USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 852 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 35 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 85 CYS SG : rot 116:sc= 0.123 USER MOD Set 2.1: A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -137:sc= 0.0256 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 140:sc=-0.00386 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 35:sc= 0.2 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 54:sc= 0.469 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot -125:sc= 0.444 USER MOD Single : A 47 THR OG1 : rot -18:sc= 0.855 USER MOD Single : A 48 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0489) USER MOD Single : A 56 SER OG : rot -79:sc= 0.632 USER MOD Single : A 62 GLN : amide:sc= -0.362 X(o=-0.36,f=-0.84) USER MOD Single : A 63 LYS NZ :NH3+ -144:sc= -0.27 (180deg=-1.07) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.0038) USER MOD Single : A 80 SER OG : rot -61:sc= 1.1 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 131:sc= -1.67 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.094 -1.816 -24.871 1.00 0.00 N ATOM 2 CA GLY A 1 16.793 -3.001 -25.333 1.00 0.00 C ATOM 3 C GLY A 1 16.056 -4.280 -24.987 1.00 0.00 C ATOM 4 O GLY A 1 14.825 -4.306 -24.955 1.00 0.00 O ATOM 0 H1 GLY A 1 16.118 -1.088 -25.613 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.106 -2.058 -24.655 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.557 -1.452 -24.014 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.926 -2.943 -26.413 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.789 -3.028 -24.890 1.00 0.00 H new ATOM 8 N SER A 2 16.809 -5.344 -24.729 1.00 0.00 N ATOM 9 CA SER A 2 16.220 -6.634 -24.390 1.00 0.00 C ATOM 10 C SER A 2 17.290 -7.611 -23.911 1.00 0.00 C ATOM 11 O SER A 2 18.273 -7.861 -24.607 1.00 0.00 O ATOM 12 CB SER A 2 15.485 -7.217 -25.598 1.00 0.00 C ATOM 13 OG SER A 2 14.532 -8.186 -25.197 1.00 0.00 O ATOM 0 H SER A 2 17.829 -5.338 -24.748 1.00 0.00 H new ATOM 0 HA SER A 2 15.507 -6.478 -23.581 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.986 -6.417 -26.145 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.204 -7.670 -26.281 1.00 0.00 H new ATOM 0 HG SER A 2 14.075 -8.542 -25.987 1.00 0.00 H new ATOM 19 N SER A 3 17.089 -8.159 -22.717 1.00 0.00 N ATOM 20 CA SER A 3 18.038 -9.106 -22.142 1.00 0.00 C ATOM 21 C SER A 3 17.309 -10.226 -21.406 1.00 0.00 C ATOM 22 O SER A 3 16.339 -9.984 -20.688 1.00 0.00 O ATOM 23 CB SER A 3 18.991 -8.387 -21.185 1.00 0.00 C ATOM 24 OG SER A 3 19.768 -7.420 -21.870 1.00 0.00 O ATOM 0 H SER A 3 16.279 -7.964 -22.129 1.00 0.00 H new ATOM 0 HA SER A 3 18.615 -9.545 -22.956 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.420 -7.904 -20.392 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.648 -9.114 -20.707 1.00 0.00 H new ATOM 0 HG SER A 3 20.368 -6.973 -21.236 1.00 0.00 H new ATOM 30 N GLY A 4 17.784 -11.454 -21.590 1.00 0.00 N ATOM 31 CA GLY A 4 17.166 -12.594 -20.937 1.00 0.00 C ATOM 32 C GLY A 4 18.186 -13.551 -20.355 1.00 0.00 C ATOM 33 O GLY A 4 19.142 -13.937 -21.029 1.00 0.00 O ATOM 0 H GLY A 4 18.585 -11.680 -22.179 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.508 -12.241 -20.142 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.542 -13.126 -21.655 1.00 0.00 H new ATOM 37 N SER A 5 17.985 -13.936 -19.099 1.00 0.00 N ATOM 38 CA SER A 5 18.899 -14.850 -18.423 1.00 0.00 C ATOM 39 C SER A 5 18.791 -16.255 -19.008 1.00 0.00 C ATOM 40 O SER A 5 17.713 -16.691 -19.413 1.00 0.00 O ATOM 41 CB SER A 5 18.602 -14.886 -16.923 1.00 0.00 C ATOM 42 OG SER A 5 19.491 -15.758 -16.248 1.00 0.00 O ATOM 0 H SER A 5 17.197 -13.629 -18.528 1.00 0.00 H new ATOM 0 HA SER A 5 19.916 -14.488 -18.576 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.688 -13.882 -16.508 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.575 -15.212 -16.760 1.00 0.00 H new ATOM 0 HG SER A 5 19.756 -15.358 -15.394 1.00 0.00 H new ATOM 48 N SER A 6 19.918 -16.960 -19.049 1.00 0.00 N ATOM 49 CA SER A 6 19.953 -18.315 -19.587 1.00 0.00 C ATOM 50 C SER A 6 19.673 -19.341 -18.494 1.00 0.00 C ATOM 51 O SER A 6 20.334 -20.376 -18.414 1.00 0.00 O ATOM 52 CB SER A 6 21.312 -18.596 -20.230 1.00 0.00 C ATOM 53 OG SER A 6 22.348 -18.575 -19.263 1.00 0.00 O ATOM 0 H SER A 6 20.818 -16.615 -18.716 1.00 0.00 H new ATOM 0 HA SER A 6 19.176 -18.398 -20.346 1.00 0.00 H new ATOM 0 HB2 SER A 6 21.290 -19.568 -20.723 1.00 0.00 H new ATOM 0 HB3 SER A 6 21.514 -17.852 -21.000 1.00 0.00 H new ATOM 0 HG SER A 6 23.206 -18.759 -19.699 1.00 0.00 H new ATOM 59 N GLY A 7 18.686 -19.047 -17.652 1.00 0.00 N ATOM 60 CA GLY A 7 18.335 -19.953 -16.574 1.00 0.00 C ATOM 61 C GLY A 7 18.566 -19.343 -15.206 1.00 0.00 C ATOM 62 O GLY A 7 19.483 -19.741 -14.487 1.00 0.00 O ATOM 0 H GLY A 7 18.123 -18.197 -17.698 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.287 -20.238 -16.669 1.00 0.00 H new ATOM 0 HA3 GLY A 7 18.923 -20.866 -16.665 1.00 0.00 H new ATOM 66 N THR A 8 17.734 -18.371 -14.844 1.00 0.00 N ATOM 67 CA THR A 8 17.853 -17.703 -13.555 1.00 0.00 C ATOM 68 C THR A 8 17.164 -18.503 -12.455 1.00 0.00 C ATOM 69 O THR A 8 16.047 -18.989 -12.635 1.00 0.00 O ATOM 70 CB THR A 8 17.250 -16.286 -13.598 1.00 0.00 C ATOM 71 OG1 THR A 8 17.341 -15.675 -12.306 1.00 0.00 O ATOM 72 CG2 THR A 8 15.796 -16.331 -14.042 1.00 0.00 C ATOM 0 H THR A 8 16.970 -18.029 -15.427 1.00 0.00 H new ATOM 0 HA THR A 8 18.918 -17.630 -13.335 1.00 0.00 H new ATOM 0 HB THR A 8 17.816 -15.696 -14.319 1.00 0.00 H new ATOM 0 HG1 THR A 8 16.957 -14.774 -12.342 1.00 0.00 H new ATOM 0 HG21 THR A 8 15.391 -15.319 -14.065 1.00 0.00 H new ATOM 0 HG22 THR A 8 15.733 -16.770 -15.038 1.00 0.00 H new ATOM 0 HG23 THR A 8 15.220 -16.936 -13.342 1.00 0.00 H new ATOM 80 N ASP A 9 17.836 -18.635 -11.317 1.00 0.00 N ATOM 81 CA ASP A 9 17.287 -19.375 -10.186 1.00 0.00 C ATOM 82 C ASP A 9 17.002 -18.442 -9.013 1.00 0.00 C ATOM 83 O ASP A 9 17.906 -18.080 -8.261 1.00 0.00 O ATOM 84 CB ASP A 9 18.254 -20.478 -9.754 1.00 0.00 C ATOM 85 CG ASP A 9 19.679 -19.979 -9.619 1.00 0.00 C ATOM 86 OD1 ASP A 9 19.975 -19.293 -8.619 1.00 0.00 O ATOM 87 OD2 ASP A 9 20.498 -20.274 -10.515 1.00 0.00 O ATOM 0 H ASP A 9 18.762 -18.239 -11.153 1.00 0.00 H new ATOM 0 HA ASP A 9 16.348 -19.829 -10.501 1.00 0.00 H new ATOM 0 HB2 ASP A 9 17.925 -20.892 -8.801 1.00 0.00 H new ATOM 0 HB3 ASP A 9 18.224 -21.289 -10.481 1.00 0.00 H new ATOM 92 N VAL A 10 15.739 -18.056 -8.865 1.00 0.00 N ATOM 93 CA VAL A 10 15.334 -17.166 -7.783 1.00 0.00 C ATOM 94 C VAL A 10 14.753 -17.951 -6.613 1.00 0.00 C ATOM 95 O VAL A 10 13.766 -18.671 -6.763 1.00 0.00 O ATOM 96 CB VAL A 10 14.293 -16.137 -8.264 1.00 0.00 C ATOM 97 CG1 VAL A 10 13.841 -15.255 -7.109 1.00 0.00 C ATOM 98 CG2 VAL A 10 14.860 -15.295 -9.397 1.00 0.00 C ATOM 0 H VAL A 10 14.979 -18.345 -9.480 1.00 0.00 H new ATOM 0 HA VAL A 10 16.230 -16.640 -7.454 1.00 0.00 H new ATOM 0 HB VAL A 10 13.424 -16.675 -8.642 1.00 0.00 H new ATOM 0 HG11 VAL A 10 13.106 -14.534 -7.468 1.00 0.00 H new ATOM 0 HG12 VAL A 10 13.393 -15.874 -6.332 1.00 0.00 H new ATOM 0 HG13 VAL A 10 14.700 -14.724 -6.699 1.00 0.00 H new ATOM 0 HG21 VAL A 10 14.111 -14.574 -9.724 1.00 0.00 H new ATOM 0 HG22 VAL A 10 15.746 -14.765 -9.048 1.00 0.00 H new ATOM 0 HG23 VAL A 10 15.129 -15.942 -10.232 1.00 0.00 H new ATOM 108 N SER A 11 15.372 -17.807 -5.445 1.00 0.00 N ATOM 109 CA SER A 11 14.919 -18.505 -4.248 1.00 0.00 C ATOM 110 C SER A 11 13.647 -17.868 -3.696 1.00 0.00 C ATOM 111 O SER A 11 12.654 -18.552 -3.451 1.00 0.00 O ATOM 112 CB SER A 11 16.014 -18.493 -3.180 1.00 0.00 C ATOM 113 OG SER A 11 15.880 -19.596 -2.300 1.00 0.00 O ATOM 0 H SER A 11 16.189 -17.213 -5.303 1.00 0.00 H new ATOM 0 HA SER A 11 14.699 -19.537 -4.521 1.00 0.00 H new ATOM 0 HB2 SER A 11 16.993 -18.522 -3.658 1.00 0.00 H new ATOM 0 HB3 SER A 11 15.963 -17.563 -2.613 1.00 0.00 H new ATOM 0 HG SER A 11 16.593 -19.567 -1.628 1.00 0.00 H new ATOM 119 N SER A 12 13.687 -16.554 -3.503 1.00 0.00 N ATOM 120 CA SER A 12 12.540 -15.824 -2.976 1.00 0.00 C ATOM 121 C SER A 12 12.539 -14.381 -3.474 1.00 0.00 C ATOM 122 O SER A 12 13.419 -13.593 -3.127 1.00 0.00 O ATOM 123 CB SER A 12 12.552 -15.847 -1.447 1.00 0.00 C ATOM 124 OG SER A 12 13.813 -15.445 -0.940 1.00 0.00 O ATOM 0 H SER A 12 14.501 -15.973 -3.704 1.00 0.00 H new ATOM 0 HA SER A 12 11.634 -16.314 -3.332 1.00 0.00 H new ATOM 0 HB2 SER A 12 11.775 -15.185 -1.064 1.00 0.00 H new ATOM 0 HB3 SER A 12 12.318 -16.851 -1.094 1.00 0.00 H new ATOM 0 HG SER A 12 14.196 -14.757 -1.524 1.00 0.00 H new ATOM 130 N TRP A 13 11.546 -14.044 -4.288 1.00 0.00 N ATOM 131 CA TRP A 13 11.429 -12.697 -4.834 1.00 0.00 C ATOM 132 C TRP A 13 11.288 -11.667 -3.719 1.00 0.00 C ATOM 133 O TRP A 13 12.086 -10.735 -3.617 1.00 0.00 O ATOM 134 CB TRP A 13 10.231 -12.610 -5.781 1.00 0.00 C ATOM 135 CG TRP A 13 10.562 -12.982 -7.194 1.00 0.00 C ATOM 136 CD1 TRP A 13 10.112 -14.073 -7.881 1.00 0.00 C ATOM 137 CD2 TRP A 13 11.416 -12.264 -8.092 1.00 0.00 C ATOM 138 NE1 TRP A 13 10.634 -14.077 -9.152 1.00 0.00 N ATOM 139 CE2 TRP A 13 11.437 -12.977 -9.307 1.00 0.00 C ATOM 140 CE3 TRP A 13 12.163 -11.088 -7.989 1.00 0.00 C ATOM 141 CZ2 TRP A 13 12.176 -12.552 -10.407 1.00 0.00 C ATOM 142 CZ3 TRP A 13 12.897 -10.667 -9.081 1.00 0.00 C ATOM 143 CH2 TRP A 13 12.899 -11.397 -10.278 1.00 0.00 C ATOM 0 H TRP A 13 10.810 -14.685 -4.585 1.00 0.00 H new ATOM 0 HA TRP A 13 12.340 -12.478 -5.391 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.440 -13.266 -5.416 1.00 0.00 H new ATOM 0 HB3 TRP A 13 9.836 -11.594 -5.763 1.00 0.00 H new ATOM 0 HD1 TRP A 13 9.444 -14.823 -7.484 1.00 0.00 H new ATOM 0 HE1 TRP A 13 10.453 -14.784 -9.865 1.00 0.00 H new ATOM 0 HE3 TRP A 13 12.167 -10.518 -7.072 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 12.179 -13.114 -11.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 13.479 -9.760 -9.011 1.00 0.00 H new ATOM 0 HH2 TRP A 13 13.482 -11.041 -11.114 1.00 0.00 H new ATOM 154 N ILE A 14 10.269 -11.842 -2.884 1.00 0.00 N ATOM 155 CA ILE A 14 10.025 -10.929 -1.775 1.00 0.00 C ATOM 156 C ILE A 14 11.006 -11.174 -0.634 1.00 0.00 C ATOM 157 O ILE A 14 10.852 -12.120 0.140 1.00 0.00 O ATOM 158 CB ILE A 14 8.587 -11.065 -1.239 1.00 0.00 C ATOM 159 CG1 ILE A 14 7.582 -10.999 -2.391 1.00 0.00 C ATOM 160 CG2 ILE A 14 8.299 -9.978 -0.214 1.00 0.00 C ATOM 161 CD1 ILE A 14 6.322 -11.797 -2.139 1.00 0.00 C ATOM 0 H ILE A 14 9.599 -12.608 -2.955 1.00 0.00 H new ATOM 0 HA ILE A 14 10.166 -9.920 -2.161 1.00 0.00 H new ATOM 0 HB ILE A 14 8.487 -12.034 -0.750 1.00 0.00 H new ATOM 0 HG12 ILE A 14 7.314 -9.958 -2.569 1.00 0.00 H new ATOM 0 HG13 ILE A 14 8.059 -11.365 -3.300 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.279 -10.087 0.155 1.00 0.00 H new ATOM 0 HG22 ILE A 14 8.998 -10.068 0.618 1.00 0.00 H new ATOM 0 HG23 ILE A 14 8.413 -8.999 -0.680 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.655 -11.705 -2.996 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.579 -12.846 -1.990 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.822 -11.416 -1.248 1.00 0.00 H new ATOM 173 N VAL A 15 12.016 -10.316 -0.534 1.00 0.00 N ATOM 174 CA VAL A 15 13.022 -10.437 0.515 1.00 0.00 C ATOM 175 C VAL A 15 12.512 -9.869 1.834 1.00 0.00 C ATOM 176 O VAL A 15 13.000 -10.227 2.906 1.00 0.00 O ATOM 177 CB VAL A 15 14.326 -9.715 0.128 1.00 0.00 C ATOM 178 CG1 VAL A 15 14.100 -8.214 0.042 1.00 0.00 C ATOM 179 CG2 VAL A 15 15.430 -10.040 1.123 1.00 0.00 C ATOM 0 H VAL A 15 12.160 -9.529 -1.167 1.00 0.00 H new ATOM 0 HA VAL A 15 13.226 -11.501 0.636 1.00 0.00 H new ATOM 0 HB VAL A 15 14.638 -10.068 -0.855 1.00 0.00 H new ATOM 0 HG11 VAL A 15 15.032 -7.721 -0.233 1.00 0.00 H new ATOM 0 HG12 VAL A 15 13.342 -8.003 -0.712 1.00 0.00 H new ATOM 0 HG13 VAL A 15 13.763 -7.841 1.009 1.00 0.00 H new ATOM 0 HG21 VAL A 15 16.344 -9.521 0.834 1.00 0.00 H new ATOM 0 HG22 VAL A 15 15.129 -9.717 2.119 1.00 0.00 H new ATOM 0 HG23 VAL A 15 15.609 -11.115 1.129 1.00 0.00 H new ATOM 189 N TYR A 16 11.526 -8.983 1.748 1.00 0.00 N ATOM 190 CA TYR A 16 10.950 -8.363 2.936 1.00 0.00 C ATOM 191 C TYR A 16 9.668 -7.611 2.591 1.00 0.00 C ATOM 192 O TYR A 16 9.539 -7.010 1.523 1.00 0.00 O ATOM 193 CB TYR A 16 11.958 -7.408 3.578 1.00 0.00 C ATOM 194 CG TYR A 16 11.334 -6.435 4.553 1.00 0.00 C ATOM 195 CD1 TYR A 16 10.505 -5.412 4.109 1.00 0.00 C ATOM 196 CD2 TYR A 16 11.574 -6.538 5.918 1.00 0.00 C ATOM 197 CE1 TYR A 16 9.933 -4.521 4.996 1.00 0.00 C ATOM 198 CE2 TYR A 16 11.005 -5.652 6.812 1.00 0.00 C ATOM 199 CZ TYR A 16 10.185 -4.645 6.346 1.00 0.00 C ATOM 200 OH TYR A 16 9.618 -3.760 7.234 1.00 0.00 O ATOM 0 H TYR A 16 11.109 -8.678 0.869 1.00 0.00 H new ATOM 0 HA TYR A 16 10.706 -9.154 3.645 1.00 0.00 H new ATOM 0 HB2 TYR A 16 12.719 -7.991 4.096 1.00 0.00 H new ATOM 0 HB3 TYR A 16 12.466 -6.848 2.793 1.00 0.00 H new ATOM 0 HD1 TYR A 16 10.305 -5.312 3.052 1.00 0.00 H new ATOM 0 HD2 TYR A 16 12.216 -7.324 6.286 1.00 0.00 H new ATOM 0 HE1 TYR A 16 9.292 -3.731 4.634 1.00 0.00 H new ATOM 0 HE2 TYR A 16 11.201 -5.747 7.870 1.00 0.00 H new ATOM 0 HH TYR A 16 9.896 -3.988 8.146 1.00 0.00 H new ATOM 210 N PRO A 17 8.698 -7.643 3.515 1.00 0.00 N ATOM 211 CA PRO A 17 8.840 -8.355 4.789 1.00 0.00 C ATOM 212 C PRO A 17 8.853 -9.869 4.608 1.00 0.00 C ATOM 213 O PRO A 17 8.492 -10.380 3.548 1.00 0.00 O ATOM 214 CB PRO A 17 7.603 -7.921 5.578 1.00 0.00 C ATOM 215 CG PRO A 17 6.600 -7.553 4.540 1.00 0.00 C ATOM 216 CD PRO A 17 7.385 -6.987 3.389 1.00 0.00 C ATOM 0 HA PRO A 17 9.782 -8.120 5.285 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.237 -8.727 6.214 1.00 0.00 H new ATOM 0 HB3 PRO A 17 7.826 -7.076 6.230 1.00 0.00 H new ATOM 0 HG2 PRO A 17 6.023 -8.424 4.228 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.890 -6.821 4.925 1.00 0.00 H new ATOM 0 HD2 PRO A 17 6.914 -7.212 2.432 1.00 0.00 H new ATOM 0 HD3 PRO A 17 7.470 -5.902 3.455 1.00 0.00 H new ATOM 224 N SER A 18 9.271 -10.581 5.650 1.00 0.00 N ATOM 225 CA SER A 18 9.334 -12.037 5.605 1.00 0.00 C ATOM 226 C SER A 18 8.116 -12.655 6.285 1.00 0.00 C ATOM 227 O SER A 18 8.240 -13.358 7.286 1.00 0.00 O ATOM 228 CB SER A 18 10.615 -12.534 6.277 1.00 0.00 C ATOM 229 OG SER A 18 10.647 -12.168 7.646 1.00 0.00 O ATOM 0 H SER A 18 9.571 -10.173 6.535 1.00 0.00 H new ATOM 0 HA SER A 18 9.339 -12.344 4.559 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.681 -13.618 6.185 1.00 0.00 H new ATOM 0 HB3 SER A 18 11.483 -12.118 5.766 1.00 0.00 H new ATOM 0 HG SER A 18 9.830 -12.480 8.087 1.00 0.00 H new ATOM 235 N GLY A 19 6.937 -12.385 5.732 1.00 0.00 N ATOM 236 CA GLY A 19 5.713 -12.921 6.297 1.00 0.00 C ATOM 237 C GLY A 19 4.561 -11.939 6.222 1.00 0.00 C ATOM 238 O GLY A 19 4.504 -11.105 5.318 1.00 0.00 O ATOM 0 H GLY A 19 6.808 -11.805 4.903 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.442 -13.835 5.768 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.886 -13.194 7.338 1.00 0.00 H new ATOM 242 N LYS A 20 3.637 -12.039 7.172 1.00 0.00 N ATOM 243 CA LYS A 20 2.480 -11.153 7.210 1.00 0.00 C ATOM 244 C LYS A 20 2.781 -9.898 8.024 1.00 0.00 C ATOM 245 O LYS A 20 3.560 -9.937 8.977 1.00 0.00 O ATOM 246 CB LYS A 20 1.273 -11.882 7.806 1.00 0.00 C ATOM 247 CG LYS A 20 0.401 -12.564 6.767 1.00 0.00 C ATOM 248 CD LYS A 20 -1.028 -12.726 7.257 1.00 0.00 C ATOM 249 CE LYS A 20 -1.742 -11.386 7.345 1.00 0.00 C ATOM 250 NZ LYS A 20 -3.185 -11.547 7.677 1.00 0.00 N ATOM 0 H LYS A 20 3.667 -12.725 7.926 1.00 0.00 H new ATOM 0 HA LYS A 20 2.249 -10.855 6.187 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.625 -12.628 8.519 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.667 -11.168 8.365 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.407 -11.981 5.846 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.817 -13.542 6.527 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.573 -13.386 6.582 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.026 -13.203 8.237 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.262 -10.768 8.103 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.644 -10.859 6.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.636 -10.611 7.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.649 -12.116 6.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.279 -12.027 8.595 1.00 0.00 H new ATOM 264 N VAL A 21 2.159 -8.787 7.642 1.00 0.00 N ATOM 265 CA VAL A 21 2.359 -7.522 8.338 1.00 0.00 C ATOM 266 C VAL A 21 1.032 -6.811 8.578 1.00 0.00 C ATOM 267 O VAL A 21 0.100 -6.930 7.783 1.00 0.00 O ATOM 268 CB VAL A 21 3.294 -6.588 7.547 1.00 0.00 C ATOM 269 CG1 VAL A 21 3.365 -5.219 8.207 1.00 0.00 C ATOM 270 CG2 VAL A 21 4.680 -7.202 7.422 1.00 0.00 C ATOM 0 H VAL A 21 1.513 -8.738 6.855 1.00 0.00 H new ATOM 0 HA VAL A 21 2.820 -7.758 9.297 1.00 0.00 H new ATOM 0 HB VAL A 21 2.887 -6.460 6.544 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.030 -4.573 7.634 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.369 -4.778 8.238 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.747 -5.324 9.222 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.327 -6.528 6.860 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.098 -7.362 8.416 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.609 -8.156 6.900 1.00 0.00 H new ATOM 280 N TYR A 22 0.954 -6.071 9.679 1.00 0.00 N ATOM 281 CA TYR A 22 -0.260 -5.341 10.025 1.00 0.00 C ATOM 282 C TYR A 22 -0.016 -3.836 10.001 1.00 0.00 C ATOM 283 O TYR A 22 1.021 -3.355 10.457 1.00 0.00 O ATOM 284 CB TYR A 22 -0.758 -5.766 11.407 1.00 0.00 C ATOM 285 CG TYR A 22 -1.394 -7.138 11.427 1.00 0.00 C ATOM 286 CD1 TYR A 22 -0.748 -8.233 10.866 1.00 0.00 C ATOM 287 CD2 TYR A 22 -2.641 -7.339 12.006 1.00 0.00 C ATOM 288 CE1 TYR A 22 -1.325 -9.488 10.881 1.00 0.00 C ATOM 289 CE2 TYR A 22 -3.225 -8.591 12.027 1.00 0.00 C ATOM 290 CZ TYR A 22 -2.564 -9.662 11.463 1.00 0.00 C ATOM 291 OH TYR A 22 -3.142 -10.910 11.481 1.00 0.00 O ATOM 0 H TYR A 22 1.717 -5.961 10.347 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.021 -5.579 9.282 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.079 -5.753 12.105 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.482 -5.034 11.764 1.00 0.00 H new ATOM 0 HD1 TYR A 22 0.222 -8.101 10.410 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.163 -6.502 12.447 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.809 -10.328 10.440 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -4.194 -8.730 12.483 1.00 0.00 H new ATOM 0 HH TYR A 22 -4.012 -10.861 11.928 1.00 0.00 H new ATOM 301 N VAL A 23 -0.981 -3.095 9.464 1.00 0.00 N ATOM 302 CA VAL A 23 -0.874 -1.644 9.381 1.00 0.00 C ATOM 303 C VAL A 23 -2.226 -0.979 9.614 1.00 0.00 C ATOM 304 O VAL A 23 -3.218 -1.325 8.973 1.00 0.00 O ATOM 305 CB VAL A 23 -0.325 -1.199 8.012 1.00 0.00 C ATOM 306 CG1 VAL A 23 -0.052 0.297 8.007 1.00 0.00 C ATOM 307 CG2 VAL A 23 0.933 -1.980 7.664 1.00 0.00 C ATOM 0 H VAL A 23 -1.846 -3.477 9.080 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.180 -1.333 10.161 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.078 -1.409 7.252 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.335 0.593 7.032 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.977 0.836 8.209 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.682 0.535 8.777 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.308 -1.653 6.694 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.693 -1.803 8.425 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.701 -3.044 7.623 1.00 0.00 H new ATOM 317 N ALA A 24 -2.258 -0.022 10.535 1.00 0.00 N ATOM 318 CA ALA A 24 -3.488 0.694 10.851 1.00 0.00 C ATOM 319 C ALA A 24 -3.505 2.071 10.196 1.00 0.00 C ATOM 320 O ALA A 24 -2.468 2.721 10.068 1.00 0.00 O ATOM 321 CB ALA A 24 -3.651 0.822 12.358 1.00 0.00 C ATOM 0 H ALA A 24 -1.446 0.276 11.076 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.326 0.121 10.453 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.573 1.359 12.580 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.692 -0.171 12.805 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.804 1.370 12.770 1.00 0.00 H new ATOM 327 N ALA A 25 -4.690 2.509 9.783 1.00 0.00 N ATOM 328 CA ALA A 25 -4.842 3.810 9.142 1.00 0.00 C ATOM 329 C ALA A 25 -6.174 4.453 9.515 1.00 0.00 C ATOM 330 O ALA A 25 -6.991 3.852 10.212 1.00 0.00 O ATOM 331 CB ALA A 25 -4.726 3.671 7.632 1.00 0.00 C ATOM 0 H ALA A 25 -5.558 1.983 9.881 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.042 4.459 9.499 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.841 4.650 7.167 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.748 3.262 7.378 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.505 3.002 7.267 1.00 0.00 H new ATOM 337 N VAL A 26 -6.385 5.679 9.047 1.00 0.00 N ATOM 338 CA VAL A 26 -7.618 6.404 9.332 1.00 0.00 C ATOM 339 C VAL A 26 -8.151 7.092 8.080 1.00 0.00 C ATOM 340 O VAL A 26 -7.417 7.306 7.116 1.00 0.00 O ATOM 341 CB VAL A 26 -7.407 7.459 10.434 1.00 0.00 C ATOM 342 CG1 VAL A 26 -8.692 7.674 11.220 1.00 0.00 C ATOM 343 CG2 VAL A 26 -6.271 7.045 11.357 1.00 0.00 C ATOM 0 H VAL A 26 -5.719 6.191 8.469 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.345 5.669 9.678 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.135 8.403 9.962 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.524 8.423 11.994 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.477 8.018 10.547 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.997 6.735 11.683 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.136 7.802 12.130 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.511 6.089 11.823 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.351 6.947 10.780 1.00 0.00 H new ATOM 353 N ARG A 27 -9.435 7.437 8.103 1.00 0.00 N ATOM 354 CA ARG A 27 -10.068 8.101 6.970 1.00 0.00 C ATOM 355 C ARG A 27 -9.186 9.228 6.438 1.00 0.00 C ATOM 356 O ARG A 27 -8.986 10.242 7.107 1.00 0.00 O ATOM 357 CB ARG A 27 -11.434 8.657 7.375 1.00 0.00 C ATOM 358 CG ARG A 27 -12.438 8.697 6.235 1.00 0.00 C ATOM 359 CD ARG A 27 -13.863 8.538 6.741 1.00 0.00 C ATOM 360 NE ARG A 27 -14.460 9.819 7.108 1.00 0.00 N ATOM 361 CZ ARG A 27 -14.966 10.674 6.226 1.00 0.00 C ATOM 362 NH1 ARG A 27 -14.948 10.385 4.932 1.00 0.00 N ATOM 363 NH2 ARG A 27 -15.492 11.820 6.638 1.00 0.00 N ATOM 0 H ARG A 27 -10.057 7.268 8.894 1.00 0.00 H new ATOM 0 HA ARG A 27 -10.203 7.364 6.179 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -11.839 8.048 8.183 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -11.304 9.665 7.769 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -12.344 9.642 5.699 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -12.213 7.903 5.523 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -14.470 8.063 5.971 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -13.869 7.875 7.606 1.00 0.00 H new ATOM 0 HE ARG A 27 -14.490 10.071 8.096 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -14.545 9.504 4.612 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -15.337 11.043 4.257 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -15.508 12.045 7.633 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -15.880 12.476 5.960 1.00 0.00 H new ATOM 377 N LEU A 28 -8.662 9.042 5.232 1.00 0.00 N ATOM 378 CA LEU A 28 -7.801 10.042 4.609 1.00 0.00 C ATOM 379 C LEU A 28 -6.468 10.145 5.343 1.00 0.00 C ATOM 380 O LEU A 28 -5.973 11.242 5.599 1.00 0.00 O ATOM 381 CB LEU A 28 -8.496 11.405 4.597 1.00 0.00 C ATOM 382 CG LEU A 28 -9.942 11.416 4.100 1.00 0.00 C ATOM 383 CD1 LEU A 28 -10.605 12.748 4.417 1.00 0.00 C ATOM 384 CD2 LEU A 28 -9.995 11.134 2.606 1.00 0.00 C ATOM 0 H LEU A 28 -8.818 8.208 4.666 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.607 9.731 3.583 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.478 11.809 5.609 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.913 12.082 3.973 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.490 10.628 4.617 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -11.633 12.738 4.056 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.600 12.909 5.495 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.057 13.553 3.927 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.032 11.146 2.270 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.432 11.899 2.071 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.560 10.155 2.405 1.00 0.00 H new ATOM 396 N GLU A 29 -5.891 8.995 5.676 1.00 0.00 N ATOM 397 CA GLU A 29 -4.614 8.957 6.379 1.00 0.00 C ATOM 398 C GLU A 29 -3.466 8.695 5.407 1.00 0.00 C ATOM 399 O GLU A 29 -3.680 8.232 4.287 1.00 0.00 O ATOM 400 CB GLU A 29 -4.635 7.877 7.462 1.00 0.00 C ATOM 401 CG GLU A 29 -3.340 7.782 8.252 1.00 0.00 C ATOM 402 CD GLU A 29 -3.027 9.054 9.015 1.00 0.00 C ATOM 403 OE1 GLU A 29 -2.436 9.975 8.413 1.00 0.00 O ATOM 404 OE2 GLU A 29 -3.373 9.130 10.212 1.00 0.00 O ATOM 0 H GLU A 29 -6.287 8.078 5.471 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.457 9.929 6.848 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.456 8.080 8.150 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.839 6.912 6.997 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.407 6.950 8.953 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.519 7.560 7.571 1.00 0.00 H new ATOM 411 N ARG A 30 -2.248 8.997 5.845 1.00 0.00 N ATOM 412 CA ARG A 30 -1.066 8.797 5.015 1.00 0.00 C ATOM 413 C ARG A 30 -0.274 7.580 5.482 1.00 0.00 C ATOM 414 O ARG A 30 0.421 7.630 6.497 1.00 0.00 O ATOM 415 CB ARG A 30 -0.177 10.041 5.048 1.00 0.00 C ATOM 416 CG ARG A 30 1.013 9.965 4.106 1.00 0.00 C ATOM 417 CD ARG A 30 2.109 9.070 4.664 1.00 0.00 C ATOM 418 NE ARG A 30 3.407 9.351 4.057 1.00 0.00 N ATOM 419 CZ ARG A 30 4.196 10.349 4.439 1.00 0.00 C ATOM 420 NH1 ARG A 30 3.821 11.157 5.421 1.00 0.00 N ATOM 421 NH2 ARG A 30 5.363 10.541 3.838 1.00 0.00 N ATOM 0 H ARG A 30 -2.054 9.381 6.770 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.397 8.623 3.991 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.778 10.913 4.791 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.185 10.192 6.065 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.688 9.584 3.138 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.410 10.966 3.938 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.176 9.209 5.743 1.00 0.00 H new ATOM 0 HD3 ARG A 30 1.847 8.026 4.492 1.00 0.00 H new ATOM 0 HE ARG A 30 3.725 8.748 3.298 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.924 11.013 5.886 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.429 11.922 5.712 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.655 9.922 3.082 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.968 11.308 4.132 1.00 0.00 H new ATOM 435 N VAL A 31 -0.383 6.486 4.733 1.00 0.00 N ATOM 436 CA VAL A 31 0.324 5.256 5.070 1.00 0.00 C ATOM 437 C VAL A 31 1.509 5.031 4.138 1.00 0.00 C ATOM 438 O VAL A 31 1.561 5.580 3.037 1.00 0.00 O ATOM 439 CB VAL A 31 -0.611 4.034 4.998 1.00 0.00 C ATOM 440 CG1 VAL A 31 -1.821 4.234 5.898 1.00 0.00 C ATOM 441 CG2 VAL A 31 -1.041 3.777 3.561 1.00 0.00 C ATOM 0 H VAL A 31 -0.954 6.427 3.890 1.00 0.00 H new ATOM 0 HA VAL A 31 0.685 5.368 6.092 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.066 3.159 5.352 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.470 3.361 5.834 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.490 4.366 6.928 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.371 5.119 5.577 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.701 2.910 3.528 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.569 4.650 3.178 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.161 3.586 2.946 1.00 0.00 H new ATOM 451 N VAL A 32 2.461 4.218 4.585 1.00 0.00 N ATOM 452 CA VAL A 32 3.646 3.918 3.791 1.00 0.00 C ATOM 453 C VAL A 32 4.057 2.458 3.946 1.00 0.00 C ATOM 454 O VAL A 32 4.608 2.062 4.974 1.00 0.00 O ATOM 455 CB VAL A 32 4.831 4.818 4.189 1.00 0.00 C ATOM 456 CG1 VAL A 32 6.096 4.390 3.460 1.00 0.00 C ATOM 457 CG2 VAL A 32 4.511 6.278 3.904 1.00 0.00 C ATOM 0 H VAL A 32 2.434 3.755 5.494 1.00 0.00 H new ATOM 0 HA VAL A 32 3.386 4.111 2.750 1.00 0.00 H new ATOM 0 HB VAL A 32 5.003 4.709 5.260 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.922 5.037 3.754 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.334 3.358 3.719 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.940 4.467 2.384 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.359 6.899 4.191 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.312 6.406 2.840 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.633 6.576 4.476 1.00 0.00 H new ATOM 467 N LEU A 33 3.785 1.661 2.919 1.00 0.00 N ATOM 468 CA LEU A 33 4.127 0.243 2.939 1.00 0.00 C ATOM 469 C LEU A 33 5.572 0.024 2.505 1.00 0.00 C ATOM 470 O LEU A 33 6.063 0.682 1.586 1.00 0.00 O ATOM 471 CB LEU A 33 3.184 -0.543 2.026 1.00 0.00 C ATOM 472 CG LEU A 33 1.916 -1.090 2.682 1.00 0.00 C ATOM 473 CD1 LEU A 33 1.314 -0.059 3.624 1.00 0.00 C ATOM 474 CD2 LEU A 33 0.903 -1.503 1.624 1.00 0.00 C ATOM 0 H LEU A 33 3.329 1.972 2.062 1.00 0.00 H new ATOM 0 HA LEU A 33 4.016 -0.117 3.962 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.891 0.102 1.198 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.738 -1.379 1.599 1.00 0.00 H new ATOM 0 HG LEU A 33 2.184 -1.972 3.264 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.412 -0.467 4.081 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.036 0.188 4.402 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.062 0.842 3.064 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.007 -1.890 2.109 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.641 -0.638 1.014 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.335 -2.277 0.989 1.00 0.00 H new ATOM 486 N THR A 34 6.251 -0.905 3.170 1.00 0.00 N ATOM 487 CA THR A 34 7.640 -1.212 2.852 1.00 0.00 C ATOM 488 C THR A 34 7.776 -2.619 2.282 1.00 0.00 C ATOM 489 O THR A 34 7.441 -3.602 2.943 1.00 0.00 O ATOM 490 CB THR A 34 8.542 -1.084 4.095 1.00 0.00 C ATOM 491 OG1 THR A 34 8.317 0.176 4.736 1.00 0.00 O ATOM 492 CG2 THR A 34 10.009 -1.211 3.714 1.00 0.00 C ATOM 0 H THR A 34 5.861 -1.458 3.933 1.00 0.00 H new ATOM 0 HA THR A 34 7.960 -0.488 2.103 1.00 0.00 H new ATOM 0 HB THR A 34 8.291 -1.891 4.784 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.893 0.249 5.526 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.626 -1.117 4.607 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.182 -2.184 3.253 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.271 -0.423 3.008 1.00 0.00 H new ATOM 500 N CYS A 35 8.270 -2.708 1.052 1.00 0.00 N ATOM 501 CA CYS A 35 8.451 -3.996 0.392 1.00 0.00 C ATOM 502 C CYS A 35 9.778 -4.042 -0.357 1.00 0.00 C ATOM 503 O CYS A 35 9.932 -3.414 -1.404 1.00 0.00 O ATOM 504 CB CYS A 35 7.296 -4.264 -0.574 1.00 0.00 C ATOM 505 SG CYS A 35 6.983 -6.018 -0.882 1.00 0.00 S ATOM 0 H CYS A 35 8.552 -1.904 0.492 1.00 0.00 H new ATOM 0 HA CYS A 35 8.461 -4.771 1.159 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.390 -3.809 -0.175 1.00 0.00 H new ATOM 0 HB3 CYS A 35 7.509 -3.772 -1.523 1.00 0.00 H new ATOM 0 HG CYS A 35 5.988 -6.143 -1.709 1.00 0.00 H new ATOM 511 N GLU A 36 10.734 -4.789 0.187 1.00 0.00 N ATOM 512 CA GLU A 36 12.049 -4.914 -0.430 1.00 0.00 C ATOM 513 C GLU A 36 12.129 -6.170 -1.292 1.00 0.00 C ATOM 514 O GLU A 36 11.400 -7.138 -1.068 1.00 0.00 O ATOM 515 CB GLU A 36 13.139 -4.948 0.643 1.00 0.00 C ATOM 516 CG GLU A 36 14.542 -4.753 0.093 1.00 0.00 C ATOM 517 CD GLU A 36 15.471 -4.086 1.088 1.00 0.00 C ATOM 518 OE1 GLU A 36 15.681 -4.658 2.179 1.00 0.00 O ATOM 519 OE2 GLU A 36 15.989 -2.993 0.778 1.00 0.00 O ATOM 0 H GLU A 36 10.622 -5.316 1.053 1.00 0.00 H new ATOM 0 HA GLU A 36 12.206 -4.045 -1.070 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.936 -4.171 1.380 1.00 0.00 H new ATOM 0 HB3 GLU A 36 13.092 -5.903 1.166 1.00 0.00 H new ATOM 0 HG2 GLU A 36 14.955 -5.721 -0.191 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.492 -4.149 -0.813 1.00 0.00 H new ATOM 526 N LEU A 37 13.018 -6.148 -2.279 1.00 0.00 N ATOM 527 CA LEU A 37 13.193 -7.285 -3.176 1.00 0.00 C ATOM 528 C LEU A 37 14.665 -7.674 -3.281 1.00 0.00 C ATOM 529 O LEU A 37 15.552 -6.847 -3.066 1.00 0.00 O ATOM 530 CB LEU A 37 12.641 -6.954 -4.564 1.00 0.00 C ATOM 531 CG LEU A 37 11.215 -6.404 -4.605 1.00 0.00 C ATOM 532 CD1 LEU A 37 10.873 -5.912 -6.003 1.00 0.00 C ATOM 533 CD2 LEU A 37 10.221 -7.464 -4.153 1.00 0.00 C ATOM 0 H LEU A 37 13.629 -5.356 -2.478 1.00 0.00 H new ATOM 0 HA LEU A 37 12.641 -8.130 -2.764 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.303 -6.226 -5.032 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.678 -7.857 -5.173 1.00 0.00 H new ATOM 0 HG LEU A 37 11.152 -5.559 -3.919 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.854 -5.524 -6.013 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.566 -5.121 -6.290 1.00 0.00 H new ATOM 0 HD13 LEU A 37 10.954 -6.738 -6.709 1.00 0.00 H new ATOM 0 HD21 LEU A 37 9.211 -7.055 -4.189 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.286 -8.329 -4.814 1.00 0.00 H new ATOM 0 HD23 LEU A 37 10.453 -7.769 -3.133 1.00 0.00 H new ATOM 545 N CYS A 38 14.915 -8.934 -3.615 1.00 0.00 N ATOM 546 CA CYS A 38 16.280 -9.433 -3.750 1.00 0.00 C ATOM 547 C CYS A 38 16.882 -9.014 -5.088 1.00 0.00 C ATOM 548 O CYS A 38 18.012 -9.378 -5.412 1.00 0.00 O ATOM 549 CB CYS A 38 16.303 -10.957 -3.622 1.00 0.00 C ATOM 550 SG CYS A 38 15.477 -11.824 -4.976 1.00 0.00 S ATOM 0 H CYS A 38 14.192 -9.630 -3.798 1.00 0.00 H new ATOM 0 HA CYS A 38 16.880 -8.999 -2.950 1.00 0.00 H new ATOM 0 HB2 CYS A 38 17.339 -11.291 -3.570 1.00 0.00 H new ATOM 0 HB3 CYS A 38 15.829 -11.239 -2.682 1.00 0.00 H new ATOM 0 HG CYS A 38 14.576 -12.626 -4.492 1.00 0.00 H new ATOM 556 N ARG A 39 16.118 -8.248 -5.860 1.00 0.00 N ATOM 557 CA ARG A 39 16.575 -7.781 -7.164 1.00 0.00 C ATOM 558 C ARG A 39 16.163 -6.331 -7.397 1.00 0.00 C ATOM 559 O ARG A 39 15.037 -5.925 -7.109 1.00 0.00 O ATOM 560 CB ARG A 39 16.008 -8.669 -8.274 1.00 0.00 C ATOM 561 CG ARG A 39 16.901 -9.847 -8.626 1.00 0.00 C ATOM 562 CD ARG A 39 18.159 -9.396 -9.351 1.00 0.00 C ATOM 563 NE ARG A 39 18.909 -10.523 -9.900 1.00 0.00 N ATOM 564 CZ ARG A 39 19.765 -11.250 -9.192 1.00 0.00 C ATOM 565 NH1 ARG A 39 19.979 -10.971 -7.913 1.00 0.00 N ATOM 566 NH2 ARG A 39 20.410 -12.261 -9.762 1.00 0.00 N ATOM 0 H ARG A 39 15.180 -7.938 -5.605 1.00 0.00 H new ATOM 0 HA ARG A 39 17.663 -7.838 -7.182 1.00 0.00 H new ATOM 0 HB2 ARG A 39 15.032 -9.043 -7.966 1.00 0.00 H new ATOM 0 HB3 ARG A 39 15.850 -8.064 -9.167 1.00 0.00 H new ATOM 0 HG2 ARG A 39 17.176 -10.381 -7.716 1.00 0.00 H new ATOM 0 HG3 ARG A 39 16.350 -10.548 -9.253 1.00 0.00 H new ATOM 0 HD2 ARG A 39 17.888 -8.714 -10.157 1.00 0.00 H new ATOM 0 HD3 ARG A 39 18.794 -8.839 -8.662 1.00 0.00 H new ATOM 0 HE ARG A 39 18.767 -10.765 -10.881 1.00 0.00 H new ATOM 0 HH11 ARG A 39 19.485 -10.196 -7.471 1.00 0.00 H new ATOM 0 HH12 ARG A 39 20.637 -11.532 -7.372 1.00 0.00 H new ATOM 0 HH21 ARG A 39 20.248 -12.480 -10.745 1.00 0.00 H new ATOM 0 HH22 ARG A 39 21.067 -12.819 -9.217 1.00 0.00 H new ATOM 580 N PRO A 40 17.096 -5.529 -7.931 1.00 0.00 N ATOM 581 CA PRO A 40 16.854 -4.112 -8.215 1.00 0.00 C ATOM 582 C PRO A 40 15.880 -3.910 -9.371 1.00 0.00 C ATOM 583 O PRO A 40 14.903 -3.171 -9.249 1.00 0.00 O ATOM 584 CB PRO A 40 18.241 -3.582 -8.587 1.00 0.00 C ATOM 585 CG PRO A 40 18.980 -4.775 -9.087 1.00 0.00 C ATOM 586 CD PRO A 40 18.460 -5.945 -8.299 1.00 0.00 C ATOM 0 HA PRO A 40 16.400 -3.599 -7.367 1.00 0.00 H new ATOM 0 HB2 PRO A 40 18.177 -2.807 -9.351 1.00 0.00 H new ATOM 0 HB3 PRO A 40 18.740 -3.140 -7.725 1.00 0.00 H new ATOM 0 HG2 PRO A 40 18.813 -4.918 -10.155 1.00 0.00 H new ATOM 0 HG3 PRO A 40 20.054 -4.656 -8.946 1.00 0.00 H new ATOM 0 HD2 PRO A 40 18.455 -6.859 -8.893 1.00 0.00 H new ATOM 0 HD3 PRO A 40 19.072 -6.140 -7.418 1.00 0.00 H new ATOM 594 N TRP A 41 16.151 -4.572 -10.489 1.00 0.00 N ATOM 595 CA TRP A 41 15.298 -4.466 -11.667 1.00 0.00 C ATOM 596 C TRP A 41 14.120 -5.430 -11.574 1.00 0.00 C ATOM 597 O TRP A 41 13.608 -5.898 -12.591 1.00 0.00 O ATOM 598 CB TRP A 41 16.105 -4.748 -12.935 1.00 0.00 C ATOM 599 CG TRP A 41 17.176 -5.778 -12.740 1.00 0.00 C ATOM 600 CD1 TRP A 41 18.513 -5.550 -12.581 1.00 0.00 C ATOM 601 CD2 TRP A 41 17.000 -7.198 -12.686 1.00 0.00 C ATOM 602 NE1 TRP A 41 19.179 -6.743 -12.431 1.00 0.00 N ATOM 603 CE2 TRP A 41 18.273 -7.768 -12.491 1.00 0.00 C ATOM 604 CE3 TRP A 41 15.891 -8.043 -12.782 1.00 0.00 C ATOM 605 CZ2 TRP A 41 18.465 -9.144 -12.392 1.00 0.00 C ATOM 606 CZ3 TRP A 41 16.083 -9.408 -12.683 1.00 0.00 C ATOM 607 CH2 TRP A 41 17.361 -9.947 -12.489 1.00 0.00 C ATOM 0 H TRP A 41 16.955 -5.189 -10.605 1.00 0.00 H new ATOM 0 HA TRP A 41 14.909 -3.449 -11.712 1.00 0.00 H new ATOM 0 HB2 TRP A 41 15.428 -5.082 -13.721 1.00 0.00 H new ATOM 0 HB3 TRP A 41 16.561 -3.820 -13.281 1.00 0.00 H new ATOM 0 HD1 TRP A 41 18.979 -4.576 -12.574 1.00 0.00 H new ATOM 0 HE1 TRP A 41 20.185 -6.848 -12.297 1.00 0.00 H new ATOM 0 HE3 TRP A 41 14.902 -7.637 -12.931 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 19.450 -9.562 -12.244 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 15.233 -10.070 -12.756 1.00 0.00 H new ATOM 0 HH2 TRP A 41 17.478 -11.018 -12.414 1.00 0.00 H new ATOM 618 N ALA A 42 13.695 -5.722 -10.350 1.00 0.00 N ATOM 619 CA ALA A 42 12.575 -6.628 -10.126 1.00 0.00 C ATOM 620 C ALA A 42 11.250 -5.874 -10.118 1.00 0.00 C ATOM 621 O ALA A 42 10.964 -5.114 -9.193 1.00 0.00 O ATOM 622 CB ALA A 42 12.762 -7.384 -8.818 1.00 0.00 C ATOM 0 H ALA A 42 14.109 -5.344 -9.498 1.00 0.00 H new ATOM 0 HA ALA A 42 12.550 -7.344 -10.948 1.00 0.00 H new ATOM 0 HB1 ALA A 42 11.919 -8.057 -8.663 1.00 0.00 H new ATOM 0 HB2 ALA A 42 13.685 -7.963 -8.861 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.817 -6.675 -7.992 1.00 0.00 H new ATOM 628 N GLU A 43 10.447 -6.088 -11.155 1.00 0.00 N ATOM 629 CA GLU A 43 9.153 -5.425 -11.267 1.00 0.00 C ATOM 630 C GLU A 43 8.094 -6.157 -10.448 1.00 0.00 C ATOM 631 O GLU A 43 8.017 -7.386 -10.468 1.00 0.00 O ATOM 632 CB GLU A 43 8.718 -5.351 -12.733 1.00 0.00 C ATOM 633 CG GLU A 43 8.523 -6.712 -13.379 1.00 0.00 C ATOM 634 CD GLU A 43 8.746 -6.683 -14.879 1.00 0.00 C ATOM 635 OE1 GLU A 43 9.913 -6.803 -15.306 1.00 0.00 O ATOM 636 OE2 GLU A 43 7.755 -6.541 -15.624 1.00 0.00 O ATOM 0 H GLU A 43 10.669 -6.714 -11.929 1.00 0.00 H new ATOM 0 HA GLU A 43 9.257 -4.413 -10.874 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.786 -4.790 -12.799 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.466 -4.794 -13.297 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.211 -7.427 -12.927 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.513 -7.067 -13.172 1.00 0.00 H new ATOM 643 N VAL A 44 7.279 -5.393 -9.727 1.00 0.00 N ATOM 644 CA VAL A 44 6.224 -5.968 -8.900 1.00 0.00 C ATOM 645 C VAL A 44 4.861 -5.397 -9.274 1.00 0.00 C ATOM 646 O VAL A 44 4.760 -4.503 -10.114 1.00 0.00 O ATOM 647 CB VAL A 44 6.483 -5.713 -7.403 1.00 0.00 C ATOM 648 CG1 VAL A 44 7.816 -6.312 -6.982 1.00 0.00 C ATOM 649 CG2 VAL A 44 6.439 -4.223 -7.102 1.00 0.00 C ATOM 0 H VAL A 44 7.329 -4.375 -9.699 1.00 0.00 H new ATOM 0 HA VAL A 44 6.227 -7.042 -9.083 1.00 0.00 H new ATOM 0 HB VAL A 44 5.696 -6.200 -6.827 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.982 -6.122 -5.922 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.804 -7.387 -7.160 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.619 -5.857 -7.562 1.00 0.00 H new ATOM 0 HG21 VAL A 44 6.624 -4.061 -6.040 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.204 -3.711 -7.686 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.458 -3.828 -7.364 1.00 0.00 H new ATOM 659 N ARG A 45 3.814 -5.919 -8.643 1.00 0.00 N ATOM 660 CA ARG A 45 2.456 -5.461 -8.909 1.00 0.00 C ATOM 661 C ARG A 45 1.554 -5.704 -7.703 1.00 0.00 C ATOM 662 O ARG A 45 1.450 -6.827 -7.209 1.00 0.00 O ATOM 663 CB ARG A 45 1.886 -6.174 -10.137 1.00 0.00 C ATOM 664 CG ARG A 45 0.432 -5.835 -10.418 1.00 0.00 C ATOM 665 CD ARG A 45 -0.089 -6.582 -11.636 1.00 0.00 C ATOM 666 NE ARG A 45 0.642 -6.227 -12.850 1.00 0.00 N ATOM 667 CZ ARG A 45 0.672 -6.988 -13.938 1.00 0.00 C ATOM 668 NH1 ARG A 45 0.016 -8.140 -13.964 1.00 0.00 N ATOM 669 NH2 ARG A 45 1.360 -6.597 -15.003 1.00 0.00 N ATOM 0 H ARG A 45 3.880 -6.659 -7.944 1.00 0.00 H new ATOM 0 HA ARG A 45 2.493 -4.389 -9.104 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.486 -5.913 -11.009 1.00 0.00 H new ATOM 0 HB3 ARG A 45 1.979 -7.251 -9.997 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -0.176 -6.086 -9.549 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.332 -4.761 -10.578 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.008 -7.655 -11.465 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -1.147 -6.360 -11.772 1.00 0.00 H new ATOM 0 HE ARG A 45 1.157 -5.347 -12.863 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.514 -8.444 -13.147 1.00 0.00 H new ATOM 0 HH12 ARG A 45 0.041 -8.722 -14.801 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.866 -5.712 -14.986 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.383 -7.182 -15.838 1.00 0.00 H new ATOM 683 N TRP A 46 0.904 -4.645 -7.234 1.00 0.00 N ATOM 684 CA TRP A 46 0.011 -4.743 -6.085 1.00 0.00 C ATOM 685 C TRP A 46 -1.392 -5.152 -6.519 1.00 0.00 C ATOM 686 O TRP A 46 -1.937 -4.612 -7.482 1.00 0.00 O ATOM 687 CB TRP A 46 -0.041 -3.409 -5.338 1.00 0.00 C ATOM 688 CG TRP A 46 1.301 -2.945 -4.857 1.00 0.00 C ATOM 689 CD1 TRP A 46 2.283 -2.363 -5.606 1.00 0.00 C ATOM 690 CD2 TRP A 46 1.807 -3.026 -3.520 1.00 0.00 C ATOM 691 NE1 TRP A 46 3.370 -2.077 -4.815 1.00 0.00 N ATOM 692 CE2 TRP A 46 3.103 -2.473 -3.531 1.00 0.00 C ATOM 693 CE3 TRP A 46 1.291 -3.510 -2.315 1.00 0.00 C ATOM 694 CZ2 TRP A 46 3.887 -2.394 -2.384 1.00 0.00 C ATOM 695 CZ3 TRP A 46 2.071 -3.430 -1.177 1.00 0.00 C ATOM 696 CH2 TRP A 46 3.357 -2.875 -1.217 1.00 0.00 C ATOM 0 H TRP A 46 0.979 -3.709 -7.632 1.00 0.00 H new ATOM 0 HA TRP A 46 0.402 -5.510 -5.417 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.466 -2.650 -5.994 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -0.712 -3.505 -4.484 1.00 0.00 H new ATOM 0 HD1 TRP A 46 2.216 -2.158 -6.664 1.00 0.00 H new ATOM 0 HE1 TRP A 46 4.235 -1.641 -5.133 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.301 -3.939 -2.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 4.879 -1.968 -2.413 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 1.683 -3.802 -0.240 1.00 0.00 H new ATOM 0 HH2 TRP A 46 3.941 -2.826 -0.310 1.00 0.00 H new ATOM 707 N THR A 47 -1.973 -6.109 -5.803 1.00 0.00 N ATOM 708 CA THR A 47 -3.313 -6.591 -6.115 1.00 0.00 C ATOM 709 C THR A 47 -4.202 -6.583 -4.877 1.00 0.00 C ATOM 710 O THR A 47 -3.834 -7.119 -3.832 1.00 0.00 O ATOM 711 CB THR A 47 -3.276 -8.016 -6.698 1.00 0.00 C ATOM 712 OG1 THR A 47 -2.588 -8.895 -5.800 1.00 0.00 O ATOM 713 CG2 THR A 47 -2.587 -8.029 -8.054 1.00 0.00 C ATOM 0 H THR A 47 -1.536 -6.566 -5.002 1.00 0.00 H new ATOM 0 HA THR A 47 -3.727 -5.912 -6.861 1.00 0.00 H new ATOM 0 HB THR A 47 -4.303 -8.358 -6.827 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.054 -8.367 -5.170 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.573 -9.046 -8.445 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.129 -7.382 -8.744 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.564 -7.668 -7.946 1.00 0.00 H new ATOM 721 N LYS A 48 -5.376 -5.973 -5.001 1.00 0.00 N ATOM 722 CA LYS A 48 -6.320 -5.896 -3.893 1.00 0.00 C ATOM 723 C LYS A 48 -7.435 -6.925 -4.056 1.00 0.00 C ATOM 724 O LYS A 48 -8.377 -6.717 -4.821 1.00 0.00 O ATOM 725 CB LYS A 48 -6.919 -4.491 -3.802 1.00 0.00 C ATOM 726 CG LYS A 48 -7.293 -4.080 -2.388 1.00 0.00 C ATOM 727 CD LYS A 48 -7.630 -2.600 -2.308 1.00 0.00 C ATOM 728 CE LYS A 48 -8.539 -2.299 -1.127 1.00 0.00 C ATOM 729 NZ LYS A 48 -9.941 -2.735 -1.380 1.00 0.00 N ATOM 0 H LYS A 48 -5.696 -5.524 -5.859 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.779 -6.114 -2.972 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.203 -3.773 -4.203 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.807 -4.442 -4.433 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.147 -4.667 -2.051 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.467 -4.303 -1.713 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.711 -2.021 -2.218 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.116 -2.286 -3.232 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.157 -2.801 -0.238 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.523 -1.229 -0.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.566 -2.336 -0.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.245 -2.400 -2.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.992 -3.773 -1.350 1.00 0.00 H new ATOM 743 N ASP A 49 -7.321 -8.033 -3.333 1.00 0.00 N ATOM 744 CA ASP A 49 -8.321 -9.093 -3.396 1.00 0.00 C ATOM 745 C ASP A 49 -8.365 -9.717 -4.787 1.00 0.00 C ATOM 746 O ASP A 49 -9.439 -9.964 -5.334 1.00 0.00 O ATOM 747 CB ASP A 49 -9.700 -8.545 -3.025 1.00 0.00 C ATOM 748 CG ASP A 49 -9.744 -7.993 -1.613 1.00 0.00 C ATOM 749 OD1 ASP A 49 -8.889 -8.391 -0.794 1.00 0.00 O ATOM 750 OD2 ASP A 49 -10.631 -7.163 -1.328 1.00 0.00 O ATOM 0 H ASP A 49 -6.546 -8.221 -2.696 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.041 -9.866 -2.680 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.976 -7.759 -3.728 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.442 -9.338 -3.125 1.00 0.00 H new ATOM 755 N GLY A 50 -7.190 -9.967 -5.356 1.00 0.00 N ATOM 756 CA GLY A 50 -7.117 -10.559 -6.679 1.00 0.00 C ATOM 757 C GLY A 50 -7.054 -9.516 -7.777 1.00 0.00 C ATOM 758 O GLY A 50 -6.419 -9.731 -8.809 1.00 0.00 O ATOM 0 H GLY A 50 -6.287 -9.770 -4.924 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.237 -11.199 -6.739 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.987 -11.197 -6.837 1.00 0.00 H new ATOM 762 N GLU A 51 -7.714 -8.384 -7.555 1.00 0.00 N ATOM 763 CA GLU A 51 -7.732 -7.305 -8.536 1.00 0.00 C ATOM 764 C GLU A 51 -6.432 -6.508 -8.492 1.00 0.00 C ATOM 765 O GLU A 51 -5.805 -6.382 -7.440 1.00 0.00 O ATOM 766 CB GLU A 51 -8.922 -6.377 -8.285 1.00 0.00 C ATOM 767 CG GLU A 51 -10.193 -6.809 -8.997 1.00 0.00 C ATOM 768 CD GLU A 51 -11.409 -6.023 -8.547 1.00 0.00 C ATOM 769 OE1 GLU A 51 -11.357 -4.776 -8.580 1.00 0.00 O ATOM 770 OE2 GLU A 51 -12.415 -6.657 -8.162 1.00 0.00 O ATOM 0 H GLU A 51 -8.243 -8.190 -6.705 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.831 -7.750 -9.526 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.115 -6.329 -7.213 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.660 -5.369 -8.607 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.063 -6.686 -10.072 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.364 -7.870 -8.816 1.00 0.00 H new ATOM 777 N GLU A 52 -6.034 -5.972 -9.641 1.00 0.00 N ATOM 778 CA GLU A 52 -4.808 -5.188 -9.733 1.00 0.00 C ATOM 779 C GLU A 52 -5.088 -3.708 -9.487 1.00 0.00 C ATOM 780 O GLU A 52 -5.976 -3.121 -10.106 1.00 0.00 O ATOM 781 CB GLU A 52 -4.160 -5.373 -11.107 1.00 0.00 C ATOM 782 CG GLU A 52 -3.014 -4.411 -11.374 1.00 0.00 C ATOM 783 CD GLU A 52 -2.778 -4.183 -12.855 1.00 0.00 C ATOM 784 OE1 GLU A 52 -2.220 -5.086 -13.513 1.00 0.00 O ATOM 785 OE2 GLU A 52 -3.150 -3.101 -13.355 1.00 0.00 O ATOM 0 H GLU A 52 -6.542 -6.066 -10.520 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.122 -5.543 -8.964 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.792 -6.396 -11.191 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.919 -5.243 -11.878 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.226 -3.456 -10.892 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -2.103 -4.802 -10.920 1.00 0.00 H new ATOM 792 N VAL A 53 -4.325 -3.111 -8.576 1.00 0.00 N ATOM 793 CA VAL A 53 -4.490 -1.700 -8.247 1.00 0.00 C ATOM 794 C VAL A 53 -4.032 -0.810 -9.397 1.00 0.00 C ATOM 795 O VAL A 53 -3.028 -1.091 -10.051 1.00 0.00 O ATOM 796 CB VAL A 53 -3.704 -1.325 -6.977 1.00 0.00 C ATOM 797 CG1 VAL A 53 -4.094 -2.232 -5.820 1.00 0.00 C ATOM 798 CG2 VAL A 53 -2.207 -1.392 -7.237 1.00 0.00 C ATOM 0 H VAL A 53 -3.587 -3.583 -8.053 1.00 0.00 H new ATOM 0 HA VAL A 53 -5.553 -1.539 -8.068 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.956 -0.300 -6.705 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.528 -1.952 -4.931 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.160 -2.128 -5.619 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.873 -3.268 -6.079 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.668 -1.124 -6.329 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.934 -2.404 -7.535 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.945 -0.696 -8.034 1.00 0.00 H new ATOM 808 N VAL A 54 -4.774 0.266 -9.637 1.00 0.00 N ATOM 809 CA VAL A 54 -4.443 1.199 -10.707 1.00 0.00 C ATOM 810 C VAL A 54 -4.167 2.593 -10.155 1.00 0.00 C ATOM 811 O VAL A 54 -4.967 3.140 -9.396 1.00 0.00 O ATOM 812 CB VAL A 54 -5.576 1.286 -11.747 1.00 0.00 C ATOM 813 CG1 VAL A 54 -6.864 1.762 -11.095 1.00 0.00 C ATOM 814 CG2 VAL A 54 -5.178 2.204 -12.893 1.00 0.00 C ATOM 0 H VAL A 54 -5.608 0.513 -9.105 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.544 0.818 -11.191 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.750 0.290 -12.153 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.653 1.817 -11.845 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.156 1.062 -10.312 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.708 2.749 -10.659 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.990 2.254 -13.618 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.976 3.203 -12.506 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.283 1.814 -13.377 1.00 0.00 H new ATOM 824 N GLU A 55 -3.030 3.163 -10.542 1.00 0.00 N ATOM 825 CA GLU A 55 -2.649 4.494 -10.084 1.00 0.00 C ATOM 826 C GLU A 55 -3.859 5.424 -10.047 1.00 0.00 C ATOM 827 O GLU A 55 -4.754 5.329 -10.887 1.00 0.00 O ATOM 828 CB GLU A 55 -1.569 5.081 -10.995 1.00 0.00 C ATOM 829 CG GLU A 55 -0.156 4.700 -10.587 1.00 0.00 C ATOM 830 CD GLU A 55 0.796 4.640 -11.766 1.00 0.00 C ATOM 831 OE1 GLU A 55 0.738 3.651 -12.526 1.00 0.00 O ATOM 832 OE2 GLU A 55 1.598 5.584 -11.929 1.00 0.00 O ATOM 0 H GLU A 55 -2.357 2.724 -11.171 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.252 4.402 -9.073 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.746 4.746 -12.017 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.657 6.167 -10.996 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.216 5.423 -9.861 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.174 3.730 -10.090 1.00 0.00 H new ATOM 839 N SER A 56 -3.879 6.322 -9.068 1.00 0.00 N ATOM 840 CA SER A 56 -4.980 7.266 -8.918 1.00 0.00 C ATOM 841 C SER A 56 -4.621 8.366 -7.924 1.00 0.00 C ATOM 842 O SER A 56 -3.629 8.284 -7.198 1.00 0.00 O ATOM 843 CB SER A 56 -6.244 6.538 -8.456 1.00 0.00 C ATOM 844 OG SER A 56 -5.928 5.283 -7.879 1.00 0.00 O ATOM 0 H SER A 56 -3.145 6.416 -8.366 1.00 0.00 H new ATOM 0 HA SER A 56 -5.168 7.725 -9.889 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.776 7.152 -7.729 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.914 6.394 -9.303 1.00 0.00 H new ATOM 0 HG SER A 56 -5.750 4.632 -8.589 1.00 0.00 H new ATOM 850 N PRO A 57 -5.446 9.423 -7.888 1.00 0.00 N ATOM 851 CA PRO A 57 -5.237 10.561 -6.988 1.00 0.00 C ATOM 852 C PRO A 57 -5.482 10.196 -5.527 1.00 0.00 C ATOM 853 O PRO A 57 -5.410 11.051 -4.645 1.00 0.00 O ATOM 854 CB PRO A 57 -6.271 11.584 -7.464 1.00 0.00 C ATOM 855 CG PRO A 57 -7.340 10.772 -8.108 1.00 0.00 C ATOM 856 CD PRO A 57 -6.647 9.588 -8.725 1.00 0.00 C ATOM 0 HA PRO A 57 -4.210 10.925 -7.022 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -6.664 12.166 -6.631 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.833 12.291 -8.168 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -8.081 10.452 -7.376 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.869 11.352 -8.864 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -7.276 8.698 -8.705 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.388 9.772 -9.768 1.00 0.00 H new ATOM 864 N ALA A 58 -5.772 8.923 -5.280 1.00 0.00 N ATOM 865 CA ALA A 58 -6.025 8.446 -3.927 1.00 0.00 C ATOM 866 C ALA A 58 -5.082 7.304 -3.562 1.00 0.00 C ATOM 867 O ALA A 58 -5.102 6.805 -2.436 1.00 0.00 O ATOM 868 CB ALA A 58 -7.474 8.003 -3.786 1.00 0.00 C ATOM 0 H ALA A 58 -5.837 8.203 -6.000 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.840 9.269 -3.237 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -7.649 7.649 -2.770 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -8.134 8.845 -3.996 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -7.678 7.197 -4.491 1.00 0.00 H new ATOM 874 N LEU A 59 -4.259 6.894 -4.520 1.00 0.00 N ATOM 875 CA LEU A 59 -3.309 5.809 -4.300 1.00 0.00 C ATOM 876 C LEU A 59 -2.002 6.072 -5.041 1.00 0.00 C ATOM 877 O LEU A 59 -1.929 5.926 -6.263 1.00 0.00 O ATOM 878 CB LEU A 59 -3.909 4.478 -4.755 1.00 0.00 C ATOM 879 CG LEU A 59 -2.974 3.269 -4.709 1.00 0.00 C ATOM 880 CD1 LEU A 59 -3.757 2.000 -4.414 1.00 0.00 C ATOM 881 CD2 LEU A 59 -2.210 3.136 -6.018 1.00 0.00 C ATOM 0 H LEU A 59 -4.230 7.296 -5.457 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.096 5.757 -3.232 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.779 4.263 -4.134 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.269 4.595 -5.777 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.253 3.421 -3.905 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.075 1.150 -4.385 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.257 2.097 -3.450 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.501 1.842 -5.195 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.549 2.270 -5.967 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.915 3.007 -6.839 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.617 4.035 -6.186 1.00 0.00 H new ATOM 893 N LEU A 60 -0.971 6.456 -4.296 1.00 0.00 N ATOM 894 CA LEU A 60 0.335 6.736 -4.883 1.00 0.00 C ATOM 895 C LEU A 60 1.271 5.544 -4.721 1.00 0.00 C ATOM 896 O LEU A 60 1.422 5.003 -3.624 1.00 0.00 O ATOM 897 CB LEU A 60 0.952 7.976 -4.234 1.00 0.00 C ATOM 898 CG LEU A 60 0.115 9.254 -4.298 1.00 0.00 C ATOM 899 CD1 LEU A 60 0.806 10.383 -3.548 1.00 0.00 C ATOM 900 CD2 LEU A 60 -0.141 9.652 -5.745 1.00 0.00 C ATOM 0 H LEU A 60 -1.014 6.581 -3.285 1.00 0.00 H new ATOM 0 HA LEU A 60 0.195 6.922 -5.948 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.155 7.751 -3.187 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.913 8.171 -4.710 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.845 9.061 -3.819 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.196 11.284 -3.604 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.938 10.099 -2.504 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.780 10.576 -3.998 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.738 10.564 -5.771 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.810 9.826 -6.248 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.679 8.851 -6.253 1.00 0.00 H new ATOM 912 N LEU A 61 1.900 5.139 -5.819 1.00 0.00 N ATOM 913 CA LEU A 61 2.825 4.011 -5.798 1.00 0.00 C ATOM 914 C LEU A 61 4.271 4.493 -5.740 1.00 0.00 C ATOM 915 O LEU A 61 4.781 5.073 -6.699 1.00 0.00 O ATOM 916 CB LEU A 61 2.618 3.133 -7.034 1.00 0.00 C ATOM 917 CG LEU A 61 1.241 2.484 -7.173 1.00 0.00 C ATOM 918 CD1 LEU A 61 1.213 1.540 -8.365 1.00 0.00 C ATOM 919 CD2 LEU A 61 0.869 1.744 -5.896 1.00 0.00 C ATOM 0 H LEU A 61 1.786 5.575 -6.734 1.00 0.00 H new ATOM 0 HA LEU A 61 2.621 3.423 -4.903 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.803 3.739 -7.921 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.370 2.344 -7.025 1.00 0.00 H new ATOM 0 HG LEU A 61 0.505 3.271 -7.341 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.225 1.088 -8.448 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.434 2.097 -9.275 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.960 0.758 -8.227 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.114 1.288 -6.013 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.608 0.967 -5.697 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.847 2.446 -5.062 1.00 0.00 H new ATOM 931 N GLN A 62 4.927 4.248 -4.610 1.00 0.00 N ATOM 932 CA GLN A 62 6.314 4.656 -4.428 1.00 0.00 C ATOM 933 C GLN A 62 7.268 3.528 -4.807 1.00 0.00 C ATOM 934 O GLN A 62 6.947 2.350 -4.651 1.00 0.00 O ATOM 935 CB GLN A 62 6.558 5.080 -2.979 1.00 0.00 C ATOM 936 CG GLN A 62 5.727 6.278 -2.547 1.00 0.00 C ATOM 937 CD GLN A 62 5.644 7.347 -3.619 1.00 0.00 C ATOM 938 OE1 GLN A 62 6.655 7.727 -4.211 1.00 0.00 O ATOM 939 NE2 GLN A 62 4.438 7.839 -3.873 1.00 0.00 N ATOM 0 H GLN A 62 4.520 3.769 -3.807 1.00 0.00 H new ATOM 0 HA GLN A 62 6.505 5.505 -5.085 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.338 4.239 -2.321 1.00 0.00 H new ATOM 0 HB3 GLN A 62 7.614 5.316 -2.851 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.721 5.945 -2.293 1.00 0.00 H new ATOM 0 HG3 GLN A 62 6.158 6.708 -1.643 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.628 7.494 -3.358 1.00 0.00 H new ATOM 0 HE22 GLN A 62 4.321 8.562 -4.583 1.00 0.00 H new ATOM 948 N LYS A 63 8.443 3.896 -5.307 1.00 0.00 N ATOM 949 CA LYS A 63 9.445 2.916 -5.709 1.00 0.00 C ATOM 950 C LYS A 63 10.848 3.394 -5.351 1.00 0.00 C ATOM 951 O LYS A 63 11.292 4.445 -5.814 1.00 0.00 O ATOM 952 CB LYS A 63 9.354 2.649 -7.213 1.00 0.00 C ATOM 953 CG LYS A 63 7.951 2.311 -7.687 1.00 0.00 C ATOM 954 CD LYS A 63 7.165 3.562 -8.042 1.00 0.00 C ATOM 955 CE LYS A 63 7.353 3.942 -9.503 1.00 0.00 C ATOM 956 NZ LYS A 63 8.607 4.715 -9.718 1.00 0.00 N ATOM 0 H LYS A 63 8.725 4.867 -5.444 1.00 0.00 H new ATOM 0 HA LYS A 63 9.247 1.990 -5.170 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.709 3.528 -7.752 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.023 1.827 -7.469 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.008 1.657 -8.557 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.426 1.759 -6.907 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.106 3.397 -7.841 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.486 4.387 -7.406 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.374 3.039 -10.113 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.500 4.533 -9.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.450 5.435 -10.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.884 5.181 -8.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.364 4.070 -10.022 1.00 0.00 H new ATOM 970 N GLU A 64 11.542 2.616 -4.525 1.00 0.00 N ATOM 971 CA GLU A 64 12.895 2.962 -4.107 1.00 0.00 C ATOM 972 C GLU A 64 13.930 2.203 -4.932 1.00 0.00 C ATOM 973 O GLU A 64 13.585 1.470 -5.859 1.00 0.00 O ATOM 974 CB GLU A 64 13.087 2.656 -2.620 1.00 0.00 C ATOM 975 CG GLU A 64 13.937 3.683 -1.892 1.00 0.00 C ATOM 976 CD GLU A 64 13.107 4.785 -1.261 1.00 0.00 C ATOM 977 OE1 GLU A 64 12.408 4.503 -0.264 1.00 0.00 O ATOM 978 OE2 GLU A 64 13.156 5.927 -1.762 1.00 0.00 O ATOM 0 H GLU A 64 11.189 1.743 -4.133 1.00 0.00 H new ATOM 0 HA GLU A 64 13.037 4.030 -4.272 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.110 2.600 -2.140 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.550 1.675 -2.517 1.00 0.00 H new ATOM 0 HG2 GLU A 64 14.520 3.184 -1.118 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.647 4.123 -2.592 1.00 0.00 H new ATOM 985 N ASP A 65 15.200 2.385 -4.588 1.00 0.00 N ATOM 986 CA ASP A 65 16.287 1.718 -5.296 1.00 0.00 C ATOM 987 C ASP A 65 15.949 0.253 -5.554 1.00 0.00 C ATOM 988 O ASP A 65 15.690 -0.146 -6.690 1.00 0.00 O ATOM 989 CB ASP A 65 17.585 1.820 -4.494 1.00 0.00 C ATOM 990 CG ASP A 65 18.359 3.087 -4.804 1.00 0.00 C ATOM 991 OD1 ASP A 65 19.031 3.129 -5.855 1.00 0.00 O ATOM 992 OD2 ASP A 65 18.292 4.036 -3.995 1.00 0.00 O ATOM 0 H ASP A 65 15.502 2.989 -3.823 1.00 0.00 H new ATOM 0 HA ASP A 65 16.422 2.216 -6.256 1.00 0.00 H new ATOM 0 HB2 ASP A 65 17.354 1.790 -3.429 1.00 0.00 H new ATOM 0 HB3 ASP A 65 18.211 0.954 -4.709 1.00 0.00 H new ATOM 997 N THR A 66 15.952 -0.547 -4.491 1.00 0.00 N ATOM 998 CA THR A 66 15.648 -1.967 -4.603 1.00 0.00 C ATOM 999 C THR A 66 14.437 -2.339 -3.754 1.00 0.00 C ATOM 1000 O THR A 66 14.092 -3.513 -3.628 1.00 0.00 O ATOM 1001 CB THR A 66 16.847 -2.834 -4.173 1.00 0.00 C ATOM 1002 OG1 THR A 66 17.593 -2.166 -3.149 1.00 0.00 O ATOM 1003 CG2 THR A 66 17.754 -3.128 -5.358 1.00 0.00 C ATOM 0 H THR A 66 16.162 -0.234 -3.543 1.00 0.00 H new ATOM 0 HA THR A 66 15.426 -2.161 -5.653 1.00 0.00 H new ATOM 0 HB THR A 66 16.464 -3.778 -3.785 1.00 0.00 H new ATOM 0 HG1 THR A 66 18.352 -2.724 -2.880 1.00 0.00 H new ATOM 0 HG21 THR A 66 18.593 -3.741 -5.030 1.00 0.00 H new ATOM 0 HG22 THR A 66 17.191 -3.662 -6.123 1.00 0.00 H new ATOM 0 HG23 THR A 66 18.128 -2.191 -5.771 1.00 0.00 H new ATOM 1011 N VAL A 67 13.795 -1.330 -3.174 1.00 0.00 N ATOM 1012 CA VAL A 67 12.621 -1.550 -2.338 1.00 0.00 C ATOM 1013 C VAL A 67 11.452 -0.685 -2.794 1.00 0.00 C ATOM 1014 O VAL A 67 11.603 0.518 -3.008 1.00 0.00 O ATOM 1015 CB VAL A 67 12.921 -1.249 -0.858 1.00 0.00 C ATOM 1016 CG1 VAL A 67 13.709 0.045 -0.725 1.00 0.00 C ATOM 1017 CG2 VAL A 67 11.630 -1.182 -0.056 1.00 0.00 C ATOM 0 H VAL A 67 14.068 -0.352 -3.268 1.00 0.00 H new ATOM 0 HA VAL A 67 12.353 -2.602 -2.440 1.00 0.00 H new ATOM 0 HB VAL A 67 13.530 -2.059 -0.457 1.00 0.00 H new ATOM 0 HG11 VAL A 67 13.912 0.241 0.328 1.00 0.00 H new ATOM 0 HG12 VAL A 67 14.651 -0.046 -1.265 1.00 0.00 H new ATOM 0 HG13 VAL A 67 13.130 0.868 -1.142 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.861 -0.968 0.988 1.00 0.00 H new ATOM 0 HG22 VAL A 67 10.994 -0.392 -0.456 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.109 -2.137 -0.124 1.00 0.00 H new ATOM 1027 N ARG A 68 10.285 -1.305 -2.940 1.00 0.00 N ATOM 1028 CA ARG A 68 9.089 -0.592 -3.371 1.00 0.00 C ATOM 1029 C ARG A 68 8.252 -0.159 -2.171 1.00 0.00 C ATOM 1030 O ARG A 68 8.309 -0.775 -1.107 1.00 0.00 O ATOM 1031 CB ARG A 68 8.251 -1.473 -4.300 1.00 0.00 C ATOM 1032 CG ARG A 68 9.031 -2.027 -5.481 1.00 0.00 C ATOM 1033 CD ARG A 68 8.942 -1.106 -6.688 1.00 0.00 C ATOM 1034 NE ARG A 68 9.834 -1.528 -7.765 1.00 0.00 N ATOM 1035 CZ ARG A 68 9.629 -1.238 -9.045 1.00 0.00 C ATOM 1036 NH1 ARG A 68 8.568 -0.529 -9.406 1.00 0.00 N ATOM 1037 NH2 ARG A 68 10.486 -1.658 -9.967 1.00 0.00 N ATOM 0 H ARG A 68 10.143 -2.300 -2.766 1.00 0.00 H new ATOM 0 HA ARG A 68 9.404 0.300 -3.913 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.839 -2.303 -3.726 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.407 -0.893 -4.673 1.00 0.00 H new ATOM 0 HG2 ARG A 68 10.076 -2.159 -5.199 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.645 -3.012 -5.744 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.916 -1.086 -7.054 1.00 0.00 H new ATOM 0 HD3 ARG A 68 9.193 -0.089 -6.387 1.00 0.00 H new ATOM 0 HE ARG A 68 10.659 -2.075 -7.521 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.907 -0.205 -8.700 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.413 -0.308 -10.390 1.00 0.00 H new ATOM 0 HH21 ARG A 68 11.303 -2.204 -9.693 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.328 -1.435 -10.950 1.00 0.00 H new ATOM 1051 N ARG A 69 7.476 0.905 -2.351 1.00 0.00 N ATOM 1052 CA ARG A 69 6.629 1.422 -1.283 1.00 0.00 C ATOM 1053 C ARG A 69 5.305 1.936 -1.840 1.00 0.00 C ATOM 1054 O ARG A 69 5.245 2.441 -2.962 1.00 0.00 O ATOM 1055 CB ARG A 69 7.348 2.543 -0.530 1.00 0.00 C ATOM 1056 CG ARG A 69 8.525 2.061 0.302 1.00 0.00 C ATOM 1057 CD ARG A 69 8.758 2.956 1.509 1.00 0.00 C ATOM 1058 NE ARG A 69 10.163 2.984 1.906 1.00 0.00 N ATOM 1059 CZ ARG A 69 10.603 3.581 3.009 1.00 0.00 C ATOM 1060 NH1 ARG A 69 9.752 4.195 3.819 1.00 0.00 N ATOM 1061 NH2 ARG A 69 11.897 3.563 3.302 1.00 0.00 N ATOM 0 H ARG A 69 7.416 1.426 -3.226 1.00 0.00 H new ATOM 0 HA ARG A 69 6.420 0.606 -0.592 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.701 3.283 -1.248 1.00 0.00 H new ATOM 0 HB3 ARG A 69 6.635 3.046 0.123 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.342 1.039 0.635 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.423 2.039 -0.315 1.00 0.00 H new ATOM 0 HD2 ARG A 69 8.426 3.968 1.279 1.00 0.00 H new ATOM 0 HD3 ARG A 69 8.152 2.604 2.344 1.00 0.00 H new ATOM 0 HE ARG A 69 10.844 2.520 1.304 1.00 0.00 H new ATOM 0 HH11 ARG A 69 8.757 4.210 3.596 1.00 0.00 H new ATOM 0 HH12 ARG A 69 10.093 4.652 4.665 1.00 0.00 H new ATOM 0 HH21 ARG A 69 12.554 3.091 2.681 1.00 0.00 H new ATOM 0 HH22 ARG A 69 12.235 4.021 4.148 1.00 0.00 H new ATOM 1075 N LEU A 70 4.245 1.804 -1.050 1.00 0.00 N ATOM 1076 CA LEU A 70 2.921 2.254 -1.463 1.00 0.00 C ATOM 1077 C LEU A 70 2.384 3.316 -0.509 1.00 0.00 C ATOM 1078 O LEU A 70 2.005 3.014 0.623 1.00 0.00 O ATOM 1079 CB LEU A 70 1.954 1.071 -1.524 1.00 0.00 C ATOM 1080 CG LEU A 70 0.467 1.413 -1.421 1.00 0.00 C ATOM 1081 CD1 LEU A 70 0.061 2.370 -2.531 1.00 0.00 C ATOM 1082 CD2 LEU A 70 -0.376 0.147 -1.471 1.00 0.00 C ATOM 0 H LEU A 70 4.277 1.389 -0.119 1.00 0.00 H new ATOM 0 HA LEU A 70 3.008 2.695 -2.456 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.120 0.540 -2.461 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.204 0.381 -0.718 1.00 0.00 H new ATOM 0 HG LEU A 70 0.292 1.904 -0.464 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.000 2.602 -2.441 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.641 3.289 -2.449 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.251 1.906 -3.499 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.431 0.409 -1.396 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.197 -0.372 -2.412 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.104 -0.504 -0.640 1.00 0.00 H new ATOM 1094 N VAL A 71 2.352 4.561 -0.974 1.00 0.00 N ATOM 1095 CA VAL A 71 1.858 5.667 -0.163 1.00 0.00 C ATOM 1096 C VAL A 71 0.466 6.099 -0.611 1.00 0.00 C ATOM 1097 O VAL A 71 0.197 6.220 -1.807 1.00 0.00 O ATOM 1098 CB VAL A 71 2.806 6.880 -0.231 1.00 0.00 C ATOM 1099 CG1 VAL A 71 2.152 8.104 0.391 1.00 0.00 C ATOM 1100 CG2 VAL A 71 4.126 6.563 0.456 1.00 0.00 C ATOM 0 H VAL A 71 2.662 4.829 -1.908 1.00 0.00 H new ATOM 0 HA VAL A 71 1.811 5.309 0.865 1.00 0.00 H new ATOM 0 HB VAL A 71 3.012 7.101 -1.278 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.836 8.951 0.334 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.236 8.341 -0.149 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.915 7.899 1.435 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.784 7.430 0.399 1.00 0.00 H new ATOM 0 HG22 VAL A 71 3.942 6.316 1.501 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.600 5.715 -0.039 1.00 0.00 H new ATOM 1110 N LEU A 72 -0.415 6.329 0.356 1.00 0.00 N ATOM 1111 CA LEU A 72 -1.781 6.748 0.062 1.00 0.00 C ATOM 1112 C LEU A 72 -2.090 8.093 0.711 1.00 0.00 C ATOM 1113 O LEU A 72 -2.255 8.200 1.927 1.00 0.00 O ATOM 1114 CB LEU A 72 -2.775 5.693 0.549 1.00 0.00 C ATOM 1115 CG LEU A 72 -2.786 4.373 -0.222 1.00 0.00 C ATOM 1116 CD1 LEU A 72 -1.566 3.538 0.132 1.00 0.00 C ATOM 1117 CD2 LEU A 72 -4.065 3.599 0.061 1.00 0.00 C ATOM 0 H LEU A 72 -0.208 6.233 1.350 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.877 6.857 -1.018 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.561 5.477 1.596 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.777 6.121 0.510 1.00 0.00 H new ATOM 0 HG LEU A 72 -2.750 4.598 -1.288 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.591 2.602 -0.426 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.661 4.089 -0.124 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.570 3.323 1.201 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.054 2.662 -0.497 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.133 3.385 1.128 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.926 4.194 -0.245 1.00 0.00 H new ATOM 1129 N PRO A 73 -2.172 9.146 -0.116 1.00 0.00 N ATOM 1130 CA PRO A 73 -2.465 10.502 0.355 1.00 0.00 C ATOM 1131 C PRO A 73 -3.902 10.649 0.843 1.00 0.00 C ATOM 1132 O PRO A 73 -4.242 11.620 1.519 1.00 0.00 O ATOM 1133 CB PRO A 73 -2.230 11.367 -0.886 1.00 0.00 C ATOM 1134 CG PRO A 73 -2.449 10.446 -2.036 1.00 0.00 C ATOM 1135 CD PRO A 73 -1.987 9.092 -1.576 1.00 0.00 C ATOM 0 HA PRO A 73 -1.846 10.780 1.208 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.920 12.210 -0.917 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.221 11.780 -0.896 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.500 10.423 -2.323 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -1.887 10.774 -2.911 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.575 8.292 -2.026 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -0.946 8.911 -1.843 1.00 0.00 H new ATOM 1143 N ALA A 74 -4.742 9.680 0.496 1.00 0.00 N ATOM 1144 CA ALA A 74 -6.142 9.701 0.901 1.00 0.00 C ATOM 1145 C ALA A 74 -6.746 8.301 0.862 1.00 0.00 C ATOM 1146 O ALA A 74 -7.004 7.755 -0.211 1.00 0.00 O ATOM 1147 CB ALA A 74 -6.935 10.645 0.009 1.00 0.00 C ATOM 0 H ALA A 74 -4.477 8.870 -0.065 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.192 10.061 1.929 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.979 10.651 0.323 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.526 11.652 0.090 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.869 10.309 -1.026 1.00 0.00 H new ATOM 1153 N VAL A 75 -6.968 7.724 2.038 1.00 0.00 N ATOM 1154 CA VAL A 75 -7.542 6.387 2.139 1.00 0.00 C ATOM 1155 C VAL A 75 -9.003 6.447 2.570 1.00 0.00 C ATOM 1156 O VAL A 75 -9.454 7.445 3.131 1.00 0.00 O ATOM 1157 CB VAL A 75 -6.759 5.514 3.137 1.00 0.00 C ATOM 1158 CG1 VAL A 75 -5.272 5.827 3.069 1.00 0.00 C ATOM 1159 CG2 VAL A 75 -7.290 5.712 4.548 1.00 0.00 C ATOM 0 H VAL A 75 -6.759 8.162 2.935 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.477 5.939 1.147 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.898 4.468 2.865 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.735 5.200 3.781 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.904 5.629 2.062 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.109 6.876 3.315 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.725 5.088 5.240 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.183 6.759 4.833 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.343 5.432 4.583 1.00 0.00 H new ATOM 1169 N GLN A 76 -9.738 5.372 2.303 1.00 0.00 N ATOM 1170 CA GLN A 76 -11.149 5.303 2.663 1.00 0.00 C ATOM 1171 C GLN A 76 -11.469 3.984 3.359 1.00 0.00 C ATOM 1172 O GLN A 76 -10.836 2.961 3.094 1.00 0.00 O ATOM 1173 CB GLN A 76 -12.023 5.463 1.418 1.00 0.00 C ATOM 1174 CG GLN A 76 -12.073 6.886 0.888 1.00 0.00 C ATOM 1175 CD GLN A 76 -12.275 6.943 -0.613 1.00 0.00 C ATOM 1176 OE1 GLN A 76 -13.145 6.265 -1.161 1.00 0.00 O ATOM 1177 NE2 GLN A 76 -11.470 7.755 -1.289 1.00 0.00 N ATOM 0 H GLN A 76 -9.380 4.537 1.839 1.00 0.00 H new ATOM 0 HA GLN A 76 -11.362 6.118 3.354 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -11.648 4.805 0.634 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -13.036 5.135 1.651 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -12.883 7.425 1.380 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -11.146 7.398 1.146 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -10.762 8.299 -0.795 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -11.559 7.835 -2.302 1.00 0.00 H new ATOM 1186 N LEU A 77 -12.455 4.015 4.249 1.00 0.00 N ATOM 1187 CA LEU A 77 -12.859 2.821 4.983 1.00 0.00 C ATOM 1188 C LEU A 77 -13.067 1.643 4.037 1.00 0.00 C ATOM 1189 O LEU A 77 -12.899 0.487 4.424 1.00 0.00 O ATOM 1190 CB LEU A 77 -14.144 3.092 5.768 1.00 0.00 C ATOM 1191 CG LEU A 77 -14.074 4.215 6.803 1.00 0.00 C ATOM 1192 CD1 LEU A 77 -15.453 4.494 7.382 1.00 0.00 C ATOM 1193 CD2 LEU A 77 -13.091 3.860 7.909 1.00 0.00 C ATOM 0 H LEU A 77 -12.989 4.853 4.480 1.00 0.00 H new ATOM 0 HA LEU A 77 -12.061 2.566 5.680 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -14.937 3.328 5.058 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.436 2.173 6.277 1.00 0.00 H new ATOM 0 HG LEU A 77 -13.721 5.119 6.307 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -15.384 5.296 8.117 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -16.130 4.793 6.582 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -15.835 3.593 7.863 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -13.054 4.671 8.637 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -13.414 2.944 8.403 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -12.100 3.711 7.481 1.00 0.00 H new ATOM 1205 N GLU A 78 -13.431 1.946 2.795 1.00 0.00 N ATOM 1206 CA GLU A 78 -13.659 0.911 1.793 1.00 0.00 C ATOM 1207 C GLU A 78 -12.352 0.219 1.418 1.00 0.00 C ATOM 1208 O GLU A 78 -12.330 -0.980 1.140 1.00 0.00 O ATOM 1209 CB GLU A 78 -14.306 1.514 0.544 1.00 0.00 C ATOM 1210 CG GLU A 78 -15.593 2.269 0.829 1.00 0.00 C ATOM 1211 CD GLU A 78 -16.559 2.237 -0.340 1.00 0.00 C ATOM 1212 OE1 GLU A 78 -17.015 1.133 -0.703 1.00 0.00 O ATOM 1213 OE2 GLU A 78 -16.859 3.317 -0.891 1.00 0.00 O ATOM 0 H GLU A 78 -13.574 2.898 2.459 1.00 0.00 H new ATOM 0 HA GLU A 78 -14.333 0.169 2.221 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -13.596 2.190 0.068 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.513 0.716 -0.169 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -16.076 1.839 1.706 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -15.356 3.305 1.072 1.00 0.00 H new ATOM 1220 N ASP A 79 -11.265 0.983 1.412 1.00 0.00 N ATOM 1221 CA ASP A 79 -9.954 0.444 1.072 1.00 0.00 C ATOM 1222 C ASP A 79 -9.562 -0.678 2.029 1.00 0.00 C ATOM 1223 O ASP A 79 -8.941 -1.662 1.627 1.00 0.00 O ATOM 1224 CB ASP A 79 -8.899 1.551 1.106 1.00 0.00 C ATOM 1225 CG ASP A 79 -8.870 2.363 -0.173 1.00 0.00 C ATOM 1226 OD1 ASP A 79 -9.825 3.132 -0.409 1.00 0.00 O ATOM 1227 OD2 ASP A 79 -7.893 2.229 -0.940 1.00 0.00 O ATOM 0 H ASP A 79 -11.266 1.977 1.639 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.008 0.035 0.063 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.098 2.213 1.949 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -7.917 1.108 1.274 1.00 0.00 H new ATOM 1232 N SER A 80 -9.929 -0.522 3.297 1.00 0.00 N ATOM 1233 CA SER A 80 -9.613 -1.520 4.313 1.00 0.00 C ATOM 1234 C SER A 80 -9.864 -2.930 3.787 1.00 0.00 C ATOM 1235 O SER A 80 -10.998 -3.297 3.481 1.00 0.00 O ATOM 1236 CB SER A 80 -10.445 -1.277 5.573 1.00 0.00 C ATOM 1237 OG SER A 80 -11.821 -1.516 5.329 1.00 0.00 O ATOM 0 H SER A 80 -10.445 0.286 3.645 1.00 0.00 H new ATOM 0 HA SER A 80 -8.556 -1.427 4.561 1.00 0.00 H new ATOM 0 HB2 SER A 80 -10.096 -1.928 6.374 1.00 0.00 H new ATOM 0 HB3 SER A 80 -10.305 -0.251 5.913 1.00 0.00 H new ATOM 0 HG SER A 80 -12.141 -0.903 4.635 1.00 0.00 H new ATOM 1243 N GLY A 81 -8.797 -3.716 3.684 1.00 0.00 N ATOM 1244 CA GLY A 81 -8.922 -5.076 3.195 1.00 0.00 C ATOM 1245 C GLY A 81 -7.627 -5.855 3.311 1.00 0.00 C ATOM 1246 O GLY A 81 -7.027 -5.917 4.383 1.00 0.00 O ATOM 0 H GLY A 81 -7.848 -3.435 3.931 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -9.703 -5.590 3.755 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.238 -5.056 2.152 1.00 0.00 H new ATOM 1250 N GLU A 82 -7.196 -6.453 2.204 1.00 0.00 N ATOM 1251 CA GLU A 82 -5.965 -7.234 2.188 1.00 0.00 C ATOM 1252 C GLU A 82 -5.103 -6.867 0.984 1.00 0.00 C ATOM 1253 O GLU A 82 -5.399 -7.255 -0.146 1.00 0.00 O ATOM 1254 CB GLU A 82 -6.285 -8.731 2.163 1.00 0.00 C ATOM 1255 CG GLU A 82 -5.229 -9.590 2.837 1.00 0.00 C ATOM 1256 CD GLU A 82 -5.731 -10.983 3.163 1.00 0.00 C ATOM 1257 OE1 GLU A 82 -5.704 -11.849 2.263 1.00 0.00 O ATOM 1258 OE2 GLU A 82 -6.151 -11.208 4.317 1.00 0.00 O ATOM 0 H GLU A 82 -7.681 -6.411 1.308 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.407 -7.004 3.096 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.244 -8.897 2.654 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.397 -9.053 1.128 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.358 -9.665 2.187 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.901 -9.102 3.755 1.00 0.00 H new ATOM 1265 N TYR A 83 -4.037 -6.116 1.235 1.00 0.00 N ATOM 1266 CA TYR A 83 -3.133 -5.693 0.172 1.00 0.00 C ATOM 1267 C TYR A 83 -2.090 -6.769 -0.117 1.00 0.00 C ATOM 1268 O TYR A 83 -1.194 -7.015 0.691 1.00 0.00 O ATOM 1269 CB TYR A 83 -2.439 -4.384 0.555 1.00 0.00 C ATOM 1270 CG TYR A 83 -3.284 -3.156 0.309 1.00 0.00 C ATOM 1271 CD1 TYR A 83 -4.143 -2.671 1.288 1.00 0.00 C ATOM 1272 CD2 TYR A 83 -3.226 -2.479 -0.904 1.00 0.00 C ATOM 1273 CE1 TYR A 83 -4.918 -1.550 1.067 1.00 0.00 C ATOM 1274 CE2 TYR A 83 -3.996 -1.356 -1.133 1.00 0.00 C ATOM 1275 CZ TYR A 83 -4.841 -0.895 -0.144 1.00 0.00 C ATOM 1276 OH TYR A 83 -5.611 0.223 -0.369 1.00 0.00 O ATOM 0 H TYR A 83 -3.777 -5.787 2.165 1.00 0.00 H new ATOM 0 HA TYR A 83 -3.723 -5.533 -0.730 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -2.167 -4.422 1.610 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -1.511 -4.296 -0.010 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -4.205 -3.180 2.238 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -2.567 -2.838 -1.681 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -5.581 -1.188 1.839 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -3.937 -0.841 -2.081 1.00 0.00 H new ATOM 0 HH TYR A 83 -5.437 0.564 -1.271 1.00 0.00 H new ATOM 1286 N LEU A 84 -2.214 -7.406 -1.276 1.00 0.00 N ATOM 1287 CA LEU A 84 -1.283 -8.456 -1.675 1.00 0.00 C ATOM 1288 C LEU A 84 -0.390 -7.986 -2.818 1.00 0.00 C ATOM 1289 O LEU A 84 -0.862 -7.749 -3.931 1.00 0.00 O ATOM 1290 CB LEU A 84 -2.049 -9.712 -2.094 1.00 0.00 C ATOM 1291 CG LEU A 84 -2.238 -10.776 -1.012 1.00 0.00 C ATOM 1292 CD1 LEU A 84 -0.949 -11.555 -0.800 1.00 0.00 C ATOM 1293 CD2 LEU A 84 -2.697 -10.137 0.290 1.00 0.00 C ATOM 0 H LEU A 84 -2.950 -7.214 -1.956 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.651 -8.692 -0.819 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.033 -9.410 -2.454 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.527 -10.167 -2.936 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.009 -11.471 -1.343 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.102 -12.308 -0.027 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.662 -12.044 -1.731 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.158 -10.872 -0.490 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.826 -10.909 1.048 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.949 -9.419 0.627 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.645 -9.624 0.129 1.00 0.00 H new ATOM 1305 N CYS A 85 0.902 -7.856 -2.537 1.00 0.00 N ATOM 1306 CA CYS A 85 1.862 -7.415 -3.543 1.00 0.00 C ATOM 1307 C CYS A 85 2.519 -8.610 -4.228 1.00 0.00 C ATOM 1308 O CYS A 85 3.354 -9.294 -3.637 1.00 0.00 O ATOM 1309 CB CYS A 85 2.931 -6.528 -2.903 1.00 0.00 C ATOM 1310 SG CYS A 85 4.231 -6.000 -4.044 1.00 0.00 S ATOM 0 H CYS A 85 1.309 -8.049 -1.622 1.00 0.00 H new ATOM 0 HA CYS A 85 1.324 -6.838 -4.295 1.00 0.00 H new ATOM 0 HB2 CYS A 85 2.451 -5.645 -2.482 1.00 0.00 H new ATOM 0 HB3 CYS A 85 3.388 -7.068 -2.074 1.00 0.00 H new ATOM 0 HG CYS A 85 4.196 -4.707 -4.173 1.00 0.00 H new ATOM 1316 N GLU A 86 2.133 -8.855 -5.476 1.00 0.00 N ATOM 1317 CA GLU A 86 2.683 -9.969 -6.240 1.00 0.00 C ATOM 1318 C GLU A 86 3.835 -9.505 -7.126 1.00 0.00 C ATOM 1319 O GLU A 86 3.862 -8.360 -7.579 1.00 0.00 O ATOM 1320 CB GLU A 86 1.593 -10.614 -7.099 1.00 0.00 C ATOM 1321 CG GLU A 86 0.274 -10.804 -6.368 1.00 0.00 C ATOM 1322 CD GLU A 86 -0.510 -11.997 -6.878 1.00 0.00 C ATOM 1323 OE1 GLU A 86 0.082 -13.090 -6.997 1.00 0.00 O ATOM 1324 OE2 GLU A 86 -1.716 -11.837 -7.160 1.00 0.00 O ATOM 0 H GLU A 86 1.442 -8.298 -5.979 1.00 0.00 H new ATOM 0 HA GLU A 86 3.065 -10.707 -5.534 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.424 -9.996 -7.981 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.946 -11.583 -7.452 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.468 -10.930 -5.303 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.330 -9.903 -6.477 1.00 0.00 H new ATOM 1331 N ILE A 87 4.786 -10.401 -7.368 1.00 0.00 N ATOM 1332 CA ILE A 87 5.940 -10.085 -8.200 1.00 0.00 C ATOM 1333 C ILE A 87 6.068 -11.066 -9.360 1.00 0.00 C ATOM 1334 O ILE A 87 5.844 -10.709 -10.516 1.00 0.00 O ATOM 1335 CB ILE A 87 7.245 -10.102 -7.382 1.00 0.00 C ATOM 1336 CG1 ILE A 87 8.453 -10.244 -8.310 1.00 0.00 C ATOM 1337 CG2 ILE A 87 7.217 -11.232 -6.363 1.00 0.00 C ATOM 1338 CD1 ILE A 87 9.686 -9.525 -7.811 1.00 0.00 C ATOM 0 H ILE A 87 4.780 -11.352 -6.999 1.00 0.00 H new ATOM 0 HA ILE A 87 5.779 -9.081 -8.593 1.00 0.00 H new ATOM 0 HB ILE A 87 7.332 -9.157 -6.845 1.00 0.00 H new ATOM 0 HG12 ILE A 87 8.684 -11.302 -8.433 1.00 0.00 H new ATOM 0 HG13 ILE A 87 8.191 -9.858 -9.295 1.00 0.00 H new ATOM 0 HG21 ILE A 87 8.146 -11.231 -5.793 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.375 -11.090 -5.685 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.110 -12.186 -6.880 1.00 0.00 H new ATOM 0 HD11 ILE A 87 10.503 -9.669 -8.519 1.00 0.00 H new ATOM 0 HD12 ILE A 87 9.473 -8.460 -7.715 1.00 0.00 H new ATOM 0 HD13 ILE A 87 9.973 -9.927 -6.839 1.00 0.00 H new ATOM 1350 N ASP A 88 6.427 -12.305 -9.042 1.00 0.00 N ATOM 1351 CA ASP A 88 6.581 -13.340 -10.058 1.00 0.00 C ATOM 1352 C ASP A 88 5.714 -14.553 -9.734 1.00 0.00 C ATOM 1353 O ASP A 88 4.706 -14.802 -10.395 1.00 0.00 O ATOM 1354 CB ASP A 88 8.048 -13.761 -10.168 1.00 0.00 C ATOM 1355 CG ASP A 88 8.421 -14.196 -11.572 1.00 0.00 C ATOM 1356 OD1 ASP A 88 7.586 -14.848 -12.233 1.00 0.00 O ATOM 1357 OD2 ASP A 88 9.548 -13.883 -12.010 1.00 0.00 O ATOM 0 H ASP A 88 6.617 -12.617 -8.090 1.00 0.00 H new ATOM 0 HA ASP A 88 6.256 -12.928 -11.014 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.685 -12.930 -9.867 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.242 -14.579 -9.474 1.00 0.00 H new ATOM 1362 N ASP A 89 6.115 -15.305 -8.714 1.00 0.00 N ATOM 1363 CA ASP A 89 5.374 -16.492 -8.303 1.00 0.00 C ATOM 1364 C ASP A 89 4.934 -16.379 -6.847 1.00 0.00 C ATOM 1365 O ASP A 89 4.075 -17.132 -6.389 1.00 0.00 O ATOM 1366 CB ASP A 89 6.231 -17.745 -8.494 1.00 0.00 C ATOM 1367 CG ASP A 89 5.405 -19.016 -8.490 1.00 0.00 C ATOM 1368 OD1 ASP A 89 4.333 -19.030 -9.130 1.00 0.00 O ATOM 1369 OD2 ASP A 89 5.831 -19.997 -7.846 1.00 0.00 O ATOM 0 H ASP A 89 6.948 -15.114 -8.157 1.00 0.00 H new ATOM 0 HA ASP A 89 4.485 -16.571 -8.928 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.774 -17.671 -9.436 1.00 0.00 H new ATOM 0 HB3 ASP A 89 6.976 -17.797 -7.700 1.00 0.00 H new ATOM 1374 N GLU A 90 5.529 -15.435 -6.124 1.00 0.00 N ATOM 1375 CA GLU A 90 5.198 -15.226 -4.720 1.00 0.00 C ATOM 1376 C GLU A 90 4.361 -13.963 -4.539 1.00 0.00 C ATOM 1377 O GLU A 90 4.136 -13.214 -5.490 1.00 0.00 O ATOM 1378 CB GLU A 90 6.475 -15.130 -3.881 1.00 0.00 C ATOM 1379 CG GLU A 90 7.427 -16.296 -4.086 1.00 0.00 C ATOM 1380 CD GLU A 90 8.270 -16.583 -2.859 1.00 0.00 C ATOM 1381 OE1 GLU A 90 7.748 -17.206 -1.911 1.00 0.00 O ATOM 1382 OE2 GLU A 90 9.454 -16.183 -2.846 1.00 0.00 O ATOM 0 H GLU A 90 6.242 -14.803 -6.488 1.00 0.00 H new ATOM 0 HA GLU A 90 4.612 -16.080 -4.381 1.00 0.00 H new ATOM 0 HB2 GLU A 90 6.992 -14.202 -4.126 1.00 0.00 H new ATOM 0 HB3 GLU A 90 6.204 -15.074 -2.827 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.854 -17.187 -4.345 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.082 -16.081 -4.930 1.00 0.00 H new ATOM 1389 N SER A 91 3.902 -13.734 -3.313 1.00 0.00 N ATOM 1390 CA SER A 91 3.087 -12.565 -3.008 1.00 0.00 C ATOM 1391 C SER A 91 3.339 -12.084 -1.582 1.00 0.00 C ATOM 1392 O SER A 91 3.602 -12.882 -0.684 1.00 0.00 O ATOM 1393 CB SER A 91 1.603 -12.889 -3.194 1.00 0.00 C ATOM 1394 OG SER A 91 1.236 -14.041 -2.455 1.00 0.00 O ATOM 0 H SER A 91 4.081 -14.343 -2.515 1.00 0.00 H new ATOM 0 HA SER A 91 3.367 -11.768 -3.697 1.00 0.00 H new ATOM 0 HB2 SER A 91 0.999 -12.040 -2.874 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.392 -13.049 -4.251 1.00 0.00 H new ATOM 0 HG SER A 91 0.283 -14.226 -2.589 1.00 0.00 H new ATOM 1400 N ALA A 92 3.256 -10.772 -1.384 1.00 0.00 N ATOM 1401 CA ALA A 92 3.473 -10.183 -0.068 1.00 0.00 C ATOM 1402 C ALA A 92 2.151 -9.782 0.578 1.00 0.00 C ATOM 1403 O ALA A 92 1.338 -9.085 -0.029 1.00 0.00 O ATOM 1404 CB ALA A 92 4.397 -8.980 -0.175 1.00 0.00 C ATOM 0 H ALA A 92 3.040 -10.097 -2.118 1.00 0.00 H new ATOM 0 HA ALA A 92 3.944 -10.934 0.566 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.550 -8.550 0.815 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.356 -9.293 -0.587 1.00 0.00 H new ATOM 0 HB3 ALA A 92 3.948 -8.233 -0.829 1.00 0.00 H new ATOM 1410 N SER A 93 1.942 -10.227 1.813 1.00 0.00 N ATOM 1411 CA SER A 93 0.717 -9.918 2.540 1.00 0.00 C ATOM 1412 C SER A 93 0.848 -8.593 3.287 1.00 0.00 C ATOM 1413 O SER A 93 1.828 -8.360 3.994 1.00 0.00 O ATOM 1414 CB SER A 93 0.386 -11.041 3.525 1.00 0.00 C ATOM 1415 OG SER A 93 -0.675 -10.666 4.387 1.00 0.00 O ATOM 0 H SER A 93 2.606 -10.803 2.331 1.00 0.00 H new ATOM 0 HA SER A 93 -0.093 -9.829 1.816 1.00 0.00 H new ATOM 0 HB2 SER A 93 0.112 -11.942 2.976 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.270 -11.284 4.115 1.00 0.00 H new ATOM 0 HG SER A 93 -1.347 -11.379 4.408 1.00 0.00 H new ATOM 1421 N PHE A 94 -0.148 -7.728 3.123 1.00 0.00 N ATOM 1422 CA PHE A 94 -0.145 -6.426 3.779 1.00 0.00 C ATOM 1423 C PHE A 94 -1.540 -6.070 4.286 1.00 0.00 C ATOM 1424 O PHE A 94 -2.423 -5.709 3.507 1.00 0.00 O ATOM 1425 CB PHE A 94 0.351 -5.347 2.816 1.00 0.00 C ATOM 1426 CG PHE A 94 1.842 -5.348 2.630 1.00 0.00 C ATOM 1427 CD1 PHE A 94 2.679 -4.890 3.635 1.00 0.00 C ATOM 1428 CD2 PHE A 94 2.406 -5.808 1.451 1.00 0.00 C ATOM 1429 CE1 PHE A 94 4.051 -4.890 3.467 1.00 0.00 C ATOM 1430 CE2 PHE A 94 3.777 -5.812 1.278 1.00 0.00 C ATOM 1431 CZ PHE A 94 4.601 -5.351 2.287 1.00 0.00 C ATOM 0 H PHE A 94 -0.967 -7.905 2.542 1.00 0.00 H new ATOM 0 HA PHE A 94 0.531 -6.478 4.633 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -0.128 -5.488 1.847 1.00 0.00 H new ATOM 0 HB3 PHE A 94 0.040 -4.370 3.186 1.00 0.00 H new ATOM 0 HD1 PHE A 94 2.254 -4.529 4.560 1.00 0.00 H new ATOM 0 HD2 PHE A 94 1.767 -6.168 0.658 1.00 0.00 H new ATOM 0 HE1 PHE A 94 4.692 -4.530 4.258 1.00 0.00 H new ATOM 0 HE2 PHE A 94 4.204 -6.175 0.355 1.00 0.00 H new ATOM 0 HZ PHE A 94 5.673 -5.351 2.153 1.00 0.00 H new ATOM 1441 N THR A 95 -1.732 -6.174 5.597 1.00 0.00 N ATOM 1442 CA THR A 95 -3.018 -5.865 6.209 1.00 0.00 C ATOM 1443 C THR A 95 -3.133 -4.378 6.524 1.00 0.00 C ATOM 1444 O THR A 95 -2.335 -3.830 7.284 1.00 0.00 O ATOM 1445 CB THR A 95 -3.233 -6.671 7.504 1.00 0.00 C ATOM 1446 OG1 THR A 95 -3.273 -8.071 7.208 1.00 0.00 O ATOM 1447 CG2 THR A 95 -4.524 -6.255 8.192 1.00 0.00 C ATOM 0 H THR A 95 -1.012 -6.470 6.256 1.00 0.00 H new ATOM 0 HA THR A 95 -3.786 -6.142 5.487 1.00 0.00 H new ATOM 0 HB THR A 95 -2.400 -6.466 8.176 1.00 0.00 H new ATOM 0 HG1 THR A 95 -3.408 -8.577 8.036 1.00 0.00 H new ATOM 0 HG21 THR A 95 -4.654 -6.838 9.104 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.478 -5.195 8.442 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.366 -6.434 7.524 1.00 0.00 H new ATOM 1455 N VAL A 96 -4.133 -3.729 5.935 1.00 0.00 N ATOM 1456 CA VAL A 96 -4.354 -2.304 6.154 1.00 0.00 C ATOM 1457 C VAL A 96 -5.780 -2.035 6.621 1.00 0.00 C ATOM 1458 O VAL A 96 -6.725 -2.090 5.832 1.00 0.00 O ATOM 1459 CB VAL A 96 -4.081 -1.490 4.876 1.00 0.00 C ATOM 1460 CG1 VAL A 96 -4.329 -0.010 5.122 1.00 0.00 C ATOM 1461 CG2 VAL A 96 -2.661 -1.727 4.386 1.00 0.00 C ATOM 0 H VAL A 96 -4.803 -4.167 5.303 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.655 -1.991 6.930 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.769 -1.825 4.100 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.131 0.549 4.208 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.366 0.140 5.422 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.668 0.343 5.914 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.486 -1.144 3.482 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.954 -1.422 5.157 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.524 -2.786 4.167 1.00 0.00 H new ATOM 1471 N THR A 97 -5.931 -1.744 7.909 1.00 0.00 N ATOM 1472 CA THR A 97 -7.242 -1.466 8.482 1.00 0.00 C ATOM 1473 C THR A 97 -7.443 0.029 8.698 1.00 0.00 C ATOM 1474 O THR A 97 -6.695 0.665 9.442 1.00 0.00 O ATOM 1475 CB THR A 97 -7.436 -2.198 9.823 1.00 0.00 C ATOM 1476 OG1 THR A 97 -7.258 -3.607 9.642 1.00 0.00 O ATOM 1477 CG2 THR A 97 -8.819 -1.925 10.394 1.00 0.00 C ATOM 0 H THR A 97 -5.161 -1.695 8.576 1.00 0.00 H new ATOM 0 HA THR A 97 -7.981 -1.829 7.768 1.00 0.00 H new ATOM 0 HB THR A 97 -6.691 -1.826 10.526 1.00 0.00 H new ATOM 0 HG1 THR A 97 -7.381 -4.065 10.500 1.00 0.00 H new ATOM 0 HG21 THR A 97 -8.932 -2.453 11.341 1.00 0.00 H new ATOM 0 HG22 THR A 97 -8.940 -0.854 10.558 1.00 0.00 H new ATOM 0 HG23 THR A 97 -9.577 -2.272 9.692 1.00 0.00 H new ATOM 1485 N VAL A 98 -8.456 0.587 8.044 1.00 0.00 N ATOM 1486 CA VAL A 98 -8.756 2.008 8.166 1.00 0.00 C ATOM 1487 C VAL A 98 -9.939 2.242 9.099 1.00 0.00 C ATOM 1488 O VAL A 98 -10.870 1.438 9.153 1.00 0.00 O ATOM 1489 CB VAL A 98 -9.066 2.637 6.795 1.00 0.00 C ATOM 1490 CG1 VAL A 98 -9.358 4.123 6.942 1.00 0.00 C ATOM 1491 CG2 VAL A 98 -7.912 2.405 5.830 1.00 0.00 C ATOM 0 H VAL A 98 -9.084 0.076 7.423 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.868 2.483 8.583 1.00 0.00 H new ATOM 0 HB VAL A 98 -9.955 2.156 6.386 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -9.575 4.550 5.963 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -10.218 4.262 7.597 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -8.490 4.623 7.372 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -8.148 2.856 4.866 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -7.006 2.859 6.231 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.755 1.334 5.701 1.00 0.00 H new ATOM 1501 N THR A 99 -9.898 3.350 9.833 1.00 0.00 N ATOM 1502 CA THR A 99 -10.965 3.690 10.765 1.00 0.00 C ATOM 1503 C THR A 99 -11.324 5.169 10.673 1.00 0.00 C ATOM 1504 O THR A 99 -10.779 5.899 9.846 1.00 0.00 O ATOM 1505 CB THR A 99 -10.572 3.358 12.216 1.00 0.00 C ATOM 1506 OG1 THR A 99 -9.281 3.903 12.510 1.00 0.00 O ATOM 1507 CG2 THR A 99 -10.556 1.854 12.442 1.00 0.00 C ATOM 0 H THR A 99 -9.136 4.027 9.799 1.00 0.00 H new ATOM 0 HA THR A 99 -11.831 3.090 10.486 1.00 0.00 H new ATOM 0 HB THR A 99 -11.314 3.801 12.881 1.00 0.00 H new ATOM 0 HG1 THR A 99 -9.039 3.689 13.435 1.00 0.00 H new ATOM 0 HG21 THR A 99 -10.276 1.644 13.474 1.00 0.00 H new ATOM 0 HG22 THR A 99 -11.547 1.446 12.245 1.00 0.00 H new ATOM 0 HG23 THR A 99 -9.834 1.393 11.769 1.00 0.00 H new ATOM 1515 N GLU A 100 -12.244 5.604 11.528 1.00 0.00 N ATOM 1516 CA GLU A 100 -12.675 6.997 11.543 1.00 0.00 C ATOM 1517 C GLU A 100 -11.816 7.822 12.496 1.00 0.00 C ATOM 1518 O GLU A 100 -11.528 7.416 13.622 1.00 0.00 O ATOM 1519 CB GLU A 100 -14.147 7.094 11.950 1.00 0.00 C ATOM 1520 CG GLU A 100 -15.081 6.301 11.052 1.00 0.00 C ATOM 1521 CD GLU A 100 -16.439 6.065 11.685 1.00 0.00 C ATOM 1522 OE1 GLU A 100 -16.536 5.185 12.566 1.00 0.00 O ATOM 1523 OE2 GLU A 100 -17.403 6.759 11.301 1.00 0.00 O ATOM 0 H GLU A 100 -12.705 5.012 12.219 1.00 0.00 H new ATOM 0 HA GLU A 100 -12.557 7.398 10.536 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -14.256 6.740 12.975 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -14.450 8.141 11.940 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -15.211 6.833 10.110 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -14.623 5.341 10.815 1.00 0.00 H new ATOM 1530 N PRO A 101 -11.396 9.010 12.036 1.00 0.00 N ATOM 1531 CA PRO A 101 -10.565 9.918 12.831 1.00 0.00 C ATOM 1532 C PRO A 101 -11.329 10.531 13.999 1.00 0.00 C ATOM 1533 O PRO A 101 -12.560 10.543 14.029 1.00 0.00 O ATOM 1534 CB PRO A 101 -10.163 11.002 11.827 1.00 0.00 C ATOM 1535 CG PRO A 101 -11.243 10.987 10.801 1.00 0.00 C ATOM 1536 CD PRO A 101 -11.702 9.558 10.704 1.00 0.00 C ATOM 0 HA PRO A 101 -9.718 9.403 13.285 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -10.087 11.978 12.307 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -9.191 10.789 11.382 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -12.065 11.642 11.090 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -10.873 11.344 9.840 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -12.766 9.492 10.477 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -11.175 9.019 9.917 1.00 0.00 H new ATOM 1544 N PRO A 102 -10.585 11.053 14.986 1.00 0.00 N ATOM 1545 CA PRO A 102 -11.172 11.679 16.174 1.00 0.00 C ATOM 1546 C PRO A 102 -11.855 13.004 15.854 1.00 0.00 C ATOM 1547 O PRO A 102 -11.838 13.463 14.712 1.00 0.00 O ATOM 1548 CB PRO A 102 -9.966 11.905 17.089 1.00 0.00 C ATOM 1549 CG PRO A 102 -8.801 11.994 16.164 1.00 0.00 C ATOM 1550 CD PRO A 102 -9.113 11.074 15.016 1.00 0.00 C ATOM 0 HA PRO A 102 -11.951 11.059 16.618 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -10.078 12.818 17.674 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.847 11.085 17.798 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -8.656 13.017 15.816 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.881 11.694 16.665 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -8.697 11.445 14.079 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -8.700 10.078 15.176 1.00 0.00 H new ATOM 1558 N VAL A 103 -12.454 13.617 16.871 1.00 0.00 N ATOM 1559 CA VAL A 103 -13.140 14.891 16.698 1.00 0.00 C ATOM 1560 C VAL A 103 -12.164 15.992 16.299 1.00 0.00 C ATOM 1561 O VAL A 103 -11.034 16.039 16.785 1.00 0.00 O ATOM 1562 CB VAL A 103 -13.874 15.312 17.985 1.00 0.00 C ATOM 1563 CG1 VAL A 103 -12.879 15.585 19.102 1.00 0.00 C ATOM 1564 CG2 VAL A 103 -14.745 16.532 17.726 1.00 0.00 C ATOM 0 H VAL A 103 -12.478 13.251 17.823 1.00 0.00 H new ATOM 0 HA VAL A 103 -13.870 14.751 15.901 1.00 0.00 H new ATOM 0 HB VAL A 103 -14.520 14.492 18.299 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -13.416 15.881 20.003 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -12.302 14.683 19.304 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -12.205 16.387 18.801 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -15.256 16.816 18.646 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -14.121 17.359 17.387 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -15.483 16.296 16.959 1.00 0.00 H new ATOM 1574 N ARG A 104 -12.608 16.877 15.412 1.00 0.00 N ATOM 1575 CA ARG A 104 -11.773 17.978 14.947 1.00 0.00 C ATOM 1576 C ARG A 104 -12.533 19.300 15.009 1.00 0.00 C ATOM 1577 O ARG A 104 -12.114 20.236 15.690 1.00 0.00 O ATOM 1578 CB ARG A 104 -11.298 17.716 13.517 1.00 0.00 C ATOM 1579 CG ARG A 104 -10.058 16.841 13.438 1.00 0.00 C ATOM 1580 CD ARG A 104 -8.785 17.674 13.469 1.00 0.00 C ATOM 1581 NE ARG A 104 -7.587 16.840 13.514 1.00 0.00 N ATOM 1582 CZ ARG A 104 -7.139 16.255 14.619 1.00 0.00 C ATOM 1583 NH1 ARG A 104 -7.787 16.412 15.765 1.00 0.00 N ATOM 1584 NH2 ARG A 104 -6.041 15.511 14.579 1.00 0.00 N ATOM 0 H ARG A 104 -13.541 16.853 15.001 1.00 0.00 H new ATOM 0 HA ARG A 104 -10.906 18.047 15.604 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -12.104 17.241 12.957 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -11.091 18.670 13.031 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -10.054 16.138 14.271 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -10.086 16.251 12.522 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -8.749 18.314 12.587 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -8.802 18.331 14.339 1.00 0.00 H new ATOM 0 HE ARG A 104 -7.065 16.699 12.649 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -8.631 16.983 15.799 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -7.441 15.962 16.612 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -5.540 15.388 13.699 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -5.698 15.062 15.428 1.00 0.00 H new ATOM 1598 N ILE A 105 -13.650 19.368 14.293 1.00 0.00 N ATOM 1599 CA ILE A 105 -14.468 20.574 14.266 1.00 0.00 C ATOM 1600 C ILE A 105 -15.953 20.231 14.254 1.00 0.00 C ATOM 1601 O ILE A 105 -16.360 19.208 13.703 1.00 0.00 O ATOM 1602 CB ILE A 105 -14.143 21.448 13.040 1.00 0.00 C ATOM 1603 CG1 ILE A 105 -14.464 20.691 11.749 1.00 0.00 C ATOM 1604 CG2 ILE A 105 -12.682 21.871 13.063 1.00 0.00 C ATOM 1605 CD1 ILE A 105 -15.904 20.834 11.307 1.00 0.00 C ATOM 0 H ILE A 105 -14.009 18.602 13.724 1.00 0.00 H new ATOM 0 HA ILE A 105 -14.235 21.134 15.172 1.00 0.00 H new ATOM 0 HB ILE A 105 -14.761 22.345 13.077 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -13.811 21.051 10.954 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -14.239 19.634 11.892 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -12.468 22.488 12.190 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -12.483 22.443 13.969 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -12.047 20.986 13.046 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -16.059 20.272 10.386 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -16.563 20.447 12.084 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -16.128 21.886 11.132 1.00 0.00 H new ATOM 1617 N ILE A 106 -16.759 21.095 14.862 1.00 0.00 N ATOM 1618 CA ILE A 106 -18.201 20.885 14.918 1.00 0.00 C ATOM 1619 C ILE A 106 -18.955 22.113 14.421 1.00 0.00 C ATOM 1620 O ILE A 106 -19.038 23.127 15.116 1.00 0.00 O ATOM 1621 CB ILE A 106 -18.666 20.554 16.349 1.00 0.00 C ATOM 1622 CG1 ILE A 106 -17.962 19.296 16.860 1.00 0.00 C ATOM 1623 CG2 ILE A 106 -20.176 20.374 16.386 1.00 0.00 C ATOM 1624 CD1 ILE A 106 -17.781 19.272 18.361 1.00 0.00 C ATOM 0 H ILE A 106 -16.438 21.947 15.323 1.00 0.00 H new ATOM 0 HA ILE A 106 -18.423 20.039 14.268 1.00 0.00 H new ATOM 0 HB ILE A 106 -18.402 21.386 17.002 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -18.536 18.420 16.557 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -16.985 19.217 16.383 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -20.490 20.141 17.403 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -20.660 21.294 16.059 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -20.462 19.558 15.722 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -17.275 18.351 18.652 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -17.181 20.128 18.669 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -18.756 19.319 18.846 1.00 0.00 H new ATOM 1636 N TYR A 107 -19.505 22.015 13.216 1.00 0.00 N ATOM 1637 CA TYR A 107 -20.253 23.119 12.625 1.00 0.00 C ATOM 1638 C TYR A 107 -21.397 22.600 11.760 1.00 0.00 C ATOM 1639 O TYR A 107 -21.341 21.485 11.240 1.00 0.00 O ATOM 1640 CB TYR A 107 -19.325 24.001 11.789 1.00 0.00 C ATOM 1641 CG TYR A 107 -20.059 24.989 10.910 1.00 0.00 C ATOM 1642 CD1 TYR A 107 -20.720 26.080 11.460 1.00 0.00 C ATOM 1643 CD2 TYR A 107 -20.089 24.832 9.530 1.00 0.00 C ATOM 1644 CE1 TYR A 107 -21.392 26.985 10.661 1.00 0.00 C ATOM 1645 CE2 TYR A 107 -20.757 25.732 8.723 1.00 0.00 C ATOM 1646 CZ TYR A 107 -21.408 26.807 9.293 1.00 0.00 C ATOM 1647 OH TYR A 107 -22.075 27.706 8.494 1.00 0.00 O ATOM 0 H TYR A 107 -19.447 21.183 12.629 1.00 0.00 H new ATOM 0 HA TYR A 107 -20.675 23.714 13.435 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -18.658 24.547 12.456 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -18.700 23.365 11.163 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -20.708 26.223 12.530 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -19.581 23.992 9.080 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -21.902 27.827 11.105 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -20.770 25.595 7.652 1.00 0.00 H new ATOM 0 HH TYR A 107 -21.988 27.437 7.556 1.00 0.00 H new ATOM 1657 N SER A 108 -22.434 23.418 11.609 1.00 0.00 N ATOM 1658 CA SER A 108 -23.594 23.042 10.809 1.00 0.00 C ATOM 1659 C SER A 108 -23.168 22.574 9.421 1.00 0.00 C ATOM 1660 O SER A 108 -22.314 23.188 8.782 1.00 0.00 O ATOM 1661 CB SER A 108 -24.561 24.221 10.688 1.00 0.00 C ATOM 1662 OG SER A 108 -25.638 23.911 9.822 1.00 0.00 O ATOM 0 H SER A 108 -22.495 24.345 12.030 1.00 0.00 H new ATOM 0 HA SER A 108 -24.099 22.218 11.312 1.00 0.00 H new ATOM 0 HB2 SER A 108 -24.946 24.482 11.674 1.00 0.00 H new ATOM 0 HB3 SER A 108 -24.029 25.095 10.313 1.00 0.00 H new ATOM 0 HG SER A 108 -26.242 24.680 9.763 1.00 0.00 H new ATOM 1668 N GLY A 109 -23.770 21.482 8.960 1.00 0.00 N ATOM 1669 CA GLY A 109 -23.441 20.950 7.651 1.00 0.00 C ATOM 1670 C GLY A 109 -23.743 19.469 7.534 1.00 0.00 C ATOM 1671 O GLY A 109 -22.991 18.620 8.014 1.00 0.00 O ATOM 0 H GLY A 109 -24.480 20.956 9.470 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -24.002 21.493 6.890 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -22.383 21.119 7.449 1.00 0.00 H new ATOM 1675 N PRO A 110 -24.870 19.140 6.885 1.00 0.00 N ATOM 1676 CA PRO A 110 -25.296 17.751 6.693 1.00 0.00 C ATOM 1677 C PRO A 110 -24.398 16.998 5.717 1.00 0.00 C ATOM 1678 O PRO A 110 -24.015 17.530 4.675 1.00 0.00 O ATOM 1679 CB PRO A 110 -26.709 17.889 6.121 1.00 0.00 C ATOM 1680 CG PRO A 110 -26.724 19.228 5.467 1.00 0.00 C ATOM 1681 CD PRO A 110 -25.814 20.100 6.288 1.00 0.00 C ATOM 0 HA PRO A 110 -25.250 17.179 7.620 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -26.925 17.096 5.405 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -27.462 17.823 6.906 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -26.376 19.163 4.436 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -27.734 19.637 5.437 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -25.301 20.838 5.672 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -26.365 20.650 7.051 1.00 0.00 H new ATOM 1689 N SER A 111 -24.066 15.758 6.061 1.00 0.00 N ATOM 1690 CA SER A 111 -23.209 14.934 5.217 1.00 0.00 C ATOM 1691 C SER A 111 -23.608 13.464 5.310 1.00 0.00 C ATOM 1692 O SER A 111 -23.392 12.815 6.333 1.00 0.00 O ATOM 1693 CB SER A 111 -21.744 15.103 5.621 1.00 0.00 C ATOM 1694 OG SER A 111 -20.909 14.218 4.894 1.00 0.00 O ATOM 0 H SER A 111 -24.378 15.302 6.918 1.00 0.00 H new ATOM 0 HA SER A 111 -23.333 15.262 4.185 1.00 0.00 H new ATOM 0 HB2 SER A 111 -21.431 16.132 5.443 1.00 0.00 H new ATOM 0 HB3 SER A 111 -21.634 14.916 6.689 1.00 0.00 H new ATOM 0 HG SER A 111 -19.977 14.347 5.169 1.00 0.00 H new ATOM 1700 N SER A 112 -24.191 12.946 4.233 1.00 0.00 N ATOM 1701 CA SER A 112 -24.623 11.554 4.193 1.00 0.00 C ATOM 1702 C SER A 112 -23.445 10.612 4.424 1.00 0.00 C ATOM 1703 O SER A 112 -22.295 10.963 4.164 1.00 0.00 O ATOM 1704 CB SER A 112 -25.285 11.242 2.849 1.00 0.00 C ATOM 1705 OG SER A 112 -26.253 10.216 2.984 1.00 0.00 O ATOM 0 H SER A 112 -24.375 13.469 3.377 1.00 0.00 H new ATOM 0 HA SER A 112 -25.349 11.402 4.992 1.00 0.00 H new ATOM 0 HB2 SER A 112 -25.757 12.142 2.455 1.00 0.00 H new ATOM 0 HB3 SER A 112 -24.526 10.938 2.128 1.00 0.00 H new ATOM 0 HG SER A 112 -26.663 10.036 2.112 1.00 0.00 H new ATOM 1711 N GLY A 113 -23.742 9.413 4.915 1.00 0.00 N ATOM 1712 CA GLY A 113 -22.699 8.438 5.173 1.00 0.00 C ATOM 1713 C GLY A 113 -23.028 7.072 4.605 1.00 0.00 C ATOM 1714 O GLY A 113 -22.813 6.052 5.260 1.00 0.00 O ATOM 0 H GLY A 113 -24.686 9.099 5.139 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -21.762 8.791 4.742 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -22.544 8.353 6.249 1.00 0.00 H new TER 1718 GLY A 113