700 5.104 6.378 1.00 0.00 C ATOM 1361 C PHE A 89 -6.941 4.216 6.524 1.00 0.00 C ATOM 1362 O PHE A 89 -7.493 4.101 7.617 1.00 0.00 O ATOM 1363 CB PHE A 89 -4.406 4.333 6.660 1.00 0.00 C ATOM 1364 CG PHE A 89 -4.251 3.043 5.880 1.00 0.00 C ATOM 1365 CD1 PHE A 89 -3.785 3.066 4.552 1.00 0.00 C ATOM 1366 CD2 PHE A 89 -4.631 1.821 6.466 1.00 0.00 C ATOM 1367 CE1 PHE A 89 -3.736 1.879 3.800 1.00 0.00 C ATOM 1368 CE2 PHE A 89 -4.582 0.636 5.715 1.00 0.00 C ATOM 1369 CZ PHE A 89 -4.153 0.667 4.377 1.00 0.00 C ATOM 0 H PHE A 89 -5.169 6.186 8.080 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.670 5.447 5.344 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.558 4.980 6.436 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.361 4.105 7.725 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.464 3.998 4.110 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.961 1.795 7.494 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.379 1.898 2.781 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.874 -0.301 6.166 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.144 -0.241 3.792 1.00 0.00 H new ATOM 1379 N ARG A 90 -7.372 3.586 5.421 1.00 0.00 N ATOM 1380 CA ARG A 90 -8.495 2.651 5.399 1.00 0.00 C ATOM 1381 C ARG A 90 -8.178 1.466 4.479 1.00 0.00 C ATOM 1382 O ARG A 90 -7.047 1.315 4.028 1.00 0.00 O ATOM 1383 CB ARG A 90 -9.790 3.387 5.008 1.00 0.00 C ATOM 1384 CG ARG A 90 -9.743 3.923 3.572 1.00 0.00 C ATOM 1385 CD ARG A 90 -11.053 4.592 3.156 1.00 0.00 C ATOM 1386 NE ARG A 90 -11.338 5.764 3.992 1.00 0.00 N ATOM 1387 CZ ARG A 90 -12.529 6.378 4.076 1.00 0.00 C ATOM 1388 NH1 ARG A 90 -13.548 6.011 3.286 1.00 0.00 N ATOM 1389 NH2 ARG A 90 -12.697 7.366 4.966 1.00 0.00 N ATOM 0 H ARG A 90 -6.939 3.718 4.507 1.00 0.00 H new ATOM 0 HA ARG A 90 -8.655 2.241 6.396 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.637 2.709 5.113 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.957 4.215 5.697 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -8.927 4.640 3.481 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -9.524 3.103 2.888 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -10.995 4.893 2.110 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.872 3.877 3.236 1.00 0.00 H new ATOM 0 HE ARG A 90 -10.573 6.141 4.552 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -13.424 5.257 2.611 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -14.448 6.486 3.360 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -11.924 7.644 5.571 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -13.598 7.839 5.038 1.00 0.00 H new ATOM 1403 N ILE A 91 -9.171 0.614 4.205 1.00 0.00 N ATOM 1404 CA ILE A 91 -9.028 -0.554 3.344 1.00 0.00 C ATOM 1405 C ILE A 91 -10.167 -0.590 2.317 1.00 0.00 C ATOM 1406 O ILE A 91 -10.967 0.342 2.242 1.00 0.00 O ATOM 1407 CB ILE A 91 -8.974 -1.835 4.202 1.00 0.00 C ATOM 1408 CG1 ILE A 91 -10.254 -2.039 5.036 1.00 0.00 C ATOM 1409 CG2 ILE A 91 -7.748 -1.823 5.123 1.00 0.00 C ATOM 1410 CD1 ILE A 91 -10.730 -3.490 4.956 1.00 0.00 C ATOM 0 H ILE A 91 -10.112 0.723 4.584 1.00 0.00 H new ATOM 0 HA ILE A 91 -8.092 -0.493 2.789 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.896 -2.672 3.508 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -10.063 -1.771 6.075 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -11.038 -1.374 4.675 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -7.731 -2.736 5.718 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -6.841 -1.765 4.521 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -7.799 -0.959 5.785 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -11.635 -3.610 5.552 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -10.943 -3.746 3.918 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -9.952 -4.150 5.340 1.00 0.00 H new ATOM 1422 N ARG A 92 -10.229 -1.679 1.543 1.00 0.00 N ATOM 1423 CA ARG A 92 -11.310 -1.992 0.617 1.00 0.00 C ATOM 1424 C ARG A 92 -12.688 -1.928 1.288 1.00 0.00 C ATOM 1425 O ARG A 92 -12.764 -2.210 2.505 1.00 0.00 O ATOM 1426 CB ARG A 92 -11.080 -3.378 -0.007 1.00 0.00 C ATOM 1427 CG ARG A 92 -10.883 -4.484 1.041 1.00 0.00 C ATOM 1428 CD ARG A 92 -10.981 -5.874 0.400 1.00 0.00 C ATOM 1429 NE ARG A 92 -12.208 -6.576 0.800 1.00 0.00 N ATOM 1430 CZ ARG A 92 -12.403 -7.175 1.988 1.00 0.00 C ATOM 1431 NH1 ARG A 92 -11.440 -7.181 2.922 1.00 0.00 N ATOM 1432 NH2 ARG A 92 -13.575 -7.773 2.243 1.00 0.00 N ATOM 1433 OXT ARG A 92 -13.653 -1.618 0.557 1.00 0.00 O ATOM 0 H ARG A 92 -9.498 -2.390 1.549 1.00 0.00 H new ATOM 0 HA ARG A 92 -11.302 -1.234 -0.166 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -11.931 -3.631 -0.639 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -10.204 -3.338 -0.654 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -9.910 -4.368 1.519 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.636 -4.387 1.823 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -10.956 -5.776 -0.685 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.113 -6.468 0.686 1.00 0.00 H new ATOM 0 HE ARG A 92 -12.971 -6.612 0.124 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -10.546 -6.727 2.735 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -11.602 -7.639 3.819 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -14.312 -7.772 1.538 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -13.730 -8.229 3.142 1.00 0.00 H new TER 1447 ARG A 92