USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 676 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 18 SER OG : rot 180:sc= 0.264 USER MOD Set 1.2: A 21 THR OG1 : rot 17:sc= 0.765 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 175:sc= 0.691 (180deg=0) USER MOD Set 2.2: A 11 THR OG1 : rot 123:sc= 0.6 USER MOD Single : A 1 TRP N :NH3+ -143:sc= 0.412 (180deg=-0.409!) USER MOD Single : A 5 CYS SG : rot 32:sc= -3.77! USER MOD Single : A 8 LYS NZ :NH3+ 145:sc= -1.68! (180deg=-3.66!) USER MOD Single : A 12 HIS : no HD1:sc= 0.07 X(o=0.07,f=-0.31) USER MOD Single : A 15 GLN : amide:sc=-0.00216 X(o=-0.0022,f=-0.17) USER MOD Single : A 19 SER OG : rot -36:sc= 0.0759 USER MOD Single : A 27 GLN : amide:sc=-0.00511 K(o=-0.0051,f=-0.89) USER MOD Single : A 29 GLN :FLIP amide:sc= 0.148 F(o=-2.4!,f=0.15) USER MOD Single : A 34 THR OG1 : rot -30:sc= 0.428 USER MOD Single : A 40 SER OG : rot -139:sc= 0.0428 USER MOD Single : A 41 GLN : amide:sc= -1.78! C(o=-1.8!,f=-5.2!) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.681 USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -110:sc= 0.28 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 40:sc= 0.152 USER MOD Single : A 71 MET CE :methyl -132:sc= -2.93 (180deg=-6.54!) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.325 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 41:sc= 0.382 USER MOD Single : A 86 SER OG : rot 46:sc= 0.116 USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 1 1.267 0.520 -0.896 1.00 0.00 N ATOM 2 CA TRP A 1 2.145 0.700 -2.074 1.00 0.00 C ATOM 3 C TRP A 1 3.573 0.265 -1.694 1.00 0.00 C ATOM 4 O TRP A 1 4.325 1.022 -1.070 1.00 0.00 O ATOM 5 CB TRP A 1 2.107 2.179 -2.580 1.00 0.00 C ATOM 6 CG TRP A 1 0.772 2.640 -3.137 1.00 0.00 C ATOM 7 CD1 TRP A 1 -0.474 2.325 -2.674 1.00 0.00 C ATOM 8 CD2 TRP A 1 0.555 3.530 -4.247 1.00 0.00 C ATOM 9 NE1 TRP A 1 -1.434 2.926 -3.435 1.00 0.00 N ATOM 10 CE2 TRP A 1 -0.834 3.680 -4.398 1.00 0.00 C ATOM 11 CE3 TRP A 1 1.398 4.214 -5.121 1.00 0.00 C ATOM 12 CZ2 TRP A 1 -1.394 4.466 -5.395 1.00 0.00 C ATOM 13 CZ3 TRP A 1 0.839 5.001 -6.106 1.00 0.00 C ATOM 14 CH2 TRP A 1 -0.543 5.131 -6.231 1.00 0.00 C ATOM 0 H1 TRP A 1 0.330 0.193 -1.208 1.00 0.00 H new ATOM 0 H2 TRP A 1 1.685 -0.185 -0.256 1.00 0.00 H new ATOM 0 H3 TRP A 1 1.168 1.426 -0.395 1.00 0.00 H new ATOM 0 HA TRP A 1 1.791 0.080 -2.897 1.00 0.00 H new ATOM 0 HB2 TRP A 1 2.384 2.835 -1.755 1.00 0.00 H new ATOM 0 HB3 TRP A 1 2.866 2.301 -3.353 1.00 0.00 H new ATOM 0 HD1 TRP A 1 -0.672 1.689 -1.824 1.00 0.00 H new ATOM 0 HE1 TRP A 1 -2.441 2.827 -3.304 1.00 0.00 H new ATOM 0 HE3 TRP A 1 2.471 4.129 -5.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 1 -2.465 4.549 -5.506 1.00 0.00 H new ATOM 0 HZ3 TRP A 1 1.485 5.527 -6.794 1.00 0.00 H new ATOM 0 HH2 TRP A 1 -0.948 5.769 -7.003 1.00 0.00 H new ATOM 27 N ARG A 2 3.906 -0.993 -2.029 1.00 0.00 N ATOM 28 CA ARG A 2 5.208 -1.611 -1.724 1.00 0.00 C ATOM 29 C ARG A 2 6.171 -1.366 -2.901 1.00 0.00 C ATOM 30 O ARG A 2 6.315 -2.206 -3.788 1.00 0.00 O ATOM 31 CB ARG A 2 5.021 -3.132 -1.448 1.00 0.00 C ATOM 32 CG ARG A 2 3.956 -3.461 -0.380 1.00 0.00 C ATOM 33 CD ARG A 2 3.920 -4.954 -0.027 1.00 0.00 C ATOM 34 NE ARG A 2 3.706 -5.801 -1.216 1.00 0.00 N ATOM 35 CZ ARG A 2 4.042 -7.094 -1.308 1.00 0.00 C ATOM 36 NH1 ARG A 2 4.660 -7.713 -0.311 1.00 0.00 N ATOM 37 NH2 ARG A 2 3.774 -7.766 -2.412 1.00 0.00 N ATOM 0 H ARG A 2 3.270 -1.617 -2.526 1.00 0.00 H new ATOM 0 HA ARG A 2 5.636 -1.161 -0.828 1.00 0.00 H new ATOM 0 HB2 ARG A 2 4.748 -3.627 -2.380 1.00 0.00 H new ATOM 0 HB3 ARG A 2 5.976 -3.552 -1.132 1.00 0.00 H new ATOM 0 HG2 ARG A 2 4.159 -2.883 0.521 1.00 0.00 H new ATOM 0 HG3 ARG A 2 2.975 -3.153 -0.742 1.00 0.00 H new ATOM 0 HD2 ARG A 2 4.857 -5.235 0.454 1.00 0.00 H new ATOM 0 HD3 ARG A 2 3.124 -5.136 0.695 1.00 0.00 H new ATOM 0 HE ARG A 2 3.269 -5.369 -2.030 1.00 0.00 H new ATOM 0 HH11 ARG A 2 4.887 -7.204 0.543 1.00 0.00 H new ATOM 0 HH12 ARG A 2 4.908 -8.698 -0.398 1.00 0.00 H new ATOM 0 HH21 ARG A 2 3.312 -7.300 -3.193 1.00 0.00 H new ATOM 0 HH22 ARG A 2 4.029 -8.751 -2.484 1.00 0.00 H new ATOM 51 N VAL A 3 6.802 -0.184 -2.908 1.00 0.00 N ATOM 52 CA VAL A 3 7.589 0.320 -4.054 1.00 0.00 C ATOM 53 C VAL A 3 9.104 0.228 -3.772 1.00 0.00 C ATOM 54 O VAL A 3 9.551 0.496 -2.659 1.00 0.00 O ATOM 55 CB VAL A 3 7.171 1.804 -4.359 1.00 0.00 C ATOM 56 CG1 VAL A 3 7.845 2.351 -5.637 1.00 0.00 C ATOM 57 CG2 VAL A 3 5.625 1.926 -4.432 1.00 0.00 C ATOM 0 H VAL A 3 6.784 0.458 -2.115 1.00 0.00 H new ATOM 0 HA VAL A 3 7.380 -0.301 -4.925 1.00 0.00 H new ATOM 0 HB VAL A 3 7.526 2.423 -3.536 1.00 0.00 H new ATOM 0 HG11 VAL A 3 7.525 3.379 -5.806 1.00 0.00 H new ATOM 0 HG12 VAL A 3 8.928 2.323 -5.518 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.558 1.737 -6.491 1.00 0.00 H new ATOM 0 HG21 VAL A 3 5.351 2.960 -4.644 1.00 0.00 H new ATOM 0 HG22 VAL A 3 5.246 1.281 -5.224 1.00 0.00 H new ATOM 0 HG23 VAL A 3 5.191 1.624 -3.479 1.00 0.00 H new ATOM 67 N ARG A 4 9.873 -0.136 -4.808 1.00 0.00 N ATOM 68 CA ARG A 4 11.335 -0.325 -4.727 1.00 0.00 C ATOM 69 C ARG A 4 12.081 1.005 -5.004 1.00 0.00 C ATOM 70 O ARG A 4 11.619 1.823 -5.811 1.00 0.00 O ATOM 71 CB ARG A 4 11.771 -1.392 -5.767 1.00 0.00 C ATOM 72 CG ARG A 4 11.103 -2.777 -5.607 1.00 0.00 C ATOM 73 CD ARG A 4 11.412 -3.714 -6.792 1.00 0.00 C ATOM 74 NE ARG A 4 11.032 -5.115 -6.517 1.00 0.00 N ATOM 75 CZ ARG A 4 10.758 -6.038 -7.454 1.00 0.00 C ATOM 76 NH1 ARG A 4 10.648 -5.707 -8.734 1.00 0.00 N ATOM 77 NH2 ARG A 4 10.562 -7.294 -7.099 1.00 0.00 N ATOM 0 H ARG A 4 9.496 -0.311 -5.739 1.00 0.00 H new ATOM 0 HA ARG A 4 11.589 -0.658 -3.721 1.00 0.00 H new ATOM 0 HB2 ARG A 4 11.552 -1.014 -6.766 1.00 0.00 H new ATOM 0 HB3 ARG A 4 12.852 -1.518 -5.704 1.00 0.00 H new ATOM 0 HG2 ARG A 4 11.447 -3.239 -4.682 1.00 0.00 H new ATOM 0 HG3 ARG A 4 10.024 -2.650 -5.518 1.00 0.00 H new ATOM 0 HD2 ARG A 4 10.881 -3.363 -7.677 1.00 0.00 H new ATOM 0 HD3 ARG A 4 12.477 -3.667 -7.020 1.00 0.00 H new ATOM 0 HE ARG A 4 10.973 -5.404 -5.540 1.00 0.00 H new ATOM 0 HH11 ARG A 4 10.772 -4.736 -9.022 1.00 0.00 H new ATOM 0 HH12 ARG A 4 10.439 -6.423 -9.430 1.00 0.00 H new ATOM 0 HH21 ARG A 4 10.619 -7.561 -6.116 1.00 0.00 H new ATOM 0 HH22 ARG A 4 10.354 -7.998 -7.807 1.00 0.00 H new ATOM 91 N CYS A 5 13.247 1.199 -4.348 1.00 0.00 N ATOM 92 CA CYS A 5 14.120 2.372 -4.571 1.00 0.00 C ATOM 93 C CYS A 5 15.589 1.921 -4.777 1.00 0.00 C ATOM 94 O CYS A 5 16.205 1.341 -3.875 1.00 0.00 O ATOM 95 CB CYS A 5 14.005 3.357 -3.383 1.00 0.00 C ATOM 96 SG CYS A 5 14.630 2.725 -1.813 1.00 0.00 S ATOM 0 H CYS A 5 13.608 0.548 -3.651 1.00 0.00 H new ATOM 0 HA CYS A 5 13.794 2.887 -5.475 1.00 0.00 H new ATOM 0 HB2 CYS A 5 14.546 4.270 -3.632 1.00 0.00 H new ATOM 0 HB3 CYS A 5 12.958 3.632 -3.257 1.00 0.00 H new ATOM 0 HG CYS A 5 15.615 1.907 -2.036 1.00 0.00 H new ATOM 102 N LYS A 6 16.116 2.170 -5.991 1.00 0.00 N ATOM 103 CA LYS A 6 17.504 1.861 -6.375 1.00 0.00 C ATOM 104 C LYS A 6 18.441 2.951 -5.828 1.00 0.00 C ATOM 105 O LYS A 6 18.237 4.134 -6.123 1.00 0.00 O ATOM 106 CB LYS A 6 17.614 1.807 -7.934 1.00 0.00 C ATOM 107 CG LYS A 6 18.946 1.232 -8.484 1.00 0.00 C ATOM 108 CD LYS A 6 19.069 -0.302 -8.282 1.00 0.00 C ATOM 109 CE LYS A 6 17.998 -1.091 -9.073 1.00 0.00 C ATOM 110 NZ LYS A 6 18.052 -2.558 -8.817 1.00 0.00 N ATOM 0 H LYS A 6 15.579 2.599 -6.744 1.00 0.00 H new ATOM 0 HA LYS A 6 17.791 0.895 -5.959 1.00 0.00 H new ATOM 0 HB2 LYS A 6 16.791 1.205 -8.319 1.00 0.00 H new ATOM 0 HB3 LYS A 6 17.483 2.815 -8.326 1.00 0.00 H new ATOM 0 HG2 LYS A 6 19.024 1.461 -9.547 1.00 0.00 H new ATOM 0 HG3 LYS A 6 19.782 1.727 -7.989 1.00 0.00 H new ATOM 0 HD2 LYS A 6 20.061 -0.628 -8.595 1.00 0.00 H new ATOM 0 HD3 LYS A 6 18.977 -0.534 -7.221 1.00 0.00 H new ATOM 0 HE2 LYS A 6 17.009 -0.717 -8.808 1.00 0.00 H new ATOM 0 HE3 LYS A 6 18.133 -0.908 -10.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 17.261 -3.025 -9.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 18.952 -2.939 -9.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 17.981 -2.735 -7.795 1.00 0.00 H new ATOM 124 N ALA A 7 19.453 2.550 -5.049 1.00 0.00 N ATOM 125 CA ALA A 7 20.457 3.477 -4.490 1.00 0.00 C ATOM 126 C ALA A 7 21.808 2.757 -4.329 1.00 0.00 C ATOM 127 O ALA A 7 21.883 1.536 -4.514 1.00 0.00 O ATOM 128 CB ALA A 7 19.968 4.060 -3.152 1.00 0.00 C ATOM 0 H ALA A 7 19.603 1.576 -4.786 1.00 0.00 H new ATOM 0 HA ALA A 7 20.596 4.309 -5.181 1.00 0.00 H new ATOM 0 HB1 ALA A 7 20.721 4.741 -2.755 1.00 0.00 H new ATOM 0 HB2 ALA A 7 19.036 4.602 -3.310 1.00 0.00 H new ATOM 0 HB3 ALA A 7 19.801 3.250 -2.442 1.00 0.00 H new ATOM 134 N LYS A 8 22.878 3.519 -3.981 1.00 0.00 N ATOM 135 CA LYS A 8 24.243 2.948 -3.822 1.00 0.00 C ATOM 136 C LYS A 8 24.341 2.037 -2.586 1.00 0.00 C ATOM 137 O LYS A 8 25.204 1.156 -2.528 1.00 0.00 O ATOM 138 CB LYS A 8 25.351 4.041 -3.763 1.00 0.00 C ATOM 139 CG LYS A 8 25.339 4.978 -2.518 1.00 0.00 C ATOM 140 CD LYS A 8 24.399 6.211 -2.638 1.00 0.00 C ATOM 141 CE LYS A 8 24.913 7.289 -3.626 1.00 0.00 C ATOM 142 NZ LYS A 8 24.833 6.871 -5.047 1.00 0.00 N ATOM 0 H LYS A 8 22.823 4.522 -3.806 1.00 0.00 H new ATOM 0 HA LYS A 8 24.416 2.348 -4.715 1.00 0.00 H new ATOM 0 HB2 LYS A 8 26.321 3.546 -3.808 1.00 0.00 H new ATOM 0 HB3 LYS A 8 25.267 4.660 -4.656 1.00 0.00 H new ATOM 0 HG2 LYS A 8 25.042 4.396 -1.646 1.00 0.00 H new ATOM 0 HG3 LYS A 8 26.355 5.330 -2.336 1.00 0.00 H new ATOM 0 HD2 LYS A 8 23.413 5.876 -2.960 1.00 0.00 H new ATOM 0 HD3 LYS A 8 24.277 6.662 -1.653 1.00 0.00 H new ATOM 0 HE2 LYS A 8 24.333 8.202 -3.490 1.00 0.00 H new ATOM 0 HE3 LYS A 8 25.948 7.530 -3.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 24.605 7.695 -5.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 25.747 6.474 -5.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 24.091 6.151 -5.156 1.00 0.00 H new ATOM 156 N GLY A 9 23.440 2.259 -1.607 1.00 0.00 N ATOM 157 CA GLY A 9 23.318 1.393 -0.428 1.00 0.00 C ATOM 158 C GLY A 9 22.376 0.213 -0.664 1.00 0.00 C ATOM 159 O GLY A 9 21.856 -0.376 0.294 1.00 0.00 O ATOM 0 H GLY A 9 22.783 3.039 -1.616 1.00 0.00 H new ATOM 0 HA2 GLY A 9 24.304 1.018 -0.153 1.00 0.00 H new ATOM 0 HA3 GLY A 9 22.955 1.981 0.415 1.00 0.00 H new ATOM 163 N GLY A 10 22.152 -0.121 -1.952 1.00 0.00 N ATOM 164 CA GLY A 10 21.331 -1.261 -2.355 1.00 0.00 C ATOM 165 C GLY A 10 19.938 -0.850 -2.796 1.00 0.00 C ATOM 166 O GLY A 10 19.557 0.329 -2.700 1.00 0.00 O ATOM 0 H GLY A 10 22.541 0.400 -2.738 1.00 0.00 H new ATOM 0 HA2 GLY A 10 21.825 -1.790 -3.170 1.00 0.00 H new ATOM 0 HA3 GLY A 10 21.253 -1.960 -1.523 1.00 0.00 H new ATOM 170 N THR A 11 19.182 -1.835 -3.291 1.00 0.00 N ATOM 171 CA THR A 11 17.766 -1.665 -3.603 1.00 0.00 C ATOM 172 C THR A 11 16.961 -1.914 -2.318 1.00 0.00 C ATOM 173 O THR A 11 17.030 -3.000 -1.736 1.00 0.00 O ATOM 174 CB THR A 11 17.300 -2.648 -4.731 1.00 0.00 C ATOM 175 OG1 THR A 11 18.159 -2.505 -5.871 1.00 0.00 O ATOM 176 CG2 THR A 11 15.835 -2.404 -5.152 1.00 0.00 C ATOM 0 H THR A 11 19.538 -2.771 -3.485 1.00 0.00 H new ATOM 0 HA THR A 11 17.600 -0.653 -3.972 1.00 0.00 H new ATOM 0 HB THR A 11 17.361 -3.661 -4.333 1.00 0.00 H new ATOM 0 HG1 THR A 11 18.560 -3.372 -6.089 1.00 0.00 H new ATOM 0 HG21 THR A 11 15.559 -3.110 -5.936 1.00 0.00 H new ATOM 0 HG22 THR A 11 15.181 -2.544 -4.291 1.00 0.00 H new ATOM 0 HG23 THR A 11 15.729 -1.386 -5.527 1.00 0.00 H new ATOM 184 N HIS A 12 16.245 -0.887 -1.859 1.00 0.00 N ATOM 185 CA HIS A 12 15.351 -0.976 -0.693 1.00 0.00 C ATOM 186 C HIS A 12 13.903 -1.059 -1.193 1.00 0.00 C ATOM 187 O HIS A 12 13.660 -1.022 -2.408 1.00 0.00 O ATOM 188 CB HIS A 12 15.572 0.239 0.243 1.00 0.00 C ATOM 189 CG HIS A 12 16.981 0.358 0.788 1.00 0.00 C ATOM 190 ND1 HIS A 12 17.320 0.064 2.093 1.00 0.00 N ATOM 191 CD2 HIS A 12 18.138 0.736 0.187 1.00 0.00 C ATOM 192 CE1 HIS A 12 18.612 0.260 2.266 1.00 0.00 C ATOM 193 NE2 HIS A 12 19.129 0.661 1.122 1.00 0.00 N ATOM 0 H HIS A 12 16.266 0.039 -2.286 1.00 0.00 H new ATOM 0 HA HIS A 12 15.571 -1.871 -0.111 1.00 0.00 H new ATOM 0 HB2 HIS A 12 15.327 1.151 -0.301 1.00 0.00 H new ATOM 0 HB3 HIS A 12 14.876 0.170 1.079 1.00 0.00 H new ATOM 0 HD2 HIS A 12 18.253 1.040 -0.843 1.00 0.00 H new ATOM 0 HE1 HIS A 12 19.155 0.116 3.189 1.00 0.00 H new ATOM 0 HE2 HIS A 12 20.112 0.880 0.961 1.00 0.00 H new ATOM 202 N LEU A 13 12.944 -1.191 -0.271 1.00 0.00 N ATOM 203 CA LEU A 13 11.535 -1.397 -0.630 1.00 0.00 C ATOM 204 C LEU A 13 10.639 -0.712 0.427 1.00 0.00 C ATOM 205 O LEU A 13 10.447 -1.238 1.528 1.00 0.00 O ATOM 206 CB LEU A 13 11.260 -2.935 -0.767 1.00 0.00 C ATOM 207 CG LEU A 13 10.047 -3.377 -1.660 1.00 0.00 C ATOM 208 CD1 LEU A 13 10.074 -4.900 -1.936 1.00 0.00 C ATOM 209 CD2 LEU A 13 8.696 -2.969 -1.044 1.00 0.00 C ATOM 0 H LEU A 13 13.118 -1.159 0.734 1.00 0.00 H new ATOM 0 HA LEU A 13 11.301 -0.942 -1.593 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.160 -3.403 -1.166 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.107 -3.340 0.233 1.00 0.00 H new ATOM 0 HG LEU A 13 10.152 -2.852 -2.609 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.221 -5.172 -2.557 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.997 -5.160 -2.454 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.023 -5.442 -0.992 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.886 -3.295 -1.696 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.586 -3.437 -0.066 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.659 -1.885 -0.934 1.00 0.00 H new ATOM 221 N LEU A 14 10.116 0.479 0.074 1.00 0.00 N ATOM 222 CA LEU A 14 9.217 1.270 0.932 1.00 0.00 C ATOM 223 C LEU A 14 7.788 0.701 0.865 1.00 0.00 C ATOM 224 O LEU A 14 7.148 0.760 -0.187 1.00 0.00 O ATOM 225 CB LEU A 14 9.179 2.770 0.505 1.00 0.00 C ATOM 226 CG LEU A 14 10.492 3.608 0.670 1.00 0.00 C ATOM 227 CD1 LEU A 14 11.559 3.262 -0.396 1.00 0.00 C ATOM 228 CD2 LEU A 14 10.179 5.127 0.685 1.00 0.00 C ATOM 0 H LEU A 14 10.309 0.922 -0.824 1.00 0.00 H new ATOM 0 HA LEU A 14 9.604 1.208 1.949 1.00 0.00 H new ATOM 0 HB2 LEU A 14 8.883 2.813 -0.543 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.393 3.262 1.078 1.00 0.00 H new ATOM 0 HG LEU A 14 10.923 3.337 1.634 1.00 0.00 H new ATOM 0 HD11 LEU A 14 12.447 3.873 -0.233 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.824 2.208 -0.317 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.158 3.462 -1.390 1.00 0.00 H new ATOM 0 HD21 LEU A 14 11.106 5.688 0.801 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.699 5.409 -0.252 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.512 5.353 1.517 1.00 0.00 H new ATOM 240 N GLN A 15 7.304 0.150 1.984 1.00 0.00 N ATOM 241 CA GLN A 15 5.921 -0.364 2.106 1.00 0.00 C ATOM 242 C GLN A 15 5.028 0.633 2.862 1.00 0.00 C ATOM 243 O GLN A 15 3.804 0.464 2.901 1.00 0.00 O ATOM 244 CB GLN A 15 5.944 -1.740 2.814 1.00 0.00 C ATOM 245 CG GLN A 15 6.788 -2.787 2.061 1.00 0.00 C ATOM 246 CD GLN A 15 6.895 -4.147 2.739 1.00 0.00 C ATOM 247 OE1 GLN A 15 6.009 -4.577 3.476 1.00 0.00 O ATOM 248 NE2 GLN A 15 7.972 -4.851 2.446 1.00 0.00 N ATOM 0 H GLN A 15 7.855 0.044 2.836 1.00 0.00 H new ATOM 0 HA GLN A 15 5.498 -0.487 1.109 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.340 -1.618 3.822 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.923 -2.108 2.915 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.361 -2.927 1.068 1.00 0.00 H new ATOM 0 HG3 GLN A 15 7.793 -2.388 1.923 1.00 0.00 H new ATOM 0 HE21 GLN A 15 8.685 -4.460 1.831 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.091 -5.786 2.835 1.00 0.00 H new ATOM 257 N GLY A 16 5.644 1.679 3.451 1.00 0.00 N ATOM 258 CA GLY A 16 4.912 2.732 4.176 1.00 0.00 C ATOM 259 C GLY A 16 4.406 3.846 3.266 1.00 0.00 C ATOM 260 O GLY A 16 4.473 5.028 3.621 1.00 0.00 O ATOM 0 H GLY A 16 6.655 1.815 3.437 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.066 2.284 4.697 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.564 3.161 4.937 1.00 0.00 H new ATOM 264 N LEU A 17 3.876 3.459 2.094 1.00 0.00 N ATOM 265 CA LEU A 17 3.350 4.391 1.086 1.00 0.00 C ATOM 266 C LEU A 17 1.853 4.130 0.866 1.00 0.00 C ATOM 267 O LEU A 17 1.453 3.004 0.552 1.00 0.00 O ATOM 268 CB LEU A 17 4.113 4.234 -0.258 1.00 0.00 C ATOM 269 CG LEU A 17 5.628 4.594 -0.231 1.00 0.00 C ATOM 270 CD1 LEU A 17 6.295 4.306 -1.594 1.00 0.00 C ATOM 271 CD2 LEU A 17 5.836 6.063 0.190 1.00 0.00 C ATOM 0 H LEU A 17 3.800 2.480 1.818 1.00 0.00 H new ATOM 0 HA LEU A 17 3.492 5.409 1.449 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.012 3.201 -0.592 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.625 4.860 -1.005 1.00 0.00 H new ATOM 0 HG LEU A 17 6.110 3.959 0.513 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.352 4.567 -1.544 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.194 3.247 -1.832 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.811 4.900 -2.369 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.902 6.291 0.202 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.332 6.720 -0.519 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.421 6.218 1.186 1.00 0.00 H new ATOM 283 N SER A 18 1.047 5.165 1.087 1.00 0.00 N ATOM 284 CA SER A 18 -0.384 5.195 0.736 1.00 0.00 C ATOM 285 C SER A 18 -0.563 5.914 -0.615 1.00 0.00 C ATOM 286 O SER A 18 0.386 6.512 -1.132 1.00 0.00 O ATOM 287 CB SER A 18 -1.181 5.913 1.852 1.00 0.00 C ATOM 288 OG SER A 18 -0.687 7.227 2.085 1.00 0.00 O ATOM 0 H SER A 18 1.370 6.028 1.524 1.00 0.00 H new ATOM 0 HA SER A 18 -0.764 4.178 0.644 1.00 0.00 H new ATOM 0 HB2 SER A 18 -2.234 5.963 1.574 1.00 0.00 H new ATOM 0 HB3 SER A 18 -1.122 5.333 2.773 1.00 0.00 H new ATOM 0 HG SER A 18 -1.213 7.653 2.794 1.00 0.00 H new ATOM 294 N SER A 19 -1.790 5.882 -1.161 1.00 0.00 N ATOM 295 CA SER A 19 -2.125 6.538 -2.444 1.00 0.00 C ATOM 296 C SER A 19 -1.929 8.067 -2.367 1.00 0.00 C ATOM 297 O SER A 19 -1.617 8.725 -3.370 1.00 0.00 O ATOM 298 CB SER A 19 -3.582 6.202 -2.833 1.00 0.00 C ATOM 299 OG SER A 19 -3.795 4.798 -2.867 1.00 0.00 O ATOM 0 H SER A 19 -2.580 5.402 -0.729 1.00 0.00 H new ATOM 0 HA SER A 19 -1.447 6.159 -3.209 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.266 6.659 -2.118 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.808 6.630 -3.809 1.00 0.00 H new ATOM 0 HG SER A 19 -2.988 4.353 -3.199 1.00 0.00 H new ATOM 305 N ARG A 20 -2.108 8.619 -1.149 1.00 0.00 N ATOM 306 CA ARG A 20 -2.033 10.062 -0.886 1.00 0.00 C ATOM 307 C ARG A 20 -0.795 10.436 -0.051 1.00 0.00 C ATOM 308 O ARG A 20 -0.809 11.440 0.676 1.00 0.00 O ATOM 309 CB ARG A 20 -3.355 10.540 -0.212 1.00 0.00 C ATOM 310 CG ARG A 20 -4.600 10.484 -1.136 1.00 0.00 C ATOM 311 CD ARG A 20 -4.424 11.349 -2.399 1.00 0.00 C ATOM 312 NE ARG A 20 -5.574 11.283 -3.315 1.00 0.00 N ATOM 313 CZ ARG A 20 -5.552 11.677 -4.602 1.00 0.00 C ATOM 314 NH1 ARG A 20 -4.429 12.118 -5.172 1.00 0.00 N ATOM 315 NH2 ARG A 20 -6.664 11.632 -5.314 1.00 0.00 N ATOM 0 H ARG A 20 -2.310 8.066 -0.316 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.919 10.580 -1.838 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.543 9.926 0.669 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.222 11.564 0.136 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.788 9.451 -1.428 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.476 10.824 -0.584 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.264 12.385 -2.102 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.527 11.028 -2.929 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.451 10.912 -2.948 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.565 12.161 -4.631 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.434 12.412 -6.149 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.529 11.301 -4.888 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.657 11.929 -6.290 1.00 0.00 H new ATOM 329 N THR A 21 0.291 9.650 -0.191 1.00 0.00 N ATOM 330 CA THR A 21 1.611 10.047 0.318 1.00 0.00 C ATOM 331 C THR A 21 2.152 11.194 -0.553 1.00 0.00 C ATOM 332 O THR A 21 2.284 11.062 -1.773 1.00 0.00 O ATOM 333 CB THR A 21 2.620 8.857 0.342 1.00 0.00 C ATOM 334 OG1 THR A 21 2.085 7.814 1.155 1.00 0.00 O ATOM 335 CG2 THR A 21 4.005 9.263 0.886 1.00 0.00 C ATOM 0 H THR A 21 0.276 8.740 -0.651 1.00 0.00 H new ATOM 0 HA THR A 21 1.496 10.378 1.350 1.00 0.00 H new ATOM 0 HB THR A 21 2.760 8.523 -0.686 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.124 7.958 1.282 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.666 8.397 0.880 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.428 10.046 0.257 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.901 9.633 1.906 1.00 0.00 H new ATOM 343 N ARG A 22 2.421 12.323 0.091 1.00 0.00 N ATOM 344 CA ARG A 22 2.818 13.573 -0.568 1.00 0.00 C ATOM 345 C ARG A 22 4.342 13.634 -0.706 1.00 0.00 C ATOM 346 O ARG A 22 5.023 12.812 -0.113 1.00 0.00 O ATOM 347 CB ARG A 22 2.266 14.744 0.271 1.00 0.00 C ATOM 348 CG ARG A 22 0.733 14.673 0.435 1.00 0.00 C ATOM 349 CD ARG A 22 0.178 15.672 1.445 1.00 0.00 C ATOM 350 NE ARG A 22 0.667 15.387 2.799 1.00 0.00 N ATOM 351 CZ ARG A 22 0.720 16.267 3.802 1.00 0.00 C ATOM 352 NH1 ARG A 22 0.335 17.526 3.633 1.00 0.00 N ATOM 353 NH2 ARG A 22 1.166 15.877 4.979 1.00 0.00 N ATOM 0 H ARG A 22 2.370 12.403 1.107 1.00 0.00 H new ATOM 0 HA ARG A 22 2.408 13.632 -1.576 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.735 14.737 1.255 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.535 15.687 -0.204 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.264 14.850 -0.533 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.456 13.665 0.744 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.467 16.683 1.157 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.911 15.637 1.434 1.00 0.00 H new ATOM 0 HE ARG A 22 0.993 14.439 2.990 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.009 17.837 2.724 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.383 18.183 4.412 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.466 14.912 5.116 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.211 16.540 5.753 1.00 0.00 H new ATOM 367 N LEU A 23 4.855 14.618 -1.483 1.00 0.00 N ATOM 368 CA LEU A 23 6.313 14.796 -1.744 1.00 0.00 C ATOM 369 C LEU A 23 7.128 14.835 -0.432 1.00 0.00 C ATOM 370 O LEU A 23 8.112 14.096 -0.276 1.00 0.00 O ATOM 371 CB LEU A 23 6.561 16.101 -2.557 1.00 0.00 C ATOM 372 CG LEU A 23 8.043 16.613 -2.623 1.00 0.00 C ATOM 373 CD1 LEU A 23 8.979 15.598 -3.298 1.00 0.00 C ATOM 374 CD2 LEU A 23 8.140 17.992 -3.302 1.00 0.00 C ATOM 0 H LEU A 23 4.273 15.314 -1.949 1.00 0.00 H new ATOM 0 HA LEU A 23 6.649 13.936 -2.324 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.210 15.940 -3.576 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.945 16.892 -2.129 1.00 0.00 H new ATOM 0 HG LEU A 23 8.378 16.725 -1.592 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.993 15.997 -3.320 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.969 14.664 -2.736 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.640 15.412 -4.317 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.182 18.312 -3.328 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.755 17.924 -4.320 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.552 18.717 -2.739 1.00 0.00 H new ATOM 386 N ARG A 24 6.683 15.707 0.491 1.00 0.00 N ATOM 387 CA ARG A 24 7.317 15.903 1.810 1.00 0.00 C ATOM 388 C ARG A 24 7.429 14.571 2.597 1.00 0.00 C ATOM 389 O ARG A 24 8.404 14.346 3.320 1.00 0.00 O ATOM 390 CB ARG A 24 6.516 16.955 2.633 1.00 0.00 C ATOM 391 CG ARG A 24 5.000 16.645 2.770 1.00 0.00 C ATOM 392 CD ARG A 24 4.314 17.444 3.887 1.00 0.00 C ATOM 393 NE ARG A 24 4.849 17.054 5.203 1.00 0.00 N ATOM 394 CZ ARG A 24 4.931 17.832 6.289 1.00 0.00 C ATOM 395 NH1 ARG A 24 4.477 19.076 6.273 1.00 0.00 N ATOM 396 NH2 ARG A 24 5.469 17.343 7.397 1.00 0.00 N ATOM 0 H ARG A 24 5.867 16.301 0.342 1.00 0.00 H new ATOM 0 HA ARG A 24 8.330 16.270 1.644 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.951 17.026 3.630 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.634 17.932 2.163 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.505 16.860 1.823 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.870 15.580 2.963 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.469 18.511 3.727 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.238 17.270 3.859 1.00 0.00 H new ATOM 0 HE ARG A 24 5.190 16.097 5.296 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.057 19.455 5.424 1.00 0.00 H new ATOM 0 HH12 ARG A 24 4.547 19.655 7.110 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.815 16.384 7.416 1.00 0.00 H new ATOM 0 HH22 ARG A 24 5.537 17.926 8.231 1.00 0.00 H new ATOM 410 N GLU A 25 6.429 13.693 2.411 1.00 0.00 N ATOM 411 CA GLU A 25 6.330 12.400 3.115 1.00 0.00 C ATOM 412 C GLU A 25 7.080 11.297 2.345 1.00 0.00 C ATOM 413 O GLU A 25 7.630 10.383 2.947 1.00 0.00 O ATOM 414 CB GLU A 25 4.833 12.018 3.288 1.00 0.00 C ATOM 415 CG GLU A 25 3.977 13.135 3.916 1.00 0.00 C ATOM 416 CD GLU A 25 2.488 12.786 4.059 1.00 0.00 C ATOM 417 OE1 GLU A 25 1.862 12.412 3.051 1.00 0.00 O ATOM 418 OE2 GLU A 25 1.928 12.933 5.166 1.00 0.00 O ATOM 0 H GLU A 25 5.660 13.861 1.763 1.00 0.00 H new ATOM 0 HA GLU A 25 6.794 12.497 4.097 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.418 11.759 2.314 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.764 11.126 3.911 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.378 13.374 4.901 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.071 14.034 3.307 1.00 0.00 H new ATOM 425 N LEU A 26 7.111 11.425 1.009 1.00 0.00 N ATOM 426 CA LEU A 26 7.680 10.420 0.099 1.00 0.00 C ATOM 427 C LEU A 26 9.210 10.474 0.193 1.00 0.00 C ATOM 428 O LEU A 26 9.840 9.546 0.717 1.00 0.00 O ATOM 429 CB LEU A 26 7.128 10.679 -1.352 1.00 0.00 C ATOM 430 CG LEU A 26 7.610 9.750 -2.535 1.00 0.00 C ATOM 431 CD1 LEU A 26 8.940 10.219 -3.155 1.00 0.00 C ATOM 432 CD2 LEU A 26 7.683 8.270 -2.100 1.00 0.00 C ATOM 0 H LEU A 26 6.736 12.241 0.525 1.00 0.00 H new ATOM 0 HA LEU A 26 7.383 9.409 0.376 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.041 10.615 -1.306 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.376 11.706 -1.619 1.00 0.00 H new ATOM 0 HG LEU A 26 6.856 9.832 -3.318 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.223 9.544 -3.963 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.821 11.228 -3.550 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.718 10.217 -2.391 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.018 7.660 -2.939 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.386 8.168 -1.274 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.696 7.936 -1.780 1.00 0.00 H new ATOM 444 N GLN A 27 9.785 11.606 -0.261 1.00 0.00 N ATOM 445 CA GLN A 27 11.235 11.854 -0.199 1.00 0.00 C ATOM 446 C GLN A 27 11.715 11.986 1.257 1.00 0.00 C ATOM 447 O GLN A 27 12.908 11.814 1.539 1.00 0.00 O ATOM 448 CB GLN A 27 11.630 13.109 -1.021 1.00 0.00 C ATOM 449 CG GLN A 27 11.502 12.934 -2.551 1.00 0.00 C ATOM 450 CD GLN A 27 12.186 14.050 -3.351 1.00 0.00 C ATOM 451 OE1 GLN A 27 12.246 15.196 -2.918 1.00 0.00 O ATOM 452 NE2 GLN A 27 12.745 13.717 -4.501 1.00 0.00 N ATOM 0 H GLN A 27 9.256 12.371 -0.680 1.00 0.00 H new ATOM 0 HA GLN A 27 11.732 10.992 -0.643 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.004 13.945 -0.709 1.00 0.00 H new ATOM 0 HB3 GLN A 27 12.660 13.376 -0.783 1.00 0.00 H new ATOM 0 HG2 GLN A 27 11.934 11.975 -2.837 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.446 12.900 -2.818 1.00 0.00 H new ATOM 0 HE21 GLN A 27 12.681 12.757 -4.840 1.00 0.00 H new ATOM 0 HE22 GLN A 27 13.240 14.420 -5.050 1.00 0.00 H new ATOM 461 N GLY A 28 10.762 12.295 2.162 1.00 0.00 N ATOM 462 CA GLY A 28 11.014 12.315 3.600 1.00 0.00 C ATOM 463 C GLY A 28 11.293 10.918 4.142 1.00 0.00 C ATOM 464 O GLY A 28 12.220 10.723 4.932 1.00 0.00 O ATOM 0 H GLY A 28 9.804 12.535 1.908 1.00 0.00 H new ATOM 0 HA2 GLY A 28 11.864 12.964 3.812 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.152 12.740 4.115 1.00 0.00 H new ATOM 468 N GLN A 29 10.509 9.925 3.669 1.00 0.00 N ATOM 469 CA GLN A 29 10.677 8.514 4.079 1.00 0.00 C ATOM 470 C GLN A 29 11.921 7.922 3.422 1.00 0.00 C ATOM 471 O GLN A 29 12.613 7.150 4.047 1.00 0.00 O ATOM 472 CB GLN A 29 9.410 7.669 3.760 1.00 0.00 C ATOM 473 CG GLN A 29 8.242 7.914 4.741 1.00 0.00 C ATOM 474 CD GLN A 29 6.923 7.240 4.356 1.00 0.00 C ATOM 475 OE1 GLN A 29 6.626 7.163 3.073 1.00 0.00 O flip ATOM 476 NE2 GLN A 29 6.148 6.836 5.220 1.00 0.00 N flip ATOM 0 H GLN A 29 9.752 10.075 3.002 1.00 0.00 H new ATOM 0 HA GLN A 29 10.811 8.487 5.160 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.077 7.896 2.747 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.674 6.612 3.779 1.00 0.00 H new ATOM 0 HG2 GLN A 29 8.538 7.562 5.730 1.00 0.00 H new ATOM 0 HG3 GLN A 29 8.074 8.988 4.822 1.00 0.00 H new ATOM 0 HE21 GLN A 29 6.401 6.907 6.206 1.00 0.00 H new ATOM 0 HE22 GLN A 29 5.252 6.430 4.952 1.00 0.00 H new ATOM 485 N ILE A 30 12.206 8.328 2.174 1.00 0.00 N ATOM 486 CA ILE A 30 13.411 7.889 1.431 1.00 0.00 C ATOM 487 C ILE A 30 14.704 8.362 2.159 1.00 0.00 C ATOM 488 O ILE A 30 15.700 7.629 2.226 1.00 0.00 O ATOM 489 CB ILE A 30 13.363 8.412 -0.055 1.00 0.00 C ATOM 490 CG1 ILE A 30 12.146 7.781 -0.817 1.00 0.00 C ATOM 491 CG2 ILE A 30 14.688 8.146 -0.811 1.00 0.00 C ATOM 492 CD1 ILE A 30 11.930 8.283 -2.233 1.00 0.00 C ATOM 0 H ILE A 30 11.612 8.969 1.648 1.00 0.00 H new ATOM 0 HA ILE A 30 13.426 6.800 1.401 1.00 0.00 H new ATOM 0 HB ILE A 30 13.232 9.493 -0.018 1.00 0.00 H new ATOM 0 HG12 ILE A 30 12.281 6.700 -0.850 1.00 0.00 H new ATOM 0 HG13 ILE A 30 11.241 7.971 -0.241 1.00 0.00 H new ATOM 0 HG21 ILE A 30 14.607 8.524 -1.830 1.00 0.00 H new ATOM 0 HG22 ILE A 30 15.507 8.653 -0.300 1.00 0.00 H new ATOM 0 HG23 ILE A 30 14.884 7.074 -0.836 1.00 0.00 H new ATOM 0 HD11 ILE A 30 11.065 7.783 -2.668 1.00 0.00 H new ATOM 0 HD12 ILE A 30 11.757 9.359 -2.215 1.00 0.00 H new ATOM 0 HD13 ILE A 30 12.813 8.068 -2.834 1.00 0.00 H new ATOM 504 N ALA A 31 14.647 9.580 2.727 1.00 0.00 N ATOM 505 CA ALA A 31 15.728 10.150 3.569 1.00 0.00 C ATOM 506 C ALA A 31 15.949 9.329 4.866 1.00 0.00 C ATOM 507 O ALA A 31 17.028 9.381 5.462 1.00 0.00 O ATOM 508 CB ALA A 31 15.420 11.625 3.890 1.00 0.00 C ATOM 0 H ALA A 31 13.848 10.204 2.618 1.00 0.00 H new ATOM 0 HA ALA A 31 16.659 10.098 3.004 1.00 0.00 H new ATOM 0 HB1 ALA A 31 16.218 12.037 4.508 1.00 0.00 H new ATOM 0 HB2 ALA A 31 15.350 12.192 2.962 1.00 0.00 H new ATOM 0 HB3 ALA A 31 14.474 11.691 4.427 1.00 0.00 H new ATOM 514 N ALA A 32 14.901 8.610 5.305 1.00 0.00 N ATOM 515 CA ALA A 32 14.939 7.740 6.507 1.00 0.00 C ATOM 516 C ALA A 32 15.240 6.263 6.140 1.00 0.00 C ATOM 517 O ALA A 32 15.764 5.511 6.966 1.00 0.00 O ATOM 518 CB ALA A 32 13.609 7.851 7.275 1.00 0.00 C ATOM 0 H ALA A 32 13.995 8.612 4.837 1.00 0.00 H new ATOM 0 HA ALA A 32 15.752 8.083 7.147 1.00 0.00 H new ATOM 0 HB1 ALA A 32 13.643 7.210 8.156 1.00 0.00 H new ATOM 0 HB2 ALA A 32 13.452 8.885 7.584 1.00 0.00 H new ATOM 0 HB3 ALA A 32 12.789 7.537 6.629 1.00 0.00 H new ATOM 524 N ILE A 33 14.904 5.865 4.894 1.00 0.00 N ATOM 525 CA ILE A 33 15.056 4.478 4.389 1.00 0.00 C ATOM 526 C ILE A 33 16.500 4.231 3.920 1.00 0.00 C ATOM 527 O ILE A 33 17.226 3.423 4.499 1.00 0.00 O ATOM 528 CB ILE A 33 14.026 4.195 3.202 1.00 0.00 C ATOM 529 CG1 ILE A 33 12.555 4.088 3.736 1.00 0.00 C ATOM 530 CG2 ILE A 33 14.396 2.940 2.367 1.00 0.00 C ATOM 531 CD1 ILE A 33 12.258 2.853 4.570 1.00 0.00 C ATOM 0 H ILE A 33 14.515 6.503 4.200 1.00 0.00 H new ATOM 0 HA ILE A 33 14.835 3.790 5.205 1.00 0.00 H new ATOM 0 HB ILE A 33 14.093 5.053 2.533 1.00 0.00 H new ATOM 0 HG12 ILE A 33 12.338 4.972 4.335 1.00 0.00 H new ATOM 0 HG13 ILE A 33 11.874 4.104 2.885 1.00 0.00 H new ATOM 0 HG21 ILE A 33 13.660 2.799 1.576 1.00 0.00 H new ATOM 0 HG22 ILE A 33 15.383 3.075 1.924 1.00 0.00 H new ATOM 0 HG23 ILE A 33 14.406 2.063 3.014 1.00 0.00 H new ATOM 0 HD11 ILE A 33 11.217 2.873 4.891 1.00 0.00 H new ATOM 0 HD12 ILE A 33 12.437 1.959 3.973 1.00 0.00 H new ATOM 0 HD13 ILE A 33 12.907 2.840 5.445 1.00 0.00 H new ATOM 543 N THR A 34 16.896 4.952 2.866 1.00 0.00 N ATOM 544 CA THR A 34 18.199 4.787 2.198 1.00 0.00 C ATOM 545 C THR A 34 19.127 5.992 2.489 1.00 0.00 C ATOM 546 O THR A 34 20.275 6.030 2.023 1.00 0.00 O ATOM 547 CB THR A 34 17.986 4.563 0.659 1.00 0.00 C ATOM 548 OG1 THR A 34 19.237 4.432 -0.026 1.00 0.00 O ATOM 549 CG2 THR A 34 17.158 5.682 0.018 1.00 0.00 C ATOM 0 H THR A 34 16.316 5.677 2.444 1.00 0.00 H new ATOM 0 HA THR A 34 18.696 3.904 2.599 1.00 0.00 H new ATOM 0 HB THR A 34 17.428 3.632 0.559 1.00 0.00 H new ATOM 0 HG1 THR A 34 19.923 4.952 0.443 1.00 0.00 H new ATOM 0 HG21 THR A 34 17.038 5.482 -1.047 1.00 0.00 H new ATOM 0 HG22 THR A 34 16.177 5.726 0.492 1.00 0.00 H new ATOM 0 HG23 THR A 34 17.669 6.635 0.153 1.00 0.00 H new ATOM 557 N GLY A 35 18.616 6.970 3.271 1.00 0.00 N ATOM 558 CA GLY A 35 19.428 8.077 3.785 1.00 0.00 C ATOM 559 C GLY A 35 19.693 9.184 2.775 1.00 0.00 C ATOM 560 O GLY A 35 20.538 10.046 3.029 1.00 0.00 O ATOM 0 H GLY A 35 17.638 7.007 3.557 1.00 0.00 H new ATOM 0 HA2 GLY A 35 18.928 8.506 4.653 1.00 0.00 H new ATOM 0 HA3 GLY A 35 20.383 7.681 4.131 1.00 0.00 H new ATOM 564 N ILE A 36 18.981 9.174 1.630 1.00 0.00 N ATOM 565 CA ILE A 36 19.238 10.140 0.538 1.00 0.00 C ATOM 566 C ILE A 36 18.471 11.454 0.758 1.00 0.00 C ATOM 567 O ILE A 36 17.257 11.435 1.006 1.00 0.00 O ATOM 568 CB ILE A 36 18.879 9.548 -0.874 1.00 0.00 C ATOM 569 CG1 ILE A 36 19.612 8.180 -1.122 1.00 0.00 C ATOM 570 CG2 ILE A 36 19.186 10.564 -2.012 1.00 0.00 C ATOM 571 CD1 ILE A 36 21.105 8.155 -0.812 1.00 0.00 C ATOM 0 H ILE A 36 18.228 8.513 1.436 1.00 0.00 H new ATOM 0 HA ILE A 36 20.308 10.347 0.558 1.00 0.00 H new ATOM 0 HB ILE A 36 17.806 9.357 -0.885 1.00 0.00 H new ATOM 0 HG12 ILE A 36 19.123 7.414 -0.519 1.00 0.00 H new ATOM 0 HG13 ILE A 36 19.473 7.900 -2.166 1.00 0.00 H new ATOM 0 HG21 ILE A 36 18.926 10.122 -2.974 1.00 0.00 H new ATOM 0 HG22 ILE A 36 18.600 11.470 -1.859 1.00 0.00 H new ATOM 0 HG23 ILE A 36 20.247 10.812 -2.002 1.00 0.00 H new ATOM 0 HD11 ILE A 36 21.503 7.162 -1.020 1.00 0.00 H new ATOM 0 HD12 ILE A 36 21.618 8.889 -1.433 1.00 0.00 H new ATOM 0 HD13 ILE A 36 21.262 8.396 0.239 1.00 0.00 H new ATOM 583 N ALA A 37 19.199 12.580 0.621 1.00 0.00 N ATOM 584 CA ALA A 37 18.657 13.936 0.769 1.00 0.00 C ATOM 585 C ALA A 37 17.578 14.201 -0.299 1.00 0.00 C ATOM 586 O ALA A 37 17.834 13.940 -1.476 1.00 0.00 O ATOM 587 CB ALA A 37 19.800 14.962 0.642 1.00 0.00 C ATOM 0 H ALA A 37 20.195 12.567 0.401 1.00 0.00 H new ATOM 0 HA ALA A 37 18.196 14.033 1.752 1.00 0.00 H new ATOM 0 HB1 ALA A 37 19.399 15.969 0.752 1.00 0.00 H new ATOM 0 HB2 ALA A 37 20.541 14.780 1.421 1.00 0.00 H new ATOM 0 HB3 ALA A 37 20.270 14.863 -0.336 1.00 0.00 H new ATOM 593 N PRO A 38 16.365 14.727 0.094 1.00 0.00 N ATOM 594 CA PRO A 38 15.258 15.036 -0.858 1.00 0.00 C ATOM 595 C PRO A 38 15.663 16.039 -1.970 1.00 0.00 C ATOM 596 O PRO A 38 15.078 16.042 -3.057 1.00 0.00 O ATOM 597 CB PRO A 38 14.146 15.616 0.066 1.00 0.00 C ATOM 598 CG PRO A 38 14.862 16.058 1.304 1.00 0.00 C ATOM 599 CD PRO A 38 15.966 15.052 1.497 1.00 0.00 C ATOM 0 HA PRO A 38 14.944 14.154 -1.417 1.00 0.00 H new ATOM 0 HB2 PRO A 38 13.632 16.450 -0.411 1.00 0.00 H new ATOM 0 HB3 PRO A 38 13.391 14.864 0.294 1.00 0.00 H new ATOM 0 HG2 PRO A 38 15.262 17.066 1.190 1.00 0.00 H new ATOM 0 HG3 PRO A 38 14.191 16.077 2.163 1.00 0.00 H new ATOM 0 HD2 PRO A 38 16.796 15.467 2.068 1.00 0.00 H new ATOM 0 HD3 PRO A 38 15.620 14.169 2.034 1.00 0.00 H new ATOM 607 N GLY A 39 16.685 16.874 -1.676 1.00 0.00 N ATOM 608 CA GLY A 39 17.201 17.863 -2.633 1.00 0.00 C ATOM 609 C GLY A 39 18.166 17.277 -3.671 1.00 0.00 C ATOM 610 O GLY A 39 18.624 17.998 -4.561 1.00 0.00 O ATOM 0 H GLY A 39 17.167 16.878 -0.777 1.00 0.00 H new ATOM 0 HA2 GLY A 39 16.361 18.325 -3.152 1.00 0.00 H new ATOM 0 HA3 GLY A 39 17.710 18.655 -2.084 1.00 0.00 H new ATOM 614 N SER A 40 18.484 15.976 -3.549 1.00 0.00 N ATOM 615 CA SER A 40 19.391 15.259 -4.477 1.00 0.00 C ATOM 616 C SER A 40 18.586 14.298 -5.377 1.00 0.00 C ATOM 617 O SER A 40 18.745 14.282 -6.607 1.00 0.00 O ATOM 618 CB SER A 40 20.451 14.487 -3.653 1.00 0.00 C ATOM 619 OG SER A 40 21.234 15.367 -2.858 1.00 0.00 O ATOM 0 H SER A 40 18.120 15.385 -2.802 1.00 0.00 H new ATOM 0 HA SER A 40 19.896 15.976 -5.124 1.00 0.00 H new ATOM 0 HB2 SER A 40 19.955 13.759 -3.011 1.00 0.00 H new ATOM 0 HB3 SER A 40 21.101 13.928 -4.326 1.00 0.00 H new ATOM 0 HG SER A 40 22.172 15.084 -2.883 1.00 0.00 H new ATOM 625 N GLN A 41 17.711 13.517 -4.731 1.00 0.00 N ATOM 626 CA GLN A 41 16.849 12.521 -5.403 1.00 0.00 C ATOM 627 C GLN A 41 15.661 13.198 -6.112 1.00 0.00 C ATOM 628 O GLN A 41 15.243 14.297 -5.737 1.00 0.00 O ATOM 629 CB GLN A 41 16.313 11.474 -4.380 1.00 0.00 C ATOM 630 CG GLN A 41 15.842 12.088 -3.034 1.00 0.00 C ATOM 631 CD GLN A 41 14.759 11.326 -2.305 1.00 0.00 C ATOM 632 OE1 GLN A 41 13.932 10.659 -2.919 1.00 0.00 O ATOM 633 NE2 GLN A 41 14.733 11.456 -0.982 1.00 0.00 N ATOM 0 H GLN A 41 17.576 13.554 -3.721 1.00 0.00 H new ATOM 0 HA GLN A 41 17.460 12.014 -6.150 1.00 0.00 H new ATOM 0 HB2 GLN A 41 15.481 10.933 -4.831 1.00 0.00 H new ATOM 0 HB3 GLN A 41 17.097 10.743 -4.180 1.00 0.00 H new ATOM 0 HG2 GLN A 41 16.705 12.175 -2.374 1.00 0.00 H new ATOM 0 HG3 GLN A 41 15.483 13.099 -3.224 1.00 0.00 H new ATOM 0 HE21 GLN A 41 15.440 12.020 -0.511 1.00 0.00 H new ATOM 0 HE22 GLN A 41 14.006 10.991 -0.438 1.00 0.00 H new ATOM 642 N ARG A 42 15.156 12.526 -7.159 1.00 0.00 N ATOM 643 CA ARG A 42 13.873 12.857 -7.830 1.00 0.00 C ATOM 644 C ARG A 42 13.255 11.569 -8.395 1.00 0.00 C ATOM 645 O ARG A 42 13.921 10.524 -8.449 1.00 0.00 O ATOM 646 CB ARG A 42 14.020 13.949 -8.946 1.00 0.00 C ATOM 647 CG ARG A 42 15.204 13.776 -9.942 1.00 0.00 C ATOM 648 CD ARG A 42 16.526 14.350 -9.395 1.00 0.00 C ATOM 649 NE ARG A 42 17.635 14.197 -10.350 1.00 0.00 N ATOM 650 CZ ARG A 42 18.563 15.126 -10.626 1.00 0.00 C ATOM 651 NH1 ARG A 42 18.533 16.324 -10.048 1.00 0.00 N ATOM 652 NH2 ARG A 42 19.547 14.827 -11.459 1.00 0.00 N ATOM 0 H ARG A 42 15.629 11.724 -7.575 1.00 0.00 H new ATOM 0 HA ARG A 42 13.211 13.292 -7.082 1.00 0.00 H new ATOM 0 HB2 ARG A 42 13.094 13.976 -9.520 1.00 0.00 H new ATOM 0 HB3 ARG A 42 14.123 14.920 -8.461 1.00 0.00 H new ATOM 0 HG2 ARG A 42 15.336 12.717 -10.164 1.00 0.00 H new ATOM 0 HG3 ARG A 42 14.959 14.270 -10.882 1.00 0.00 H new ATOM 0 HD2 ARG A 42 16.393 15.406 -9.162 1.00 0.00 H new ATOM 0 HD3 ARG A 42 16.780 13.847 -8.462 1.00 0.00 H new ATOM 0 HE ARG A 42 17.704 13.308 -10.845 1.00 0.00 H new ATOM 0 HH11 ARG A 42 17.795 16.550 -9.381 1.00 0.00 H new ATOM 0 HH12 ARG A 42 19.248 17.016 -10.272 1.00 0.00 H new ATOM 0 HH21 ARG A 42 19.593 13.900 -11.882 1.00 0.00 H new ATOM 0 HH22 ARG A 42 20.259 15.524 -11.678 1.00 0.00 H new ATOM 666 N ILE A 43 11.975 11.656 -8.821 1.00 0.00 N ATOM 667 CA ILE A 43 11.206 10.479 -9.268 1.00 0.00 C ATOM 668 C ILE A 43 11.590 10.105 -10.701 1.00 0.00 C ATOM 669 O ILE A 43 11.226 10.775 -11.681 1.00 0.00 O ATOM 670 CB ILE A 43 9.648 10.674 -9.151 1.00 0.00 C ATOM 671 CG1 ILE A 43 9.254 11.029 -7.684 1.00 0.00 C ATOM 672 CG2 ILE A 43 8.885 9.407 -9.636 1.00 0.00 C ATOM 673 CD1 ILE A 43 9.731 10.043 -6.629 1.00 0.00 C ATOM 0 H ILE A 43 11.454 12.532 -8.864 1.00 0.00 H new ATOM 0 HA ILE A 43 11.468 9.663 -8.594 1.00 0.00 H new ATOM 0 HB ILE A 43 9.360 11.503 -9.798 1.00 0.00 H new ATOM 0 HG12 ILE A 43 9.655 12.014 -7.445 1.00 0.00 H new ATOM 0 HG13 ILE A 43 8.168 11.104 -7.624 1.00 0.00 H new ATOM 0 HG21 ILE A 43 7.811 9.571 -9.543 1.00 0.00 H new ATOM 0 HG22 ILE A 43 9.133 9.210 -10.679 1.00 0.00 H new ATOM 0 HG23 ILE A 43 9.175 8.552 -9.026 1.00 0.00 H new ATOM 0 HD11 ILE A 43 9.407 10.379 -5.644 1.00 0.00 H new ATOM 0 HD12 ILE A 43 9.310 9.059 -6.834 1.00 0.00 H new ATOM 0 HD13 ILE A 43 10.819 9.984 -6.652 1.00 0.00 H new ATOM 685 N LEU A 44 12.384 9.050 -10.764 1.00 0.00 N ATOM 686 CA LEU A 44 12.863 8.419 -11.984 1.00 0.00 C ATOM 687 C LEU A 44 12.401 6.969 -11.915 1.00 0.00 C ATOM 688 O LEU A 44 12.468 6.373 -10.850 1.00 0.00 O ATOM 689 CB LEU A 44 14.403 8.552 -12.012 1.00 0.00 C ATOM 690 CG LEU A 44 14.923 10.012 -11.804 1.00 0.00 C ATOM 691 CD1 LEU A 44 16.404 10.048 -11.393 1.00 0.00 C ATOM 692 CD2 LEU A 44 14.653 10.895 -13.047 1.00 0.00 C ATOM 0 H LEU A 44 12.730 8.586 -9.924 1.00 0.00 H new ATOM 0 HA LEU A 44 12.480 8.875 -12.897 1.00 0.00 H new ATOM 0 HB2 LEU A 44 14.826 7.913 -11.236 1.00 0.00 H new ATOM 0 HB3 LEU A 44 14.772 8.179 -12.968 1.00 0.00 H new ATOM 0 HG LEU A 44 14.356 10.434 -10.974 1.00 0.00 H new ATOM 0 HD11 LEU A 44 16.720 11.083 -11.260 1.00 0.00 H new ATOM 0 HD12 LEU A 44 16.535 9.506 -10.457 1.00 0.00 H new ATOM 0 HD13 LEU A 44 17.009 9.581 -12.170 1.00 0.00 H new ATOM 0 HD21 LEU A 44 15.028 11.902 -12.866 1.00 0.00 H new ATOM 0 HD22 LEU A 44 15.160 10.469 -13.913 1.00 0.00 H new ATOM 0 HD23 LEU A 44 13.581 10.936 -13.238 1.00 0.00 H new ATOM 704 N VAL A 45 11.903 6.421 -13.019 1.00 0.00 N ATOM 705 CA VAL A 45 11.212 5.103 -13.022 1.00 0.00 C ATOM 706 C VAL A 45 11.843 4.138 -14.040 1.00 0.00 C ATOM 707 O VAL A 45 12.811 4.497 -14.725 1.00 0.00 O ATOM 708 CB VAL A 45 9.665 5.281 -13.290 1.00 0.00 C ATOM 709 CG1 VAL A 45 8.961 5.959 -12.086 1.00 0.00 C ATOM 710 CG2 VAL A 45 9.417 6.076 -14.599 1.00 0.00 C ATOM 0 H VAL A 45 11.958 6.861 -13.938 1.00 0.00 H new ATOM 0 HA VAL A 45 11.337 4.661 -12.033 1.00 0.00 H new ATOM 0 HB VAL A 45 9.232 4.288 -13.411 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.898 6.068 -12.300 1.00 0.00 H new ATOM 0 HG12 VAL A 45 9.091 5.344 -11.195 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.399 6.942 -11.915 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.345 6.185 -14.761 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.874 7.062 -14.518 1.00 0.00 H new ATOM 0 HG23 VAL A 45 9.858 5.540 -15.439 1.00 0.00 H new ATOM 720 N GLY A 46 11.283 2.902 -14.094 1.00 0.00 N ATOM 721 CA GLY A 46 11.773 1.831 -14.970 1.00 0.00 C ATOM 722 C GLY A 46 11.807 2.216 -16.450 1.00 0.00 C ATOM 723 O GLY A 46 12.824 2.011 -17.130 1.00 0.00 O ATOM 0 H GLY A 46 10.480 2.630 -13.527 1.00 0.00 H new ATOM 0 HA2 GLY A 46 12.777 1.546 -14.654 1.00 0.00 H new ATOM 0 HA3 GLY A 46 11.139 0.953 -14.846 1.00 0.00 H new ATOM 727 N TYR A 47 10.687 2.782 -16.945 1.00 0.00 N ATOM 728 CA TYR A 47 10.610 3.343 -18.316 1.00 0.00 C ATOM 729 C TYR A 47 11.235 4.767 -18.342 1.00 0.00 C ATOM 730 O TYR A 47 11.288 5.405 -17.286 1.00 0.00 O ATOM 731 CB TYR A 47 9.138 3.345 -18.844 1.00 0.00 C ATOM 732 CG TYR A 47 8.105 4.100 -17.982 1.00 0.00 C ATOM 733 CD1 TYR A 47 7.882 5.474 -18.132 1.00 0.00 C ATOM 734 CD2 TYR A 47 7.339 3.425 -17.034 1.00 0.00 C ATOM 735 CE1 TYR A 47 6.951 6.136 -17.356 1.00 0.00 C ATOM 736 CE2 TYR A 47 6.412 4.084 -16.258 1.00 0.00 C ATOM 737 CZ TYR A 47 6.216 5.432 -16.426 1.00 0.00 C ATOM 738 OH TYR A 47 5.280 6.081 -15.659 1.00 0.00 O ATOM 0 H TYR A 47 9.819 2.864 -16.416 1.00 0.00 H new ATOM 0 HA TYR A 47 11.186 2.707 -18.989 1.00 0.00 H new ATOM 0 HB2 TYR A 47 9.133 3.780 -19.843 1.00 0.00 H new ATOM 0 HB3 TYR A 47 8.809 2.311 -18.945 1.00 0.00 H new ATOM 0 HD1 TYR A 47 8.448 6.026 -18.868 1.00 0.00 H new ATOM 0 HD2 TYR A 47 7.475 2.361 -16.905 1.00 0.00 H new ATOM 0 HE1 TYR A 47 6.800 7.198 -17.477 1.00 0.00 H new ATOM 0 HE2 TYR A 47 5.841 3.542 -15.519 1.00 0.00 H new ATOM 0 HH TYR A 47 4.851 5.440 -15.055 1.00 0.00 H new ATOM 748 N PRO A 48 11.729 5.269 -19.540 1.00 0.00 N ATOM 749 CA PRO A 48 12.399 6.597 -19.682 1.00 0.00 C ATOM 750 C PRO A 48 11.654 7.754 -18.947 1.00 0.00 C ATOM 751 O PRO A 48 10.566 8.165 -19.380 1.00 0.00 O ATOM 752 CB PRO A 48 12.436 6.827 -21.231 1.00 0.00 C ATOM 753 CG PRO A 48 11.593 5.725 -21.817 1.00 0.00 C ATOM 754 CD PRO A 48 11.700 4.578 -20.851 1.00 0.00 C ATOM 0 HA PRO A 48 13.386 6.597 -19.220 1.00 0.00 H new ATOM 0 HB2 PRO A 48 12.038 7.808 -21.493 1.00 0.00 H new ATOM 0 HB3 PRO A 48 13.457 6.785 -21.611 1.00 0.00 H new ATOM 0 HG2 PRO A 48 10.557 6.044 -21.934 1.00 0.00 H new ATOM 0 HG3 PRO A 48 11.952 5.440 -22.806 1.00 0.00 H new ATOM 0 HD2 PRO A 48 10.853 3.897 -20.933 1.00 0.00 H new ATOM 0 HD3 PRO A 48 12.601 3.988 -21.019 1.00 0.00 H new ATOM 762 N PRO A 49 12.223 8.270 -17.803 1.00 0.00 N ATOM 763 CA PRO A 49 11.662 9.419 -17.080 1.00 0.00 C ATOM 764 C PRO A 49 12.167 10.758 -17.664 1.00 0.00 C ATOM 765 O PRO A 49 13.094 10.788 -18.486 1.00 0.00 O ATOM 766 CB PRO A 49 12.157 9.173 -15.638 1.00 0.00 C ATOM 767 CG PRO A 49 13.492 8.495 -15.797 1.00 0.00 C ATOM 768 CD PRO A 49 13.460 7.762 -17.129 1.00 0.00 C ATOM 0 HA PRO A 49 10.577 9.498 -17.147 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.252 10.109 -15.088 1.00 0.00 H new ATOM 0 HB3 PRO A 49 11.459 8.546 -15.082 1.00 0.00 H new ATOM 0 HG2 PRO A 49 14.301 9.226 -15.778 1.00 0.00 H new ATOM 0 HG3 PRO A 49 13.672 7.799 -14.978 1.00 0.00 H new ATOM 0 HD2 PRO A 49 14.351 7.974 -17.721 1.00 0.00 H new ATOM 0 HD3 PRO A 49 13.421 6.682 -16.988 1.00 0.00 H new ATOM 776 N GLU A 50 11.549 11.864 -17.231 1.00 0.00 N ATOM 777 CA GLU A 50 11.823 13.219 -17.771 1.00 0.00 C ATOM 778 C GLU A 50 12.457 14.135 -16.701 1.00 0.00 C ATOM 779 O GLU A 50 12.366 15.366 -16.813 1.00 0.00 O ATOM 780 CB GLU A 50 10.489 13.817 -18.305 1.00 0.00 C ATOM 781 CG GLU A 50 9.844 12.990 -19.441 1.00 0.00 C ATOM 782 CD GLU A 50 8.475 13.524 -19.884 1.00 0.00 C ATOM 783 OE1 GLU A 50 8.421 14.405 -20.770 1.00 0.00 O ATOM 784 OE2 GLU A 50 7.445 13.077 -19.334 1.00 0.00 O ATOM 0 H GLU A 50 10.842 11.854 -16.495 1.00 0.00 H new ATOM 0 HA GLU A 50 12.544 13.146 -18.585 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.781 13.897 -17.480 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.674 14.829 -18.665 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.516 12.979 -20.299 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.733 11.957 -19.110 1.00 0.00 H new ATOM 791 N CYS A 51 13.135 13.520 -15.701 1.00 0.00 N ATOM 792 CA CYS A 51 13.739 14.231 -14.548 1.00 0.00 C ATOM 793 C CYS A 51 12.684 15.116 -13.859 1.00 0.00 C ATOM 794 O CYS A 51 12.767 16.352 -13.900 1.00 0.00 O ATOM 795 CB CYS A 51 14.983 15.056 -14.978 1.00 0.00 C ATOM 796 SG CYS A 51 16.295 14.084 -15.749 1.00 0.00 S ATOM 0 H CYS A 51 13.279 12.511 -15.672 1.00 0.00 H new ATOM 0 HA CYS A 51 14.085 13.488 -13.829 1.00 0.00 H new ATOM 0 HB2 CYS A 51 14.666 15.832 -15.675 1.00 0.00 H new ATOM 0 HB3 CYS A 51 15.389 15.561 -14.102 1.00 0.00 H new ATOM 0 HG CYS A 51 17.282 14.866 -16.071 1.00 0.00 H new ATOM 802 N LEU A 52 11.664 14.454 -13.280 1.00 0.00 N ATOM 803 CA LEU A 52 10.461 15.128 -12.778 1.00 0.00 C ATOM 804 C LEU A 52 10.778 16.107 -11.637 1.00 0.00 C ATOM 805 O LEU A 52 11.424 15.749 -10.644 1.00 0.00 O ATOM 806 CB LEU A 52 9.402 14.089 -12.345 1.00 0.00 C ATOM 807 CG LEU A 52 8.839 13.192 -13.495 1.00 0.00 C ATOM 808 CD1 LEU A 52 7.765 12.227 -12.964 1.00 0.00 C ATOM 809 CD2 LEU A 52 8.298 14.051 -14.676 1.00 0.00 C ATOM 0 H LEU A 52 11.655 13.442 -13.150 1.00 0.00 H new ATOM 0 HA LEU A 52 10.052 15.722 -13.595 1.00 0.00 H new ATOM 0 HB2 LEU A 52 9.840 13.443 -11.584 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.570 14.615 -11.876 1.00 0.00 H new ATOM 0 HG LEU A 52 9.663 12.593 -13.883 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.389 11.614 -13.783 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.200 11.583 -12.199 1.00 0.00 H new ATOM 0 HD13 LEU A 52 6.944 12.799 -12.532 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.915 13.395 -15.457 1.00 0.00 H new ATOM 0 HD22 LEU A 52 7.496 14.697 -14.319 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.104 14.663 -15.080 1.00 0.00 H new ATOM 821 N ASP A 53 10.329 17.351 -11.829 1.00 0.00 N ATOM 822 CA ASP A 53 10.499 18.440 -10.876 1.00 0.00 C ATOM 823 C ASP A 53 9.288 18.470 -9.938 1.00 0.00 C ATOM 824 O ASP A 53 8.259 19.083 -10.258 1.00 0.00 O ATOM 825 CB ASP A 53 10.645 19.791 -11.626 1.00 0.00 C ATOM 826 CG ASP A 53 11.889 19.845 -12.529 1.00 0.00 C ATOM 827 OD1 ASP A 53 12.989 20.172 -12.027 1.00 0.00 O ATOM 828 OD2 ASP A 53 11.773 19.557 -13.741 1.00 0.00 O ATOM 0 H ASP A 53 9.827 17.630 -12.672 1.00 0.00 H new ATOM 0 HA ASP A 53 11.405 18.281 -10.291 1.00 0.00 H new ATOM 0 HB2 ASP A 53 9.755 19.962 -12.232 1.00 0.00 H new ATOM 0 HB3 ASP A 53 10.696 20.601 -10.898 1.00 0.00 H new ATOM 833 N LEU A 54 9.397 17.743 -8.811 1.00 0.00 N ATOM 834 CA LEU A 54 8.370 17.740 -7.756 1.00 0.00 C ATOM 835 C LEU A 54 8.474 19.064 -6.981 1.00 0.00 C ATOM 836 O LEU A 54 9.215 19.171 -5.999 1.00 0.00 O ATOM 837 CB LEU A 54 8.501 16.509 -6.808 1.00 0.00 C ATOM 838 CG LEU A 54 8.226 15.097 -7.435 1.00 0.00 C ATOM 839 CD1 LEU A 54 9.374 14.632 -8.359 1.00 0.00 C ATOM 840 CD2 LEU A 54 7.930 14.054 -6.333 1.00 0.00 C ATOM 0 H LEU A 54 10.197 17.144 -8.608 1.00 0.00 H new ATOM 0 HA LEU A 54 7.385 17.655 -8.215 1.00 0.00 H new ATOM 0 HB2 LEU A 54 9.509 16.506 -6.394 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.814 16.649 -5.973 1.00 0.00 H new ATOM 0 HG LEU A 54 7.340 15.189 -8.063 1.00 0.00 H new ATOM 0 HD11 LEU A 54 9.137 13.650 -8.768 1.00 0.00 H new ATOM 0 HD12 LEU A 54 9.496 15.345 -9.174 1.00 0.00 H new ATOM 0 HD13 LEU A 54 10.300 14.572 -7.787 1.00 0.00 H new ATOM 0 HD21 LEU A 54 7.743 13.083 -6.792 1.00 0.00 H new ATOM 0 HD22 LEU A 54 8.787 13.979 -5.663 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.052 14.363 -5.766 1.00 0.00 H new ATOM 852 N SER A 55 7.789 20.085 -7.504 1.00 0.00 N ATOM 853 CA SER A 55 7.844 21.458 -6.991 1.00 0.00 C ATOM 854 C SER A 55 6.933 21.621 -5.764 1.00 0.00 C ATOM 855 O SER A 55 7.317 22.269 -4.781 1.00 0.00 O ATOM 856 CB SER A 55 7.447 22.432 -8.123 1.00 0.00 C ATOM 857 OG SER A 55 7.474 23.782 -7.696 1.00 0.00 O ATOM 0 H SER A 55 7.171 19.980 -8.308 1.00 0.00 H new ATOM 0 HA SER A 55 8.859 21.686 -6.666 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.127 22.305 -8.966 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.447 22.185 -8.480 1.00 0.00 H new ATOM 0 HG SER A 55 7.219 24.366 -8.441 1.00 0.00 H new ATOM 863 N ASP A 56 5.731 21.019 -5.826 1.00 0.00 N ATOM 864 CA ASP A 56 4.735 21.098 -4.740 1.00 0.00 C ATOM 865 C ASP A 56 5.068 20.084 -3.633 1.00 0.00 C ATOM 866 O ASP A 56 5.107 18.889 -3.877 1.00 0.00 O ATOM 867 CB ASP A 56 3.302 20.855 -5.298 1.00 0.00 C ATOM 868 CG ASP A 56 2.183 20.879 -4.229 1.00 0.00 C ATOM 869 OD1 ASP A 56 2.297 21.632 -3.233 1.00 0.00 O ATOM 870 OD2 ASP A 56 1.179 20.153 -4.381 1.00 0.00 O ATOM 0 H ASP A 56 5.423 20.466 -6.626 1.00 0.00 H new ATOM 0 HA ASP A 56 4.768 22.099 -4.309 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.085 21.614 -6.049 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.282 19.890 -5.805 1.00 0.00 H new ATOM 875 N ARG A 57 5.333 20.596 -2.425 1.00 0.00 N ATOM 876 CA ARG A 57 5.556 19.778 -1.205 1.00 0.00 C ATOM 877 C ARG A 57 4.367 18.831 -0.889 1.00 0.00 C ATOM 878 O ARG A 57 4.555 17.750 -0.320 1.00 0.00 O ATOM 879 CB ARG A 57 5.871 20.685 0.028 1.00 0.00 C ATOM 880 CG ARG A 57 4.729 21.636 0.517 1.00 0.00 C ATOM 881 CD ARG A 57 4.407 22.789 -0.460 1.00 0.00 C ATOM 882 NE ARG A 57 3.369 23.703 0.055 1.00 0.00 N ATOM 883 CZ ARG A 57 2.496 24.397 -0.702 1.00 0.00 C ATOM 884 NH1 ARG A 57 2.404 24.194 -2.007 1.00 0.00 N ATOM 885 NH2 ARG A 57 1.688 25.280 -0.137 1.00 0.00 N ATOM 0 H ARG A 57 5.401 21.599 -2.255 1.00 0.00 H new ATOM 0 HA ARG A 57 6.421 19.147 -1.412 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.155 20.040 0.860 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.741 21.296 -0.213 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.826 21.048 0.679 1.00 0.00 H new ATOM 0 HG3 ARG A 57 5.011 22.059 1.481 1.00 0.00 H new ATOM 0 HD2 ARG A 57 5.317 23.355 -0.659 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.077 22.371 -1.411 1.00 0.00 H new ATOM 0 HE ARG A 57 3.307 23.819 1.066 1.00 0.00 H new ATOM 0 HH11 ARG A 57 3.001 23.501 -2.459 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.736 24.731 -2.561 1.00 0.00 H new ATOM 0 HH21 ARG A 57 1.726 25.435 0.870 1.00 0.00 H new ATOM 0 HH22 ARG A 57 1.027 25.806 -0.709 1.00 0.00 H new ATOM 899 N ASP A 58 3.155 19.243 -1.287 1.00 0.00 N ATOM 900 CA ASP A 58 1.899 18.529 -0.970 1.00 0.00 C ATOM 901 C ASP A 58 1.491 17.536 -2.097 1.00 0.00 C ATOM 902 O ASP A 58 0.499 16.817 -1.956 1.00 0.00 O ATOM 903 CB ASP A 58 0.782 19.587 -0.720 1.00 0.00 C ATOM 904 CG ASP A 58 -0.519 19.016 -0.113 1.00 0.00 C ATOM 905 OD1 ASP A 58 -0.598 18.889 1.130 1.00 0.00 O ATOM 906 OD2 ASP A 58 -1.462 18.690 -0.867 1.00 0.00 O ATOM 0 H ASP A 58 3.012 20.087 -1.842 1.00 0.00 H new ATOM 0 HA ASP A 58 2.048 17.926 -0.074 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.171 20.357 -0.054 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.543 20.075 -1.665 1.00 0.00 H new ATOM 911 N ILE A 59 2.265 17.480 -3.205 1.00 0.00 N ATOM 912 CA ILE A 59 1.888 16.671 -4.391 1.00 0.00 C ATOM 913 C ILE A 59 1.989 15.158 -4.090 1.00 0.00 C ATOM 914 O ILE A 59 3.015 14.675 -3.597 1.00 0.00 O ATOM 915 CB ILE A 59 2.725 17.084 -5.670 1.00 0.00 C ATOM 916 CG1 ILE A 59 2.017 16.625 -6.979 1.00 0.00 C ATOM 917 CG2 ILE A 59 4.194 16.568 -5.639 1.00 0.00 C ATOM 918 CD1 ILE A 59 2.611 17.227 -8.244 1.00 0.00 C ATOM 0 H ILE A 59 3.148 17.981 -3.304 1.00 0.00 H new ATOM 0 HA ILE A 59 0.844 16.884 -4.620 1.00 0.00 H new ATOM 0 HB ILE A 59 2.774 18.173 -5.654 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.068 15.538 -7.047 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.962 16.891 -6.922 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.711 16.886 -6.545 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.705 16.977 -4.767 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.196 15.479 -5.584 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.065 16.860 -9.113 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.535 18.313 -8.200 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.659 16.939 -8.326 1.00 0.00 H new ATOM 930 N THR A 60 0.898 14.422 -4.355 1.00 0.00 N ATOM 931 CA THR A 60 0.771 13.012 -3.956 1.00 0.00 C ATOM 932 C THR A 60 1.265 12.050 -5.042 1.00 0.00 C ATOM 933 O THR A 60 1.529 12.449 -6.187 1.00 0.00 O ATOM 934 CB THR A 60 -0.709 12.659 -3.593 1.00 0.00 C ATOM 935 OG1 THR A 60 -1.568 12.802 -4.744 1.00 0.00 O ATOM 936 CG2 THR A 60 -1.228 13.531 -2.439 1.00 0.00 C ATOM 0 H THR A 60 0.083 14.786 -4.849 1.00 0.00 H new ATOM 0 HA THR A 60 1.403 12.888 -3.077 1.00 0.00 H new ATOM 0 HB THR A 60 -0.724 11.619 -3.268 1.00 0.00 H new ATOM 0 HG1 THR A 60 -2.158 13.574 -4.618 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.259 13.259 -2.213 1.00 0.00 H new ATOM 0 HG22 THR A 60 -0.609 13.372 -1.556 1.00 0.00 H new ATOM 0 HG23 THR A 60 -1.185 14.581 -2.728 1.00 0.00 H new ATOM 944 N LEU A 61 1.328 10.756 -4.664 1.00 0.00 N ATOM 945 CA LEU A 61 1.694 9.652 -5.574 1.00 0.00 C ATOM 946 C LEU A 61 0.636 9.472 -6.686 1.00 0.00 C ATOM 947 O LEU A 61 0.904 8.824 -7.692 1.00 0.00 O ATOM 948 CB LEU A 61 1.862 8.324 -4.782 1.00 0.00 C ATOM 949 CG LEU A 61 2.757 8.380 -3.504 1.00 0.00 C ATOM 950 CD1 LEU A 61 2.943 6.977 -2.885 1.00 0.00 C ATOM 951 CD2 LEU A 61 4.113 9.069 -3.777 1.00 0.00 C ATOM 0 H LEU A 61 1.125 10.447 -3.713 1.00 0.00 H new ATOM 0 HA LEU A 61 2.644 9.909 -6.042 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.872 7.974 -4.489 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.278 7.575 -5.456 1.00 0.00 H new ATOM 0 HG LEU A 61 2.234 8.994 -2.771 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.571 7.051 -1.997 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.971 6.569 -2.609 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.419 6.319 -3.612 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.703 9.086 -2.861 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.653 8.517 -4.547 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.940 10.090 -4.116 1.00 0.00 H new ATOM 963 N GLY A 62 -0.579 10.040 -6.461 1.00 0.00 N ATOM 964 CA GLY A 62 -1.652 10.064 -7.468 1.00 0.00 C ATOM 965 C GLY A 62 -1.255 10.798 -8.754 1.00 0.00 C ATOM 966 O GLY A 62 -1.769 10.491 -9.837 1.00 0.00 O ATOM 0 H GLY A 62 -0.832 10.488 -5.580 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.934 9.040 -7.714 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.533 10.543 -7.040 1.00 0.00 H new ATOM 970 N ASP A 63 -0.344 11.775 -8.629 1.00 0.00 N ATOM 971 CA ASP A 63 0.200 12.521 -9.778 1.00 0.00 C ATOM 972 C ASP A 63 1.424 11.793 -10.359 1.00 0.00 C ATOM 973 O ASP A 63 1.494 11.539 -11.564 1.00 0.00 O ATOM 974 CB ASP A 63 0.599 13.948 -9.337 1.00 0.00 C ATOM 975 CG ASP A 63 1.196 14.797 -10.482 1.00 0.00 C ATOM 976 OD1 ASP A 63 0.425 15.456 -11.205 1.00 0.00 O ATOM 977 OD2 ASP A 63 2.438 14.790 -10.681 1.00 0.00 O ATOM 0 H ASP A 63 0.037 12.071 -7.730 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.568 12.584 -10.549 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.279 14.456 -8.937 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.325 13.881 -8.527 1.00 0.00 H new ATOM 982 N LEU A 64 2.381 11.482 -9.470 1.00 0.00 N ATOM 983 CA LEU A 64 3.709 10.947 -9.839 1.00 0.00 C ATOM 984 C LEU A 64 3.639 9.438 -10.215 1.00 0.00 C ATOM 985 O LEU A 64 2.737 8.743 -9.762 1.00 0.00 O ATOM 986 CB LEU A 64 4.725 11.187 -8.680 1.00 0.00 C ATOM 987 CG LEU A 64 5.225 12.647 -8.447 1.00 0.00 C ATOM 988 CD1 LEU A 64 5.793 13.267 -9.744 1.00 0.00 C ATOM 989 CD2 LEU A 64 4.146 13.538 -7.803 1.00 0.00 C ATOM 0 H LEU A 64 2.257 11.595 -8.464 1.00 0.00 H new ATOM 0 HA LEU A 64 4.053 11.482 -10.724 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.268 10.837 -7.755 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.597 10.559 -8.862 1.00 0.00 H new ATOM 0 HG LEU A 64 6.045 12.592 -7.731 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.131 14.284 -9.543 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.633 12.668 -10.096 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.016 13.287 -10.508 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.542 14.544 -7.661 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.273 13.580 -8.454 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.859 13.122 -6.837 1.00 0.00 H new ATOM 1001 N PRO A 65 4.611 8.905 -11.049 1.00 0.00 N ATOM 1002 CA PRO A 65 4.618 7.490 -11.519 1.00 0.00 C ATOM 1003 C PRO A 65 5.183 6.483 -10.487 1.00 0.00 C ATOM 1004 O PRO A 65 5.830 5.496 -10.862 1.00 0.00 O ATOM 1005 CB PRO A 65 5.493 7.544 -12.818 1.00 0.00 C ATOM 1006 CG PRO A 65 5.888 8.986 -12.995 1.00 0.00 C ATOM 1007 CD PRO A 65 5.760 9.620 -11.633 1.00 0.00 C ATOM 0 HA PRO A 65 3.606 7.123 -11.687 1.00 0.00 H new ATOM 0 HB2 PRO A 65 6.373 6.908 -12.722 1.00 0.00 H new ATOM 0 HB3 PRO A 65 4.932 7.185 -13.681 1.00 0.00 H new ATOM 0 HG2 PRO A 65 6.908 9.068 -13.370 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.242 9.482 -13.719 1.00 0.00 H new ATOM 0 HD2 PRO A 65 6.664 9.488 -11.038 1.00 0.00 H new ATOM 0 HD3 PRO A 65 5.577 10.692 -11.701 1.00 0.00 H new ATOM 1015 N ILE A 66 4.899 6.717 -9.193 1.00 0.00 N ATOM 1016 CA ILE A 66 5.132 5.725 -8.133 1.00 0.00 C ATOM 1017 C ILE A 66 4.089 4.616 -8.336 1.00 0.00 C ATOM 1018 O ILE A 66 2.892 4.876 -8.258 1.00 0.00 O ATOM 1019 CB ILE A 66 5.000 6.331 -6.667 1.00 0.00 C ATOM 1020 CG1 ILE A 66 6.171 7.296 -6.290 1.00 0.00 C ATOM 1021 CG2 ILE A 66 4.903 5.220 -5.593 1.00 0.00 C ATOM 1022 CD1 ILE A 66 6.254 8.579 -7.073 1.00 0.00 C ATOM 0 H ILE A 66 4.504 7.595 -8.856 1.00 0.00 H new ATOM 0 HA ILE A 66 6.154 5.355 -8.208 1.00 0.00 H new ATOM 0 HB ILE A 66 4.076 6.909 -6.684 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.082 7.545 -5.233 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.111 6.758 -6.413 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.814 5.675 -4.606 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.027 4.601 -5.788 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.799 4.601 -5.628 1.00 0.00 H new ATOM 0 HD11 ILE A 66 7.104 9.165 -6.723 1.00 0.00 H new ATOM 0 HD12 ILE A 66 6.381 8.352 -8.131 1.00 0.00 H new ATOM 0 HD13 ILE A 66 5.337 9.151 -6.933 1.00 0.00 H new ATOM 1034 N GLN A 67 4.535 3.405 -8.671 1.00 0.00 N ATOM 1035 CA GLN A 67 3.631 2.261 -8.883 1.00 0.00 C ATOM 1036 C GLN A 67 3.960 1.166 -7.860 1.00 0.00 C ATOM 1037 O GLN A 67 5.119 1.025 -7.453 1.00 0.00 O ATOM 1038 CB GLN A 67 3.758 1.736 -10.341 1.00 0.00 C ATOM 1039 CG GLN A 67 3.672 2.822 -11.435 1.00 0.00 C ATOM 1040 CD GLN A 67 3.747 2.256 -12.859 1.00 0.00 C ATOM 1041 OE1 GLN A 67 4.821 2.158 -13.458 1.00 0.00 O ATOM 1042 NE2 GLN A 67 2.607 1.841 -13.396 1.00 0.00 N ATOM 0 H GLN A 67 5.522 3.185 -8.803 1.00 0.00 H new ATOM 0 HA GLN A 67 2.597 2.574 -8.739 1.00 0.00 H new ATOM 0 HB2 GLN A 67 4.710 1.214 -10.442 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.972 1.002 -10.517 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.738 3.372 -11.319 1.00 0.00 H new ATOM 0 HG3 GLN A 67 4.483 3.537 -11.292 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.734 1.935 -12.876 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.603 1.428 -14.329 1.00 0.00 H new ATOM 1051 N SER A 68 2.938 0.399 -7.451 1.00 0.00 N ATOM 1052 CA SER A 68 3.076 -0.662 -6.442 1.00 0.00 C ATOM 1053 C SER A 68 3.990 -1.798 -6.965 1.00 0.00 C ATOM 1054 O SER A 68 3.588 -2.576 -7.837 1.00 0.00 O ATOM 1055 CB SER A 68 1.670 -1.186 -6.056 1.00 0.00 C ATOM 1056 OG SER A 68 0.908 -1.522 -7.204 1.00 0.00 O ATOM 0 H SER A 68 1.989 0.498 -7.812 1.00 0.00 H new ATOM 0 HA SER A 68 3.551 -0.258 -5.548 1.00 0.00 H new ATOM 0 HB2 SER A 68 1.770 -2.062 -5.415 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.143 -0.427 -5.478 1.00 0.00 H new ATOM 0 HG SER A 68 1.486 -1.961 -7.863 1.00 0.00 H new ATOM 1062 N GLY A 69 5.243 -1.829 -6.462 1.00 0.00 N ATOM 1063 CA GLY A 69 6.240 -2.843 -6.843 1.00 0.00 C ATOM 1064 C GLY A 69 7.205 -2.389 -7.930 1.00 0.00 C ATOM 1065 O GLY A 69 7.977 -3.207 -8.453 1.00 0.00 O ATOM 0 H GLY A 69 5.588 -1.151 -5.782 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.812 -3.125 -5.959 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.720 -3.738 -7.185 1.00 0.00 H new ATOM 1069 N ASP A 70 7.196 -1.081 -8.234 1.00 0.00 N ATOM 1070 CA ASP A 70 7.969 -0.504 -9.351 1.00 0.00 C ATOM 1071 C ASP A 70 9.383 -0.078 -8.914 1.00 0.00 C ATOM 1072 O ASP A 70 9.647 0.130 -7.728 1.00 0.00 O ATOM 1073 CB ASP A 70 7.200 0.697 -9.962 1.00 0.00 C ATOM 1074 CG ASP A 70 7.799 1.249 -11.274 1.00 0.00 C ATOM 1075 OD1 ASP A 70 8.309 0.435 -12.085 1.00 0.00 O ATOM 1076 OD2 ASP A 70 7.763 2.476 -11.505 1.00 0.00 O ATOM 0 H ASP A 70 6.653 -0.392 -7.714 1.00 0.00 H new ATOM 0 HA ASP A 70 8.088 -1.278 -10.110 1.00 0.00 H new ATOM 0 HB2 ASP A 70 6.170 0.394 -10.149 1.00 0.00 H new ATOM 0 HB3 ASP A 70 7.167 1.501 -9.227 1.00 0.00 H new ATOM 1081 N MET A 71 10.264 0.068 -9.915 1.00 0.00 N ATOM 1082 CA MET A 71 11.671 0.403 -9.741 1.00 0.00 C ATOM 1083 C MET A 71 11.866 1.910 -9.914 1.00 0.00 C ATOM 1084 O MET A 71 11.741 2.434 -11.029 1.00 0.00 O ATOM 1085 CB MET A 71 12.538 -0.360 -10.782 1.00 0.00 C ATOM 1086 CG MET A 71 14.068 -0.248 -10.597 1.00 0.00 C ATOM 1087 SD MET A 71 14.703 -1.210 -9.197 1.00 0.00 S ATOM 1088 CE MET A 71 14.461 -0.120 -7.798 1.00 0.00 C ATOM 0 H MET A 71 10.002 -0.049 -10.894 1.00 0.00 H new ATOM 0 HA MET A 71 11.983 0.109 -8.739 1.00 0.00 H new ATOM 0 HB2 MET A 71 12.264 -1.415 -10.751 1.00 0.00 H new ATOM 0 HB3 MET A 71 12.284 0.007 -11.777 1.00 0.00 H new ATOM 0 HG2 MET A 71 14.561 -0.582 -11.510 1.00 0.00 H new ATOM 0 HG3 MET A 71 14.333 0.800 -10.457 1.00 0.00 H new ATOM 0 HE1 MET A 71 15.376 -0.077 -7.208 1.00 0.00 H new ATOM 0 HE2 MET A 71 14.212 0.879 -8.154 1.00 0.00 H new ATOM 0 HE3 MET A 71 13.647 -0.498 -7.179 1.00 0.00 H new ATOM 1098 N LEU A 72 12.137 2.600 -8.800 1.00 0.00 N ATOM 1099 CA LEU A 72 12.397 4.050 -8.794 1.00 0.00 C ATOM 1100 C LEU A 72 13.874 4.324 -8.487 1.00 0.00 C ATOM 1101 O LEU A 72 14.389 3.869 -7.474 1.00 0.00 O ATOM 1102 CB LEU A 72 11.469 4.790 -7.782 1.00 0.00 C ATOM 1103 CG LEU A 72 10.029 5.150 -8.290 1.00 0.00 C ATOM 1104 CD1 LEU A 72 9.196 3.911 -8.694 1.00 0.00 C ATOM 1105 CD2 LEU A 72 9.286 5.987 -7.238 1.00 0.00 C ATOM 0 H LEU A 72 12.183 2.172 -7.875 1.00 0.00 H new ATOM 0 HA LEU A 72 12.172 4.439 -9.787 1.00 0.00 H new ATOM 0 HB2 LEU A 72 11.372 4.170 -6.891 1.00 0.00 H new ATOM 0 HB3 LEU A 72 11.964 5.712 -7.476 1.00 0.00 H new ATOM 0 HG LEU A 72 10.156 5.740 -9.198 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.211 4.230 -9.036 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.704 3.377 -9.498 1.00 0.00 H new ATOM 0 HD13 LEU A 72 9.085 3.251 -7.834 1.00 0.00 H new ATOM 0 HD21 LEU A 72 8.288 6.229 -7.604 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.204 5.418 -6.312 1.00 0.00 H new ATOM 0 HD23 LEU A 72 9.837 6.908 -7.050 1.00 0.00 H new ATOM 1117 N ILE A 73 14.539 5.095 -9.363 1.00 0.00 N ATOM 1118 CA ILE A 73 15.961 5.420 -9.236 1.00 0.00 C ATOM 1119 C ILE A 73 16.104 6.653 -8.324 1.00 0.00 C ATOM 1120 O ILE A 73 15.790 7.788 -8.720 1.00 0.00 O ATOM 1121 CB ILE A 73 16.655 5.682 -10.641 1.00 0.00 C ATOM 1122 CG1 ILE A 73 16.629 4.402 -11.570 1.00 0.00 C ATOM 1123 CG2 ILE A 73 18.117 6.195 -10.462 1.00 0.00 C ATOM 1124 CD1 ILE A 73 15.264 4.022 -12.147 1.00 0.00 C ATOM 0 H ILE A 73 14.098 5.511 -10.183 1.00 0.00 H new ATOM 0 HA ILE A 73 16.471 4.562 -8.798 1.00 0.00 H new ATOM 0 HB ILE A 73 16.072 6.459 -11.137 1.00 0.00 H new ATOM 0 HG12 ILE A 73 17.319 4.564 -12.398 1.00 0.00 H new ATOM 0 HG13 ILE A 73 17.009 3.555 -10.999 1.00 0.00 H new ATOM 0 HG21 ILE A 73 18.565 6.365 -11.441 1.00 0.00 H new ATOM 0 HG22 ILE A 73 18.109 7.129 -9.899 1.00 0.00 H new ATOM 0 HG23 ILE A 73 18.700 5.450 -9.920 1.00 0.00 H new ATOM 0 HD11 ILE A 73 15.366 3.131 -12.767 1.00 0.00 H new ATOM 0 HD12 ILE A 73 14.568 3.820 -11.333 1.00 0.00 H new ATOM 0 HD13 ILE A 73 14.884 4.844 -12.753 1.00 0.00 H new ATOM 1136 N VAL A 74 16.510 6.387 -7.080 1.00 0.00 N ATOM 1137 CA VAL A 74 16.831 7.414 -6.086 1.00 0.00 C ATOM 1138 C VAL A 74 18.336 7.716 -6.161 1.00 0.00 C ATOM 1139 O VAL A 74 19.159 6.860 -5.827 1.00 0.00 O ATOM 1140 CB VAL A 74 16.419 6.924 -4.646 1.00 0.00 C ATOM 1141 CG1 VAL A 74 16.935 7.867 -3.546 1.00 0.00 C ATOM 1142 CG2 VAL A 74 14.881 6.742 -4.545 1.00 0.00 C ATOM 0 H VAL A 74 16.627 5.436 -6.730 1.00 0.00 H new ATOM 0 HA VAL A 74 16.273 8.327 -6.295 1.00 0.00 H new ATOM 0 HB VAL A 74 16.892 5.955 -4.486 1.00 0.00 H new ATOM 0 HG11 VAL A 74 16.628 7.490 -2.570 1.00 0.00 H new ATOM 0 HG12 VAL A 74 18.023 7.916 -3.590 1.00 0.00 H new ATOM 0 HG13 VAL A 74 16.520 8.864 -3.697 1.00 0.00 H new ATOM 0 HG21 VAL A 74 14.620 6.403 -3.542 1.00 0.00 H new ATOM 0 HG22 VAL A 74 14.388 7.693 -4.747 1.00 0.00 H new ATOM 0 HG23 VAL A 74 14.554 6.002 -5.275 1.00 0.00 H new ATOM 1152 N GLU A 75 18.684 8.926 -6.623 1.00 0.00 N ATOM 1153 CA GLU A 75 20.086 9.336 -6.822 1.00 0.00 C ATOM 1154 C GLU A 75 20.525 10.326 -5.726 1.00 0.00 C ATOM 1155 O GLU A 75 19.698 11.022 -5.139 1.00 0.00 O ATOM 1156 CB GLU A 75 20.281 9.943 -8.235 1.00 0.00 C ATOM 1157 CG GLU A 75 19.564 11.283 -8.492 1.00 0.00 C ATOM 1158 CD GLU A 75 19.935 11.876 -9.858 1.00 0.00 C ATOM 1159 OE1 GLU A 75 21.014 12.493 -9.976 1.00 0.00 O ATOM 1160 OE2 GLU A 75 19.174 11.699 -10.829 1.00 0.00 O ATOM 0 H GLU A 75 18.006 9.647 -6.869 1.00 0.00 H new ATOM 0 HA GLU A 75 20.718 8.451 -6.746 1.00 0.00 H new ATOM 0 HB2 GLU A 75 21.348 10.085 -8.405 1.00 0.00 H new ATOM 0 HB3 GLU A 75 19.934 9.219 -8.972 1.00 0.00 H new ATOM 0 HG2 GLU A 75 18.485 11.133 -8.442 1.00 0.00 H new ATOM 0 HG3 GLU A 75 19.825 11.991 -7.706 1.00 0.00 H new ATOM 1167 N GLU A 76 21.839 10.381 -5.475 1.00 0.00 N ATOM 1168 CA GLU A 76 22.444 11.225 -4.426 1.00 0.00 C ATOM 1169 C GLU A 76 23.688 11.921 -4.986 1.00 0.00 C ATOM 1170 O GLU A 76 24.556 11.270 -5.574 1.00 0.00 O ATOM 1171 CB GLU A 76 22.800 10.345 -3.193 1.00 0.00 C ATOM 1172 CG GLU A 76 23.585 11.028 -2.047 1.00 0.00 C ATOM 1173 CD GLU A 76 22.844 12.199 -1.363 1.00 0.00 C ATOM 1174 OE1 GLU A 76 22.020 11.940 -0.469 1.00 0.00 O ATOM 1175 OE2 GLU A 76 23.110 13.377 -1.693 1.00 0.00 O ATOM 0 H GLU A 76 22.524 9.836 -5.999 1.00 0.00 H new ATOM 0 HA GLU A 76 21.736 11.991 -4.108 1.00 0.00 H new ATOM 0 HB2 GLU A 76 21.872 9.949 -2.780 1.00 0.00 H new ATOM 0 HB3 GLU A 76 23.383 9.492 -3.542 1.00 0.00 H new ATOM 0 HG2 GLU A 76 23.825 10.279 -1.293 1.00 0.00 H new ATOM 0 HG3 GLU A 76 24.531 11.397 -2.443 1.00 0.00 H new ATOM 1182 N ASP A 77 23.768 13.243 -4.775 1.00 0.00 N ATOM 1183 CA ASP A 77 24.895 14.073 -5.244 1.00 0.00 C ATOM 1184 C ASP A 77 26.013 14.129 -4.175 1.00 0.00 C ATOM 1185 O ASP A 77 27.092 14.658 -4.435 1.00 0.00 O ATOM 1186 CB ASP A 77 24.374 15.500 -5.580 1.00 0.00 C ATOM 1187 CG ASP A 77 25.418 16.381 -6.304 1.00 0.00 C ATOM 1188 OD1 ASP A 77 25.754 16.066 -7.469 1.00 0.00 O ATOM 1189 OD2 ASP A 77 25.917 17.372 -5.721 1.00 0.00 O ATOM 0 H ASP A 77 23.053 13.771 -4.274 1.00 0.00 H new ATOM 0 HA ASP A 77 25.322 13.629 -6.143 1.00 0.00 H new ATOM 0 HB2 ASP A 77 23.485 15.416 -6.205 1.00 0.00 H new ATOM 0 HB3 ASP A 77 24.070 15.994 -4.657 1.00 0.00 H new ATOM 1194 N GLN A 78 25.731 13.531 -2.990 1.00 0.00 N ATOM 1195 CA GLN A 78 26.580 13.574 -1.770 1.00 0.00 C ATOM 1196 C GLN A 78 26.548 14.984 -1.150 1.00 0.00 C ATOM 1197 O GLN A 78 27.471 15.394 -0.438 1.00 0.00 O ATOM 1198 CB GLN A 78 28.027 13.055 -2.050 1.00 0.00 C ATOM 1199 CG GLN A 78 28.072 11.602 -2.561 1.00 0.00 C ATOM 1200 CD GLN A 78 29.466 11.173 -3.022 1.00 0.00 C ATOM 1201 OE1 GLN A 78 29.814 11.317 -4.195 1.00 0.00 O ATOM 1202 NE2 GLN A 78 30.280 10.668 -2.107 1.00 0.00 N ATOM 0 H GLN A 78 24.879 12.988 -2.852 1.00 0.00 H new ATOM 0 HA GLN A 78 26.166 12.888 -1.031 1.00 0.00 H new ATOM 0 HB2 GLN A 78 28.501 13.705 -2.785 1.00 0.00 H new ATOM 0 HB3 GLN A 78 28.614 13.128 -1.134 1.00 0.00 H new ATOM 0 HG2 GLN A 78 27.736 10.933 -1.768 1.00 0.00 H new ATOM 0 HG3 GLN A 78 27.372 11.492 -3.389 1.00 0.00 H new ATOM 0 HE21 GLN A 78 29.961 10.562 -1.144 1.00 0.00 H new ATOM 0 HE22 GLN A 78 31.225 10.386 -2.366 1.00 0.00 H new ATOM 1211 N THR A 79 25.433 15.700 -1.414 1.00 0.00 N ATOM 1212 CA THR A 79 25.171 17.046 -0.881 1.00 0.00 C ATOM 1213 C THR A 79 24.740 16.960 0.589 1.00 0.00 C ATOM 1214 O THR A 79 25.141 17.803 1.407 1.00 0.00 O ATOM 1215 CB THR A 79 24.059 17.767 -1.723 1.00 0.00 C ATOM 1216 OG1 THR A 79 24.441 17.759 -3.105 1.00 0.00 O ATOM 1217 CG2 THR A 79 23.823 19.232 -1.276 1.00 0.00 C ATOM 0 H THR A 79 24.683 15.351 -2.011 1.00 0.00 H new ATOM 0 HA THR A 79 26.091 17.627 -0.949 1.00 0.00 H new ATOM 0 HB THR A 79 23.128 17.223 -1.565 1.00 0.00 H new ATOM 0 HG1 THR A 79 23.751 18.206 -3.638 1.00 0.00 H new ATOM 0 HG21 THR A 79 23.044 19.680 -1.893 1.00 0.00 H new ATOM 0 HG22 THR A 79 23.512 19.248 -0.231 1.00 0.00 H new ATOM 0 HG23 THR A 79 24.746 19.800 -1.389 1.00 0.00 H new ATOM 1225 N ARG A 80 23.927 15.914 0.897 1.00 0.00 N ATOM 1226 CA ARG A 80 23.341 15.666 2.240 1.00 0.00 C ATOM 1227 C ARG A 80 22.306 16.775 2.621 1.00 0.00 C ATOM 1228 O ARG A 80 22.213 17.809 1.931 1.00 0.00 O ATOM 1229 CB ARG A 80 24.457 15.533 3.337 1.00 0.00 C ATOM 1230 CG ARG A 80 25.441 14.357 3.134 1.00 0.00 C ATOM 1231 CD ARG A 80 26.534 14.307 4.220 1.00 0.00 C ATOM 1232 NE ARG A 80 25.972 14.159 5.583 1.00 0.00 N ATOM 1233 CZ ARG A 80 26.638 14.401 6.730 1.00 0.00 C ATOM 1234 NH1 ARG A 80 27.886 14.843 6.714 1.00 0.00 N ATOM 1235 NH2 ARG A 80 26.045 14.202 7.893 1.00 0.00 N ATOM 0 H ARG A 80 23.657 15.211 0.209 1.00 0.00 H new ATOM 0 HA ARG A 80 22.809 14.716 2.194 1.00 0.00 H new ATOM 0 HB2 ARG A 80 25.027 16.462 3.368 1.00 0.00 H new ATOM 0 HB3 ARG A 80 23.977 15.421 4.309 1.00 0.00 H new ATOM 0 HG2 ARG A 80 24.886 13.419 3.138 1.00 0.00 H new ATOM 0 HG3 ARG A 80 25.911 14.446 2.154 1.00 0.00 H new ATOM 0 HD2 ARG A 80 27.207 13.474 4.016 1.00 0.00 H new ATOM 0 HD3 ARG A 80 27.130 15.218 4.173 1.00 0.00 H new ATOM 0 HE ARG A 80 25.003 13.849 5.660 1.00 0.00 H new ATOM 0 HH11 ARG A 80 28.358 15.006 5.825 1.00 0.00 H new ATOM 0 HH12 ARG A 80 28.375 15.021 7.591 1.00 0.00 H new ATOM 0 HH21 ARG A 80 25.083 13.865 7.924 1.00 0.00 H new ATOM 0 HH22 ARG A 80 26.549 14.385 8.761 1.00 0.00 H new ATOM 1249 N PRO A 81 21.451 16.555 3.676 1.00 0.00 N ATOM 1250 CA PRO A 81 20.691 17.660 4.303 1.00 0.00 C ATOM 1251 C PRO A 81 21.662 18.704 4.906 1.00 0.00 C ATOM 1252 O PRO A 81 22.519 18.356 5.734 1.00 0.00 O ATOM 1253 CB PRO A 81 19.835 16.958 5.395 1.00 0.00 C ATOM 1254 CG PRO A 81 20.498 15.631 5.618 1.00 0.00 C ATOM 1255 CD PRO A 81 21.104 15.244 4.289 1.00 0.00 C ATOM 0 HA PRO A 81 20.069 18.212 3.598 1.00 0.00 H new ATOM 0 HB2 PRO A 81 19.809 17.545 6.313 1.00 0.00 H new ATOM 0 HB3 PRO A 81 18.803 16.833 5.067 1.00 0.00 H new ATOM 0 HG2 PRO A 81 21.263 15.701 6.391 1.00 0.00 H new ATOM 0 HG3 PRO A 81 19.777 14.885 5.951 1.00 0.00 H new ATOM 0 HD2 PRO A 81 21.984 14.614 4.417 1.00 0.00 H new ATOM 0 HD3 PRO A 81 20.399 14.686 3.673 1.00 0.00 H new ATOM 1263 N LYS A 82 21.550 19.960 4.430 1.00 0.00 N ATOM 1264 CA LYS A 82 22.416 21.079 4.853 1.00 0.00 C ATOM 1265 C LYS A 82 22.111 21.500 6.308 1.00 0.00 C ATOM 1266 O LYS A 82 21.402 22.488 6.547 1.00 0.00 O ATOM 1267 CB LYS A 82 22.253 22.291 3.884 1.00 0.00 C ATOM 1268 CG LYS A 82 22.723 22.044 2.429 1.00 0.00 C ATOM 1269 CD LYS A 82 22.486 23.278 1.517 1.00 0.00 C ATOM 1270 CE LYS A 82 23.202 24.546 2.026 1.00 0.00 C ATOM 1271 NZ LYS A 82 22.946 25.725 1.161 1.00 0.00 N ATOM 0 H LYS A 82 20.852 20.228 3.737 1.00 0.00 H new ATOM 0 HA LYS A 82 23.451 20.739 4.813 1.00 0.00 H new ATOM 0 HB2 LYS A 82 21.202 22.581 3.865 1.00 0.00 H new ATOM 0 HB3 LYS A 82 22.809 23.136 4.289 1.00 0.00 H new ATOM 0 HG2 LYS A 82 23.784 21.794 2.430 1.00 0.00 H new ATOM 0 HG3 LYS A 82 22.193 21.184 2.019 1.00 0.00 H new ATOM 0 HD2 LYS A 82 22.833 23.051 0.509 1.00 0.00 H new ATOM 0 HD3 LYS A 82 21.416 23.473 1.449 1.00 0.00 H new ATOM 0 HE2 LYS A 82 22.871 24.765 3.041 1.00 0.00 H new ATOM 0 HE3 LYS A 82 24.275 24.360 2.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 23.448 26.552 1.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 23.286 25.529 0.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 21.925 25.921 1.135 1.00 0.00 H new ATOM 1285 N ALA A 83 22.655 20.728 7.265 1.00 0.00 N ATOM 1286 CA ALA A 83 22.441 20.924 8.709 1.00 0.00 C ATOM 1287 C ALA A 83 23.363 19.995 9.518 1.00 0.00 C ATOM 1288 O ALA A 83 24.002 19.091 8.960 1.00 0.00 O ATOM 1289 CB ALA A 83 20.963 20.664 9.085 1.00 0.00 C ATOM 0 H ALA A 83 23.265 19.938 7.053 1.00 0.00 H new ATOM 0 HA ALA A 83 22.682 21.959 8.951 1.00 0.00 H new ATOM 0 HB1 ALA A 83 20.828 20.815 10.156 1.00 0.00 H new ATOM 0 HB2 ALA A 83 20.321 21.355 8.538 1.00 0.00 H new ATOM 0 HB3 ALA A 83 20.697 19.639 8.826 1.00 0.00 H new ATOM 1295 N SER A 84 23.418 20.239 10.837 1.00 0.00 N ATOM 1296 CA SER A 84 24.111 19.373 11.807 1.00 0.00 C ATOM 1297 C SER A 84 23.160 19.084 13.002 1.00 0.00 C ATOM 1298 O SER A 84 23.096 19.889 13.947 1.00 0.00 O ATOM 1299 CB SER A 84 25.441 20.033 12.265 1.00 0.00 C ATOM 1300 OG SER A 84 25.232 21.338 12.785 1.00 0.00 O ATOM 0 H SER A 84 22.977 21.053 11.266 1.00 0.00 H new ATOM 0 HA SER A 84 24.371 18.423 11.341 1.00 0.00 H new ATOM 0 HB2 SER A 84 25.913 19.410 13.025 1.00 0.00 H new ATOM 0 HB3 SER A 84 26.130 20.084 11.422 1.00 0.00 H new ATOM 0 HG SER A 84 24.423 21.344 13.338 1.00 0.00 H new ATOM 1306 N PRO A 85 22.353 17.960 12.941 1.00 0.00 N ATOM 1307 CA PRO A 85 21.434 17.558 14.043 1.00 0.00 C ATOM 1308 C PRO A 85 22.176 17.404 15.389 1.00 0.00 C ATOM 1309 O PRO A 85 21.778 18.001 16.398 1.00 0.00 O ATOM 1310 CB PRO A 85 20.835 16.209 13.546 1.00 0.00 C ATOM 1311 CG PRO A 85 20.966 16.271 12.053 1.00 0.00 C ATOM 1312 CD PRO A 85 22.257 17.015 11.791 1.00 0.00 C ATOM 0 HA PRO A 85 20.668 18.307 14.244 1.00 0.00 H new ATOM 0 HB2 PRO A 85 21.377 15.358 13.958 1.00 0.00 H new ATOM 0 HB3 PRO A 85 19.794 16.101 13.850 1.00 0.00 H new ATOM 0 HG2 PRO A 85 20.994 15.271 11.620 1.00 0.00 H new ATOM 0 HG3 PRO A 85 20.117 16.788 11.606 1.00 0.00 H new ATOM 0 HD2 PRO A 85 23.110 16.338 11.755 1.00 0.00 H new ATOM 0 HD3 PRO A 85 22.230 17.544 10.838 1.00 0.00 H new ATOM 1320 N SER A 86 23.272 16.618 15.362 1.00 0.00 N ATOM 1321 CA SER A 86 24.203 16.455 16.489 1.00 0.00 C ATOM 1322 C SER A 86 25.466 15.699 15.993 1.00 0.00 C ATOM 1323 O SER A 86 25.484 14.450 16.017 1.00 0.00 O ATOM 1324 CB SER A 86 23.525 15.744 17.702 1.00 0.00 C ATOM 1325 OG SER A 86 22.851 14.552 17.313 1.00 0.00 O ATOM 1326 OXT SER A 86 26.424 16.359 15.538 1.00 0.00 O ATOM 0 H SER A 86 23.536 16.072 14.542 1.00 0.00 H new ATOM 0 HA SER A 86 24.503 17.437 16.853 1.00 0.00 H new ATOM 0 HB2 SER A 86 24.280 15.505 18.451 1.00 0.00 H new ATOM 0 HB3 SER A 86 22.815 16.425 18.171 1.00 0.00 H new ATOM 0 HG SER A 86 23.426 14.032 16.713 1.00 0.00 H new TER 1332 SER A 86