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 27 GLN : amide:sc= 0.321 K(o=-0.063,f=-2.7!) USER MOD Set 1.2: A 41 GLN : amide:sc= -0.384 K(o=-0.063,f=-2.9) USER MOD Set 2.1: A 12 HIS : no HD1:sc= -0.03 X(o=0.028,f=-0.077) USER MOD Set 2.2: A 34 THR OG1 : rot -28:sc= 0.0581 USER MOD Single : A 1 TRP N :NH3+ -142:sc= 0.792 (180deg=0.421!) USER MOD Single : A 5 CYS SG : rot 180:sc= -1.55 USER MOD Single : A 6 LYS NZ :NH3+ 167:sc= -0.0184 (180deg=-0.196) USER MOD Single : A 8 LYS NZ :NH3+ -114:sc= -1.02 (180deg=-3.29!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -2.33! X(o=-2.3!,f=-2.4) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -120:sc= 0.61 USER MOD Single : A 29 GLN :FLIP amide:sc=-0.000741 F(o=-1.2,f=-0.00074) USER MOD Single : A 40 SER OG : rot -157:sc= -1.4 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 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 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= -0.739 USER MOD Single : A 71 MET CE :methyl -143:sc= -1.39 (180deg=-3.48!) 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 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 1 0.952 0.172 -0.371 1.00 0.00 N ATOM 2 CA TRP A 1 1.906 0.169 -1.495 1.00 0.00 C ATOM 3 C TRP A 1 3.295 -0.242 -0.980 1.00 0.00 C ATOM 4 O TRP A 1 3.742 0.238 0.071 1.00 0.00 O ATOM 5 CB TRP A 1 1.953 1.559 -2.188 1.00 0.00 C ATOM 6 CG TRP A 1 0.689 1.973 -2.911 1.00 0.00 C ATOM 7 CD1 TRP A 1 -0.600 1.580 -2.661 1.00 0.00 C ATOM 8 CD2 TRP A 1 0.609 2.897 -4.001 1.00 0.00 C ATOM 9 NE1 TRP A 1 -1.456 2.178 -3.546 1.00 0.00 N ATOM 10 CE2 TRP A 1 -0.738 2.992 -4.376 1.00 0.00 C ATOM 11 CE3 TRP A 1 1.557 3.632 -4.705 1.00 0.00 C ATOM 12 CZ2 TRP A 1 -1.163 3.806 -5.417 1.00 0.00 C ATOM 13 CZ3 TRP A 1 1.132 4.449 -5.727 1.00 0.00 C ATOM 14 CH2 TRP A 1 -0.214 4.525 -6.084 1.00 0.00 C ATOM 0 H1 TRP A 1 0.032 -0.188 -0.696 1.00 0.00 H new ATOM 0 H2 TRP A 1 1.312 -0.436 0.392 1.00 0.00 H new ATOM 0 H3 TRP A 1 0.838 1.143 -0.015 1.00 0.00 H new ATOM 0 HA TRP A 1 1.577 -0.553 -2.242 1.00 0.00 H new ATOM 0 HB2 TRP A 1 2.183 2.313 -1.435 1.00 0.00 H new ATOM 0 HB3 TRP A 1 2.776 1.561 -2.903 1.00 0.00 H new ATOM 0 HD1 TRP A 1 -0.897 0.897 -1.879 1.00 0.00 H new ATOM 0 HE1 TRP A 1 -2.466 2.039 -3.580 1.00 0.00 H new ATOM 0 HE3 TRP A 1 2.605 3.563 -4.454 1.00 0.00 H new ATOM 0 HZ2 TRP A 1 -2.206 3.868 -5.689 1.00 0.00 H new ATOM 0 HZ3 TRP A 1 1.856 5.044 -6.264 1.00 0.00 H new ATOM 0 HH2 TRP A 1 -0.511 5.164 -6.903 1.00 0.00 H new ATOM 27 N ARG A 2 3.948 -1.160 -1.712 1.00 0.00 N ATOM 28 CA ARG A 2 5.300 -1.666 -1.390 1.00 0.00 C ATOM 29 C ARG A 2 6.258 -1.277 -2.528 1.00 0.00 C ATOM 30 O ARG A 2 6.434 -2.025 -3.490 1.00 0.00 O ATOM 31 CB ARG A 2 5.257 -3.205 -1.193 1.00 0.00 C ATOM 32 CG ARG A 2 4.339 -3.681 -0.046 1.00 0.00 C ATOM 33 CD ARG A 2 4.249 -5.213 0.021 1.00 0.00 C ATOM 34 NE ARG A 2 3.849 -5.796 -1.278 1.00 0.00 N ATOM 35 CZ ARG A 2 4.286 -6.964 -1.777 1.00 0.00 C ATOM 36 NH1 ARG A 2 5.109 -7.746 -1.087 1.00 0.00 N ATOM 37 NH2 ARG A 2 3.886 -7.346 -2.975 1.00 0.00 N ATOM 0 H ARG A 2 3.551 -1.578 -2.553 1.00 0.00 H new ATOM 0 HA ARG A 2 5.657 -1.222 -0.460 1.00 0.00 H new ATOM 0 HB2 ARG A 2 4.925 -3.668 -2.122 1.00 0.00 H new ATOM 0 HB3 ARG A 2 6.269 -3.562 -1.003 1.00 0.00 H new ATOM 0 HG2 ARG A 2 4.716 -3.298 0.902 1.00 0.00 H new ATOM 0 HG3 ARG A 2 3.341 -3.265 -0.184 1.00 0.00 H new ATOM 0 HD2 ARG A 2 5.214 -5.621 0.321 1.00 0.00 H new ATOM 0 HD3 ARG A 2 3.529 -5.502 0.786 1.00 0.00 H new ATOM 0 HE ARG A 2 3.185 -5.266 -1.843 1.00 0.00 H new ATOM 0 HH11 ARG A 2 5.422 -7.464 -0.158 1.00 0.00 H new ATOM 0 HH12 ARG A 2 5.428 -8.629 -1.486 1.00 0.00 H new ATOM 0 HH21 ARG A 2 3.251 -6.756 -3.513 1.00 0.00 H new ATOM 0 HH22 ARG A 2 4.212 -8.231 -3.363 1.00 0.00 H new ATOM 51 N VAL A 3 6.842 -0.080 -2.415 1.00 0.00 N ATOM 52 CA VAL A 3 7.620 0.550 -3.497 1.00 0.00 C ATOM 53 C VAL A 3 9.109 0.147 -3.422 1.00 0.00 C ATOM 54 O VAL A 3 9.697 0.111 -2.338 1.00 0.00 O ATOM 55 CB VAL A 3 7.451 2.116 -3.429 1.00 0.00 C ATOM 56 CG1 VAL A 3 8.348 2.850 -4.458 1.00 0.00 C ATOM 57 CG2 VAL A 3 5.956 2.503 -3.613 1.00 0.00 C ATOM 0 H VAL A 3 6.791 0.486 -1.568 1.00 0.00 H new ATOM 0 HA VAL A 3 7.238 0.196 -4.455 1.00 0.00 H new ATOM 0 HB VAL A 3 7.780 2.440 -2.442 1.00 0.00 H new ATOM 0 HG11 VAL A 3 8.195 3.926 -4.372 1.00 0.00 H new ATOM 0 HG12 VAL A 3 9.394 2.615 -4.262 1.00 0.00 H new ATOM 0 HG13 VAL A 3 8.086 2.526 -5.465 1.00 0.00 H new ATOM 0 HG21 VAL A 3 5.852 3.587 -3.564 1.00 0.00 H new ATOM 0 HG22 VAL A 3 5.605 2.148 -4.582 1.00 0.00 H new ATOM 0 HG23 VAL A 3 5.362 2.046 -2.822 1.00 0.00 H new ATOM 67 N ARG A 4 9.700 -0.154 -4.596 1.00 0.00 N ATOM 68 CA ARG A 4 11.127 -0.497 -4.730 1.00 0.00 C ATOM 69 C ARG A 4 11.943 0.801 -4.912 1.00 0.00 C ATOM 70 O ARG A 4 11.517 1.699 -5.646 1.00 0.00 O ATOM 71 CB ARG A 4 11.326 -1.456 -5.937 1.00 0.00 C ATOM 72 CG ARG A 4 10.527 -2.776 -5.831 1.00 0.00 C ATOM 73 CD ARG A 4 10.680 -3.681 -7.066 1.00 0.00 C ATOM 74 NE ARG A 4 9.957 -4.962 -6.895 1.00 0.00 N ATOM 75 CZ ARG A 4 9.678 -5.840 -7.872 1.00 0.00 C ATOM 76 NH1 ARG A 4 10.025 -5.600 -9.132 1.00 0.00 N ATOM 77 NH2 ARG A 4 9.043 -6.964 -7.575 1.00 0.00 N ATOM 0 H ARG A 4 9.196 -0.165 -5.483 1.00 0.00 H new ATOM 0 HA ARG A 4 11.475 -1.007 -3.832 1.00 0.00 H new ATOM 0 HB2 ARG A 4 11.033 -0.939 -6.851 1.00 0.00 H new ATOM 0 HB3 ARG A 4 12.386 -1.692 -6.030 1.00 0.00 H new ATOM 0 HG2 ARG A 4 10.856 -3.322 -4.946 1.00 0.00 H new ATOM 0 HG3 ARG A 4 9.472 -2.543 -5.688 1.00 0.00 H new ATOM 0 HD2 ARG A 4 10.301 -3.163 -7.947 1.00 0.00 H new ATOM 0 HD3 ARG A 4 11.737 -3.880 -7.244 1.00 0.00 H new ATOM 0 HE ARG A 4 9.644 -5.198 -5.953 1.00 0.00 H new ATOM 0 HH11 ARG A 4 10.512 -4.736 -9.371 1.00 0.00 H new ATOM 0 HH12 ARG A 4 9.804 -6.279 -9.860 1.00 0.00 H new ATOM 0 HH21 ARG A 4 8.770 -7.156 -6.611 1.00 0.00 H new ATOM 0 HH22 ARG A 4 8.827 -7.637 -8.310 1.00 0.00 H new ATOM 91 N CYS A 5 13.107 0.884 -4.250 1.00 0.00 N ATOM 92 CA CYS A 5 13.953 2.095 -4.238 1.00 0.00 C ATOM 93 C CYS A 5 15.412 1.750 -4.533 1.00 0.00 C ATOM 94 O CYS A 5 16.133 1.280 -3.652 1.00 0.00 O ATOM 95 CB CYS A 5 13.849 2.798 -2.870 1.00 0.00 C ATOM 96 SG CYS A 5 15.110 4.056 -2.546 1.00 0.00 S ATOM 0 H CYS A 5 13.492 0.113 -3.705 1.00 0.00 H new ATOM 0 HA CYS A 5 13.595 2.766 -5.019 1.00 0.00 H new ATOM 0 HB2 CYS A 5 12.867 3.264 -2.794 1.00 0.00 H new ATOM 0 HB3 CYS A 5 13.904 2.042 -2.087 1.00 0.00 H new ATOM 0 HG CYS A 5 14.915 4.573 -1.370 1.00 0.00 H new ATOM 102 N LYS A 6 15.845 1.981 -5.777 1.00 0.00 N ATOM 103 CA LYS A 6 17.261 1.875 -6.151 1.00 0.00 C ATOM 104 C LYS A 6 17.993 3.085 -5.564 1.00 0.00 C ATOM 105 O LYS A 6 17.414 4.160 -5.488 1.00 0.00 O ATOM 106 CB LYS A 6 17.428 1.846 -7.694 1.00 0.00 C ATOM 107 CG LYS A 6 18.882 1.628 -8.177 1.00 0.00 C ATOM 108 CD LYS A 6 19.422 0.221 -7.798 1.00 0.00 C ATOM 109 CE LYS A 6 18.778 -0.904 -8.630 1.00 0.00 C ATOM 110 NZ LYS A 6 19.110 -0.792 -10.067 1.00 0.00 N ATOM 0 H LYS A 6 15.231 2.244 -6.547 1.00 0.00 H new ATOM 0 HA LYS A 6 17.678 0.947 -5.759 1.00 0.00 H new ATOM 0 HB2 LYS A 6 16.801 1.052 -8.100 1.00 0.00 H new ATOM 0 HB3 LYS A 6 17.059 2.786 -8.105 1.00 0.00 H new ATOM 0 HG2 LYS A 6 18.926 1.753 -9.259 1.00 0.00 H new ATOM 0 HG3 LYS A 6 19.526 2.392 -7.741 1.00 0.00 H new ATOM 0 HD2 LYS A 6 20.502 0.200 -7.940 1.00 0.00 H new ATOM 0 HD3 LYS A 6 19.236 0.037 -6.740 1.00 0.00 H new ATOM 0 HE2 LYS A 6 19.115 -1.870 -8.255 1.00 0.00 H new ATOM 0 HE3 LYS A 6 17.696 -0.873 -8.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 18.849 -1.673 -10.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 18.584 0.003 -10.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 20.131 -0.626 -10.176 1.00 0.00 H new ATOM 124 N ALA A 7 19.240 2.908 -5.133 1.00 0.00 N ATOM 125 CA ALA A 7 20.020 3.990 -4.507 1.00 0.00 C ATOM 126 C ALA A 7 21.475 3.981 -4.991 1.00 0.00 C ATOM 127 O ALA A 7 21.816 3.286 -5.956 1.00 0.00 O ATOM 128 CB ALA A 7 19.926 3.868 -2.977 1.00 0.00 C ATOM 0 H ALA A 7 19.740 2.022 -5.204 1.00 0.00 H new ATOM 0 HA ALA A 7 19.600 4.951 -4.805 1.00 0.00 H new ATOM 0 HB1 ALA A 7 20.503 4.668 -2.512 1.00 0.00 H new ATOM 0 HB2 ALA A 7 18.883 3.946 -2.669 1.00 0.00 H new ATOM 0 HB3 ALA A 7 20.325 2.903 -2.664 1.00 0.00 H new ATOM 134 N LYS A 8 22.313 4.783 -4.300 1.00 0.00 N ATOM 135 CA LYS A 8 23.771 4.895 -4.534 1.00 0.00 C ATOM 136 C LYS A 8 24.482 3.516 -4.570 1.00 0.00 C ATOM 137 O LYS A 8 25.528 3.366 -5.215 1.00 0.00 O ATOM 138 CB LYS A 8 24.394 5.773 -3.413 1.00 0.00 C ATOM 139 CG LYS A 8 24.176 5.211 -1.978 1.00 0.00 C ATOM 140 CD LYS A 8 24.879 6.012 -0.852 1.00 0.00 C ATOM 141 CE LYS A 8 26.425 5.958 -0.910 1.00 0.00 C ATOM 142 NZ LYS A 8 27.002 6.827 -1.969 1.00 0.00 N ATOM 0 H LYS A 8 21.987 5.386 -3.545 1.00 0.00 H new ATOM 0 HA LYS A 8 23.915 5.352 -5.513 1.00 0.00 H new ATOM 0 HB2 LYS A 8 25.464 5.872 -3.595 1.00 0.00 H new ATOM 0 HB3 LYS A 8 23.967 6.774 -3.469 1.00 0.00 H new ATOM 0 HG2 LYS A 8 23.106 5.185 -1.772 1.00 0.00 H new ATOM 0 HG3 LYS A 8 24.532 4.181 -1.948 1.00 0.00 H new ATOM 0 HD2 LYS A 8 24.560 7.053 -0.907 1.00 0.00 H new ATOM 0 HD3 LYS A 8 24.548 5.628 0.113 1.00 0.00 H new ATOM 0 HE2 LYS A 8 26.829 6.258 0.057 1.00 0.00 H new ATOM 0 HE3 LYS A 8 26.740 4.929 -1.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 27.458 6.236 -2.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 26.245 7.389 -2.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 27.707 7.465 -1.548 1.00 0.00 H new ATOM 156 N GLY A 9 23.913 2.538 -3.841 1.00 0.00 N ATOM 157 CA GLY A 9 24.450 1.188 -3.780 1.00 0.00 C ATOM 158 C GLY A 9 23.431 0.212 -3.218 1.00 0.00 C ATOM 159 O GLY A 9 23.386 -0.006 -2.006 1.00 0.00 O ATOM 0 H GLY A 9 23.070 2.673 -3.283 1.00 0.00 H new ATOM 0 HA2 GLY A 9 24.750 0.869 -4.778 1.00 0.00 H new ATOM 0 HA3 GLY A 9 25.346 1.179 -3.159 1.00 0.00 H new ATOM 163 N GLY A 10 22.582 -0.339 -4.106 1.00 0.00 N ATOM 164 CA GLY A 10 21.597 -1.370 -3.747 1.00 0.00 C ATOM 165 C GLY A 10 20.161 -0.871 -3.791 1.00 0.00 C ATOM 166 O GLY A 10 19.910 0.339 -3.867 1.00 0.00 O ATOM 0 H GLY A 10 22.562 -0.080 -5.092 1.00 0.00 H new ATOM 0 HA2 GLY A 10 21.702 -2.215 -4.427 1.00 0.00 H new ATOM 0 HA3 GLY A 10 21.816 -1.738 -2.745 1.00 0.00 H new ATOM 170 N THR A 11 19.213 -1.824 -3.740 1.00 0.00 N ATOM 171 CA THR A 11 17.772 -1.536 -3.751 1.00 0.00 C ATOM 172 C THR A 11 17.167 -1.760 -2.349 1.00 0.00 C ATOM 173 O THR A 11 17.637 -2.604 -1.578 1.00 0.00 O ATOM 174 CB THR A 11 17.026 -2.426 -4.802 1.00 0.00 C ATOM 175 OG1 THR A 11 17.762 -2.432 -6.023 1.00 0.00 O ATOM 176 CG2 THR A 11 15.600 -1.919 -5.095 1.00 0.00 C ATOM 0 H THR A 11 19.429 -2.820 -3.690 1.00 0.00 H new ATOM 0 HA THR A 11 17.643 -0.491 -4.032 1.00 0.00 H new ATOM 0 HB THR A 11 16.950 -3.428 -4.380 1.00 0.00 H new ATOM 0 HG1 THR A 11 17.298 -2.990 -6.682 1.00 0.00 H new ATOM 0 HG21 THR A 11 15.126 -2.570 -5.829 1.00 0.00 H new ATOM 0 HG22 THR A 11 15.016 -1.924 -4.175 1.00 0.00 H new ATOM 0 HG23 THR A 11 15.649 -0.904 -5.488 1.00 0.00 H new ATOM 184 N HIS A 12 16.105 -0.998 -2.053 1.00 0.00 N ATOM 185 CA HIS A 12 15.385 -1.002 -0.767 1.00 0.00 C ATOM 186 C HIS A 12 13.902 -1.325 -1.041 1.00 0.00 C ATOM 187 O HIS A 12 13.448 -1.235 -2.189 1.00 0.00 O ATOM 188 CB HIS A 12 15.502 0.388 -0.081 1.00 0.00 C ATOM 189 CG HIS A 12 16.916 0.900 0.087 1.00 0.00 C ATOM 190 ND1 HIS A 12 17.617 0.827 1.275 1.00 0.00 N ATOM 191 CD2 HIS A 12 17.751 1.506 -0.796 1.00 0.00 C ATOM 192 CE1 HIS A 12 18.812 1.361 1.110 1.00 0.00 C ATOM 193 NE2 HIS A 12 18.919 1.776 -0.134 1.00 0.00 N ATOM 0 H HIS A 12 15.708 -0.339 -2.723 1.00 0.00 H new ATOM 0 HA HIS A 12 15.818 -1.751 -0.104 1.00 0.00 H new ATOM 0 HB2 HIS A 12 14.936 1.114 -0.665 1.00 0.00 H new ATOM 0 HB3 HIS A 12 15.032 0.333 0.901 1.00 0.00 H new ATOM 0 HD2 HIS A 12 17.534 1.733 -1.829 1.00 0.00 H new ATOM 0 HE1 HIS A 12 19.575 1.444 1.870 1.00 0.00 H new ATOM 0 HE2 HIS A 12 19.739 2.226 -0.540 1.00 0.00 H new ATOM 202 N LEU A 13 13.148 -1.685 0.011 1.00 0.00 N ATOM 203 CA LEU A 13 11.705 -1.974 -0.101 1.00 0.00 C ATOM 204 C LEU A 13 10.966 -1.148 0.970 1.00 0.00 C ATOM 205 O LEU A 13 11.001 -1.480 2.165 1.00 0.00 O ATOM 206 CB LEU A 13 11.438 -3.515 0.037 1.00 0.00 C ATOM 207 CG LEU A 13 10.210 -4.101 -0.752 1.00 0.00 C ATOM 208 CD1 LEU A 13 8.880 -3.447 -0.341 1.00 0.00 C ATOM 209 CD2 LEU A 13 10.433 -3.999 -2.276 1.00 0.00 C ATOM 0 H LEU A 13 13.516 -1.784 0.957 1.00 0.00 H new ATOM 0 HA LEU A 13 11.329 -1.688 -1.084 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.333 -4.044 -0.289 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.301 -3.742 1.094 1.00 0.00 H new ATOM 0 HG LEU A 13 10.136 -5.155 -0.485 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.065 -3.888 -0.915 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.706 -3.613 0.722 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.925 -2.376 -0.538 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.570 -4.411 -2.798 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.561 -2.953 -2.556 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.326 -4.561 -2.551 1.00 0.00 H new ATOM 221 N LEU A 14 10.344 -0.053 0.521 1.00 0.00 N ATOM 222 CA LEU A 14 9.618 0.890 1.380 1.00 0.00 C ATOM 223 C LEU A 14 8.208 0.359 1.685 1.00 0.00 C ATOM 224 O LEU A 14 7.412 0.098 0.771 1.00 0.00 O ATOM 225 CB LEU A 14 9.539 2.299 0.711 1.00 0.00 C ATOM 226 CG LEU A 14 10.828 3.184 0.752 1.00 0.00 C ATOM 227 CD1 LEU A 14 12.025 2.512 0.057 1.00 0.00 C ATOM 228 CD2 LEU A 14 10.558 4.599 0.173 1.00 0.00 C ATOM 0 H LEU A 14 10.330 0.208 -0.465 1.00 0.00 H new ATOM 0 HA LEU A 14 10.163 0.989 2.319 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.257 2.162 -0.333 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.732 2.855 1.189 1.00 0.00 H new ATOM 0 HG LEU A 14 11.099 3.296 1.802 1.00 0.00 H new ATOM 0 HD11 LEU A 14 12.894 3.168 0.114 1.00 0.00 H new ATOM 0 HD12 LEU A 14 12.250 1.568 0.553 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.780 2.324 -0.988 1.00 0.00 H new ATOM 0 HD21 LEU A 14 11.473 5.190 0.215 1.00 0.00 H new ATOM 0 HD22 LEU A 14 10.230 4.512 -0.863 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.781 5.090 0.759 1.00 0.00 H new ATOM 240 N GLN A 15 7.928 0.199 2.987 1.00 0.00 N ATOM 241 CA GLN A 15 6.608 -0.188 3.506 1.00 0.00 C ATOM 242 C GLN A 15 5.852 1.062 3.989 1.00 0.00 C ATOM 243 O GLN A 15 6.466 2.106 4.250 1.00 0.00 O ATOM 244 CB GLN A 15 6.775 -1.201 4.677 1.00 0.00 C ATOM 245 CG GLN A 15 7.516 -2.505 4.300 1.00 0.00 C ATOM 246 CD GLN A 15 6.758 -3.391 3.301 1.00 0.00 C ATOM 247 OE1 GLN A 15 5.533 -3.409 3.258 1.00 0.00 O ATOM 248 NE2 GLN A 15 7.485 -4.137 2.491 1.00 0.00 N ATOM 0 H GLN A 15 8.623 0.337 3.720 1.00 0.00 H new ATOM 0 HA GLN A 15 6.034 -0.663 2.710 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.316 -0.713 5.488 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.788 -1.458 5.061 1.00 0.00 H new ATOM 0 HG2 GLN A 15 8.488 -2.249 3.877 1.00 0.00 H new ATOM 0 HG3 GLN A 15 7.704 -3.078 5.208 1.00 0.00 H new ATOM 0 HE21 GLN A 15 8.503 -4.106 2.545 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.029 -4.745 1.811 1.00 0.00 H new ATOM 257 N GLY A 16 4.518 0.943 4.094 1.00 0.00 N ATOM 258 CA GLY A 16 3.668 2.008 4.642 1.00 0.00 C ATOM 259 C GLY A 16 3.302 3.089 3.640 1.00 0.00 C ATOM 260 O GLY A 16 2.761 4.135 4.026 1.00 0.00 O ATOM 0 H GLY A 16 4.004 0.112 3.803 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.752 1.563 5.030 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.181 2.469 5.486 1.00 0.00 H new ATOM 264 N LEU A 17 3.602 2.843 2.350 1.00 0.00 N ATOM 265 CA LEU A 17 3.260 3.763 1.257 1.00 0.00 C ATOM 266 C LEU A 17 1.752 3.683 0.968 1.00 0.00 C ATOM 267 O LEU A 17 1.159 2.602 0.964 1.00 0.00 O ATOM 268 CB LEU A 17 4.109 3.464 -0.021 1.00 0.00 C ATOM 269 CG LEU A 17 5.518 4.132 -0.100 1.00 0.00 C ATOM 270 CD1 LEU A 17 5.393 5.648 -0.320 1.00 0.00 C ATOM 271 CD2 LEU A 17 6.370 3.819 1.147 1.00 0.00 C ATOM 0 H LEU A 17 4.088 2.001 2.041 1.00 0.00 H new ATOM 0 HA LEU A 17 3.500 4.781 1.563 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.240 2.385 -0.098 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.534 3.778 -0.892 1.00 0.00 H new ATOM 0 HG LEU A 17 6.036 3.705 -0.959 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.387 6.091 -0.372 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.862 5.838 -1.253 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.841 6.092 0.508 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.343 4.302 1.054 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.863 4.193 2.037 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.507 2.741 1.233 1.00 0.00 H new ATOM 283 N SER A 18 1.156 4.850 0.763 1.00 0.00 N ATOM 284 CA SER A 18 -0.268 5.016 0.457 1.00 0.00 C ATOM 285 C SER A 18 -0.423 5.536 -0.982 1.00 0.00 C ATOM 286 O SER A 18 0.574 5.759 -1.669 1.00 0.00 O ATOM 287 CB SER A 18 -0.872 6.012 1.477 1.00 0.00 C ATOM 288 OG SER A 18 -0.590 5.617 2.815 1.00 0.00 O ATOM 0 H SER A 18 1.660 5.736 0.805 1.00 0.00 H new ATOM 0 HA SER A 18 -0.795 4.065 0.532 1.00 0.00 H new ATOM 0 HB2 SER A 18 -0.469 7.009 1.297 1.00 0.00 H new ATOM 0 HB3 SER A 18 -1.951 6.073 1.333 1.00 0.00 H new ATOM 0 HG SER A 18 -0.982 6.265 3.437 1.00 0.00 H new ATOM 294 N SER A 19 -1.669 5.705 -1.445 1.00 0.00 N ATOM 295 CA SER A 19 -1.957 6.394 -2.721 1.00 0.00 C ATOM 296 C SER A 19 -1.959 7.923 -2.506 1.00 0.00 C ATOM 297 O SER A 19 -1.664 8.694 -3.426 1.00 0.00 O ATOM 298 CB SER A 19 -3.310 5.913 -3.289 1.00 0.00 C ATOM 299 OG SER A 19 -4.347 6.060 -2.335 1.00 0.00 O ATOM 0 H SER A 19 -2.501 5.374 -0.956 1.00 0.00 H new ATOM 0 HA SER A 19 -1.179 6.151 -3.444 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.554 6.482 -4.186 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.231 4.867 -3.587 1.00 0.00 H new ATOM 0 HG SER A 19 -5.193 5.750 -2.721 1.00 0.00 H new ATOM 305 N ARG A 20 -2.275 8.335 -1.253 1.00 0.00 N ATOM 306 CA ARG A 20 -2.353 9.758 -0.845 1.00 0.00 C ATOM 307 C ARG A 20 -0.981 10.314 -0.401 1.00 0.00 C ATOM 308 O ARG A 20 -0.902 11.443 0.109 1.00 0.00 O ATOM 309 CB ARG A 20 -3.391 9.921 0.309 1.00 0.00 C ATOM 310 CG ARG A 20 -3.021 9.172 1.618 1.00 0.00 C ATOM 311 CD ARG A 20 -4.093 9.301 2.714 1.00 0.00 C ATOM 312 NE ARG A 20 -3.718 8.587 3.957 1.00 0.00 N ATOM 313 CZ ARG A 20 -4.453 8.560 5.083 1.00 0.00 C ATOM 314 NH1 ARG A 20 -5.647 9.141 5.133 1.00 0.00 N ATOM 315 NH2 ARG A 20 -3.996 7.928 6.155 1.00 0.00 N ATOM 0 H ARG A 20 -2.484 7.686 -0.495 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.672 10.332 -1.715 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.504 10.982 0.532 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.360 9.563 -0.038 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.865 8.117 1.394 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.075 9.560 1.996 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.254 10.355 2.938 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.038 8.906 2.342 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.835 8.077 3.959 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.018 9.616 4.310 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.193 9.112 5.994 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.088 7.463 6.125 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.552 7.906 7.010 1.00 0.00 H new ATOM 329 N THR A 21 0.080 9.510 -0.579 1.00 0.00 N ATOM 330 CA THR A 21 1.447 9.895 -0.231 1.00 0.00 C ATOM 331 C THR A 21 1.909 11.106 -1.075 1.00 0.00 C ATOM 332 O THR A 21 2.038 11.026 -2.299 1.00 0.00 O ATOM 333 CB THR A 21 2.403 8.683 -0.416 1.00 0.00 C ATOM 334 OG1 THR A 21 1.972 7.619 0.435 1.00 0.00 O ATOM 335 CG2 THR A 21 3.869 9.017 -0.108 1.00 0.00 C ATOM 0 H THR A 21 0.007 8.571 -0.971 1.00 0.00 H new ATOM 0 HA THR A 21 1.472 10.197 0.816 1.00 0.00 H new ATOM 0 HB THR A 21 2.359 8.393 -1.466 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.689 7.391 1.062 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.483 8.129 -0.256 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.209 9.809 -0.775 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.957 9.350 0.926 1.00 0.00 H new ATOM 343 N ARG A 22 2.090 12.236 -0.388 1.00 0.00 N ATOM 344 CA ARG A 22 2.561 13.499 -0.981 1.00 0.00 C ATOM 345 C ARG A 22 4.096 13.478 -1.135 1.00 0.00 C ATOM 346 O ARG A 22 4.733 12.493 -0.780 1.00 0.00 O ATOM 347 CB ARG A 22 2.082 14.670 -0.082 1.00 0.00 C ATOM 348 CG ARG A 22 0.543 14.694 0.103 1.00 0.00 C ATOM 349 CD ARG A 22 0.053 15.771 1.077 1.00 0.00 C ATOM 350 NE ARG A 22 0.511 15.539 2.464 1.00 0.00 N ATOM 351 CZ ARG A 22 0.641 16.491 3.402 1.00 0.00 C ATOM 352 NH1 ARG A 22 0.440 17.768 3.118 1.00 0.00 N ATOM 353 NH2 ARG A 22 0.982 16.156 4.632 1.00 0.00 N ATOM 0 H ARG A 22 1.911 12.305 0.614 1.00 0.00 H new ATOM 0 HA ARG A 22 2.146 13.631 -1.980 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.560 14.591 0.895 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.406 15.614 -0.520 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.072 14.854 -0.867 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.214 13.718 0.460 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.406 16.746 0.741 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.036 15.802 1.059 1.00 0.00 H new ATOM 0 HE ARG A 22 0.746 14.582 2.728 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.181 18.045 2.171 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.544 18.475 3.846 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.146 15.177 4.867 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.082 16.876 5.348 1.00 0.00 H new ATOM 367 N LEU A 23 4.678 14.570 -1.681 1.00 0.00 N ATOM 368 CA LEU A 23 6.153 14.725 -1.853 1.00 0.00 C ATOM 369 C LEU A 23 6.849 14.591 -0.490 1.00 0.00 C ATOM 370 O LEU A 23 7.737 13.751 -0.314 1.00 0.00 O ATOM 371 CB LEU A 23 6.452 16.118 -2.502 1.00 0.00 C ATOM 372 CG LEU A 23 7.925 16.486 -2.966 1.00 0.00 C ATOM 373 CD1 LEU A 23 7.929 17.835 -3.712 1.00 0.00 C ATOM 374 CD2 LEU A 23 8.969 16.556 -1.823 1.00 0.00 C ATOM 0 H LEU A 23 4.144 15.372 -2.017 1.00 0.00 H new ATOM 0 HA LEU A 23 6.537 13.944 -2.510 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.806 16.213 -3.375 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.138 16.880 -1.789 1.00 0.00 H new ATOM 0 HG LEU A 23 8.225 15.665 -3.617 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.945 18.075 -4.024 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.286 17.767 -4.590 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.558 18.618 -3.050 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.944 16.813 -2.236 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.668 17.316 -1.102 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.030 15.588 -1.326 1.00 0.00 H new ATOM 386 N ARG A 24 6.427 15.442 0.465 1.00 0.00 N ATOM 387 CA ARG A 24 7.037 15.533 1.812 1.00 0.00 C ATOM 388 C ARG A 24 6.894 14.213 2.606 1.00 0.00 C ATOM 389 O ARG A 24 7.631 13.976 3.568 1.00 0.00 O ATOM 390 CB ARG A 24 6.444 16.761 2.571 1.00 0.00 C ATOM 391 CG ARG A 24 4.886 16.802 2.707 1.00 0.00 C ATOM 392 CD ARG A 24 4.333 16.008 3.906 1.00 0.00 C ATOM 393 NE ARG A 24 4.770 16.571 5.192 1.00 0.00 N ATOM 394 CZ ARG A 24 4.377 16.145 6.402 1.00 0.00 C ATOM 395 NH1 ARG A 24 3.594 15.091 6.546 1.00 0.00 N ATOM 396 NH2 ARG A 24 4.804 16.762 7.479 1.00 0.00 N ATOM 0 H ARG A 24 5.651 16.089 0.327 1.00 0.00 H new ATOM 0 HA ARG A 24 8.110 15.688 1.702 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.876 16.787 3.571 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.767 17.668 2.061 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.568 17.841 2.796 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.443 16.411 1.791 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.244 16.002 3.865 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.660 14.971 3.835 1.00 0.00 H new ATOM 0 HE ARG A 24 5.427 17.351 5.162 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.273 14.578 5.725 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.311 14.790 7.478 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.432 17.561 7.394 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.508 16.442 8.401 1.00 0.00 H new ATOM 410 N GLU A 25 5.927 13.375 2.189 1.00 0.00 N ATOM 411 CA GLU A 25 5.750 12.016 2.715 1.00 0.00 C ATOM 412 C GLU A 25 6.773 11.071 2.041 1.00 0.00 C ATOM 413 O GLU A 25 7.548 10.403 2.710 1.00 0.00 O ATOM 414 CB GLU A 25 4.309 11.510 2.421 1.00 0.00 C ATOM 415 CG GLU A 25 3.161 12.466 2.821 1.00 0.00 C ATOM 416 CD GLU A 25 2.887 12.634 4.326 1.00 0.00 C ATOM 417 OE1 GLU A 25 3.513 11.960 5.163 1.00 0.00 O ATOM 418 OE2 GLU A 25 2.015 13.458 4.668 1.00 0.00 O ATOM 0 H GLU A 25 5.245 13.627 1.474 1.00 0.00 H new ATOM 0 HA GLU A 25 5.909 12.027 3.793 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.228 11.303 1.354 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.164 10.563 2.941 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.378 13.449 2.404 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.245 12.113 2.347 1.00 0.00 H new ATOM 425 N LEU A 26 6.776 11.097 0.690 1.00 0.00 N ATOM 426 CA LEU A 26 7.499 10.139 -0.172 1.00 0.00 C ATOM 427 C LEU A 26 9.020 10.344 -0.059 1.00 0.00 C ATOM 428 O LEU A 26 9.723 9.486 0.493 1.00 0.00 O ATOM 429 CB LEU A 26 6.967 10.294 -1.644 1.00 0.00 C ATOM 430 CG LEU A 26 7.467 9.289 -2.755 1.00 0.00 C ATOM 431 CD1 LEU A 26 8.771 9.757 -3.423 1.00 0.00 C ATOM 432 CD2 LEU A 26 7.615 7.854 -2.203 1.00 0.00 C ATOM 0 H LEU A 26 6.264 11.801 0.158 1.00 0.00 H new ATOM 0 HA LEU A 26 7.312 9.115 0.153 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.880 10.229 -1.608 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.215 11.302 -1.978 1.00 0.00 H new ATOM 0 HG LEU A 26 6.696 9.275 -3.525 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.073 9.032 -4.179 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.611 10.727 -3.894 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.555 9.844 -2.670 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.961 7.192 -2.997 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.338 7.851 -1.387 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.651 7.505 -1.834 1.00 0.00 H new ATOM 444 N GLN A 27 9.503 11.506 -0.542 1.00 0.00 N ATOM 445 CA GLN A 27 10.936 11.864 -0.502 1.00 0.00 C ATOM 446 C GLN A 27 11.443 12.032 0.949 1.00 0.00 C ATOM 447 O GLN A 27 12.657 11.968 1.198 1.00 0.00 O ATOM 448 CB GLN A 27 11.227 13.135 -1.356 1.00 0.00 C ATOM 449 CG GLN A 27 10.999 12.952 -2.874 1.00 0.00 C ATOM 450 CD GLN A 27 11.520 14.124 -3.725 1.00 0.00 C ATOM 451 OE1 GLN A 27 10.799 15.074 -4.014 1.00 0.00 O ATOM 452 NE2 GLN A 27 12.784 14.069 -4.125 1.00 0.00 N ATOM 0 H GLN A 27 8.914 12.221 -0.969 1.00 0.00 H new ATOM 0 HA GLN A 27 11.489 11.035 -0.944 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.594 13.948 -1.002 1.00 0.00 H new ATOM 0 HB3 GLN A 27 12.260 13.440 -1.191 1.00 0.00 H new ATOM 0 HG2 GLN A 27 11.489 12.034 -3.198 1.00 0.00 H new ATOM 0 HG3 GLN A 27 9.932 12.826 -3.059 1.00 0.00 H new ATOM 0 HE21 GLN A 27 13.364 13.269 -3.873 1.00 0.00 H new ATOM 0 HE22 GLN A 27 13.175 14.827 -4.685 1.00 0.00 H new ATOM 461 N GLY A 28 10.496 12.215 1.889 1.00 0.00 N ATOM 462 CA GLY A 28 10.797 12.262 3.322 1.00 0.00 C ATOM 463 C GLY A 28 11.127 10.879 3.883 1.00 0.00 C ATOM 464 O GLY A 28 12.068 10.729 4.675 1.00 0.00 O ATOM 0 H GLY A 28 9.506 12.333 1.672 1.00 0.00 H new ATOM 0 HA2 GLY A 28 11.638 12.933 3.494 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.944 12.677 3.858 1.00 0.00 H new ATOM 468 N GLN A 29 10.363 9.858 3.438 1.00 0.00 N ATOM 469 CA GLN A 29 10.574 8.449 3.850 1.00 0.00 C ATOM 470 C GLN A 29 11.867 7.911 3.236 1.00 0.00 C ATOM 471 O GLN A 29 12.587 7.157 3.881 1.00 0.00 O ATOM 472 CB GLN A 29 9.368 7.559 3.441 1.00 0.00 C ATOM 473 CG GLN A 29 8.102 7.772 4.303 1.00 0.00 C ATOM 474 CD GLN A 29 6.852 7.050 3.783 1.00 0.00 C ATOM 475 OE1 GLN A 29 6.684 6.988 2.469 1.00 0.00 O flip ATOM 476 NE2 GLN A 29 6.013 6.597 4.557 1.00 0.00 N flip ATOM 0 H GLN A 29 9.587 9.983 2.788 1.00 0.00 H new ATOM 0 HA GLN A 29 10.658 8.420 4.936 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.121 7.758 2.398 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.665 6.512 3.504 1.00 0.00 H new ATOM 0 HG2 GLN A 29 8.307 7.432 5.318 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.892 8.840 4.361 1.00 0.00 H new ATOM 0 HE21 GLN A 29 6.164 6.656 5.564 1.00 0.00 H new ATOM 0 HE22 GLN A 29 5.165 6.162 4.193 1.00 0.00 H new ATOM 485 N ILE A 30 12.150 8.326 1.990 1.00 0.00 N ATOM 486 CA ILE A 30 13.395 7.976 1.278 1.00 0.00 C ATOM 487 C ILE A 30 14.640 8.455 2.071 1.00 0.00 C ATOM 488 O ILE A 30 15.619 7.712 2.230 1.00 0.00 O ATOM 489 CB ILE A 30 13.391 8.602 -0.164 1.00 0.00 C ATOM 490 CG1 ILE A 30 12.240 7.996 -1.037 1.00 0.00 C ATOM 491 CG2 ILE A 30 14.761 8.445 -0.859 1.00 0.00 C ATOM 492 CD1 ILE A 30 12.088 8.626 -2.414 1.00 0.00 C ATOM 0 H ILE A 30 11.521 8.916 1.445 1.00 0.00 H new ATOM 0 HA ILE A 30 13.445 6.891 1.191 1.00 0.00 H new ATOM 0 HB ILE A 30 13.204 9.670 -0.056 1.00 0.00 H new ATOM 0 HG12 ILE A 30 12.419 6.928 -1.159 1.00 0.00 H new ATOM 0 HG13 ILE A 30 11.299 8.102 -0.498 1.00 0.00 H new ATOM 0 HG21 ILE A 30 14.718 8.890 -1.853 1.00 0.00 H new ATOM 0 HG22 ILE A 30 15.528 8.948 -0.269 1.00 0.00 H new ATOM 0 HG23 ILE A 30 15.006 7.386 -0.946 1.00 0.00 H new ATOM 0 HD11 ILE A 30 11.268 8.144 -2.946 1.00 0.00 H new ATOM 0 HD12 ILE A 30 11.875 9.689 -2.306 1.00 0.00 H new ATOM 0 HD13 ILE A 30 13.012 8.497 -2.977 1.00 0.00 H new ATOM 504 N ALA A 31 14.557 9.698 2.588 1.00 0.00 N ATOM 505 CA ALA A 31 15.606 10.308 3.437 1.00 0.00 C ATOM 506 C ALA A 31 15.838 9.495 4.736 1.00 0.00 C ATOM 507 O ALA A 31 16.930 9.525 5.305 1.00 0.00 O ATOM 508 CB ALA A 31 15.233 11.766 3.755 1.00 0.00 C ATOM 0 H ALA A 31 13.758 10.311 2.429 1.00 0.00 H new ATOM 0 HA ALA A 31 16.545 10.295 2.884 1.00 0.00 H new ATOM 0 HB1 ALA A 31 16.007 12.212 4.380 1.00 0.00 H new ATOM 0 HB2 ALA A 31 15.147 12.330 2.826 1.00 0.00 H new ATOM 0 HB3 ALA A 31 14.281 11.791 4.284 1.00 0.00 H new ATOM 514 N ALA A 32 14.794 8.771 5.177 1.00 0.00 N ATOM 515 CA ALA A 32 14.842 7.915 6.379 1.00 0.00 C ATOM 516 C ALA A 32 15.302 6.472 6.040 1.00 0.00 C ATOM 517 O ALA A 32 15.878 5.786 6.895 1.00 0.00 O ATOM 518 CB ALA A 32 13.462 7.904 7.060 1.00 0.00 C ATOM 0 H ALA A 32 13.888 8.762 4.708 1.00 0.00 H new ATOM 0 HA ALA A 32 15.579 8.331 7.066 1.00 0.00 H new ATOM 0 HB1 ALA A 32 13.499 7.272 7.947 1.00 0.00 H new ATOM 0 HB2 ALA A 32 13.191 8.919 7.349 1.00 0.00 H new ATOM 0 HB3 ALA A 32 12.717 7.513 6.367 1.00 0.00 H new ATOM 524 N ILE A 33 15.037 6.014 4.793 1.00 0.00 N ATOM 525 CA ILE A 33 15.362 4.638 4.350 1.00 0.00 C ATOM 526 C ILE A 33 16.833 4.548 3.877 1.00 0.00 C ATOM 527 O ILE A 33 17.674 3.949 4.555 1.00 0.00 O ATOM 528 CB ILE A 33 14.384 4.153 3.200 1.00 0.00 C ATOM 529 CG1 ILE A 33 12.902 4.060 3.712 1.00 0.00 C ATOM 530 CG2 ILE A 33 14.843 2.803 2.587 1.00 0.00 C ATOM 531 CD1 ILE A 33 12.618 2.926 4.689 1.00 0.00 C ATOM 0 H ILE A 33 14.595 6.584 4.071 1.00 0.00 H new ATOM 0 HA ILE A 33 15.228 3.977 5.206 1.00 0.00 H new ATOM 0 HB ILE A 33 14.421 4.903 2.410 1.00 0.00 H new ATOM 0 HG12 ILE A 33 12.641 5.004 4.191 1.00 0.00 H new ATOM 0 HG13 ILE A 33 12.244 3.948 2.850 1.00 0.00 H new ATOM 0 HG21 ILE A 33 14.147 2.504 1.803 1.00 0.00 H new ATOM 0 HG22 ILE A 33 15.841 2.916 2.163 1.00 0.00 H new ATOM 0 HG23 ILE A 33 14.864 2.039 3.364 1.00 0.00 H new ATOM 0 HD11 ILE A 33 11.568 2.951 4.980 1.00 0.00 H new ATOM 0 HD12 ILE A 33 12.840 1.971 4.212 1.00 0.00 H new ATOM 0 HD13 ILE A 33 13.243 3.043 5.574 1.00 0.00 H new ATOM 543 N THR A 34 17.134 5.173 2.726 1.00 0.00 N ATOM 544 CA THR A 34 18.466 5.102 2.090 1.00 0.00 C ATOM 545 C THR A 34 19.391 6.211 2.615 1.00 0.00 C ATOM 546 O THR A 34 20.618 6.133 2.452 1.00 0.00 O ATOM 547 CB THR A 34 18.353 5.162 0.526 1.00 0.00 C ATOM 548 OG1 THR A 34 19.653 5.145 -0.089 1.00 0.00 O ATOM 549 CG2 THR A 34 17.570 6.386 0.036 1.00 0.00 C ATOM 0 H THR A 34 16.464 5.742 2.209 1.00 0.00 H new ATOM 0 HA THR A 34 18.907 4.142 2.357 1.00 0.00 H new ATOM 0 HB THR A 34 17.799 4.271 0.229 1.00 0.00 H new ATOM 0 HG1 THR A 34 20.311 5.533 0.525 1.00 0.00 H new ATOM 0 HG21 THR A 34 17.523 6.376 -1.053 1.00 0.00 H new ATOM 0 HG22 THR A 34 16.559 6.358 0.443 1.00 0.00 H new ATOM 0 HG23 THR A 34 18.070 7.295 0.369 1.00 0.00 H new ATOM 557 N GLY A 35 18.800 7.232 3.260 1.00 0.00 N ATOM 558 CA GLY A 35 19.567 8.311 3.876 1.00 0.00 C ATOM 559 C GLY A 35 19.873 9.455 2.921 1.00 0.00 C ATOM 560 O GLY A 35 20.493 10.446 3.330 1.00 0.00 O ATOM 0 H GLY A 35 17.790 7.326 3.364 1.00 0.00 H new ATOM 0 HA2 GLY A 35 19.013 8.699 4.731 1.00 0.00 H new ATOM 0 HA3 GLY A 35 20.504 7.908 4.260 1.00 0.00 H new ATOM 564 N ILE A 36 19.449 9.328 1.641 1.00 0.00 N ATOM 565 CA ILE A 36 19.653 10.386 0.639 1.00 0.00 C ATOM 566 C ILE A 36 18.610 11.493 0.880 1.00 0.00 C ATOM 567 O ILE A 36 17.403 11.257 0.713 1.00 0.00 O ATOM 568 CB ILE A 36 19.539 9.868 -0.854 1.00 0.00 C ATOM 569 CG1 ILE A 36 20.325 8.528 -1.077 1.00 0.00 C ATOM 570 CG2 ILE A 36 20.022 10.959 -1.846 1.00 0.00 C ATOM 571 CD1 ILE A 36 21.803 8.559 -0.704 1.00 0.00 C ATOM 0 H ILE A 36 18.966 8.504 1.285 1.00 0.00 H new ATOM 0 HA ILE A 36 20.670 10.761 0.759 1.00 0.00 H new ATOM 0 HB ILE A 36 18.487 9.658 -1.046 1.00 0.00 H new ATOM 0 HG12 ILE A 36 19.839 7.743 -0.498 1.00 0.00 H new ATOM 0 HG13 ILE A 36 20.240 8.249 -2.127 1.00 0.00 H new ATOM 0 HG21 ILE A 36 19.937 10.586 -2.867 1.00 0.00 H new ATOM 0 HG22 ILE A 36 19.407 11.852 -1.733 1.00 0.00 H new ATOM 0 HG23 ILE A 36 21.062 11.207 -1.636 1.00 0.00 H new ATOM 0 HD11 ILE A 36 22.248 7.583 -0.898 1.00 0.00 H new ATOM 0 HD12 ILE A 36 22.313 9.315 -1.301 1.00 0.00 H new ATOM 0 HD13 ILE A 36 21.906 8.801 0.354 1.00 0.00 H new ATOM 583 N ALA A 37 19.097 12.680 1.301 1.00 0.00 N ATOM 584 CA ALA A 37 18.260 13.866 1.577 1.00 0.00 C ATOM 585 C ALA A 37 17.422 14.248 0.333 1.00 0.00 C ATOM 586 O ALA A 37 17.918 14.105 -0.786 1.00 0.00 O ATOM 587 CB ALA A 37 19.152 15.044 2.026 1.00 0.00 C ATOM 0 H ALA A 37 20.091 12.843 1.460 1.00 0.00 H new ATOM 0 HA ALA A 37 17.566 13.628 2.383 1.00 0.00 H new ATOM 0 HB1 ALA A 37 18.529 15.916 2.228 1.00 0.00 H new ATOM 0 HB2 ALA A 37 19.693 14.767 2.931 1.00 0.00 H new ATOM 0 HB3 ALA A 37 19.865 15.282 1.236 1.00 0.00 H new ATOM 593 N PRO A 38 16.146 14.749 0.512 1.00 0.00 N ATOM 594 CA PRO A 38 15.216 15.054 -0.623 1.00 0.00 C ATOM 595 C PRO A 38 15.799 16.075 -1.633 1.00 0.00 C ATOM 596 O PRO A 38 15.421 16.073 -2.811 1.00 0.00 O ATOM 597 CB PRO A 38 13.937 15.584 0.086 1.00 0.00 C ATOM 598 CG PRO A 38 14.405 16.020 1.444 1.00 0.00 C ATOM 599 CD PRO A 38 15.503 15.060 1.823 1.00 0.00 C ATOM 0 HA PRO A 38 15.024 14.177 -1.241 1.00 0.00 H new ATOM 0 HB2 PRO A 38 13.494 16.414 -0.465 1.00 0.00 H new ATOM 0 HB3 PRO A 38 13.175 14.808 0.160 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.772 17.046 1.421 1.00 0.00 H new ATOM 0 HG3 PRO A 38 13.590 15.989 2.168 1.00 0.00 H new ATOM 0 HD2 PRO A 38 16.209 15.510 2.522 1.00 0.00 H new ATOM 0 HD3 PRO A 38 15.108 14.164 2.301 1.00 0.00 H new ATOM 607 N GLY A 39 16.748 16.914 -1.166 1.00 0.00 N ATOM 608 CA GLY A 39 17.456 17.872 -2.027 1.00 0.00 C ATOM 609 C GLY A 39 18.717 17.286 -2.678 1.00 0.00 C ATOM 610 O GLY A 39 19.602 18.034 -3.097 1.00 0.00 O ATOM 0 H GLY A 39 17.040 16.943 -0.189 1.00 0.00 H new ATOM 0 HA2 GLY A 39 16.779 18.217 -2.808 1.00 0.00 H new ATOM 0 HA3 GLY A 39 17.733 18.745 -1.436 1.00 0.00 H new ATOM 614 N SER A 40 18.806 15.945 -2.742 1.00 0.00 N ATOM 615 CA SER A 40 19.912 15.209 -3.396 1.00 0.00 C ATOM 616 C SER A 40 19.373 13.984 -4.156 1.00 0.00 C ATOM 617 O SER A 40 20.146 13.126 -4.585 1.00 0.00 O ATOM 618 CB SER A 40 20.959 14.765 -2.340 1.00 0.00 C ATOM 619 OG SER A 40 21.567 15.875 -1.715 1.00 0.00 O ATOM 0 H SER A 40 18.102 15.329 -2.335 1.00 0.00 H new ATOM 0 HA SER A 40 20.393 15.875 -4.112 1.00 0.00 H new ATOM 0 HB2 SER A 40 20.476 14.142 -1.587 1.00 0.00 H new ATOM 0 HB3 SER A 40 21.723 14.152 -2.819 1.00 0.00 H new ATOM 0 HG SER A 40 22.436 15.609 -1.349 1.00 0.00 H new ATOM 625 N GLN A 41 18.047 13.916 -4.337 1.00 0.00 N ATOM 626 CA GLN A 41 17.388 12.787 -5.007 1.00 0.00 C ATOM 627 C GLN A 41 16.135 13.274 -5.729 1.00 0.00 C ATOM 628 O GLN A 41 15.445 14.190 -5.258 1.00 0.00 O ATOM 629 CB GLN A 41 17.065 11.659 -3.987 1.00 0.00 C ATOM 630 CG GLN A 41 16.326 12.116 -2.697 1.00 0.00 C ATOM 631 CD GLN A 41 14.864 11.684 -2.590 1.00 0.00 C ATOM 632 OE1 GLN A 41 14.181 11.452 -3.586 1.00 0.00 O ATOM 633 NE2 GLN A 41 14.359 11.621 -1.368 1.00 0.00 N ATOM 0 H GLN A 41 17.402 14.641 -4.023 1.00 0.00 H new ATOM 0 HA GLN A 41 18.064 12.365 -5.751 1.00 0.00 H new ATOM 0 HB2 GLN A 41 16.456 10.905 -4.486 1.00 0.00 H new ATOM 0 HB3 GLN A 41 17.998 11.175 -3.698 1.00 0.00 H new ATOM 0 HG2 GLN A 41 16.866 11.728 -1.833 1.00 0.00 H new ATOM 0 HG3 GLN A 41 16.371 13.204 -2.639 1.00 0.00 H new ATOM 0 HE21 GLN A 41 14.950 11.819 -0.561 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.378 11.375 -1.233 1.00 0.00 H new ATOM 642 N ARG A 42 15.876 12.665 -6.891 1.00 0.00 N ATOM 643 CA ARG A 42 14.719 12.965 -7.741 1.00 0.00 C ATOM 644 C ARG A 42 13.943 11.671 -7.997 1.00 0.00 C ATOM 645 O ARG A 42 14.367 10.576 -7.585 1.00 0.00 O ATOM 646 CB ARG A 42 15.174 13.605 -9.086 1.00 0.00 C ATOM 647 CG ARG A 42 16.002 14.896 -8.924 1.00 0.00 C ATOM 648 CD ARG A 42 16.434 15.515 -10.266 1.00 0.00 C ATOM 649 NE ARG A 42 15.291 16.021 -11.053 1.00 0.00 N ATOM 650 CZ ARG A 42 15.356 17.016 -11.952 1.00 0.00 C ATOM 651 NH1 ARG A 42 16.495 17.660 -12.185 1.00 0.00 N ATOM 652 NH2 ARG A 42 14.268 17.375 -12.594 1.00 0.00 N ATOM 0 H ARG A 42 16.477 11.935 -7.274 1.00 0.00 H new ATOM 0 HA ARG A 42 14.074 13.683 -7.234 1.00 0.00 H new ATOM 0 HB2 ARG A 42 15.764 12.876 -9.641 1.00 0.00 H new ATOM 0 HB3 ARG A 42 14.292 13.826 -9.687 1.00 0.00 H new ATOM 0 HG2 ARG A 42 15.417 15.627 -8.366 1.00 0.00 H new ATOM 0 HG3 ARG A 42 16.890 14.678 -8.330 1.00 0.00 H new ATOM 0 HD2 ARG A 42 17.130 16.332 -10.077 1.00 0.00 H new ATOM 0 HD3 ARG A 42 16.970 14.768 -10.851 1.00 0.00 H new ATOM 0 HE ARG A 42 14.383 15.581 -10.902 1.00 0.00 H new ATOM 0 HH11 ARG A 42 17.341 17.401 -11.677 1.00 0.00 H new ATOM 0 HH12 ARG A 42 16.524 18.413 -12.872 1.00 0.00 H new ATOM 0 HH21 ARG A 42 13.385 16.899 -12.407 1.00 0.00 H new ATOM 0 HH22 ARG A 42 14.306 18.130 -13.279 1.00 0.00 H new ATOM 666 N ILE A 43 12.814 11.806 -8.699 1.00 0.00 N ATOM 667 CA ILE A 43 11.900 10.693 -8.961 1.00 0.00 C ATOM 668 C ILE A 43 12.129 10.193 -10.383 1.00 0.00 C ATOM 669 O ILE A 43 11.724 10.832 -11.369 1.00 0.00 O ATOM 670 CB ILE A 43 10.400 11.114 -8.761 1.00 0.00 C ATOM 671 CG1 ILE A 43 10.194 11.775 -7.367 1.00 0.00 C ATOM 672 CG2 ILE A 43 9.440 9.911 -8.955 1.00 0.00 C ATOM 673 CD1 ILE A 43 10.592 10.940 -6.173 1.00 0.00 C ATOM 0 H ILE A 43 12.509 12.692 -9.102 1.00 0.00 H new ATOM 0 HA ILE A 43 12.105 9.895 -8.247 1.00 0.00 H new ATOM 0 HB ILE A 43 10.157 11.851 -9.527 1.00 0.00 H new ATOM 0 HG12 ILE A 43 10.762 12.705 -7.340 1.00 0.00 H new ATOM 0 HG13 ILE A 43 9.142 12.041 -7.265 1.00 0.00 H new ATOM 0 HG21 ILE A 43 8.411 10.239 -8.809 1.00 0.00 H new ATOM 0 HG22 ILE A 43 9.554 9.513 -9.963 1.00 0.00 H new ATOM 0 HG23 ILE A 43 9.679 9.134 -8.229 1.00 0.00 H new ATOM 0 HD11 ILE A 43 10.405 11.501 -5.258 1.00 0.00 H new ATOM 0 HD12 ILE A 43 10.007 10.020 -6.161 1.00 0.00 H new ATOM 0 HD13 ILE A 43 11.652 10.695 -6.238 1.00 0.00 H new ATOM 685 N LEU A 44 12.858 9.092 -10.469 1.00 0.00 N ATOM 686 CA LEU A 44 13.147 8.396 -11.720 1.00 0.00 C ATOM 687 C LEU A 44 12.503 7.014 -11.630 1.00 0.00 C ATOM 688 O LEU A 44 12.419 6.450 -10.545 1.00 0.00 O ATOM 689 CB LEU A 44 14.687 8.322 -11.907 1.00 0.00 C ATOM 690 CG LEU A 44 15.423 9.699 -11.775 1.00 0.00 C ATOM 691 CD1 LEU A 44 16.951 9.526 -11.725 1.00 0.00 C ATOM 692 CD2 LEU A 44 14.999 10.687 -12.896 1.00 0.00 C ATOM 0 H LEU A 44 13.277 8.644 -9.654 1.00 0.00 H new ATOM 0 HA LEU A 44 12.741 8.916 -12.588 1.00 0.00 H new ATOM 0 HB2 LEU A 44 15.097 7.632 -11.169 1.00 0.00 H new ATOM 0 HB3 LEU A 44 14.901 7.902 -12.890 1.00 0.00 H new ATOM 0 HG LEU A 44 15.115 10.135 -10.825 1.00 0.00 H new ATOM 0 HD11 LEU A 44 17.425 10.503 -11.633 1.00 0.00 H new ATOM 0 HD12 LEU A 44 17.220 8.910 -10.866 1.00 0.00 H new ATOM 0 HD13 LEU A 44 17.292 9.042 -12.640 1.00 0.00 H new ATOM 0 HD21 LEU A 44 15.531 11.630 -12.770 1.00 0.00 H new ATOM 0 HD22 LEU A 44 15.243 10.260 -13.869 1.00 0.00 H new ATOM 0 HD23 LEU A 44 13.925 10.865 -12.837 1.00 0.00 H new ATOM 704 N VAL A 45 12.014 6.494 -12.751 1.00 0.00 N ATOM 705 CA VAL A 45 11.302 5.191 -12.803 1.00 0.00 C ATOM 706 C VAL A 45 12.115 4.179 -13.630 1.00 0.00 C ATOM 707 O VAL A 45 13.090 4.567 -14.275 1.00 0.00 O ATOM 708 CB VAL A 45 9.837 5.359 -13.369 1.00 0.00 C ATOM 709 CG1 VAL A 45 8.934 6.140 -12.376 1.00 0.00 C ATOM 710 CG2 VAL A 45 9.851 6.048 -14.752 1.00 0.00 C ATOM 0 H VAL A 45 12.093 6.953 -13.658 1.00 0.00 H new ATOM 0 HA VAL A 45 11.208 4.806 -11.787 1.00 0.00 H new ATOM 0 HB VAL A 45 9.416 4.361 -13.491 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.933 6.239 -12.795 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.880 5.600 -11.431 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.354 7.131 -12.204 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.829 6.151 -15.118 1.00 0.00 H new ATOM 0 HG22 VAL A 45 10.305 7.035 -14.662 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.428 5.445 -15.453 1.00 0.00 H new ATOM 720 N GLY A 46 11.718 2.886 -13.570 1.00 0.00 N ATOM 721 CA GLY A 46 12.452 1.783 -14.226 1.00 0.00 C ATOM 722 C GLY A 46 12.690 2.004 -15.721 1.00 0.00 C ATOM 723 O GLY A 46 13.810 1.840 -16.224 1.00 0.00 O ATOM 0 H GLY A 46 10.884 2.581 -13.068 1.00 0.00 H new ATOM 0 HA2 GLY A 46 13.414 1.653 -13.730 1.00 0.00 H new ATOM 0 HA3 GLY A 46 11.895 0.856 -14.089 1.00 0.00 H new ATOM 727 N TYR A 47 11.614 2.389 -16.417 1.00 0.00 N ATOM 728 CA TYR A 47 11.663 2.832 -17.828 1.00 0.00 C ATOM 729 C TYR A 47 12.132 4.318 -17.894 1.00 0.00 C ATOM 730 O TYR A 47 12.067 4.995 -16.868 1.00 0.00 O ATOM 731 CB TYR A 47 10.262 2.627 -18.482 1.00 0.00 C ATOM 732 CG TYR A 47 9.093 3.376 -17.810 1.00 0.00 C ATOM 733 CD1 TYR A 47 8.398 2.819 -16.730 1.00 0.00 C ATOM 734 CD2 TYR A 47 8.689 4.643 -18.249 1.00 0.00 C ATOM 735 CE1 TYR A 47 7.352 3.490 -16.125 1.00 0.00 C ATOM 736 CE2 TYR A 47 7.641 5.314 -17.644 1.00 0.00 C ATOM 737 CZ TYR A 47 6.983 4.737 -16.581 1.00 0.00 C ATOM 738 OH TYR A 47 5.947 5.413 -15.965 1.00 0.00 O ATOM 0 H TYR A 47 10.675 2.404 -16.020 1.00 0.00 H new ATOM 0 HA TYR A 47 12.383 2.236 -18.389 1.00 0.00 H new ATOM 0 HB2 TYR A 47 10.319 2.941 -19.524 1.00 0.00 H new ATOM 0 HB3 TYR A 47 10.034 1.561 -18.482 1.00 0.00 H new ATOM 0 HD1 TYR A 47 8.685 1.845 -16.362 1.00 0.00 H new ATOM 0 HD2 TYR A 47 9.206 5.106 -19.077 1.00 0.00 H new ATOM 0 HE1 TYR A 47 6.825 3.038 -15.297 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.340 6.287 -18.004 1.00 0.00 H new ATOM 0 HH TYR A 47 5.813 6.278 -16.406 1.00 0.00 H new ATOM 748 N PRO A 48 12.634 4.838 -19.079 1.00 0.00 N ATOM 749 CA PRO A 48 13.078 6.257 -19.227 1.00 0.00 C ATOM 750 C PRO A 48 12.058 7.298 -18.658 1.00 0.00 C ATOM 751 O PRO A 48 10.958 7.445 -19.206 1.00 0.00 O ATOM 752 CB PRO A 48 13.250 6.410 -20.761 1.00 0.00 C ATOM 753 CG PRO A 48 13.642 5.038 -21.222 1.00 0.00 C ATOM 754 CD PRO A 48 12.851 4.079 -20.351 1.00 0.00 C ATOM 0 HA PRO A 48 13.985 6.458 -18.657 1.00 0.00 H new ATOM 0 HB2 PRO A 48 12.326 6.741 -21.235 1.00 0.00 H new ATOM 0 HB3 PRO A 48 14.015 7.147 -21.005 1.00 0.00 H new ATOM 0 HG2 PRO A 48 13.407 4.896 -22.277 1.00 0.00 H new ATOM 0 HG3 PRO A 48 14.714 4.877 -21.110 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.905 3.804 -20.818 1.00 0.00 H new ATOM 0 HD3 PRO A 48 13.400 3.154 -20.175 1.00 0.00 H new ATOM 762 N PRO A 49 12.399 8.003 -17.523 1.00 0.00 N ATOM 763 CA PRO A 49 11.518 9.023 -16.903 1.00 0.00 C ATOM 764 C PRO A 49 11.621 10.393 -17.608 1.00 0.00 C ATOM 765 O PRO A 49 12.382 10.563 -18.572 1.00 0.00 O ATOM 766 CB PRO A 49 12.056 9.089 -15.450 1.00 0.00 C ATOM 767 CG PRO A 49 13.522 8.821 -15.591 1.00 0.00 C ATOM 768 CD PRO A 49 13.672 7.857 -16.757 1.00 0.00 C ATOM 0 HA PRO A 49 10.460 8.769 -16.969 1.00 0.00 H new ATOM 0 HB2 PRO A 49 11.871 10.064 -15.000 1.00 0.00 H new ATOM 0 HB3 PRO A 49 11.575 8.347 -14.813 1.00 0.00 H new ATOM 0 HG2 PRO A 49 14.069 9.745 -15.778 1.00 0.00 H new ATOM 0 HG3 PRO A 49 13.928 8.390 -14.676 1.00 0.00 H new ATOM 0 HD2 PRO A 49 14.537 8.107 -17.371 1.00 0.00 H new ATOM 0 HD3 PRO A 49 13.813 6.833 -16.411 1.00 0.00 H new ATOM 776 N GLU A 50 10.854 11.366 -17.098 1.00 0.00 N ATOM 777 CA GLU A 50 10.793 12.731 -17.656 1.00 0.00 C ATOM 778 C GLU A 50 11.730 13.695 -16.897 1.00 0.00 C ATOM 779 O GLU A 50 11.625 14.916 -17.081 1.00 0.00 O ATOM 780 CB GLU A 50 9.328 13.249 -17.590 1.00 0.00 C ATOM 781 CG GLU A 50 8.286 12.317 -18.240 1.00 0.00 C ATOM 782 CD GLU A 50 8.552 12.047 -19.731 1.00 0.00 C ATOM 783 OE1 GLU A 50 8.229 12.916 -20.565 1.00 0.00 O ATOM 784 OE2 GLU A 50 9.067 10.962 -20.075 1.00 0.00 O ATOM 0 H GLU A 50 10.255 11.232 -16.284 1.00 0.00 H new ATOM 0 HA GLU A 50 11.127 12.694 -18.693 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.058 13.402 -16.545 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.279 14.223 -18.077 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.273 11.368 -17.703 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.296 12.759 -18.130 1.00 0.00 H new ATOM 791 N CYS A 51 12.652 13.134 -16.061 1.00 0.00 N ATOM 792 CA CYS A 51 13.528 13.914 -15.158 1.00 0.00 C ATOM 793 C CYS A 51 12.646 14.819 -14.273 1.00 0.00 C ATOM 794 O CYS A 51 12.636 16.043 -14.426 1.00 0.00 O ATOM 795 CB CYS A 51 14.585 14.726 -15.963 1.00 0.00 C ATOM 796 SG CYS A 51 15.445 13.759 -17.227 1.00 0.00 S ATOM 0 H CYS A 51 12.803 12.127 -16.000 1.00 0.00 H new ATOM 0 HA CYS A 51 14.092 13.238 -14.515 1.00 0.00 H new ATOM 0 HB2 CYS A 51 14.092 15.573 -16.440 1.00 0.00 H new ATOM 0 HB3 CYS A 51 15.320 15.135 -15.270 1.00 0.00 H new ATOM 0 HG CYS A 51 16.301 14.517 -17.845 1.00 0.00 H new ATOM 802 N LEU A 52 11.856 14.171 -13.401 1.00 0.00 N ATOM 803 CA LEU A 52 10.723 14.806 -12.699 1.00 0.00 C ATOM 804 C LEU A 52 11.169 15.908 -11.715 1.00 0.00 C ATOM 805 O LEU A 52 12.068 15.698 -10.892 1.00 0.00 O ATOM 806 CB LEU A 52 9.892 13.712 -11.985 1.00 0.00 C ATOM 807 CG LEU A 52 9.228 12.653 -12.929 1.00 0.00 C ATOM 808 CD1 LEU A 52 8.527 11.542 -12.127 1.00 0.00 C ATOM 809 CD2 LEU A 52 8.250 13.326 -13.925 1.00 0.00 C ATOM 0 H LEU A 52 11.984 13.188 -13.161 1.00 0.00 H new ATOM 0 HA LEU A 52 10.104 15.309 -13.442 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.539 13.191 -11.279 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.109 14.196 -11.402 1.00 0.00 H new ATOM 0 HG LEU A 52 10.025 12.186 -13.507 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.078 10.825 -12.814 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.256 11.033 -11.497 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.750 11.980 -11.501 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.805 12.566 -14.567 1.00 0.00 H new ATOM 0 HD22 LEU A 52 7.464 13.840 -13.372 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.793 14.046 -14.538 1.00 0.00 H new ATOM 821 N ASP A 53 10.532 17.090 -11.846 1.00 0.00 N ATOM 822 CA ASP A 53 10.808 18.281 -11.026 1.00 0.00 C ATOM 823 C ASP A 53 9.689 18.439 -9.993 1.00 0.00 C ATOM 824 O ASP A 53 8.649 19.054 -10.276 1.00 0.00 O ATOM 825 CB ASP A 53 10.889 19.556 -11.917 1.00 0.00 C ATOM 826 CG ASP A 53 12.007 19.492 -12.967 1.00 0.00 C ATOM 827 OD1 ASP A 53 11.824 18.831 -14.006 1.00 0.00 O ATOM 828 OD2 ASP A 53 13.081 20.094 -12.758 1.00 0.00 O ATOM 0 H ASP A 53 9.799 17.243 -12.538 1.00 0.00 H new ATOM 0 HA ASP A 53 11.767 18.156 -10.523 1.00 0.00 H new ATOM 0 HB2 ASP A 53 9.934 19.700 -12.422 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.047 20.426 -11.280 1.00 0.00 H new ATOM 833 N LEU A 54 9.880 17.825 -8.820 1.00 0.00 N ATOM 834 CA LEU A 54 8.925 17.908 -7.704 1.00 0.00 C ATOM 835 C LEU A 54 9.247 19.150 -6.850 1.00 0.00 C ATOM 836 O LEU A 54 10.249 19.173 -6.122 1.00 0.00 O ATOM 837 CB LEU A 54 8.940 16.605 -6.846 1.00 0.00 C ATOM 838 CG LEU A 54 8.183 15.363 -7.426 1.00 0.00 C ATOM 839 CD1 LEU A 54 8.877 14.798 -8.680 1.00 0.00 C ATOM 840 CD2 LEU A 54 7.973 14.289 -6.328 1.00 0.00 C ATOM 0 H LEU A 54 10.701 17.256 -8.615 1.00 0.00 H new ATOM 0 HA LEU A 54 7.917 18.008 -8.105 1.00 0.00 H new ATOM 0 HB2 LEU A 54 9.979 16.321 -6.680 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.513 16.837 -5.870 1.00 0.00 H new ATOM 0 HG LEU A 54 7.197 15.692 -7.753 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.318 13.938 -9.049 1.00 0.00 H new ATOM 0 HD12 LEU A 54 8.913 15.566 -9.453 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.892 14.490 -8.427 1.00 0.00 H new ATOM 0 HD21 LEU A 54 7.445 13.434 -6.751 1.00 0.00 H new ATOM 0 HD22 LEU A 54 8.941 13.965 -5.946 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.385 14.712 -5.514 1.00 0.00 H new ATOM 852 N SER A 55 8.411 20.193 -6.999 1.00 0.00 N ATOM 853 CA SER A 55 8.532 21.451 -6.239 1.00 0.00 C ATOM 854 C SER A 55 7.520 21.480 -5.074 1.00 0.00 C ATOM 855 O SER A 55 7.902 21.723 -3.919 1.00 0.00 O ATOM 856 CB SER A 55 8.319 22.657 -7.188 1.00 0.00 C ATOM 857 OG SER A 55 8.395 23.895 -6.497 1.00 0.00 O ATOM 0 H SER A 55 7.628 20.187 -7.653 1.00 0.00 H new ATOM 0 HA SER A 55 9.533 21.515 -5.812 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.071 22.635 -7.977 1.00 0.00 H new ATOM 0 HB3 SER A 55 7.346 22.571 -7.672 1.00 0.00 H new ATOM 0 HG SER A 55 8.257 24.631 -7.129 1.00 0.00 H new ATOM 863 N ASP A 56 6.232 21.224 -5.389 1.00 0.00 N ATOM 864 CA ASP A 56 5.133 21.273 -4.400 1.00 0.00 C ATOM 865 C ASP A 56 5.205 20.086 -3.425 1.00 0.00 C ATOM 866 O ASP A 56 4.991 18.954 -3.816 1.00 0.00 O ATOM 867 CB ASP A 56 3.745 21.293 -5.110 1.00 0.00 C ATOM 868 CG ASP A 56 2.533 21.214 -4.143 1.00 0.00 C ATOM 869 OD1 ASP A 56 2.572 21.836 -3.055 1.00 0.00 O ATOM 870 OD2 ASP A 56 1.545 20.524 -4.458 1.00 0.00 O ATOM 0 H ASP A 56 5.926 20.979 -6.331 1.00 0.00 H new ATOM 0 HA ASP A 56 5.250 22.195 -3.830 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.665 22.206 -5.701 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.694 20.457 -5.807 1.00 0.00 H new ATOM 875 N ARG A 57 5.513 20.380 -2.157 1.00 0.00 N ATOM 876 CA ARG A 57 5.535 19.393 -1.045 1.00 0.00 C ATOM 877 C ARG A 57 4.214 18.579 -0.909 1.00 0.00 C ATOM 878 O ARG A 57 4.226 17.447 -0.404 1.00 0.00 O ATOM 879 CB ARG A 57 5.859 20.089 0.307 1.00 0.00 C ATOM 880 CG ARG A 57 4.828 21.155 0.793 1.00 0.00 C ATOM 881 CD ARG A 57 4.990 22.523 0.104 1.00 0.00 C ATOM 882 NE ARG A 57 3.968 23.493 0.528 1.00 0.00 N ATOM 883 CZ ARG A 57 4.102 24.828 0.473 1.00 0.00 C ATOM 884 NH1 ARG A 57 5.259 25.389 0.139 1.00 0.00 N ATOM 885 NH2 ARG A 57 3.077 25.597 0.788 1.00 0.00 N ATOM 0 H ARG A 57 5.760 21.324 -1.858 1.00 0.00 H new ATOM 0 HA ARG A 57 6.323 18.684 -1.297 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.948 19.321 1.076 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.834 20.568 0.221 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.820 20.783 0.612 1.00 0.00 H new ATOM 0 HG3 ARG A 57 4.932 21.285 1.870 1.00 0.00 H new ATOM 0 HD2 ARG A 57 5.980 22.923 0.326 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.934 22.391 -0.977 1.00 0.00 H new ATOM 0 HE ARG A 57 3.090 23.123 0.892 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.065 24.804 -0.081 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.341 26.405 0.103 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.192 25.176 1.071 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.170 26.612 0.749 1.00 0.00 H new ATOM 899 N ASP A 58 3.092 19.151 -1.372 1.00 0.00 N ATOM 900 CA ASP A 58 1.742 18.572 -1.184 1.00 0.00 C ATOM 901 C ASP A 58 1.322 17.664 -2.378 1.00 0.00 C ATOM 902 O ASP A 58 0.256 17.031 -2.333 1.00 0.00 O ATOM 903 CB ASP A 58 0.732 19.738 -0.962 1.00 0.00 C ATOM 904 CG ASP A 58 -0.650 19.288 -0.445 1.00 0.00 C ATOM 905 OD1 ASP A 58 -0.790 19.060 0.776 1.00 0.00 O ATOM 906 OD2 ASP A 58 -1.600 19.161 -1.251 1.00 0.00 O ATOM 0 H ASP A 58 3.089 20.030 -1.889 1.00 0.00 H new ATOM 0 HA ASP A 58 1.749 17.923 -0.308 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.161 20.445 -0.251 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.599 20.273 -1.903 1.00 0.00 H new ATOM 911 N ILE A 59 2.179 17.567 -3.422 1.00 0.00 N ATOM 912 CA ILE A 59 1.854 16.815 -4.660 1.00 0.00 C ATOM 913 C ILE A 59 1.870 15.285 -4.397 1.00 0.00 C ATOM 914 O ILE A 59 2.848 14.749 -3.867 1.00 0.00 O ATOM 915 CB ILE A 59 2.812 17.224 -5.856 1.00 0.00 C ATOM 916 CG1 ILE A 59 2.224 16.780 -7.233 1.00 0.00 C ATOM 917 CG2 ILE A 59 4.263 16.684 -5.691 1.00 0.00 C ATOM 918 CD1 ILE A 59 2.974 17.325 -8.437 1.00 0.00 C ATOM 0 H ILE A 59 3.102 18.000 -3.432 1.00 0.00 H new ATOM 0 HA ILE A 59 0.842 17.083 -4.963 1.00 0.00 H new ATOM 0 HB ILE A 59 2.871 18.312 -5.830 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.225 15.691 -7.281 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.184 17.101 -7.291 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.867 16.999 -6.542 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.696 17.080 -4.772 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.243 15.595 -5.643 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.501 16.969 -9.352 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.952 18.415 -8.417 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.008 16.983 -8.407 1.00 0.00 H new ATOM 930 N THR A 60 0.758 14.602 -4.730 1.00 0.00 N ATOM 931 CA THR A 60 0.568 13.164 -4.440 1.00 0.00 C ATOM 932 C THR A 60 1.086 12.265 -5.577 1.00 0.00 C ATOM 933 O THR A 60 1.495 12.740 -6.648 1.00 0.00 O ATOM 934 CB THR A 60 -0.941 12.832 -4.171 1.00 0.00 C ATOM 935 OG1 THR A 60 -1.748 13.267 -5.279 1.00 0.00 O ATOM 936 CG2 THR A 60 -1.453 13.470 -2.869 1.00 0.00 C ATOM 0 H THR A 60 -0.035 15.030 -5.208 1.00 0.00 H new ATOM 0 HA THR A 60 1.152 12.957 -3.543 1.00 0.00 H new ATOM 0 HB THR A 60 -1.020 11.751 -4.060 1.00 0.00 H new ATOM 0 HG1 THR A 60 -2.688 13.054 -5.103 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.502 13.212 -2.726 1.00 0.00 H new ATOM 0 HG22 THR A 60 -0.869 13.097 -2.027 1.00 0.00 H new ATOM 0 HG23 THR A 60 -1.351 14.553 -2.930 1.00 0.00 H new ATOM 944 N LEU A 61 1.014 10.940 -5.327 1.00 0.00 N ATOM 945 CA LEU A 61 1.367 9.892 -6.307 1.00 0.00 C ATOM 946 C LEU A 61 0.281 9.776 -7.404 1.00 0.00 C ATOM 947 O LEU A 61 0.447 9.035 -8.371 1.00 0.00 O ATOM 948 CB LEU A 61 1.540 8.529 -5.593 1.00 0.00 C ATOM 949 CG LEU A 61 2.397 8.540 -4.291 1.00 0.00 C ATOM 950 CD1 LEU A 61 2.499 7.131 -3.687 1.00 0.00 C ATOM 951 CD2 LEU A 61 3.792 9.177 -4.514 1.00 0.00 C ATOM 0 H LEU A 61 0.706 10.565 -4.430 1.00 0.00 H new ATOM 0 HA LEU A 61 2.309 10.171 -6.779 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.551 8.142 -5.349 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.992 7.829 -6.295 1.00 0.00 H new ATOM 0 HG LEU A 61 1.883 9.173 -3.568 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.102 7.167 -2.780 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.501 6.766 -3.445 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.966 6.459 -4.407 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.352 9.162 -3.579 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.334 8.610 -5.271 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.672 10.207 -4.849 1.00 0.00 H new ATOM 963 N GLY A 62 -0.841 10.500 -7.212 1.00 0.00 N ATOM 964 CA GLY A 62 -1.885 10.629 -8.233 1.00 0.00 C ATOM 965 C GLY A 62 -1.419 11.436 -9.443 1.00 0.00 C ATOM 966 O GLY A 62 -2.020 11.355 -10.520 1.00 0.00 O ATOM 0 H GLY A 62 -1.042 11.006 -6.349 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.195 9.636 -8.559 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.760 11.108 -7.795 1.00 0.00 H new ATOM 970 N ASP A 63 -0.340 12.227 -9.257 1.00 0.00 N ATOM 971 CA ASP A 63 0.293 13.001 -10.337 1.00 0.00 C ATOM 972 C ASP A 63 1.558 12.277 -10.853 1.00 0.00 C ATOM 973 O ASP A 63 1.710 12.063 -12.060 1.00 0.00 O ATOM 974 CB ASP A 63 0.636 14.425 -9.833 1.00 0.00 C ATOM 975 CG ASP A 63 1.171 15.346 -10.949 1.00 0.00 C ATOM 976 OD1 ASP A 63 0.357 16.019 -11.618 1.00 0.00 O ATOM 977 OD2 ASP A 63 2.402 15.400 -11.164 1.00 0.00 O ATOM 0 H ASP A 63 0.114 12.344 -8.351 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.406 13.087 -11.169 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.255 14.874 -9.395 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.380 14.354 -9.040 1.00 0.00 H new ATOM 982 N LEU A 64 2.466 11.911 -9.926 1.00 0.00 N ATOM 983 CA LEU A 64 3.760 11.265 -10.265 1.00 0.00 C ATOM 984 C LEU A 64 3.588 9.731 -10.457 1.00 0.00 C ATOM 985 O LEU A 64 2.745 9.127 -9.793 1.00 0.00 O ATOM 986 CB LEU A 64 4.844 11.564 -9.186 1.00 0.00 C ATOM 987 CG LEU A 64 5.271 13.059 -8.990 1.00 0.00 C ATOM 988 CD1 LEU A 64 5.529 13.771 -10.342 1.00 0.00 C ATOM 989 CD2 LEU A 64 4.267 13.825 -8.109 1.00 0.00 C ATOM 0 H LEU A 64 2.329 12.052 -8.925 1.00 0.00 H new ATOM 0 HA LEU A 64 4.099 11.691 -11.209 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.480 11.189 -8.229 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.736 10.989 -9.435 1.00 0.00 H new ATOM 0 HG LEU A 64 6.222 13.055 -8.457 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.822 14.805 -10.159 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.327 13.257 -10.878 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.619 13.753 -10.942 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.596 14.858 -7.996 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.283 13.807 -8.579 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.209 13.353 -7.128 1.00 0.00 H new ATOM 1001 N PRO A 65 4.399 9.068 -11.361 1.00 0.00 N ATOM 1002 CA PRO A 65 4.246 7.626 -11.711 1.00 0.00 C ATOM 1003 C PRO A 65 4.815 6.632 -10.659 1.00 0.00 C ATOM 1004 O PRO A 65 5.244 5.537 -11.032 1.00 0.00 O ATOM 1005 CB PRO A 65 5.007 7.503 -13.083 1.00 0.00 C ATOM 1006 CG PRO A 65 5.424 8.901 -13.445 1.00 0.00 C ATOM 1007 CD PRO A 65 5.504 9.658 -12.143 1.00 0.00 C ATOM 0 HA PRO A 65 3.192 7.350 -11.754 1.00 0.00 H new ATOM 0 HB2 PRO A 65 5.873 6.847 -12.993 1.00 0.00 H new ATOM 0 HB3 PRO A 65 4.362 7.076 -13.851 1.00 0.00 H new ATOM 0 HG2 PRO A 65 6.386 8.901 -13.957 1.00 0.00 H new ATOM 0 HG3 PRO A 65 4.703 9.361 -14.121 1.00 0.00 H new ATOM 0 HD2 PRO A 65 6.467 9.520 -11.652 1.00 0.00 H new ATOM 0 HD3 PRO A 65 5.371 10.730 -12.288 1.00 0.00 H new ATOM 1015 N ILE A 66 4.787 6.988 -9.355 1.00 0.00 N ATOM 1016 CA ILE A 66 5.079 6.015 -8.277 1.00 0.00 C ATOM 1017 C ILE A 66 3.900 5.040 -8.232 1.00 0.00 C ATOM 1018 O ILE A 66 2.766 5.474 -8.045 1.00 0.00 O ATOM 1019 CB ILE A 66 5.257 6.652 -6.835 1.00 0.00 C ATOM 1020 CG1 ILE A 66 6.513 7.590 -6.743 1.00 0.00 C ATOM 1021 CG2 ILE A 66 5.304 5.553 -5.729 1.00 0.00 C ATOM 1022 CD1 ILE A 66 6.340 8.955 -7.375 1.00 0.00 C ATOM 0 H ILE A 66 4.568 7.928 -9.026 1.00 0.00 H new ATOM 0 HA ILE A 66 6.034 5.545 -8.512 1.00 0.00 H new ATOM 0 HB ILE A 66 4.379 7.274 -6.662 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.772 7.723 -5.693 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.357 7.090 -7.219 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.427 6.024 -4.753 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.375 4.983 -5.743 1.00 0.00 H new ATOM 0 HG23 ILE A 66 6.143 4.883 -5.917 1.00 0.00 H new ATOM 0 HD11 ILE A 66 7.260 9.528 -7.260 1.00 0.00 H new ATOM 0 HD12 ILE A 66 6.114 8.839 -8.435 1.00 0.00 H new ATOM 0 HD13 ILE A 66 5.521 9.482 -6.885 1.00 0.00 H new ATOM 1034 N GLN A 67 4.160 3.755 -8.491 1.00 0.00 N ATOM 1035 CA GLN A 67 3.141 2.696 -8.392 1.00 0.00 C ATOM 1036 C GLN A 67 3.585 1.646 -7.361 1.00 0.00 C ATOM 1037 O GLN A 67 4.762 1.604 -6.968 1.00 0.00 O ATOM 1038 CB GLN A 67 2.874 2.080 -9.796 1.00 0.00 C ATOM 1039 CG GLN A 67 2.488 3.135 -10.862 1.00 0.00 C ATOM 1040 CD GLN A 67 1.954 2.530 -12.159 1.00 0.00 C ATOM 1041 OE1 GLN A 67 2.708 2.248 -13.088 1.00 0.00 O ATOM 1042 NE2 GLN A 67 0.650 2.311 -12.227 1.00 0.00 N ATOM 0 H GLN A 67 5.079 3.416 -8.775 1.00 0.00 H new ATOM 0 HA GLN A 67 2.197 3.116 -8.044 1.00 0.00 H new ATOM 0 HB2 GLN A 67 3.765 1.547 -10.127 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.074 1.344 -9.716 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.733 3.801 -10.444 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.362 3.746 -11.089 1.00 0.00 H new ATOM 0 HE21 GLN A 67 0.050 2.556 -11.439 1.00 0.00 H new ATOM 0 HE22 GLN A 67 0.245 1.897 -13.067 1.00 0.00 H new ATOM 1051 N SER A 68 2.632 0.816 -6.907 1.00 0.00 N ATOM 1052 CA SER A 68 2.890 -0.214 -5.887 1.00 0.00 C ATOM 1053 C SER A 68 3.743 -1.351 -6.483 1.00 0.00 C ATOM 1054 O SER A 68 3.255 -2.116 -7.321 1.00 0.00 O ATOM 1055 CB SER A 68 1.556 -0.769 -5.334 1.00 0.00 C ATOM 1056 OG SER A 68 1.785 -1.638 -4.236 1.00 0.00 O ATOM 0 H SER A 68 1.666 0.839 -7.234 1.00 0.00 H new ATOM 0 HA SER A 68 3.442 0.239 -5.063 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.916 0.056 -5.022 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.026 -1.304 -6.122 1.00 0.00 H new ATOM 0 HG SER A 68 0.928 -1.975 -3.902 1.00 0.00 H new ATOM 1062 N GLY A 69 5.021 -1.424 -6.062 1.00 0.00 N ATOM 1063 CA GLY A 69 5.971 -2.427 -6.567 1.00 0.00 C ATOM 1064 C GLY A 69 6.839 -1.911 -7.706 1.00 0.00 C ATOM 1065 O GLY A 69 7.690 -2.649 -8.214 1.00 0.00 O ATOM 0 H GLY A 69 5.419 -0.793 -5.367 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.613 -2.754 -5.749 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.418 -3.302 -6.908 1.00 0.00 H new ATOM 1069 N ASP A 70 6.635 -0.636 -8.094 1.00 0.00 N ATOM 1070 CA ASP A 70 7.381 0.003 -9.199 1.00 0.00 C ATOM 1071 C ASP A 70 8.826 0.309 -8.769 1.00 0.00 C ATOM 1072 O ASP A 70 9.122 0.455 -7.572 1.00 0.00 O ATOM 1073 CB ASP A 70 6.656 1.299 -9.673 1.00 0.00 C ATOM 1074 CG ASP A 70 7.306 1.982 -10.896 1.00 0.00 C ATOM 1075 OD1 ASP A 70 7.505 1.301 -11.928 1.00 0.00 O ATOM 1076 OD2 ASP A 70 7.634 3.185 -10.833 1.00 0.00 O ATOM 0 H ASP A 70 5.951 -0.021 -7.652 1.00 0.00 H new ATOM 0 HA ASP A 70 7.416 -0.692 -10.038 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.622 1.054 -9.916 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.630 2.009 -8.847 1.00 0.00 H new ATOM 1081 N MET A 71 9.698 0.419 -9.775 1.00 0.00 N ATOM 1082 CA MET A 71 11.134 0.637 -9.606 1.00 0.00 C ATOM 1083 C MET A 71 11.419 2.147 -9.641 1.00 0.00 C ATOM 1084 O MET A 71 11.365 2.769 -10.702 1.00 0.00 O ATOM 1085 CB MET A 71 11.928 -0.098 -10.726 1.00 0.00 C ATOM 1086 CG MET A 71 13.468 -0.001 -10.643 1.00 0.00 C ATOM 1087 SD MET A 71 14.207 -1.019 -9.336 1.00 0.00 S ATOM 1088 CE MET A 71 14.117 0.050 -7.901 1.00 0.00 C ATOM 0 H MET A 71 9.416 0.357 -10.753 1.00 0.00 H new ATOM 0 HA MET A 71 11.455 0.233 -8.646 1.00 0.00 H new ATOM 0 HB2 MET A 71 11.649 -1.152 -10.709 1.00 0.00 H new ATOM 0 HB3 MET A 71 11.611 0.300 -11.690 1.00 0.00 H new ATOM 0 HG2 MET A 71 13.892 -0.297 -11.602 1.00 0.00 H new ATOM 0 HG3 MET A 71 13.747 1.040 -10.479 1.00 0.00 H new ATOM 0 HE1 MET A 71 15.009 -0.087 -7.289 1.00 0.00 H new ATOM 0 HE2 MET A 71 14.055 1.089 -8.225 1.00 0.00 H new ATOM 0 HE3 MET A 71 13.233 -0.201 -7.315 1.00 0.00 H new ATOM 1098 N LEU A 72 11.679 2.724 -8.463 1.00 0.00 N ATOM 1099 CA LEU A 72 12.009 4.153 -8.302 1.00 0.00 C ATOM 1100 C LEU A 72 13.515 4.294 -8.029 1.00 0.00 C ATOM 1101 O LEU A 72 14.009 3.810 -7.013 1.00 0.00 O ATOM 1102 CB LEU A 72 11.164 4.810 -7.153 1.00 0.00 C ATOM 1103 CG LEU A 72 9.687 5.218 -7.499 1.00 0.00 C ATOM 1104 CD1 LEU A 72 9.650 6.246 -8.648 1.00 0.00 C ATOM 1105 CD2 LEU A 72 8.801 4.000 -7.821 1.00 0.00 C ATOM 0 H LEU A 72 11.667 2.210 -7.582 1.00 0.00 H new ATOM 0 HA LEU A 72 11.758 4.680 -9.222 1.00 0.00 H new ATOM 0 HB2 LEU A 72 11.136 4.116 -6.313 1.00 0.00 H new ATOM 0 HB3 LEU A 72 11.691 5.701 -6.812 1.00 0.00 H new ATOM 0 HG LEU A 72 9.272 5.685 -6.606 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.615 6.510 -8.866 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.199 7.141 -8.354 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.110 5.815 -9.537 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.791 4.336 -8.053 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.212 3.467 -8.679 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.772 3.333 -6.959 1.00 0.00 H new ATOM 1117 N ILE A 73 14.235 4.947 -8.962 1.00 0.00 N ATOM 1118 CA ILE A 73 15.676 5.191 -8.852 1.00 0.00 C ATOM 1119 C ILE A 73 15.894 6.494 -8.066 1.00 0.00 C ATOM 1120 O ILE A 73 15.697 7.603 -8.589 1.00 0.00 O ATOM 1121 CB ILE A 73 16.416 5.274 -10.256 1.00 0.00 C ATOM 1122 CG1 ILE A 73 16.323 3.928 -11.065 1.00 0.00 C ATOM 1123 CG2 ILE A 73 17.908 5.684 -10.074 1.00 0.00 C ATOM 1124 CD1 ILE A 73 14.946 3.554 -11.596 1.00 0.00 C ATOM 0 H ILE A 73 13.824 5.321 -9.818 1.00 0.00 H new ATOM 0 HA ILE A 73 16.113 4.338 -8.332 1.00 0.00 H new ATOM 0 HB ILE A 73 15.901 6.041 -10.834 1.00 0.00 H new ATOM 0 HG12 ILE A 73 17.010 3.988 -11.909 1.00 0.00 H new ATOM 0 HG13 ILE A 73 16.674 3.119 -10.425 1.00 0.00 H new ATOM 0 HG21 ILE A 73 18.393 5.734 -11.049 1.00 0.00 H new ATOM 0 HG22 ILE A 73 17.961 6.660 -9.592 1.00 0.00 H new ATOM 0 HG23 ILE A 73 18.415 4.945 -9.454 1.00 0.00 H new ATOM 0 HD11 ILE A 73 15.008 2.609 -12.135 1.00 0.00 H new ATOM 0 HD12 ILE A 73 14.250 3.451 -10.763 1.00 0.00 H new ATOM 0 HD13 ILE A 73 14.592 4.334 -12.270 1.00 0.00 H new ATOM 1136 N VAL A 74 16.223 6.322 -6.786 1.00 0.00 N ATOM 1137 CA VAL A 74 16.742 7.384 -5.931 1.00 0.00 C ATOM 1138 C VAL A 74 18.228 7.594 -6.258 1.00 0.00 C ATOM 1139 O VAL A 74 19.082 6.765 -5.922 1.00 0.00 O ATOM 1140 CB VAL A 74 16.547 7.034 -4.409 1.00 0.00 C ATOM 1141 CG1 VAL A 74 17.238 8.059 -3.472 1.00 0.00 C ATOM 1142 CG2 VAL A 74 15.043 6.900 -4.085 1.00 0.00 C ATOM 0 H VAL A 74 16.134 5.425 -6.308 1.00 0.00 H new ATOM 0 HA VAL A 74 16.190 8.305 -6.121 1.00 0.00 H new ATOM 0 HB VAL A 74 17.034 6.076 -4.225 1.00 0.00 H new ATOM 0 HG11 VAL A 74 17.073 7.772 -2.434 1.00 0.00 H new ATOM 0 HG12 VAL A 74 18.308 8.077 -3.678 1.00 0.00 H new ATOM 0 HG13 VAL A 74 16.819 9.050 -3.645 1.00 0.00 H new ATOM 0 HG21 VAL A 74 14.918 6.658 -3.030 1.00 0.00 H new ATOM 0 HG22 VAL A 74 14.539 7.841 -4.303 1.00 0.00 H new ATOM 0 HG23 VAL A 74 14.609 6.106 -4.693 1.00 0.00 H new ATOM 1152 N GLU A 75 18.501 8.681 -6.963 1.00 0.00 N ATOM 1153 CA GLU A 75 19.864 9.113 -7.286 1.00 0.00 C ATOM 1154 C GLU A 75 20.505 9.781 -6.057 1.00 0.00 C ATOM 1155 O GLU A 75 19.804 10.175 -5.115 1.00 0.00 O ATOM 1156 CB GLU A 75 19.825 10.108 -8.477 1.00 0.00 C ATOM 1157 CG GLU A 75 18.956 11.362 -8.213 1.00 0.00 C ATOM 1158 CD GLU A 75 19.057 12.418 -9.313 1.00 0.00 C ATOM 1159 OE1 GLU A 75 19.953 13.281 -9.229 1.00 0.00 O ATOM 1160 OE2 GLU A 75 18.250 12.387 -10.268 1.00 0.00 O ATOM 0 H GLU A 75 17.779 9.299 -7.334 1.00 0.00 H new ATOM 0 HA GLU A 75 20.462 8.246 -7.566 1.00 0.00 H new ATOM 0 HB2 GLU A 75 20.842 10.424 -8.708 1.00 0.00 H new ATOM 0 HB3 GLU A 75 19.444 9.592 -9.358 1.00 0.00 H new ATOM 0 HG2 GLU A 75 17.915 11.057 -8.108 1.00 0.00 H new ATOM 0 HG3 GLU A 75 19.255 11.808 -7.264 1.00 0.00 H new ATOM 1167 N GLU A 76 21.835 9.882 -6.066 1.00 0.00 N ATOM 1168 CA GLU A 76 22.583 10.681 -5.093 1.00 0.00 C ATOM 1169 C GLU A 76 23.301 11.806 -5.850 1.00 0.00 C ATOM 1170 O GLU A 76 24.228 11.551 -6.623 1.00 0.00 O ATOM 1171 CB GLU A 76 23.584 9.804 -4.307 1.00 0.00 C ATOM 1172 CG GLU A 76 24.331 10.560 -3.188 1.00 0.00 C ATOM 1173 CD GLU A 76 25.395 9.704 -2.490 1.00 0.00 C ATOM 1174 OE1 GLU A 76 26.432 9.393 -3.118 1.00 0.00 O ATOM 1175 OE2 GLU A 76 25.203 9.322 -1.318 1.00 0.00 O ATOM 0 H GLU A 76 22.426 9.410 -6.751 1.00 0.00 H new ATOM 0 HA GLU A 76 21.900 11.110 -4.360 1.00 0.00 H new ATOM 0 HB2 GLU A 76 23.048 8.962 -3.869 1.00 0.00 H new ATOM 0 HB3 GLU A 76 24.314 9.390 -5.003 1.00 0.00 H new ATOM 0 HG2 GLU A 76 24.806 11.446 -3.610 1.00 0.00 H new ATOM 0 HG3 GLU A 76 23.610 10.907 -2.448 1.00 0.00 H new ATOM 1182 N ASP A 77 22.823 13.043 -5.651 1.00 0.00 N ATOM 1183 CA ASP A 77 23.381 14.259 -6.277 1.00 0.00 C ATOM 1184 C ASP A 77 24.661 14.720 -5.543 1.00 0.00 C ATOM 1185 O ASP A 77 25.439 15.512 -6.082 1.00 0.00 O ATOM 1186 CB ASP A 77 22.296 15.370 -6.296 1.00 0.00 C ATOM 1187 CG ASP A 77 22.767 16.708 -6.904 1.00 0.00 C ATOM 1188 OD1 ASP A 77 23.205 16.716 -8.071 1.00 0.00 O ATOM 1189 OD2 ASP A 77 22.702 17.755 -6.226 1.00 0.00 O ATOM 0 H ASP A 77 22.027 13.234 -5.043 1.00 0.00 H new ATOM 0 HA ASP A 77 23.669 14.038 -7.305 1.00 0.00 H new ATOM 0 HB2 ASP A 77 21.435 15.011 -6.860 1.00 0.00 H new ATOM 0 HB3 ASP A 77 21.957 15.548 -5.275 1.00 0.00 H new ATOM 1194 N GLN A 78 24.851 14.212 -4.295 1.00 0.00 N ATOM 1195 CA GLN A 78 26.090 14.395 -3.489 1.00 0.00 C ATOM 1196 C GLN A 78 26.328 15.862 -3.059 1.00 0.00 C ATOM 1197 O GLN A 78 27.407 16.190 -2.565 1.00 0.00 O ATOM 1198 CB GLN A 78 27.336 13.829 -4.250 1.00 0.00 C ATOM 1199 CG GLN A 78 27.209 12.354 -4.668 1.00 0.00 C ATOM 1200 CD GLN A 78 28.402 11.835 -5.465 1.00 0.00 C ATOM 1201 OE1 GLN A 78 28.432 11.915 -6.694 1.00 0.00 O ATOM 1202 NE2 GLN A 78 29.406 11.317 -4.773 1.00 0.00 N ATOM 0 H GLN A 78 24.141 13.658 -3.815 1.00 0.00 H new ATOM 0 HA GLN A 78 25.946 13.826 -2.570 1.00 0.00 H new ATOM 0 HB2 GLN A 78 27.508 14.433 -5.141 1.00 0.00 H new ATOM 0 HB3 GLN A 78 28.215 13.940 -3.615 1.00 0.00 H new ATOM 0 HG2 GLN A 78 27.087 11.742 -3.774 1.00 0.00 H new ATOM 0 HG3 GLN A 78 26.305 12.232 -5.264 1.00 0.00 H new ATOM 0 HE21 GLN A 78 29.351 11.265 -3.756 1.00 0.00 H new ATOM 0 HE22 GLN A 78 30.234 10.970 -5.257 1.00 0.00 H new ATOM 1211 N THR A 79 25.302 16.727 -3.203 1.00 0.00 N ATOM 1212 CA THR A 79 25.398 18.153 -2.834 1.00 0.00 C ATOM 1213 C THR A 79 25.402 18.340 -1.293 1.00 0.00 C ATOM 1214 O THR A 79 25.843 19.384 -0.801 1.00 0.00 O ATOM 1215 CB THR A 79 24.230 18.986 -3.471 1.00 0.00 C ATOM 1216 OG1 THR A 79 24.451 20.391 -3.266 1.00 0.00 O ATOM 1217 CG2 THR A 79 22.851 18.605 -2.907 1.00 0.00 C ATOM 0 H THR A 79 24.391 16.458 -3.575 1.00 0.00 H new ATOM 0 HA THR A 79 26.344 18.522 -3.229 1.00 0.00 H new ATOM 0 HB THR A 79 24.229 18.754 -4.536 1.00 0.00 H new ATOM 0 HG1 THR A 79 23.717 20.900 -3.669 1.00 0.00 H new ATOM 0 HG21 THR A 79 22.082 19.213 -3.384 1.00 0.00 H new ATOM 0 HG22 THR A 79 22.655 17.551 -3.105 1.00 0.00 H new ATOM 0 HG23 THR A 79 22.837 18.780 -1.831 1.00 0.00 H new ATOM 1225 N ARG A 80 24.917 17.292 -0.556 1.00 0.00 N ATOM 1226 CA ARG A 80 24.744 17.272 0.924 1.00 0.00 C ATOM 1227 C ARG A 80 24.110 18.599 1.446 1.00 0.00 C ATOM 1228 O ARG A 80 24.798 19.476 1.973 1.00 0.00 O ATOM 1229 CB ARG A 80 26.062 16.840 1.668 1.00 0.00 C ATOM 1230 CG ARG A 80 27.306 17.756 1.497 1.00 0.00 C ATOM 1231 CD ARG A 80 28.597 17.137 2.054 1.00 0.00 C ATOM 1232 NE ARG A 80 28.470 16.716 3.466 1.00 0.00 N ATOM 1233 CZ ARG A 80 29.160 15.711 4.034 1.00 0.00 C ATOM 1234 NH1 ARG A 80 30.014 14.992 3.327 1.00 0.00 N ATOM 1235 NH2 ARG A 80 28.979 15.416 5.305 1.00 0.00 N ATOM 0 H ARG A 80 24.629 16.416 -0.993 1.00 0.00 H new ATOM 0 HA ARG A 80 24.021 16.494 1.170 1.00 0.00 H new ATOM 0 HB2 ARG A 80 25.840 16.766 2.733 1.00 0.00 H new ATOM 0 HB3 ARG A 80 26.330 15.840 1.328 1.00 0.00 H new ATOM 0 HG2 ARG A 80 27.444 17.976 0.438 1.00 0.00 H new ATOM 0 HG3 ARG A 80 27.121 18.706 1.998 1.00 0.00 H new ATOM 0 HD2 ARG A 80 28.872 16.275 1.446 1.00 0.00 H new ATOM 0 HD3 ARG A 80 29.408 17.860 1.967 1.00 0.00 H new ATOM 0 HE ARG A 80 27.810 17.226 4.053 1.00 0.00 H new ATOM 0 HH11 ARG A 80 30.156 15.196 2.338 1.00 0.00 H new ATOM 0 HH12 ARG A 80 30.531 14.233 3.770 1.00 0.00 H new ATOM 0 HH21 ARG A 80 28.313 15.951 5.863 1.00 0.00 H new ATOM 0 HH22 ARG A 80 29.505 14.653 5.731 1.00 0.00 H new ATOM 1249 N PRO A 81 22.766 18.777 1.251 1.00 0.00 N ATOM 1250 CA PRO A 81 22.082 20.062 1.480 1.00 0.00 C ATOM 1251 C PRO A 81 21.620 20.245 2.936 1.00 0.00 C ATOM 1252 O PRO A 81 21.844 19.385 3.799 1.00 0.00 O ATOM 1253 CB PRO A 81 20.884 19.957 0.501 1.00 0.00 C ATOM 1254 CG PRO A 81 20.497 18.508 0.562 1.00 0.00 C ATOM 1255 CD PRO A 81 21.787 17.735 0.826 1.00 0.00 C ATOM 0 HA PRO A 81 22.724 20.927 1.312 1.00 0.00 H new ATOM 0 HB2 PRO A 81 20.061 20.604 0.805 1.00 0.00 H new ATOM 0 HB3 PRO A 81 21.166 20.253 -0.509 1.00 0.00 H new ATOM 0 HG2 PRO A 81 19.769 18.332 1.354 1.00 0.00 H new ATOM 0 HG3 PRO A 81 20.036 18.188 -0.372 1.00 0.00 H new ATOM 0 HD2 PRO A 81 21.647 16.982 1.602 1.00 0.00 H new ATOM 0 HD3 PRO A 81 22.127 17.212 -0.068 1.00 0.00 H new ATOM 1263 N LYS A 82 20.949 21.375 3.173 1.00 0.00 N ATOM 1264 CA LYS A 82 20.382 21.747 4.481 1.00 0.00 C ATOM 1265 C LYS A 82 18.878 21.376 4.520 1.00 0.00 C ATOM 1266 O LYS A 82 18.111 21.932 5.314 1.00 0.00 O ATOM 1267 CB LYS A 82 20.612 23.272 4.691 1.00 0.00 C ATOM 1268 CG LYS A 82 22.093 23.711 4.523 1.00 0.00 C ATOM 1269 CD LYS A 82 22.272 25.246 4.521 1.00 0.00 C ATOM 1270 CE LYS A 82 23.719 25.682 4.233 1.00 0.00 C ATOM 1271 NZ LYS A 82 23.859 27.158 4.188 1.00 0.00 N ATOM 0 H LYS A 82 20.779 22.074 2.450 1.00 0.00 H new ATOM 0 HA LYS A 82 20.869 21.204 5.291 1.00 0.00 H new ATOM 0 HB2 LYS A 82 19.996 23.824 3.981 1.00 0.00 H new ATOM 0 HB3 LYS A 82 20.272 23.547 5.689 1.00 0.00 H new ATOM 0 HG2 LYS A 82 22.687 23.283 5.330 1.00 0.00 H new ATOM 0 HG3 LYS A 82 22.483 23.304 3.590 1.00 0.00 H new ATOM 0 HD2 LYS A 82 21.611 25.682 3.772 1.00 0.00 H new ATOM 0 HD3 LYS A 82 21.964 25.643 5.488 1.00 0.00 H new ATOM 0 HE2 LYS A 82 24.378 25.279 5.002 1.00 0.00 H new ATOM 0 HE3 LYS A 82 24.042 25.259 3.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 24.849 27.407 3.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 23.250 27.542 3.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 23.576 27.562 5.104 1.00 0.00 H new ATOM 1285 N ALA A 83 18.487 20.405 3.655 1.00 0.00 N ATOM 1286 CA ALA A 83 17.101 19.925 3.526 1.00 0.00 C ATOM 1287 C ALA A 83 16.683 19.137 4.785 1.00 0.00 C ATOM 1288 O ALA A 83 17.140 18.004 4.987 1.00 0.00 O ATOM 1289 CB ALA A 83 16.954 19.052 2.257 1.00 0.00 C ATOM 0 H ALA A 83 19.137 19.934 3.025 1.00 0.00 H new ATOM 0 HA ALA A 83 16.440 20.786 3.430 1.00 0.00 H new ATOM 0 HB1 ALA A 83 15.925 18.703 2.173 1.00 0.00 H new ATOM 0 HB2 ALA A 83 17.210 19.643 1.377 1.00 0.00 H new ATOM 0 HB3 ALA A 83 17.623 18.194 2.326 1.00 0.00 H new ATOM 1295 N SER A 84 15.862 19.793 5.637 1.00 0.00 N ATOM 1296 CA SER A 84 15.321 19.237 6.896 1.00 0.00 C ATOM 1297 C SER A 84 16.456 18.953 7.920 1.00 0.00 C ATOM 1298 O SER A 84 16.897 17.798 8.050 1.00 0.00 O ATOM 1299 CB SER A 84 14.432 17.982 6.638 1.00 0.00 C ATOM 1300 OG SER A 84 13.878 17.467 7.841 1.00 0.00 O ATOM 0 H SER A 84 15.550 20.748 5.462 1.00 0.00 H new ATOM 0 HA SER A 84 14.672 19.992 7.338 1.00 0.00 H new ATOM 0 HB2 SER A 84 13.627 18.243 5.950 1.00 0.00 H new ATOM 0 HB3 SER A 84 15.028 17.209 6.153 1.00 0.00 H new ATOM 0 HG SER A 84 13.327 16.683 7.638 1.00 0.00 H new ATOM 1306 N PRO A 85 16.989 20.021 8.618 1.00 0.00 N ATOM 1307 CA PRO A 85 17.975 19.863 9.716 1.00 0.00 C ATOM 1308 C PRO A 85 17.327 19.231 10.969 1.00 0.00 C ATOM 1309 O PRO A 85 16.888 19.937 11.890 1.00 0.00 O ATOM 1310 CB PRO A 85 18.491 21.318 9.982 1.00 0.00 C ATOM 1311 CG PRO A 85 17.995 22.127 8.818 1.00 0.00 C ATOM 1312 CD PRO A 85 16.713 21.458 8.374 1.00 0.00 C ATOM 0 HA PRO A 85 18.789 19.187 9.456 1.00 0.00 H new ATOM 0 HB2 PRO A 85 18.106 21.707 10.925 1.00 0.00 H new ATOM 0 HB3 PRO A 85 19.579 21.345 10.046 1.00 0.00 H new ATOM 0 HG2 PRO A 85 17.817 23.162 9.108 1.00 0.00 H new ATOM 0 HG3 PRO A 85 18.728 22.144 8.012 1.00 0.00 H new ATOM 0 HD2 PRO A 85 15.855 21.808 8.948 1.00 0.00 H new ATOM 0 HD3 PRO A 85 16.497 21.655 7.324 1.00 0.00 H new ATOM 1320 N SER A 86 17.225 17.893 10.957 1.00 0.00 N ATOM 1321 CA SER A 86 16.591 17.101 12.025 1.00 0.00 C ATOM 1322 C SER A 86 17.268 15.711 12.097 1.00 0.00 C ATOM 1323 O SER A 86 18.092 15.481 13.010 1.00 0.00 O ATOM 1324 CB SER A 86 15.059 16.981 11.779 1.00 0.00 C ATOM 1325 OG SER A 86 14.433 18.252 11.788 1.00 0.00 O ATOM 1326 OXT SER A 86 17.005 14.863 11.215 1.00 0.00 O ATOM 0 H SER A 86 17.586 17.321 10.194 1.00 0.00 H new ATOM 0 HA SER A 86 16.725 17.602 12.984 1.00 0.00 H new ATOM 0 HB2 SER A 86 14.880 16.492 10.821 1.00 0.00 H new ATOM 0 HB3 SER A 86 14.614 16.349 12.548 1.00 0.00 H new ATOM 0 HG SER A 86 13.472 18.144 11.629 1.00 0.00 H new TER 1332 SER A 86