USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 408 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 24 GLN : amide:sc= -1.5! C(o=-1.5!,f=-3.1!) USER MOD Set 1.2: A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 133:sc= 0.0212 (180deg=0) USER MOD Single : A 6 SER OG : rot -26:sc= 0.542 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= -0.663 USER MOD Single : A 14 GLN : amide:sc= -5.92! C(o=-5.9!,f=-4.1!) USER MOD Single : A 18 THR OG1 : rot -73:sc= 0.951 USER MOD Single : A 19 LYS NZ :NH3+ -158:sc= -3.19! (180deg=-3.82!) USER MOD Single : A 22 GLN : amide:sc= -1.67 X(o=-1.7,f=-1.7!) USER MOD Single : A 26 ASN : amide:sc=-0.00293 K(o=-0.0029,f=-0.8) USER MOD Single : A 27 MET CE :methyl 173:sc= -0.812 (180deg=-1.09) USER MOD Single : A 29 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.133) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -9.17! C(o=-9.2!,f=-4.1!) USER MOD Single : A 48 GLN : amide:sc= -1.26 K(o=-1.3,f=-8.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.340 15.715 15.557 1.00 0.00 N ATOM 2 CA GLY A 1 -6.038 15.048 14.424 1.00 0.00 C ATOM 3 C GLY A 1 -6.408 13.612 14.739 1.00 0.00 C ATOM 4 O GLY A 1 -5.711 12.938 15.497 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.499 16.213 15.202 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.982 16.398 16.007 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.051 15.001 16.255 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.940 15.607 14.177 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.398 15.070 13.542 1.00 0.00 H new ATOM 10 N ARG A 2 -7.508 13.145 14.158 1.00 0.00 N ATOM 11 CA ARG A 2 -7.971 11.781 14.384 1.00 0.00 C ATOM 12 C ARG A 2 -8.610 11.207 13.124 1.00 0.00 C ATOM 13 O ARG A 2 -9.760 10.767 13.142 1.00 0.00 O ATOM 14 CB ARG A 2 -8.962 11.749 15.548 1.00 0.00 C ATOM 15 CG ARG A 2 -10.087 12.765 15.421 1.00 0.00 C ATOM 16 CD ARG A 2 -10.563 13.237 16.786 1.00 0.00 C ATOM 17 NE ARG A 2 -9.482 13.850 17.554 1.00 0.00 N ATOM 18 CZ ARG A 2 -9.677 14.678 18.577 1.00 0.00 C ATOM 19 NH1 ARG A 2 -10.907 14.996 18.956 1.00 0.00 N ATOM 20 NH2 ARG A 2 -8.637 15.190 19.221 1.00 0.00 N ATOM 0 H ARG A 2 -8.095 13.691 13.527 1.00 0.00 H new ATOM 0 HA ARG A 2 -7.110 11.163 14.637 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -9.393 10.750 15.620 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -8.423 11.931 16.478 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -9.744 13.620 14.838 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -10.921 12.321 14.876 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -11.373 13.956 16.660 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -10.970 12.392 17.341 1.00 0.00 H new ATOM 0 HE ARG A 2 -8.521 13.630 17.290 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -11.710 14.605 18.463 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -11.051 15.631 19.741 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -7.689 14.949 18.932 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -8.785 15.825 20.005 1.00 0.00 H new ATOM 34 N ARG A 3 -7.855 11.214 12.030 1.00 0.00 N ATOM 35 CA ARG A 3 -8.346 10.696 10.759 1.00 0.00 C ATOM 36 C ARG A 3 -7.301 9.798 10.094 1.00 0.00 C ATOM 37 O ARG A 3 -7.043 8.689 10.563 1.00 0.00 O ATOM 38 CB ARG A 3 -8.726 11.851 9.828 1.00 0.00 C ATOM 39 CG ARG A 3 -9.876 12.700 10.346 1.00 0.00 C ATOM 40 CD ARG A 3 -9.966 14.023 9.603 1.00 0.00 C ATOM 41 NE ARG A 3 -8.797 14.864 9.847 1.00 0.00 N ATOM 42 CZ ARG A 3 -8.491 15.934 9.118 1.00 0.00 C ATOM 43 NH1 ARG A 3 -9.261 16.289 8.098 1.00 0.00 N ATOM 44 NH2 ARG A 3 -7.413 16.649 9.411 1.00 0.00 N ATOM 0 H ARG A 3 -6.901 11.573 11.999 1.00 0.00 H new ATOM 0 HA ARG A 3 -9.234 10.095 10.955 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -7.854 12.488 9.679 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -8.995 11.446 8.852 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -10.813 12.154 10.235 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -9.741 12.887 11.411 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -10.060 13.833 8.534 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -10.866 14.553 9.913 1.00 0.00 H new ATOM 0 HE ARG A 3 -8.180 14.617 10.621 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -10.091 15.741 7.870 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -9.023 17.110 7.541 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -6.819 16.378 10.195 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -7.178 17.469 8.852 1.00 0.00 H new ATOM 58 N ARG A 4 -6.696 10.283 9.011 1.00 0.00 N ATOM 59 CA ARG A 4 -5.685 9.519 8.290 1.00 0.00 C ATOM 60 C ARG A 4 -4.404 10.327 8.127 1.00 0.00 C ATOM 61 O ARG A 4 -3.453 9.877 7.488 1.00 0.00 O ATOM 62 CB ARG A 4 -6.212 9.099 6.916 1.00 0.00 C ATOM 63 CG ARG A 4 -7.501 8.292 6.970 1.00 0.00 C ATOM 64 CD ARG A 4 -7.366 7.083 7.880 1.00 0.00 C ATOM 65 NE ARG A 4 -6.227 6.244 7.517 1.00 0.00 N ATOM 66 CZ ARG A 4 -6.102 4.973 7.884 1.00 0.00 C ATOM 67 NH1 ARG A 4 -7.038 4.400 8.631 1.00 0.00 N ATOM 68 NH2 ARG A 4 -5.040 4.273 7.508 1.00 0.00 N ATOM 0 H ARG A 4 -6.890 11.203 8.615 1.00 0.00 H new ATOM 0 HA ARG A 4 -5.460 8.627 8.874 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -6.379 9.992 6.313 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -5.447 8.510 6.409 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -8.313 8.926 7.325 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -7.768 7.964 5.965 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -7.255 7.417 8.911 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -8.280 6.491 7.834 1.00 0.00 H new ATOM 0 HE ARG A 4 -5.486 6.657 6.950 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -7.855 4.935 8.924 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -6.940 3.424 8.912 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -4.317 4.710 6.936 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -4.946 3.298 7.791 1.00 0.00 H new ATOM 82 N ARG A 5 -4.383 11.522 8.709 1.00 0.00 N ATOM 83 CA ARG A 5 -3.211 12.387 8.630 1.00 0.00 C ATOM 84 C ARG A 5 -2.156 11.957 9.643 1.00 0.00 C ATOM 85 O ARG A 5 -1.400 12.779 10.162 1.00 0.00 O ATOM 86 CB ARG A 5 -3.609 13.849 8.856 1.00 0.00 C ATOM 87 CG ARG A 5 -4.499 14.071 10.070 1.00 0.00 C ATOM 88 CD ARG A 5 -3.688 14.219 11.348 1.00 0.00 C ATOM 89 NE ARG A 5 -3.753 13.023 12.183 1.00 0.00 N ATOM 90 CZ ARG A 5 -3.392 13.001 13.463 1.00 0.00 C ATOM 91 NH1 ARG A 5 -2.949 14.106 14.050 1.00 0.00 N ATOM 92 NH2 ARG A 5 -3.474 11.874 14.158 1.00 0.00 N ATOM 0 H ARG A 5 -5.162 11.913 9.239 1.00 0.00 H new ATOM 0 HA ARG A 5 -2.783 12.296 7.632 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -2.705 14.447 8.968 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -4.126 14.215 7.969 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -5.104 14.965 9.918 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -5.189 13.233 10.173 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -2.649 14.427 11.095 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -4.056 15.075 11.913 1.00 0.00 H new ATOM 0 HE ARG A 5 -4.093 12.158 11.762 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -2.885 14.975 13.519 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -2.673 14.086 15.032 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -3.814 11.023 13.711 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -3.197 11.859 15.139 1.00 0.00 H new ATOM 106 N SER A 6 -2.103 10.654 9.904 1.00 0.00 N ATOM 107 CA SER A 6 -1.149 10.102 10.857 1.00 0.00 C ATOM 108 C SER A 6 -0.686 8.712 10.427 1.00 0.00 C ATOM 109 O SER A 6 0.158 8.097 11.079 1.00 0.00 O ATOM 110 CB SER A 6 -1.764 10.044 12.254 1.00 0.00 C ATOM 111 OG SER A 6 -0.827 9.573 13.206 1.00 0.00 O ATOM 0 H SER A 6 -2.711 9.961 9.468 1.00 0.00 H new ATOM 0 HA SER A 6 -0.279 10.759 10.881 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.112 11.036 12.542 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.636 9.390 12.244 1.00 0.00 H new ATOM 0 HG SER A 6 -0.160 9.011 12.758 1.00 0.00 H new ATOM 117 N VAL A 7 -1.246 8.229 9.325 1.00 0.00 N ATOM 118 CA VAL A 7 -0.886 6.923 8.785 1.00 0.00 C ATOM 119 C VAL A 7 -0.957 6.933 7.263 1.00 0.00 C ATOM 120 O VAL A 7 -0.096 6.373 6.584 1.00 0.00 O ATOM 121 CB VAL A 7 -1.809 5.811 9.321 1.00 0.00 C ATOM 122 CG1 VAL A 7 -3.251 6.284 9.309 1.00 0.00 C ATOM 123 CG2 VAL A 7 -1.654 4.544 8.493 1.00 0.00 C ATOM 0 H VAL A 7 -1.955 8.725 8.785 1.00 0.00 H new ATOM 0 HA VAL A 7 0.135 6.716 9.106 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.524 5.582 10.348 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.897 5.492 9.689 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.349 7.167 9.940 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.544 6.533 8.289 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.313 3.770 8.886 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.917 4.753 7.456 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -0.621 4.201 8.543 1.00 0.00 H new ATOM 133 N GLN A 8 -1.990 7.579 6.740 1.00 0.00 N ATOM 134 CA GLN A 8 -2.200 7.659 5.304 1.00 0.00 C ATOM 135 C GLN A 8 -1.998 9.084 4.814 1.00 0.00 C ATOM 136 O GLN A 8 -2.958 9.812 4.565 1.00 0.00 O ATOM 137 CB GLN A 8 -3.605 7.181 4.956 1.00 0.00 C ATOM 138 CG GLN A 8 -3.858 7.058 3.462 1.00 0.00 C ATOM 139 CD GLN A 8 -5.307 6.751 3.139 1.00 0.00 C ATOM 140 OE1 GLN A 8 -6.118 7.657 2.946 1.00 0.00 O ATOM 141 NE2 GLN A 8 -5.641 5.468 3.078 1.00 0.00 N ATOM 0 H GLN A 8 -2.699 8.058 7.295 1.00 0.00 H new ATOM 0 HA GLN A 8 -1.472 7.016 4.810 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -3.776 6.212 5.425 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -4.331 7.874 5.382 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -3.569 7.987 2.971 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -3.224 6.271 3.054 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.937 4.749 3.245 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.602 5.201 2.864 1.00 0.00 H new ATOM 150 N TRP A 9 -0.741 9.470 4.684 1.00 0.00 N ATOM 151 CA TRP A 9 -0.395 10.807 4.232 1.00 0.00 C ATOM 152 C TRP A 9 0.551 10.732 3.045 1.00 0.00 C ATOM 153 O TRP A 9 0.679 11.673 2.261 1.00 0.00 O ATOM 154 CB TRP A 9 0.202 11.603 5.399 1.00 0.00 C ATOM 155 CG TRP A 9 0.676 10.741 6.518 1.00 0.00 C ATOM 156 CD1 TRP A 9 0.228 10.759 7.787 1.00 0.00 C ATOM 157 CD2 TRP A 9 1.666 9.724 6.463 1.00 0.00 C ATOM 158 NE1 TRP A 9 0.887 9.827 8.541 1.00 0.00 N ATOM 159 CE2 TRP A 9 1.774 9.168 7.746 1.00 0.00 C ATOM 160 CE3 TRP A 9 2.465 9.237 5.456 1.00 0.00 C ATOM 161 CZ2 TRP A 9 2.660 8.136 8.039 1.00 0.00 C ATOM 162 CZ3 TRP A 9 3.333 8.224 5.730 1.00 0.00 C ATOM 163 CH2 TRP A 9 3.431 7.673 7.014 1.00 0.00 C ATOM 0 H TRP A 9 0.061 8.873 4.886 1.00 0.00 H new ATOM 0 HA TRP A 9 -1.291 11.329 3.895 1.00 0.00 H new ATOM 0 HB2 TRP A 9 1.036 12.202 5.033 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -0.548 12.298 5.777 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -0.544 11.417 8.158 1.00 0.00 H new ATOM 0 HE1 TRP A 9 0.738 9.654 9.535 1.00 0.00 H new ATOM 0 HE3 TRP A 9 2.405 9.652 4.461 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 2.734 7.720 9.033 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 3.959 7.837 4.940 1.00 0.00 H new ATOM 0 HH2 TRP A 9 4.128 6.869 7.195 1.00 0.00 H new ATOM 174 N CYS A 10 1.203 9.593 2.937 1.00 0.00 N ATOM 175 CA CYS A 10 2.132 9.306 1.864 1.00 0.00 C ATOM 176 C CYS A 10 2.086 7.813 1.587 1.00 0.00 C ATOM 177 O CYS A 10 2.617 7.321 0.593 1.00 0.00 O ATOM 178 CB CYS A 10 3.545 9.739 2.250 1.00 0.00 C ATOM 179 SG CYS A 10 4.729 9.679 0.862 1.00 0.00 S ATOM 0 H CYS A 10 1.100 8.828 3.604 1.00 0.00 H new ATOM 0 HA CYS A 10 1.852 9.860 0.968 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.510 10.755 2.644 1.00 0.00 H new ATOM 0 HB3 CYS A 10 3.906 9.097 3.054 1.00 0.00 H new ATOM 184 N ALA A 11 1.439 7.113 2.514 1.00 0.00 N ATOM 185 CA ALA A 11 1.274 5.672 2.461 1.00 0.00 C ATOM 186 C ALA A 11 0.331 5.256 1.336 1.00 0.00 C ATOM 187 O ALA A 11 -0.792 4.815 1.585 1.00 0.00 O ATOM 188 CB ALA A 11 0.748 5.187 3.807 1.00 0.00 C ATOM 0 H ALA A 11 1.010 7.542 3.334 1.00 0.00 H new ATOM 0 HA ALA A 11 2.241 5.214 2.254 1.00 0.00 H new ATOM 0 HB1 ALA A 11 0.620 4.105 3.779 1.00 0.00 H new ATOM 0 HB2 ALA A 11 1.459 5.448 4.591 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -0.211 5.661 4.015 1.00 0.00 H new ATOM 194 N VAL A 12 0.793 5.398 0.099 1.00 0.00 N ATOM 195 CA VAL A 12 -0.008 5.035 -1.064 1.00 0.00 C ATOM 196 C VAL A 12 0.475 3.721 -1.668 1.00 0.00 C ATOM 197 O VAL A 12 -0.281 3.018 -2.339 1.00 0.00 O ATOM 198 CB VAL A 12 0.037 6.132 -2.144 1.00 0.00 C ATOM 199 CG1 VAL A 12 -0.983 5.852 -3.237 1.00 0.00 C ATOM 200 CG2 VAL A 12 -0.198 7.501 -1.526 1.00 0.00 C ATOM 0 H VAL A 12 1.719 5.762 -0.124 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.036 4.921 -0.720 1.00 0.00 H new ATOM 0 HB VAL A 12 1.029 6.127 -2.596 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.935 6.639 -3.990 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.764 4.891 -3.702 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.983 5.825 -2.804 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.162 8.263 -2.305 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.176 7.520 -1.044 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.575 7.703 -0.785 1.00 0.00 H new ATOM 210 N SER A 13 1.741 3.396 -1.425 1.00 0.00 N ATOM 211 CA SER A 13 2.328 2.166 -1.939 1.00 0.00 C ATOM 212 C SER A 13 1.818 0.956 -1.165 1.00 0.00 C ATOM 213 O SER A 13 2.041 0.839 0.040 1.00 0.00 O ATOM 214 CB SER A 13 3.855 2.230 -1.856 1.00 0.00 C ATOM 215 OG SER A 13 4.444 1.034 -2.335 1.00 0.00 O ATOM 0 H SER A 13 2.380 3.969 -0.874 1.00 0.00 H new ATOM 0 HA SER A 13 2.031 2.061 -2.983 1.00 0.00 H new ATOM 0 HB2 SER A 13 4.218 3.076 -2.439 1.00 0.00 H new ATOM 0 HB3 SER A 13 4.159 2.400 -0.823 1.00 0.00 H new ATOM 0 HG SER A 13 5.420 1.102 -2.272 1.00 0.00 H new ATOM 221 N GLN A 14 1.130 0.060 -1.863 1.00 0.00 N ATOM 222 CA GLN A 14 0.584 -1.142 -1.242 1.00 0.00 C ATOM 223 C GLN A 14 1.502 -2.368 -1.406 1.00 0.00 C ATOM 224 O GLN A 14 1.475 -3.260 -0.559 1.00 0.00 O ATOM 225 CB GLN A 14 -0.811 -1.455 -1.793 1.00 0.00 C ATOM 226 CG GLN A 14 -0.869 -1.605 -3.306 1.00 0.00 C ATOM 227 CD GLN A 14 -0.813 -0.273 -4.029 1.00 0.00 C ATOM 228 OE1 GLN A 14 -0.301 -0.181 -5.144 1.00 0.00 O ATOM 229 NE2 GLN A 14 -1.346 0.767 -3.398 1.00 0.00 N ATOM 0 H GLN A 14 0.937 0.143 -2.861 1.00 0.00 H new ATOM 0 HA GLN A 14 0.513 -0.931 -0.175 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -1.171 -2.376 -1.335 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -1.494 -0.661 -1.492 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -0.039 -2.229 -3.637 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.787 -2.124 -3.581 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -1.760 0.645 -2.474 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -1.341 1.687 -3.838 1.00 0.00 H new ATOM 238 N PRO A 15 2.333 -2.453 -2.474 1.00 0.00 N ATOM 239 CA PRO A 15 3.220 -3.610 -2.672 1.00 0.00 C ATOM 240 C PRO A 15 4.177 -3.797 -1.506 1.00 0.00 C ATOM 241 O PRO A 15 4.786 -4.853 -1.346 1.00 0.00 O ATOM 242 CB PRO A 15 3.999 -3.262 -3.943 1.00 0.00 C ATOM 243 CG PRO A 15 3.160 -2.249 -4.635 1.00 0.00 C ATOM 244 CD PRO A 15 2.502 -1.457 -3.548 1.00 0.00 C ATOM 0 HA PRO A 15 2.660 -4.542 -2.747 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.986 -2.864 -3.706 1.00 0.00 H new ATOM 0 HB3 PRO A 15 4.152 -4.142 -4.567 1.00 0.00 H new ATOM 0 HG2 PRO A 15 3.767 -1.608 -5.274 1.00 0.00 H new ATOM 0 HG3 PRO A 15 2.418 -2.726 -5.275 1.00 0.00 H new ATOM 0 HD2 PRO A 15 3.120 -0.618 -3.228 1.00 0.00 H new ATOM 0 HD3 PRO A 15 1.546 -1.044 -3.870 1.00 0.00 H new ATOM 252 N GLU A 16 4.300 -2.754 -0.697 1.00 0.00 N ATOM 253 CA GLU A 16 5.188 -2.780 0.461 1.00 0.00 C ATOM 254 C GLU A 16 4.410 -2.657 1.772 1.00 0.00 C ATOM 255 O GLU A 16 4.718 -3.342 2.748 1.00 0.00 O ATOM 256 CB GLU A 16 6.213 -1.647 0.352 1.00 0.00 C ATOM 257 CG GLU A 16 7.152 -1.545 1.543 1.00 0.00 C ATOM 258 CD GLU A 16 8.130 -0.392 1.415 1.00 0.00 C ATOM 259 OE1 GLU A 16 9.200 -0.587 0.801 1.00 0.00 O ATOM 260 OE2 GLU A 16 7.825 0.705 1.929 1.00 0.00 O ATOM 0 H GLU A 16 3.795 -1.876 -0.820 1.00 0.00 H new ATOM 0 HA GLU A 16 5.702 -3.741 0.469 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.804 -1.792 -0.552 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.683 -0.701 0.238 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.566 -1.421 2.454 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.706 -2.478 1.645 1.00 0.00 H new ATOM 267 N ALA A 17 3.406 -1.786 1.790 1.00 0.00 N ATOM 268 CA ALA A 17 2.603 -1.575 2.992 1.00 0.00 C ATOM 269 C ALA A 17 1.777 -2.804 3.342 1.00 0.00 C ATOM 270 O ALA A 17 1.656 -3.163 4.513 1.00 0.00 O ATOM 271 CB ALA A 17 1.683 -0.376 2.822 1.00 0.00 C ATOM 0 H ALA A 17 3.129 -1.217 0.990 1.00 0.00 H new ATOM 0 HA ALA A 17 3.298 -1.385 3.810 1.00 0.00 H new ATOM 0 HB1 ALA A 17 1.094 -0.237 3.729 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.280 0.517 2.637 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.014 -0.547 1.978 1.00 0.00 H new ATOM 277 N THR A 18 1.208 -3.446 2.326 1.00 0.00 N ATOM 278 CA THR A 18 0.380 -4.618 2.554 1.00 0.00 C ATOM 279 C THR A 18 1.140 -5.713 3.262 1.00 0.00 C ATOM 280 O THR A 18 0.729 -6.149 4.318 1.00 0.00 O ATOM 281 CB THR A 18 -0.187 -5.216 1.266 1.00 0.00 C ATOM 282 OG1 THR A 18 0.878 -5.589 0.382 1.00 0.00 O ATOM 283 CG2 THR A 18 -1.119 -4.241 0.572 1.00 0.00 C ATOM 0 H THR A 18 1.305 -3.175 1.347 1.00 0.00 H new ATOM 0 HA THR A 18 -0.441 -4.256 3.173 1.00 0.00 H new ATOM 0 HB THR A 18 -0.760 -6.104 1.532 1.00 0.00 H new ATOM 0 HG1 THR A 18 1.277 -4.783 -0.008 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.506 -4.695 -0.340 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.948 -3.995 1.235 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.573 -3.331 0.322 1.00 0.00 H new ATOM 291 N LYS A 19 2.242 -6.161 2.670 1.00 0.00 N ATOM 292 CA LYS A 19 3.035 -7.228 3.259 1.00 0.00 C ATOM 293 C LYS A 19 3.431 -6.875 4.689 1.00 0.00 C ATOM 294 O LYS A 19 3.215 -7.647 5.612 1.00 0.00 O ATOM 295 CB LYS A 19 4.260 -7.523 2.380 1.00 0.00 C ATOM 296 CG LYS A 19 5.587 -7.588 3.123 1.00 0.00 C ATOM 297 CD LYS A 19 6.302 -6.250 3.076 1.00 0.00 C ATOM 298 CE LYS A 19 6.696 -5.889 1.656 1.00 0.00 C ATOM 299 NZ LYS A 19 7.603 -4.711 1.612 1.00 0.00 N ATOM 0 H LYS A 19 2.603 -5.802 1.786 1.00 0.00 H new ATOM 0 HA LYS A 19 2.434 -8.136 3.306 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.101 -8.472 1.869 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.329 -6.754 1.611 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.414 -7.876 4.160 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.219 -8.358 2.680 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.655 -5.474 3.485 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.192 -6.288 3.705 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.187 -6.742 1.188 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.799 -5.678 1.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.555 -4.270 0.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.311 -4.021 2.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.579 -5.017 1.801 1.00 0.00 H new ATOM 313 N CYS A 20 3.946 -5.681 4.893 1.00 0.00 N ATOM 314 CA CYS A 20 4.356 -5.266 6.228 1.00 0.00 C ATOM 315 C CYS A 20 3.135 -5.204 7.152 1.00 0.00 C ATOM 316 O CYS A 20 3.220 -4.746 8.291 1.00 0.00 O ATOM 317 CB CYS A 20 5.025 -3.891 6.148 1.00 0.00 C ATOM 318 SG CYS A 20 5.745 -3.284 7.710 1.00 0.00 S ATOM 0 H CYS A 20 4.092 -4.983 4.163 1.00 0.00 H new ATOM 0 HA CYS A 20 5.065 -5.989 6.632 1.00 0.00 H new ATOM 0 HB2 CYS A 20 5.812 -3.931 5.395 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.289 -3.166 5.800 1.00 0.00 H new ATOM 323 N PHE A 21 2.004 -5.676 6.634 1.00 0.00 N ATOM 324 CA PHE A 21 0.740 -5.671 7.350 1.00 0.00 C ATOM 325 C PHE A 21 0.054 -7.037 7.243 1.00 0.00 C ATOM 326 O PHE A 21 -0.674 -7.453 8.145 1.00 0.00 O ATOM 327 CB PHE A 21 -0.126 -4.568 6.738 1.00 0.00 C ATOM 328 CG PHE A 21 -1.519 -4.461 7.273 1.00 0.00 C ATOM 329 CD1 PHE A 21 -1.815 -4.757 8.593 1.00 0.00 C ATOM 330 CD2 PHE A 21 -2.534 -4.039 6.438 1.00 0.00 C ATOM 331 CE1 PHE A 21 -3.106 -4.632 9.068 1.00 0.00 C ATOM 332 CE2 PHE A 21 -3.825 -3.913 6.901 1.00 0.00 C ATOM 333 CZ PHE A 21 -4.115 -4.209 8.221 1.00 0.00 C ATOM 0 H PHE A 21 1.943 -6.075 5.697 1.00 0.00 H new ATOM 0 HA PHE A 21 0.898 -5.479 8.411 1.00 0.00 H new ATOM 0 HB2 PHE A 21 0.376 -3.612 6.890 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -0.182 -4.731 5.662 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -1.030 -5.088 9.257 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.313 -3.804 5.407 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -3.328 -4.864 10.099 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -4.609 -3.584 6.235 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.126 -4.110 8.589 1.00 0.00 H new ATOM 343 N GLN A 22 0.304 -7.728 6.135 1.00 0.00 N ATOM 344 CA GLN A 22 -0.257 -9.046 5.894 1.00 0.00 C ATOM 345 C GLN A 22 0.817 -10.077 6.177 1.00 0.00 C ATOM 346 O GLN A 22 0.571 -11.088 6.836 1.00 0.00 O ATOM 347 CB GLN A 22 -0.753 -9.161 4.452 1.00 0.00 C ATOM 348 CG GLN A 22 -1.843 -8.159 4.104 1.00 0.00 C ATOM 349 CD GLN A 22 -2.272 -8.239 2.652 1.00 0.00 C ATOM 350 OE1 GLN A 22 -2.671 -7.239 2.056 1.00 0.00 O ATOM 351 NE2 GLN A 22 -2.195 -9.432 2.073 1.00 0.00 N ATOM 0 H GLN A 22 0.901 -7.387 5.382 1.00 0.00 H new ATOM 0 HA GLN A 22 -1.112 -9.214 6.549 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.089 -9.020 3.774 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -1.131 -10.170 4.285 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -2.708 -8.333 4.744 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -1.486 -7.152 4.318 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -1.858 -10.236 2.603 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -2.472 -9.545 1.098 1.00 0.00 H new ATOM 360 N TRP A 23 2.015 -9.812 5.658 1.00 0.00 N ATOM 361 CA TRP A 23 3.155 -10.672 5.908 1.00 0.00 C ATOM 362 C TRP A 23 3.310 -10.820 7.409 1.00 0.00 C ATOM 363 O TRP A 23 3.731 -11.849 7.892 1.00 0.00 O ATOM 364 CB TRP A 23 4.443 -10.095 5.276 1.00 0.00 C ATOM 365 CG TRP A 23 5.680 -10.321 6.081 1.00 0.00 C ATOM 366 CD1 TRP A 23 6.655 -11.226 5.845 1.00 0.00 C ATOM 367 CD2 TRP A 23 6.065 -9.618 7.244 1.00 0.00 C ATOM 368 NE1 TRP A 23 7.617 -11.156 6.824 1.00 0.00 N ATOM 369 CE2 TRP A 23 7.275 -10.164 7.696 1.00 0.00 C ATOM 370 CE3 TRP A 23 5.488 -8.586 7.946 1.00 0.00 C ATOM 371 CZ2 TRP A 23 7.914 -9.699 8.838 1.00 0.00 C ATOM 372 CZ3 TRP A 23 6.107 -8.125 9.066 1.00 0.00 C ATOM 373 CH2 TRP A 23 7.314 -8.675 9.514 1.00 0.00 C ATOM 0 H TRP A 23 2.214 -9.008 5.063 1.00 0.00 H new ATOM 0 HA TRP A 23 2.988 -11.647 5.449 1.00 0.00 H new ATOM 0 HB2 TRP A 23 4.580 -10.539 4.290 1.00 0.00 H new ATOM 0 HB3 TRP A 23 4.312 -9.023 5.127 1.00 0.00 H new ATOM 0 HD1 TRP A 23 6.675 -11.907 5.007 1.00 0.00 H new ATOM 0 HE1 TRP A 23 8.447 -11.746 6.888 1.00 0.00 H new ATOM 0 HE3 TRP A 23 4.558 -8.149 7.613 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 8.845 -10.129 9.177 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 5.657 -7.316 9.622 1.00 0.00 H new ATOM 0 HH2 TRP A 23 7.778 -8.284 10.408 1.00 0.00 H new ATOM 384 N GLN A 24 2.974 -9.756 8.136 1.00 0.00 N ATOM 385 CA GLN A 24 3.057 -9.755 9.590 1.00 0.00 C ATOM 386 C GLN A 24 2.023 -10.699 10.192 1.00 0.00 C ATOM 387 O GLN A 24 2.270 -11.336 11.216 1.00 0.00 O ATOM 388 CB GLN A 24 2.865 -8.332 10.128 1.00 0.00 C ATOM 389 CG GLN A 24 3.141 -8.202 11.617 1.00 0.00 C ATOM 390 CD GLN A 24 3.294 -6.759 12.057 1.00 0.00 C ATOM 391 OE1 GLN A 24 2.700 -5.855 11.471 1.00 0.00 O ATOM 392 NE2 GLN A 24 4.096 -6.537 13.091 1.00 0.00 N ATOM 0 H GLN A 24 2.640 -8.879 7.736 1.00 0.00 H new ATOM 0 HA GLN A 24 4.046 -10.109 9.880 1.00 0.00 H new ATOM 0 HB2 GLN A 24 3.524 -7.655 9.584 1.00 0.00 H new ATOM 0 HB3 GLN A 24 1.843 -8.011 9.927 1.00 0.00 H new ATOM 0 HG2 GLN A 24 2.327 -8.664 12.176 1.00 0.00 H new ATOM 0 HG3 GLN A 24 4.049 -8.752 11.864 1.00 0.00 H new ATOM 0 HE21 GLN A 24 4.568 -7.318 13.547 1.00 0.00 H new ATOM 0 HE22 GLN A 24 4.240 -5.586 13.430 1.00 0.00 H new ATOM 401 N ARG A 25 0.867 -10.781 9.547 1.00 0.00 N ATOM 402 CA ARG A 25 -0.207 -11.655 10.002 1.00 0.00 C ATOM 403 C ARG A 25 0.030 -13.079 9.514 1.00 0.00 C ATOM 404 O ARG A 25 -0.877 -13.911 9.493 1.00 0.00 O ATOM 405 CB ARG A 25 -1.553 -11.124 9.504 1.00 0.00 C ATOM 406 CG ARG A 25 -2.296 -10.283 10.532 1.00 0.00 C ATOM 407 CD ARG A 25 -1.479 -9.076 10.968 1.00 0.00 C ATOM 408 NE ARG A 25 -2.134 -8.326 12.036 1.00 0.00 N ATOM 409 CZ ARG A 25 -1.516 -7.927 13.145 1.00 0.00 C ATOM 410 NH1 ARG A 25 -0.233 -8.210 13.331 1.00 0.00 N ATOM 411 NH2 ARG A 25 -2.181 -7.246 14.068 1.00 0.00 N ATOM 0 H ARG A 25 0.648 -10.251 8.704 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.222 -11.669 11.092 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.389 -10.525 8.608 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.181 -11.966 9.214 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.244 -9.948 10.111 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.532 -10.896 11.402 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.497 -9.407 11.307 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.316 -8.421 10.112 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.121 -8.095 11.926 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.281 -8.734 12.623 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.239 -7.903 14.182 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.167 -7.027 13.929 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.706 -6.941 14.918 1.00 0.00 H new ATOM 425 N ASN A 26 1.270 -13.333 9.120 1.00 0.00 N ATOM 426 CA ASN A 26 1.695 -14.638 8.633 1.00 0.00 C ATOM 427 C ASN A 26 3.044 -14.983 9.235 1.00 0.00 C ATOM 428 O ASN A 26 3.239 -16.046 9.813 1.00 0.00 O ATOM 429 CB ASN A 26 1.800 -14.606 7.109 1.00 0.00 C ATOM 430 CG ASN A 26 0.444 -14.543 6.434 1.00 0.00 C ATOM 431 OD1 ASN A 26 -0.524 -15.141 6.904 1.00 0.00 O ATOM 432 ND2 ASN A 26 0.364 -13.803 5.333 1.00 0.00 N ATOM 0 H ASN A 26 2.014 -12.635 9.129 1.00 0.00 H new ATOM 0 HA ASN A 26 0.965 -15.393 8.925 1.00 0.00 H new ATOM 0 HB2 ASN A 26 2.393 -13.743 6.807 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.332 -15.493 6.766 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -0.526 -13.713 4.842 1.00 0.00 H new ATOM 0 HD22 ASN A 26 1.192 -13.325 4.979 1.00 0.00 H new ATOM 439 N MET A 27 3.952 -14.041 9.092 1.00 0.00 N ATOM 440 CA MET A 27 5.303 -14.138 9.595 1.00 0.00 C ATOM 441 C MET A 27 5.297 -14.602 11.043 1.00 0.00 C ATOM 442 O MET A 27 6.226 -15.258 11.514 1.00 0.00 O ATOM 443 CB MET A 27 5.951 -12.763 9.463 1.00 0.00 C ATOM 444 CG MET A 27 5.491 -11.744 10.477 1.00 0.00 C ATOM 445 SD MET A 27 6.317 -11.909 12.072 1.00 0.00 S ATOM 446 CE MET A 27 5.560 -10.566 12.984 1.00 0.00 C ATOM 0 H MET A 27 3.764 -13.163 8.609 1.00 0.00 H new ATOM 0 HA MET A 27 5.872 -14.871 9.023 1.00 0.00 H new ATOM 0 HB2 MET A 27 7.032 -12.877 9.548 1.00 0.00 H new ATOM 0 HB3 MET A 27 5.749 -12.377 8.464 1.00 0.00 H new ATOM 0 HG2 MET A 27 5.670 -10.743 10.084 1.00 0.00 H new ATOM 0 HG3 MET A 27 4.415 -11.843 10.620 1.00 0.00 H new ATOM 0 HE1 MET A 27 5.874 -10.612 14.027 1.00 0.00 H new ATOM 0 HE2 MET A 27 5.870 -9.614 12.553 1.00 0.00 H new ATOM 0 HE3 MET A 27 4.475 -10.654 12.927 1.00 0.00 H new ATOM 456 N ARG A 28 4.226 -14.251 11.731 1.00 0.00 N ATOM 457 CA ARG A 28 4.040 -14.612 13.129 1.00 0.00 C ATOM 458 C ARG A 28 4.332 -16.091 13.337 1.00 0.00 C ATOM 459 O ARG A 28 4.966 -16.481 14.317 1.00 0.00 O ATOM 460 CB ARG A 28 2.609 -14.297 13.570 1.00 0.00 C ATOM 461 CG ARG A 28 1.551 -14.806 12.603 1.00 0.00 C ATOM 462 CD ARG A 28 0.176 -14.842 13.248 1.00 0.00 C ATOM 463 NE ARG A 28 0.051 -15.944 14.200 1.00 0.00 N ATOM 464 CZ ARG A 28 -0.939 -16.050 15.082 1.00 0.00 C ATOM 465 NH1 ARG A 28 -1.878 -15.115 15.147 1.00 0.00 N ATOM 466 NH2 ARG A 28 -0.988 -17.090 15.901 1.00 0.00 N ATOM 0 H ARG A 28 3.458 -13.707 11.338 1.00 0.00 H new ATOM 0 HA ARG A 28 4.734 -14.028 13.733 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.434 -14.737 14.552 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.500 -13.218 13.680 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.524 -14.165 11.722 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.820 -15.806 12.262 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.010 -13.897 13.759 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.586 -14.942 12.475 1.00 0.00 H new ATOM 0 HE ARG A 28 0.764 -16.674 14.187 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.842 -14.312 14.519 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.636 -15.199 15.825 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -0.267 -17.810 15.855 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.747 -17.171 16.577 1.00 0.00 H new ATOM 480 N LYS A 29 3.863 -16.910 12.402 1.00 0.00 N ATOM 481 CA LYS A 29 4.079 -18.348 12.471 1.00 0.00 C ATOM 482 C LYS A 29 5.221 -18.782 11.551 1.00 0.00 C ATOM 483 O LYS A 29 5.627 -19.945 11.564 1.00 0.00 O ATOM 484 CB LYS A 29 2.786 -19.103 12.130 1.00 0.00 C ATOM 485 CG LYS A 29 2.162 -18.717 10.796 1.00 0.00 C ATOM 486 CD LYS A 29 2.763 -19.497 9.638 1.00 0.00 C ATOM 487 CE LYS A 29 2.392 -20.972 9.703 1.00 0.00 C ATOM 488 NZ LYS A 29 2.974 -21.741 8.569 1.00 0.00 N ATOM 0 H LYS A 29 3.331 -16.601 11.588 1.00 0.00 H new ATOM 0 HA LYS A 29 4.365 -18.597 13.493 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.996 -20.173 12.122 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.058 -18.927 12.922 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.087 -18.895 10.834 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.303 -17.650 10.626 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.415 -19.075 8.695 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.848 -19.393 9.653 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.742 -21.393 10.645 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.307 -21.074 9.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.553 -22.691 8.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.774 -21.247 7.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.003 -21.822 8.696 1.00 0.00 H new ATOM 502 N VAL A 30 5.740 -17.845 10.753 1.00 0.00 N ATOM 503 CA VAL A 30 6.841 -18.148 9.841 1.00 0.00 C ATOM 504 C VAL A 30 7.960 -17.110 9.891 1.00 0.00 C ATOM 505 O VAL A 30 8.773 -17.106 10.816 1.00 0.00 O ATOM 506 CB VAL A 30 6.365 -18.267 8.396 1.00 0.00 C ATOM 507 CG1 VAL A 30 5.940 -19.681 8.100 1.00 0.00 C ATOM 508 CG2 VAL A 30 5.226 -17.314 8.142 1.00 0.00 C ATOM 0 H VAL A 30 5.417 -16.878 10.721 1.00 0.00 H new ATOM 0 HA VAL A 30 7.234 -19.105 10.184 1.00 0.00 H new ATOM 0 HB VAL A 30 7.191 -18.007 7.734 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.603 -19.751 7.066 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.784 -20.354 8.253 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.125 -19.963 8.767 1.00 0.00 H new ATOM 0 HG21 VAL A 30 4.896 -17.409 7.108 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.398 -17.550 8.810 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.559 -16.292 8.324 1.00 0.00 H new ATOM 518 N ARG A 31 7.994 -16.237 8.877 1.00 0.00 N ATOM 519 CA ARG A 31 9.014 -15.197 8.781 1.00 0.00 C ATOM 520 C ARG A 31 9.227 -14.530 10.127 1.00 0.00 C ATOM 521 O ARG A 31 8.272 -14.122 10.783 1.00 0.00 O ATOM 522 CB ARG A 31 8.611 -14.154 7.739 1.00 0.00 C ATOM 523 CG ARG A 31 8.836 -14.608 6.308 1.00 0.00 C ATOM 524 CD ARG A 31 10.317 -14.753 5.994 1.00 0.00 C ATOM 525 NE ARG A 31 11.010 -13.467 6.014 1.00 0.00 N ATOM 526 CZ ARG A 31 12.327 -13.337 5.897 1.00 0.00 C ATOM 527 NH1 ARG A 31 13.095 -14.411 5.761 1.00 0.00 N ATOM 528 NH2 ARG A 31 12.881 -12.133 5.917 1.00 0.00 N ATOM 0 H ARG A 31 7.321 -16.234 8.110 1.00 0.00 H new ATOM 0 HA ARG A 31 9.950 -15.663 8.472 1.00 0.00 H new ATOM 0 HB2 ARG A 31 7.558 -13.908 7.872 1.00 0.00 H new ATOM 0 HB3 ARG A 31 9.177 -13.239 7.915 1.00 0.00 H new ATOM 0 HG2 ARG A 31 8.334 -15.561 6.145 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.387 -13.889 5.623 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.777 -15.424 6.719 1.00 0.00 H new ATOM 0 HD3 ARG A 31 10.436 -15.214 5.013 1.00 0.00 H new ATOM 0 HE ARG A 31 10.451 -12.621 6.124 1.00 0.00 H new ATOM 0 HH11 ARG A 31 12.674 -15.340 5.746 1.00 0.00 H new ATOM 0 HH12 ARG A 31 14.106 -14.307 5.671 1.00 0.00 H new ATOM 0 HH21 ARG A 31 12.296 -11.304 6.022 1.00 0.00 H new ATOM 0 HH22 ARG A 31 13.892 -12.035 5.827 1.00 0.00 H new ATOM 542 N GLY A 32 10.482 -14.409 10.537 1.00 0.00 N ATOM 543 CA GLY A 32 10.757 -13.805 11.819 1.00 0.00 C ATOM 544 C GLY A 32 11.604 -12.531 11.776 1.00 0.00 C ATOM 545 O GLY A 32 12.302 -12.245 12.749 1.00 0.00 O ATOM 0 H GLY A 32 11.302 -14.714 10.012 1.00 0.00 H new ATOM 0 HA2 GLY A 32 9.808 -13.574 12.304 1.00 0.00 H new ATOM 0 HA3 GLY A 32 11.265 -14.538 12.445 1.00 0.00 H new ATOM 549 N PRO A 33 11.583 -11.730 10.681 1.00 0.00 N ATOM 550 CA PRO A 33 12.364 -10.493 10.620 1.00 0.00 C ATOM 551 C PRO A 33 11.654 -9.339 11.329 1.00 0.00 C ATOM 552 O PRO A 33 10.429 -9.344 11.453 1.00 0.00 O ATOM 553 CB PRO A 33 12.471 -10.226 9.122 1.00 0.00 C ATOM 554 CG PRO A 33 11.220 -10.792 8.550 1.00 0.00 C ATOM 555 CD PRO A 33 10.829 -11.954 9.431 1.00 0.00 C ATOM 0 HA PRO A 33 13.330 -10.581 11.117 1.00 0.00 H new ATOM 0 HB2 PRO A 33 12.555 -9.159 8.914 1.00 0.00 H new ATOM 0 HB3 PRO A 33 13.353 -10.704 8.696 1.00 0.00 H new ATOM 0 HG2 PRO A 33 10.430 -10.041 8.527 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.378 -11.121 7.523 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.754 -11.973 9.612 1.00 0.00 H new ATOM 0 HD3 PRO A 33 11.092 -12.907 8.973 1.00 0.00 H new ATOM 563 N PRO A 34 12.411 -8.333 11.807 1.00 0.00 N ATOM 564 CA PRO A 34 11.838 -7.185 12.516 1.00 0.00 C ATOM 565 C PRO A 34 11.201 -6.155 11.584 1.00 0.00 C ATOM 566 O PRO A 34 11.871 -5.240 11.105 1.00 0.00 O ATOM 567 CB PRO A 34 13.051 -6.583 13.225 1.00 0.00 C ATOM 568 CG PRO A 34 14.203 -6.911 12.339 1.00 0.00 C ATOM 569 CD PRO A 34 13.882 -8.237 11.699 1.00 0.00 C ATOM 0 HA PRO A 34 11.028 -7.485 13.181 1.00 0.00 H new ATOM 0 HB2 PRO A 34 12.942 -5.506 13.352 1.00 0.00 H new ATOM 0 HB3 PRO A 34 13.181 -7.010 14.220 1.00 0.00 H new ATOM 0 HG2 PRO A 34 14.344 -6.139 11.583 1.00 0.00 H new ATOM 0 HG3 PRO A 34 15.129 -6.970 12.911 1.00 0.00 H new ATOM 0 HD2 PRO A 34 14.210 -8.270 10.660 1.00 0.00 H new ATOM 0 HD3 PRO A 34 14.376 -9.060 12.215 1.00 0.00 H new ATOM 577 N VAL A 35 9.901 -6.311 11.331 1.00 0.00 N ATOM 578 CA VAL A 35 9.172 -5.381 10.470 1.00 0.00 C ATOM 579 C VAL A 35 7.771 -5.122 11.014 1.00 0.00 C ATOM 580 O VAL A 35 6.873 -5.948 10.865 1.00 0.00 O ATOM 581 CB VAL A 35 9.048 -5.896 9.019 1.00 0.00 C ATOM 582 CG1 VAL A 35 8.980 -4.728 8.045 1.00 0.00 C ATOM 583 CG2 VAL A 35 10.201 -6.825 8.665 1.00 0.00 C ATOM 0 H VAL A 35 9.334 -7.070 11.709 1.00 0.00 H new ATOM 0 HA VAL A 35 9.750 -4.457 10.463 1.00 0.00 H new ATOM 0 HB VAL A 35 8.123 -6.468 8.941 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.893 -5.108 7.027 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.112 -4.110 8.277 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.886 -4.128 8.132 1.00 0.00 H new ATOM 0 HG21 VAL A 35 10.087 -7.172 7.638 1.00 0.00 H new ATOM 0 HG22 VAL A 35 11.144 -6.288 8.764 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.198 -7.681 9.339 1.00 0.00 H new ATOM 593 N SER A 36 7.592 -3.973 11.653 1.00 0.00 N ATOM 594 CA SER A 36 6.297 -3.601 12.212 1.00 0.00 C ATOM 595 C SER A 36 5.890 -2.225 11.710 1.00 0.00 C ATOM 596 O SER A 36 5.832 -1.262 12.476 1.00 0.00 O ATOM 597 CB SER A 36 6.353 -3.600 13.738 1.00 0.00 C ATOM 598 OG SER A 36 5.077 -3.341 14.295 1.00 0.00 O ATOM 0 H SER A 36 8.328 -3.281 11.798 1.00 0.00 H new ATOM 0 HA SER A 36 5.557 -4.334 11.890 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.719 -4.564 14.092 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.062 -2.845 14.078 1.00 0.00 H new ATOM 0 HG SER A 36 5.140 -3.347 15.273 1.00 0.00 H new ATOM 604 N CYS A 37 5.608 -2.140 10.417 1.00 0.00 N ATOM 605 CA CYS A 37 5.230 -0.876 9.807 1.00 0.00 C ATOM 606 C CYS A 37 3.848 -0.944 9.158 1.00 0.00 C ATOM 607 O CYS A 37 3.713 -1.205 7.964 1.00 0.00 O ATOM 608 CB CYS A 37 6.297 -0.443 8.794 1.00 0.00 C ATOM 609 SG CYS A 37 6.360 -1.400 7.235 1.00 0.00 S ATOM 0 H CYS A 37 5.634 -2.930 9.773 1.00 0.00 H new ATOM 0 HA CYS A 37 5.169 -0.127 10.596 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.130 0.605 8.547 1.00 0.00 H new ATOM 0 HB3 CYS A 37 7.273 -0.506 9.275 1.00 0.00 H new ATOM 614 N ILE A 38 2.818 -0.700 9.962 1.00 0.00 N ATOM 615 CA ILE A 38 1.444 -0.720 9.473 1.00 0.00 C ATOM 616 C ILE A 38 0.885 0.692 9.390 1.00 0.00 C ATOM 617 O ILE A 38 0.666 1.221 8.299 1.00 0.00 O ATOM 618 CB ILE A 38 0.530 -1.571 10.375 1.00 0.00 C ATOM 619 CG1 ILE A 38 1.115 -2.973 10.561 1.00 0.00 C ATOM 620 CG2 ILE A 38 -0.871 -1.650 9.782 1.00 0.00 C ATOM 621 CD1 ILE A 38 0.372 -3.808 11.584 1.00 0.00 C ATOM 0 H ILE A 38 2.909 -0.486 10.955 1.00 0.00 H new ATOM 0 HA ILE A 38 1.466 -1.167 8.479 1.00 0.00 H new ATOM 0 HB ILE A 38 0.466 -1.095 11.353 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.104 -3.493 9.603 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.158 -2.885 10.864 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.507 -2.254 10.429 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.288 -0.646 9.699 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.822 -2.106 8.793 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.841 -4.788 11.664 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.405 -3.310 12.553 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.666 -3.927 11.272 1.00 0.00 H new ATOM 633 N LYS A 39 0.655 1.296 10.548 1.00 0.00 N ATOM 634 CA LYS A 39 0.130 2.653 10.604 1.00 0.00 C ATOM 635 C LYS A 39 1.225 3.646 10.252 1.00 0.00 C ATOM 636 O LYS A 39 0.973 4.838 10.084 1.00 0.00 O ATOM 637 CB LYS A 39 -0.429 2.978 11.991 1.00 0.00 C ATOM 638 CG LYS A 39 -1.562 2.063 12.436 1.00 0.00 C ATOM 639 CD LYS A 39 -1.057 0.699 12.890 1.00 0.00 C ATOM 640 CE LYS A 39 -0.193 0.804 14.137 1.00 0.00 C ATOM 641 NZ LYS A 39 0.370 -0.516 14.533 1.00 0.00 N ATOM 0 H LYS A 39 0.823 0.869 11.459 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.683 2.728 9.882 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.379 2.918 12.720 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.786 4.008 11.995 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.109 2.536 13.252 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.265 1.933 11.614 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.906 0.045 13.090 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.482 0.238 12.087 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.621 1.507 13.957 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.787 1.207 14.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.953 -0.403 15.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.406 -1.180 14.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.957 -0.889 13.760 1.00 0.00 H new ATOM 655 N ARG A 40 2.445 3.139 10.148 1.00 0.00 N ATOM 656 CA ARG A 40 3.590 3.966 9.816 1.00 0.00 C ATOM 657 C ARG A 40 4.098 3.662 8.422 1.00 0.00 C ATOM 658 O ARG A 40 4.184 2.508 8.002 1.00 0.00 O ATOM 659 CB ARG A 40 4.718 3.786 10.828 1.00 0.00 C ATOM 660 CG ARG A 40 4.765 2.408 11.468 1.00 0.00 C ATOM 661 CD ARG A 40 3.780 2.288 12.625 1.00 0.00 C ATOM 662 NE ARG A 40 4.051 3.263 13.677 1.00 0.00 N ATOM 663 CZ ARG A 40 3.496 3.218 14.885 1.00 0.00 C ATOM 664 NH1 ARG A 40 2.638 2.254 15.191 1.00 0.00 N ATOM 665 NH2 ARG A 40 3.798 4.141 15.789 1.00 0.00 N ATOM 0 H ARG A 40 2.665 2.153 10.290 1.00 0.00 H new ATOM 0 HA ARG A 40 3.257 5.003 9.849 1.00 0.00 H new ATOM 0 HB2 ARG A 40 5.670 3.977 10.332 1.00 0.00 H new ATOM 0 HB3 ARG A 40 4.611 4.535 11.612 1.00 0.00 H new ATOM 0 HG2 ARG A 40 4.538 1.651 10.718 1.00 0.00 H new ATOM 0 HG3 ARG A 40 5.774 2.208 11.828 1.00 0.00 H new ATOM 0 HD2 ARG A 40 2.765 2.429 12.253 1.00 0.00 H new ATOM 0 HD3 ARG A 40 3.831 1.282 13.041 1.00 0.00 H new ATOM 0 HE ARG A 40 4.702 4.021 13.474 1.00 0.00 H new ATOM 0 HH11 ARG A 40 2.401 1.543 14.499 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.215 2.223 16.119 1.00 0.00 H new ATOM 0 HH21 ARG A 40 4.456 4.885 15.558 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.372 4.106 16.715 1.00 0.00 H new ATOM 679 N ASP A 41 4.432 4.723 7.725 1.00 0.00 N ATOM 680 CA ASP A 41 4.934 4.648 6.373 1.00 0.00 C ATOM 681 C ASP A 41 5.906 5.803 6.189 1.00 0.00 C ATOM 682 O ASP A 41 5.985 6.415 5.128 1.00 0.00 O ATOM 683 CB ASP A 41 3.779 4.708 5.369 1.00 0.00 C ATOM 684 CG ASP A 41 4.226 4.449 3.944 1.00 0.00 C ATOM 685 OD1 ASP A 41 4.436 3.270 3.592 1.00 0.00 O ATOM 686 OD2 ASP A 41 4.358 5.426 3.177 1.00 0.00 O ATOM 0 H ASP A 41 4.362 5.675 8.086 1.00 0.00 H new ATOM 0 HA ASP A 41 5.448 3.703 6.196 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.023 3.973 5.647 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.306 5.689 5.424 1.00 0.00 H new ATOM 691 N SER A 42 6.603 6.104 7.291 1.00 0.00 N ATOM 692 CA SER A 42 7.589 7.183 7.373 1.00 0.00 C ATOM 693 C SER A 42 8.441 7.289 6.106 1.00 0.00 C ATOM 694 O SER A 42 8.341 6.448 5.221 1.00 0.00 O ATOM 695 CB SER A 42 8.482 6.923 8.593 1.00 0.00 C ATOM 696 OG SER A 42 7.731 6.967 9.793 1.00 0.00 O ATOM 0 H SER A 42 6.494 5.593 8.167 1.00 0.00 H new ATOM 0 HA SER A 42 7.062 8.132 7.473 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.961 5.949 8.496 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.277 7.667 8.631 1.00 0.00 H new ATOM 0 HG SER A 42 8.323 6.797 10.556 1.00 0.00 H new ATOM 702 N PRO A 43 9.290 8.334 5.985 1.00 0.00 N ATOM 703 CA PRO A 43 10.167 8.507 4.820 1.00 0.00 C ATOM 704 C PRO A 43 10.990 7.254 4.514 1.00 0.00 C ATOM 705 O PRO A 43 11.762 7.233 3.554 1.00 0.00 O ATOM 706 CB PRO A 43 11.096 9.665 5.223 1.00 0.00 C ATOM 707 CG PRO A 43 10.874 9.856 6.686 1.00 0.00 C ATOM 708 CD PRO A 43 9.454 9.447 6.933 1.00 0.00 C ATOM 0 HA PRO A 43 9.591 8.702 3.915 1.00 0.00 H new ATOM 0 HB2 PRO A 43 12.138 9.425 5.011 1.00 0.00 H new ATOM 0 HB3 PRO A 43 10.858 10.572 4.667 1.00 0.00 H new ATOM 0 HG2 PRO A 43 11.565 9.248 7.270 1.00 0.00 H new ATOM 0 HG3 PRO A 43 11.039 10.894 6.976 1.00 0.00 H new ATOM 0 HD2 PRO A 43 9.293 9.132 7.964 1.00 0.00 H new ATOM 0 HD3 PRO A 43 8.755 10.259 6.735 1.00 0.00 H new ATOM 716 N ILE A 44 10.824 6.213 5.330 1.00 0.00 N ATOM 717 CA ILE A 44 11.552 4.967 5.126 1.00 0.00 C ATOM 718 C ILE A 44 10.757 4.053 4.203 1.00 0.00 C ATOM 719 O ILE A 44 11.308 3.197 3.512 1.00 0.00 O ATOM 720 CB ILE A 44 11.822 4.251 6.464 1.00 0.00 C ATOM 721 CG1 ILE A 44 12.195 5.277 7.540 1.00 0.00 C ATOM 722 CG2 ILE A 44 12.924 3.212 6.294 1.00 0.00 C ATOM 723 CD1 ILE A 44 12.531 4.665 8.885 1.00 0.00 C ATOM 0 H ILE A 44 10.195 6.210 6.133 1.00 0.00 H new ATOM 0 HA ILE A 44 12.513 5.205 4.670 1.00 0.00 H new ATOM 0 HB ILE A 44 10.917 3.734 6.782 1.00 0.00 H new ATOM 0 HG12 ILE A 44 13.050 5.858 7.193 1.00 0.00 H new ATOM 0 HG13 ILE A 44 11.366 5.974 7.666 1.00 0.00 H new ATOM 0 HG21 ILE A 44 13.105 2.714 7.247 1.00 0.00 H new ATOM 0 HG22 ILE A 44 12.618 2.475 5.551 1.00 0.00 H new ATOM 0 HG23 ILE A 44 13.839 3.703 5.962 1.00 0.00 H new ATOM 0 HD11 ILE A 44 12.784 5.456 9.591 1.00 0.00 H new ATOM 0 HD12 ILE A 44 11.671 4.108 9.256 1.00 0.00 H new ATOM 0 HD13 ILE A 44 13.380 3.991 8.776 1.00 0.00 H new ATOM 735 N GLN A 45 9.452 4.263 4.215 1.00 0.00 N ATOM 736 CA GLN A 45 8.522 3.513 3.387 1.00 0.00 C ATOM 737 C GLN A 45 7.932 4.410 2.299 1.00 0.00 C ATOM 738 O GLN A 45 7.971 4.079 1.113 1.00 0.00 O ATOM 739 CB GLN A 45 7.392 2.956 4.253 1.00 0.00 C ATOM 740 CG GLN A 45 7.859 1.978 5.323 1.00 0.00 C ATOM 741 CD GLN A 45 8.548 2.635 6.502 1.00 0.00 C ATOM 742 OE1 GLN A 45 9.536 2.113 7.017 1.00 0.00 O ATOM 743 NE2 GLN A 45 8.017 3.759 6.964 1.00 0.00 N ATOM 0 H GLN A 45 9.004 4.965 4.804 1.00 0.00 H new ATOM 0 HA GLN A 45 9.062 2.692 2.915 1.00 0.00 H new ATOM 0 HB2 GLN A 45 6.874 3.785 4.734 1.00 0.00 H new ATOM 0 HB3 GLN A 45 6.667 2.457 3.610 1.00 0.00 H new ATOM 0 HG2 GLN A 45 6.999 1.415 5.686 1.00 0.00 H new ATOM 0 HG3 GLN A 45 8.543 1.260 4.870 1.00 0.00 H new ATOM 0 HE21 GLN A 45 7.197 4.160 6.509 1.00 0.00 H new ATOM 0 HE22 GLN A 45 8.428 4.222 7.774 1.00 0.00 H new ATOM 752 N CYS A 46 7.387 5.549 2.723 1.00 0.00 N ATOM 753 CA CYS A 46 6.775 6.517 1.813 1.00 0.00 C ATOM 754 C CYS A 46 7.733 6.929 0.698 1.00 0.00 C ATOM 755 O CYS A 46 7.306 7.219 -0.420 1.00 0.00 O ATOM 756 CB CYS A 46 6.316 7.747 2.604 1.00 0.00 C ATOM 757 SG CYS A 46 6.529 9.338 1.737 1.00 0.00 S ATOM 0 H CYS A 46 7.357 5.827 3.704 1.00 0.00 H new ATOM 0 HA CYS A 46 5.914 6.043 1.342 1.00 0.00 H new ATOM 0 HB2 CYS A 46 5.263 7.626 2.858 1.00 0.00 H new ATOM 0 HB3 CYS A 46 6.868 7.784 3.543 1.00 0.00 H new ATOM 762 N ILE A 47 9.026 6.956 1.005 1.00 0.00 N ATOM 763 CA ILE A 47 10.033 7.336 0.020 1.00 0.00 C ATOM 764 C ILE A 47 10.815 6.120 -0.468 1.00 0.00 C ATOM 765 O ILE A 47 11.633 5.562 0.262 1.00 0.00 O ATOM 766 CB ILE A 47 11.020 8.373 0.593 1.00 0.00 C ATOM 767 CG1 ILE A 47 10.256 9.570 1.164 1.00 0.00 C ATOM 768 CG2 ILE A 47 12.000 8.820 -0.484 1.00 0.00 C ATOM 769 CD1 ILE A 47 11.144 10.604 1.824 1.00 0.00 C ATOM 0 H ILE A 47 9.400 6.720 1.924 1.00 0.00 H new ATOM 0 HA ILE A 47 9.499 7.781 -0.820 1.00 0.00 H new ATOM 0 HB ILE A 47 11.588 7.911 1.401 1.00 0.00 H new ATOM 0 HG12 ILE A 47 9.694 10.047 0.361 1.00 0.00 H new ATOM 0 HG13 ILE A 47 9.529 9.211 1.892 1.00 0.00 H new ATOM 0 HG21 ILE A 47 12.691 9.552 -0.066 1.00 0.00 H new ATOM 0 HG22 ILE A 47 12.560 7.958 -0.847 1.00 0.00 H new ATOM 0 HG23 ILE A 47 11.451 9.270 -1.311 1.00 0.00 H new ATOM 0 HD11 ILE A 47 10.531 11.421 2.204 1.00 0.00 H new ATOM 0 HD12 ILE A 47 11.687 10.144 2.649 1.00 0.00 H new ATOM 0 HD13 ILE A 47 11.854 10.993 1.094 1.00 0.00 H new ATOM 781 N GLN A 48 10.555 5.717 -1.709 1.00 0.00 N ATOM 782 CA GLN A 48 11.236 4.569 -2.299 1.00 0.00 C ATOM 783 C GLN A 48 11.421 4.762 -3.801 1.00 0.00 C ATOM 784 O GLN A 48 10.784 5.623 -4.408 1.00 0.00 O ATOM 785 CB GLN A 48 10.450 3.283 -2.024 1.00 0.00 C ATOM 786 CG GLN A 48 9.036 3.295 -2.585 1.00 0.00 C ATOM 787 CD GLN A 48 8.932 2.604 -3.933 1.00 0.00 C ATOM 788 OE1 GLN A 48 9.881 2.590 -4.715 1.00 0.00 O ATOM 789 NE2 GLN A 48 7.770 2.021 -4.208 1.00 0.00 N ATOM 0 H GLN A 48 9.878 6.168 -2.325 1.00 0.00 H new ATOM 0 HA GLN A 48 12.221 4.484 -1.839 1.00 0.00 H new ATOM 0 HB2 GLN A 48 10.992 2.439 -2.450 1.00 0.00 H new ATOM 0 HB3 GLN A 48 10.402 3.121 -0.947 1.00 0.00 H new ATOM 0 HG2 GLN A 48 8.366 2.806 -1.878 1.00 0.00 H new ATOM 0 HG3 GLN A 48 8.698 4.327 -2.684 1.00 0.00 H new ATOM 0 HE21 GLN A 48 7.009 2.057 -3.530 1.00 0.00 H new ATOM 0 HE22 GLN A 48 7.640 1.538 -5.097 1.00 0.00 H new ATOM 798 N ALA A 49 12.295 3.955 -4.395 1.00 0.00 N ATOM 799 CA ALA A 49 12.563 4.039 -5.826 1.00 0.00 C ATOM 800 C ALA A 49 12.362 2.687 -6.503 1.00 0.00 C ATOM 801 O ALA A 49 11.257 2.452 -7.037 1.00 0.00 O ATOM 802 CB ALA A 49 13.975 4.549 -6.069 1.00 0.00 C ATOM 803 OXT ALA A 49 13.310 1.874 -6.495 1.00 0.00 O ATOM 0 H ALA A 49 12.829 3.236 -3.907 1.00 0.00 H new ATOM 0 HA ALA A 49 11.854 4.743 -6.263 1.00 0.00 H new ATOM 0 HB1 ALA A 49 14.161 4.607 -7.141 1.00 0.00 H new ATOM 0 HB2 ALA A 49 14.085 5.540 -5.628 1.00 0.00 H new ATOM 0 HB3 ALA A 49 14.692 3.867 -5.612 1.00 0.00 H new TER 809 ALA A 49