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 Single : A 1 GLY N :NH3+ 165:sc= -0.257 (180deg=-0.353) USER MOD Single : A 6 SER OG : rot -35:sc= 0.736 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 USER MOD Single : A 14 GLN : amide:sc= -2.87! X(o=-2.9!,f=-2.8) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 157:sc= -0.139 (180deg=-0.693) USER MOD Single : A 22 GLN : amide:sc= -0.209 K(o=-0.21,f=-1.6!) USER MOD Single : A 24 GLN : amide:sc= -1.61 K(o=-1.6,f=-5.2!) USER MOD Single : A 26 ASN : amide:sc= -0.0298 X(o=-0.03,f=-0.032) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 171:sc= -0.104 (180deg=-0.268) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN :FLIP amide:sc= -1.13 F(o=-3.3!,f=-1.1) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.766 1.974 -20.483 1.00 0.00 N ATOM 2 CA GLY A 1 -6.942 0.860 -19.940 1.00 0.00 C ATOM 3 C GLY A 1 -5.577 1.322 -19.469 1.00 0.00 C ATOM 4 O GLY A 1 -4.711 0.505 -19.157 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.569 1.584 -21.016 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.122 2.557 -19.699 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.184 2.561 -21.114 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.471 0.393 -19.109 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.818 0.096 -20.708 1.00 0.00 H new ATOM 10 N ARG A 2 -5.386 2.637 -19.417 1.00 0.00 N ATOM 11 CA ARG A 2 -4.116 3.211 -18.981 1.00 0.00 C ATOM 12 C ARG A 2 -3.968 3.108 -17.466 1.00 0.00 C ATOM 13 O ARG A 2 -4.880 2.659 -16.772 1.00 0.00 O ATOM 14 CB ARG A 2 -4.011 4.675 -19.417 1.00 0.00 C ATOM 15 CG ARG A 2 -3.789 4.859 -20.911 1.00 0.00 C ATOM 16 CD ARG A 2 -5.038 4.530 -21.715 1.00 0.00 C ATOM 17 NE ARG A 2 -4.830 4.719 -23.148 1.00 0.00 N ATOM 18 CZ ARG A 2 -5.670 4.275 -24.079 1.00 0.00 C ATOM 19 NH1 ARG A 2 -6.770 3.622 -23.730 1.00 0.00 N ATOM 20 NH2 ARG A 2 -5.409 4.485 -25.363 1.00 0.00 N ATOM 0 H ARG A 2 -6.094 3.326 -19.671 1.00 0.00 H new ATOM 0 HA ARG A 2 -3.311 2.644 -19.449 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -4.924 5.196 -19.128 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -3.190 5.147 -18.877 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -3.490 5.888 -21.110 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -2.968 4.220 -21.237 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -5.331 3.498 -21.524 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -5.861 5.162 -21.381 1.00 0.00 H new ATOM 0 HE ARG A 2 -3.995 5.219 -23.452 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -6.975 3.458 -22.744 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -7.411 3.283 -24.447 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -4.564 4.987 -25.636 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -6.053 4.144 -26.077 1.00 0.00 H new ATOM 34 N ARG A 3 -2.813 3.528 -16.959 1.00 0.00 N ATOM 35 CA ARG A 3 -2.544 3.482 -15.527 1.00 0.00 C ATOM 36 C ARG A 3 -2.787 4.846 -14.885 1.00 0.00 C ATOM 37 O ARG A 3 -2.693 5.879 -15.546 1.00 0.00 O ATOM 38 CB ARG A 3 -1.103 3.031 -15.272 1.00 0.00 C ATOM 39 CG ARG A 3 -0.802 2.743 -13.809 1.00 0.00 C ATOM 40 CD ARG A 3 -1.612 1.563 -13.296 1.00 0.00 C ATOM 41 NE ARG A 3 -1.415 1.339 -11.867 1.00 0.00 N ATOM 42 CZ ARG A 3 -2.175 0.529 -11.136 1.00 0.00 C ATOM 43 NH1 ARG A 3 -3.179 -0.131 -11.699 1.00 0.00 N ATOM 44 NH2 ARG A 3 -1.932 0.379 -9.842 1.00 0.00 N ATOM 0 H ARG A 3 -2.048 3.904 -17.519 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.226 2.762 -15.075 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -0.903 2.134 -15.858 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -0.421 3.803 -15.629 1.00 0.00 H new ATOM 0 HG2 ARG A 3 0.261 2.536 -13.689 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -1.024 3.626 -13.210 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -2.670 1.738 -13.492 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -1.330 0.665 -13.845 1.00 0.00 H new ATOM 0 HE ARG A 3 -0.652 1.831 -11.403 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -3.369 -0.018 -12.695 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -3.761 -0.752 -11.136 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -1.161 0.885 -9.406 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -2.516 -0.243 -9.282 1.00 0.00 H new ATOM 58 N ARG A 4 -3.100 4.836 -13.592 1.00 0.00 N ATOM 59 CA ARG A 4 -3.364 6.068 -12.856 1.00 0.00 C ATOM 60 C ARG A 4 -2.098 6.913 -12.731 1.00 0.00 C ATOM 61 O ARG A 4 -1.220 6.617 -11.920 1.00 0.00 O ATOM 62 CB ARG A 4 -3.915 5.742 -11.464 1.00 0.00 C ATOM 63 CG ARG A 4 -4.921 6.759 -10.943 1.00 0.00 C ATOM 64 CD ARG A 4 -4.283 8.120 -10.713 1.00 0.00 C ATOM 65 NE ARG A 4 -5.243 9.097 -10.207 1.00 0.00 N ATOM 66 CZ ARG A 4 -5.144 10.406 -10.417 1.00 0.00 C ATOM 67 NH1 ARG A 4 -4.129 10.896 -11.117 1.00 0.00 N ATOM 68 NH2 ARG A 4 -6.061 11.229 -9.925 1.00 0.00 N ATOM 0 H ARG A 4 -3.177 3.987 -13.032 1.00 0.00 H new ATOM 0 HA ARG A 4 -4.106 6.643 -13.410 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -4.388 4.760 -11.492 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -3.084 5.676 -10.762 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -5.740 6.858 -11.656 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -5.352 6.398 -10.009 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -3.461 8.020 -10.005 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -3.856 8.483 -11.648 1.00 0.00 H new ATOM 0 HE ARG A 4 -6.034 8.756 -9.661 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -3.421 10.268 -11.496 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -4.057 11.901 -11.276 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -6.843 10.858 -9.385 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -5.984 12.233 -10.087 1.00 0.00 H new ATOM 82 N ARG A 5 -2.013 7.965 -13.541 1.00 0.00 N ATOM 83 CA ARG A 5 -0.859 8.861 -13.522 1.00 0.00 C ATOM 84 C ARG A 5 -1.308 10.308 -13.334 1.00 0.00 C ATOM 85 O ARG A 5 -2.319 10.726 -13.898 1.00 0.00 O ATOM 86 CB ARG A 5 -0.062 8.732 -14.823 1.00 0.00 C ATOM 87 CG ARG A 5 0.300 7.300 -15.183 1.00 0.00 C ATOM 88 CD ARG A 5 1.053 7.233 -16.502 1.00 0.00 C ATOM 89 NE ARG A 5 0.320 7.886 -17.583 1.00 0.00 N ATOM 90 CZ ARG A 5 0.598 7.721 -18.872 1.00 0.00 C ATOM 91 NH1 ARG A 5 1.584 6.916 -19.246 1.00 0.00 N ATOM 92 NH2 ARG A 5 -0.112 8.361 -19.792 1.00 0.00 N ATOM 0 H ARG A 5 -2.731 8.219 -14.220 1.00 0.00 H new ATOM 0 HA ARG A 5 -0.221 8.578 -12.685 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -0.642 9.166 -15.638 1.00 0.00 H new ATOM 0 HB3 ARG A 5 0.853 9.317 -14.737 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.911 6.868 -14.391 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -0.607 6.699 -15.249 1.00 0.00 H new ATOM 0 HD2 ARG A 5 2.028 7.706 -16.387 1.00 0.00 H new ATOM 0 HD3 ARG A 5 1.233 6.190 -16.764 1.00 0.00 H new ATOM 0 HE ARG A 5 -0.451 8.506 -17.334 1.00 0.00 H new ATOM 0 HH11 ARG A 5 2.132 6.421 -18.543 1.00 0.00 H new ATOM 0 HH12 ARG A 5 1.794 6.793 -20.237 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -0.872 8.980 -19.510 1.00 0.00 H new ATOM 0 HH22 ARG A 5 0.102 8.234 -20.781 1.00 0.00 H new ATOM 106 N SER A 6 -0.556 11.069 -12.542 1.00 0.00 N ATOM 107 CA SER A 6 -0.895 12.467 -12.293 1.00 0.00 C ATOM 108 C SER A 6 0.254 13.379 -12.658 1.00 0.00 C ATOM 109 O SER A 6 0.208 14.594 -12.460 1.00 0.00 O ATOM 110 CB SER A 6 -1.282 12.670 -10.832 1.00 0.00 C ATOM 111 OG SER A 6 -1.713 13.999 -10.594 1.00 0.00 O ATOM 0 H SER A 6 0.285 10.744 -12.065 1.00 0.00 H new ATOM 0 HA SER A 6 -1.747 12.722 -12.923 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.077 11.974 -10.564 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.429 12.442 -10.192 1.00 0.00 H new ATOM 0 HG SER A 6 -1.195 14.616 -11.152 1.00 0.00 H new ATOM 117 N VAL A 7 1.274 12.763 -13.191 1.00 0.00 N ATOM 118 CA VAL A 7 2.480 13.461 -13.615 1.00 0.00 C ATOM 119 C VAL A 7 3.074 12.766 -14.831 1.00 0.00 C ATOM 120 O VAL A 7 2.371 12.070 -15.564 1.00 0.00 O ATOM 121 CB VAL A 7 3.545 13.530 -12.493 1.00 0.00 C ATOM 122 CG1 VAL A 7 4.246 14.881 -12.506 1.00 0.00 C ATOM 123 CG2 VAL A 7 2.930 13.265 -11.126 1.00 0.00 C ATOM 0 H VAL A 7 1.302 11.756 -13.349 1.00 0.00 H new ATOM 0 HA VAL A 7 2.193 14.483 -13.863 1.00 0.00 H new ATOM 0 HB VAL A 7 4.281 12.750 -12.685 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.991 14.912 -11.711 1.00 0.00 H new ATOM 0 HG12 VAL A 7 4.736 15.027 -13.469 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.514 15.673 -12.348 1.00 0.00 H new ATOM 0 HG21 VAL A 7 3.705 13.321 -10.361 1.00 0.00 H new ATOM 0 HG22 VAL A 7 2.163 14.012 -10.921 1.00 0.00 H new ATOM 0 HG23 VAL A 7 2.481 12.272 -11.115 1.00 0.00 H new ATOM 133 N GLN A 8 4.366 12.955 -15.043 1.00 0.00 N ATOM 134 CA GLN A 8 5.051 12.331 -16.164 1.00 0.00 C ATOM 135 C GLN A 8 5.654 10.997 -15.746 1.00 0.00 C ATOM 136 O GLN A 8 6.689 10.579 -16.267 1.00 0.00 O ATOM 137 CB GLN A 8 6.144 13.259 -16.692 1.00 0.00 C ATOM 138 CG GLN A 8 7.178 13.627 -15.642 1.00 0.00 C ATOM 139 CD GLN A 8 8.219 14.596 -16.165 1.00 0.00 C ATOM 140 OE1 GLN A 8 8.052 15.813 -16.075 1.00 0.00 O ATOM 141 NE2 GLN A 8 9.304 14.061 -16.713 1.00 0.00 N ATOM 0 H GLN A 8 4.962 13.536 -14.453 1.00 0.00 H new ATOM 0 HA GLN A 8 4.325 12.150 -16.957 1.00 0.00 H new ATOM 0 HB2 GLN A 8 6.645 12.778 -17.532 1.00 0.00 H new ATOM 0 HB3 GLN A 8 5.684 14.170 -17.074 1.00 0.00 H new ATOM 0 HG2 GLN A 8 6.675 14.069 -14.781 1.00 0.00 H new ATOM 0 HG3 GLN A 8 7.673 12.721 -15.292 1.00 0.00 H new ATOM 0 HE21 GLN A 8 9.401 13.047 -16.767 1.00 0.00 H new ATOM 0 HE22 GLN A 8 10.040 14.664 -17.080 1.00 0.00 H new ATOM 150 N TRP A 9 4.997 10.334 -14.803 1.00 0.00 N ATOM 151 CA TRP A 9 5.474 9.044 -14.306 1.00 0.00 C ATOM 152 C TRP A 9 4.316 8.127 -13.948 1.00 0.00 C ATOM 153 O TRP A 9 3.177 8.323 -14.373 1.00 0.00 O ATOM 154 CB TRP A 9 6.343 9.239 -13.051 1.00 0.00 C ATOM 155 CG TRP A 9 5.568 9.678 -11.837 1.00 0.00 C ATOM 156 CD1 TRP A 9 4.343 10.276 -11.815 1.00 0.00 C ATOM 157 CD2 TRP A 9 5.971 9.549 -10.470 1.00 0.00 C ATOM 158 NE1 TRP A 9 3.961 10.529 -10.522 1.00 0.00 N ATOM 159 CE2 TRP A 9 4.945 10.094 -9.677 1.00 0.00 C ATOM 160 CE3 TRP A 9 7.100 9.028 -9.840 1.00 0.00 C ATOM 161 CZ2 TRP A 9 5.014 10.133 -8.288 1.00 0.00 C ATOM 162 CZ3 TRP A 9 7.169 9.066 -8.460 1.00 0.00 C ATOM 163 CH2 TRP A 9 6.132 9.616 -7.698 1.00 0.00 C ATOM 0 H TRP A 9 4.136 10.664 -14.367 1.00 0.00 H new ATOM 0 HA TRP A 9 6.061 8.589 -15.104 1.00 0.00 H new ATOM 0 HB2 TRP A 9 6.854 8.303 -12.825 1.00 0.00 H new ATOM 0 HB3 TRP A 9 7.114 9.979 -13.266 1.00 0.00 H new ATOM 0 HD1 TRP A 9 3.757 10.516 -12.690 1.00 0.00 H new ATOM 0 HE1 TRP A 9 3.086 10.969 -10.237 1.00 0.00 H new ATOM 0 HE3 TRP A 9 7.906 8.602 -10.419 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 4.214 10.556 -7.699 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 8.038 8.664 -7.961 1.00 0.00 H new ATOM 0 HH2 TRP A 9 6.218 9.632 -6.622 1.00 0.00 H new ATOM 174 N CYS A 10 4.645 7.124 -13.153 1.00 0.00 N ATOM 175 CA CYS A 10 3.686 6.174 -12.646 1.00 0.00 C ATOM 176 C CYS A 10 3.843 6.146 -11.148 1.00 0.00 C ATOM 177 O CYS A 10 4.861 5.682 -10.645 1.00 0.00 O ATOM 178 CB CYS A 10 3.900 4.786 -13.248 1.00 0.00 C ATOM 179 SG CYS A 10 3.392 3.418 -12.155 1.00 0.00 S ATOM 0 H CYS A 10 5.600 6.949 -12.841 1.00 0.00 H new ATOM 0 HA CYS A 10 2.675 6.472 -12.923 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.343 4.717 -14.183 1.00 0.00 H new ATOM 0 HB3 CYS A 10 4.955 4.667 -13.496 1.00 0.00 H new ATOM 184 N ALA A 11 2.833 6.668 -10.463 1.00 0.00 N ATOM 185 CA ALA A 11 2.823 6.776 -9.008 1.00 0.00 C ATOM 186 C ALA A 11 3.356 5.526 -8.332 1.00 0.00 C ATOM 187 O ALA A 11 2.607 4.735 -7.762 1.00 0.00 O ATOM 188 CB ALA A 11 1.416 7.082 -8.530 1.00 0.00 C ATOM 0 H ALA A 11 1.989 7.032 -10.906 1.00 0.00 H new ATOM 0 HA ALA A 11 3.490 7.592 -8.730 1.00 0.00 H new ATOM 0 HB1 ALA A 11 1.410 7.162 -7.443 1.00 0.00 H new ATOM 0 HB2 ALA A 11 1.081 8.023 -8.965 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.745 6.280 -8.838 1.00 0.00 H new ATOM 194 N VAL A 12 4.668 5.367 -8.409 1.00 0.00 N ATOM 195 CA VAL A 12 5.350 4.231 -7.801 1.00 0.00 C ATOM 196 C VAL A 12 5.215 4.263 -6.278 1.00 0.00 C ATOM 197 O VAL A 12 5.378 3.243 -5.607 1.00 0.00 O ATOM 198 CB VAL A 12 6.842 4.222 -8.194 1.00 0.00 C ATOM 199 CG1 VAL A 12 7.468 5.585 -7.936 1.00 0.00 C ATOM 200 CG2 VAL A 12 7.600 3.129 -7.452 1.00 0.00 C ATOM 0 H VAL A 12 5.289 6.017 -8.891 1.00 0.00 H new ATOM 0 HA VAL A 12 4.879 3.321 -8.172 1.00 0.00 H new ATOM 0 HB VAL A 12 6.910 4.007 -9.260 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.520 5.561 -8.219 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.951 6.341 -8.527 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.382 5.830 -6.877 1.00 0.00 H new ATOM 0 HG21 VAL A 12 8.648 3.147 -7.749 1.00 0.00 H new ATOM 0 HG22 VAL A 12 7.524 3.299 -6.378 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.170 2.158 -7.697 1.00 0.00 H new ATOM 210 N SER A 13 4.898 5.436 -5.741 1.00 0.00 N ATOM 211 CA SER A 13 4.744 5.607 -4.300 1.00 0.00 C ATOM 212 C SER A 13 3.513 4.871 -3.773 1.00 0.00 C ATOM 213 O SER A 13 3.301 4.793 -2.563 1.00 0.00 O ATOM 214 CB SER A 13 4.647 7.092 -3.950 1.00 0.00 C ATOM 215 OG SER A 13 5.815 7.790 -4.350 1.00 0.00 O ATOM 0 H SER A 13 4.742 6.286 -6.284 1.00 0.00 H new ATOM 0 HA SER A 13 5.625 5.177 -3.823 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.775 7.527 -4.438 1.00 0.00 H new ATOM 0 HB3 SER A 13 4.502 7.207 -2.876 1.00 0.00 H new ATOM 0 HG SER A 13 5.726 8.738 -4.116 1.00 0.00 H new ATOM 221 N GLN A 14 2.701 4.336 -4.680 1.00 0.00 N ATOM 222 CA GLN A 14 1.494 3.612 -4.288 1.00 0.00 C ATOM 223 C GLN A 14 1.850 2.308 -3.570 1.00 0.00 C ATOM 224 O GLN A 14 2.725 1.570 -4.019 1.00 0.00 O ATOM 225 CB GLN A 14 0.630 3.313 -5.515 1.00 0.00 C ATOM 226 CG GLN A 14 1.312 2.422 -6.540 1.00 0.00 C ATOM 227 CD GLN A 14 0.621 2.455 -7.889 1.00 0.00 C ATOM 228 OE1 GLN A 14 -0.599 2.606 -7.971 1.00 0.00 O ATOM 229 NE2 GLN A 14 1.399 2.326 -8.958 1.00 0.00 N ATOM 0 H GLN A 14 2.855 4.389 -5.687 1.00 0.00 H new ATOM 0 HA GLN A 14 0.929 4.243 -3.601 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.295 2.836 -5.190 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.353 4.254 -5.991 1.00 0.00 H new ATOM 0 HG2 GLN A 14 2.349 2.738 -6.659 1.00 0.00 H new ATOM 0 HG3 GLN A 14 1.331 1.397 -6.170 1.00 0.00 H new ATOM 0 HE21 GLN A 14 2.405 2.203 -8.845 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.990 2.350 -9.892 1.00 0.00 H new ATOM 238 N PRO A 15 1.176 2.003 -2.443 1.00 0.00 N ATOM 239 CA PRO A 15 1.438 0.787 -1.675 1.00 0.00 C ATOM 240 C PRO A 15 0.712 -0.432 -2.238 1.00 0.00 C ATOM 241 O PRO A 15 -0.179 -0.987 -1.594 1.00 0.00 O ATOM 242 CB PRO A 15 0.899 1.142 -0.291 1.00 0.00 C ATOM 243 CG PRO A 15 -0.234 2.073 -0.559 1.00 0.00 C ATOM 244 CD PRO A 15 0.109 2.819 -1.827 1.00 0.00 C ATOM 0 HA PRO A 15 2.492 0.509 -1.688 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.564 0.254 0.244 1.00 0.00 H new ATOM 0 HB3 PRO A 15 1.665 1.615 0.324 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.168 1.523 -0.674 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -0.372 2.765 0.272 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.756 2.908 -2.485 1.00 0.00 H new ATOM 0 HD3 PRO A 15 0.453 3.831 -1.614 1.00 0.00 H new ATOM 252 N GLU A 16 1.100 -0.847 -3.442 1.00 0.00 N ATOM 253 CA GLU A 16 0.483 -2.001 -4.085 1.00 0.00 C ATOM 254 C GLU A 16 1.239 -2.391 -5.353 1.00 0.00 C ATOM 255 O GLU A 16 1.719 -3.517 -5.478 1.00 0.00 O ATOM 256 CB GLU A 16 -0.982 -1.702 -4.413 1.00 0.00 C ATOM 257 CG GLU A 16 -1.805 -2.936 -4.757 1.00 0.00 C ATOM 258 CD GLU A 16 -1.468 -3.509 -6.119 1.00 0.00 C ATOM 259 OE1 GLU A 16 -1.946 -2.955 -7.131 1.00 0.00 O ATOM 260 OE2 GLU A 16 -0.726 -4.512 -6.174 1.00 0.00 O ATOM 0 H GLU A 16 1.837 -0.402 -3.989 1.00 0.00 H new ATOM 0 HA GLU A 16 0.528 -2.841 -3.392 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.439 -1.199 -3.561 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.021 -1.007 -5.252 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.641 -3.699 -3.997 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.864 -2.680 -4.728 1.00 0.00 H new ATOM 267 N ALA A 17 1.339 -1.454 -6.294 1.00 0.00 N ATOM 268 CA ALA A 17 2.036 -1.710 -7.550 1.00 0.00 C ATOM 269 C ALA A 17 3.546 -1.676 -7.362 1.00 0.00 C ATOM 270 O ALA A 17 4.307 -1.762 -8.325 1.00 0.00 O ATOM 271 CB ALA A 17 1.606 -0.710 -8.611 1.00 0.00 C ATOM 0 H ALA A 17 0.948 -0.516 -6.210 1.00 0.00 H new ATOM 0 HA ALA A 17 1.765 -2.711 -7.885 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.136 -0.916 -9.541 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.532 -0.796 -8.778 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.841 0.300 -8.276 1.00 0.00 H new ATOM 277 N THR A 18 3.968 -1.548 -6.113 1.00 0.00 N ATOM 278 CA THR A 18 5.384 -1.516 -5.778 1.00 0.00 C ATOM 279 C THR A 18 5.652 -2.390 -4.561 1.00 0.00 C ATOM 280 O THR A 18 6.761 -2.889 -4.369 1.00 0.00 O ATOM 281 CB THR A 18 5.882 -0.081 -5.497 1.00 0.00 C ATOM 282 OG1 THR A 18 7.310 -0.033 -5.591 1.00 0.00 O ATOM 283 CG2 THR A 18 5.453 0.389 -4.115 1.00 0.00 C ATOM 0 H THR A 18 3.345 -1.464 -5.310 1.00 0.00 H new ATOM 0 HA THR A 18 5.929 -1.898 -6.641 1.00 0.00 H new ATOM 0 HB THR A 18 5.439 0.580 -6.242 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.619 0.880 -5.413 1.00 0.00 H new ATOM 0 HG21 THR A 18 5.818 1.402 -3.946 1.00 0.00 H new ATOM 0 HG22 THR A 18 4.365 0.379 -4.049 1.00 0.00 H new ATOM 0 HG23 THR A 18 5.868 -0.277 -3.359 1.00 0.00 H new ATOM 291 N LYS A 19 4.619 -2.570 -3.741 1.00 0.00 N ATOM 292 CA LYS A 19 4.728 -3.390 -2.545 1.00 0.00 C ATOM 293 C LYS A 19 4.976 -4.840 -2.916 1.00 0.00 C ATOM 294 O LYS A 19 5.552 -5.590 -2.139 1.00 0.00 O ATOM 295 CB LYS A 19 3.452 -3.305 -1.708 1.00 0.00 C ATOM 296 CG LYS A 19 3.459 -4.235 -0.501 1.00 0.00 C ATOM 297 CD LYS A 19 2.049 -4.642 -0.107 1.00 0.00 C ATOM 298 CE LYS A 19 2.007 -5.230 1.295 1.00 0.00 C ATOM 299 NZ LYS A 19 2.454 -4.247 2.321 1.00 0.00 N ATOM 0 H LYS A 19 3.698 -2.157 -3.886 1.00 0.00 H new ATOM 0 HA LYS A 19 5.567 -3.012 -1.961 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.318 -2.279 -1.366 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.596 -3.546 -2.338 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.046 -5.125 -0.729 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.945 -3.739 0.340 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.392 -3.774 -0.158 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.668 -5.373 -0.820 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.992 -5.556 1.522 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.643 -6.114 1.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.062 -4.510 3.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.493 -4.246 2.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.120 -3.297 2.061 1.00 0.00 H new ATOM 313 N CYS A 20 4.536 -5.222 -4.109 1.00 0.00 N ATOM 314 CA CYS A 20 4.693 -6.591 -4.579 1.00 0.00 C ATOM 315 C CYS A 20 6.095 -7.112 -4.288 1.00 0.00 C ATOM 316 O CYS A 20 7.030 -6.867 -5.050 1.00 0.00 O ATOM 317 CB CYS A 20 4.406 -6.671 -6.077 1.00 0.00 C ATOM 318 SG CYS A 20 3.999 -8.344 -6.664 1.00 0.00 S ATOM 0 H CYS A 20 4.067 -4.601 -4.769 1.00 0.00 H new ATOM 0 HA CYS A 20 3.978 -7.216 -4.044 1.00 0.00 H new ATOM 0 HB2 CYS A 20 3.578 -6.003 -6.314 1.00 0.00 H new ATOM 0 HB3 CYS A 20 5.276 -6.307 -6.623 1.00 0.00 H new ATOM 323 N PHE A 21 6.233 -7.821 -3.170 1.00 0.00 N ATOM 324 CA PHE A 21 7.516 -8.384 -2.772 1.00 0.00 C ATOM 325 C PHE A 21 7.327 -9.724 -2.051 1.00 0.00 C ATOM 326 O PHE A 21 6.739 -10.649 -2.608 1.00 0.00 O ATOM 327 CB PHE A 21 8.297 -7.379 -1.912 1.00 0.00 C ATOM 328 CG PHE A 21 7.612 -6.894 -0.646 1.00 0.00 C ATOM 329 CD1 PHE A 21 6.437 -7.470 -0.172 1.00 0.00 C ATOM 330 CD2 PHE A 21 8.163 -5.841 0.071 1.00 0.00 C ATOM 331 CE1 PHE A 21 5.835 -7.009 0.982 1.00 0.00 C ATOM 332 CE2 PHE A 21 7.563 -5.377 1.227 1.00 0.00 C ATOM 333 CZ PHE A 21 6.399 -5.961 1.683 1.00 0.00 C ATOM 0 H PHE A 21 5.469 -8.018 -2.524 1.00 0.00 H new ATOM 0 HA PHE A 21 8.103 -8.582 -3.669 1.00 0.00 H new ATOM 0 HB2 PHE A 21 9.247 -7.835 -1.633 1.00 0.00 H new ATOM 0 HB3 PHE A 21 8.529 -6.511 -2.528 1.00 0.00 H new ATOM 0 HD1 PHE A 21 5.990 -8.290 -0.715 1.00 0.00 H new ATOM 0 HD2 PHE A 21 9.073 -5.377 -0.279 1.00 0.00 H new ATOM 0 HE1 PHE A 21 4.924 -7.468 1.336 1.00 0.00 H new ATOM 0 HE2 PHE A 21 8.006 -4.557 1.773 1.00 0.00 H new ATOM 0 HZ PHE A 21 5.930 -5.599 2.586 1.00 0.00 H new ATOM 343 N GLN A 22 7.837 -9.840 -0.823 1.00 0.00 N ATOM 344 CA GLN A 22 7.669 -11.065 -0.054 1.00 0.00 C ATOM 345 C GLN A 22 6.679 -10.829 1.063 1.00 0.00 C ATOM 346 O GLN A 22 6.978 -10.162 2.055 1.00 0.00 O ATOM 347 CB GLN A 22 8.983 -11.566 0.536 1.00 0.00 C ATOM 348 CG GLN A 22 8.872 -12.950 1.174 1.00 0.00 C ATOM 349 CD GLN A 22 9.811 -13.123 2.353 1.00 0.00 C ATOM 350 OE1 GLN A 22 10.132 -12.163 3.052 1.00 0.00 O ATOM 351 NE2 GLN A 22 10.256 -14.353 2.579 1.00 0.00 N ATOM 0 H GLN A 22 8.363 -9.107 -0.348 1.00 0.00 H new ATOM 0 HA GLN A 22 7.301 -11.830 -0.738 1.00 0.00 H new ATOM 0 HB2 GLN A 22 9.738 -11.596 -0.250 1.00 0.00 H new ATOM 0 HB3 GLN A 22 9.331 -10.855 1.286 1.00 0.00 H new ATOM 0 HG2 GLN A 22 7.846 -13.113 1.504 1.00 0.00 H new ATOM 0 HG3 GLN A 22 9.091 -13.711 0.425 1.00 0.00 H new ATOM 0 HE21 GLN A 22 9.964 -15.120 1.974 1.00 0.00 H new ATOM 0 HE22 GLN A 22 10.890 -14.531 3.358 1.00 0.00 H new ATOM 360 N TRP A 23 5.503 -11.381 0.887 1.00 0.00 N ATOM 361 CA TRP A 23 4.442 -11.238 1.854 1.00 0.00 C ATOM 362 C TRP A 23 4.242 -12.544 2.608 1.00 0.00 C ATOM 363 O TRP A 23 4.845 -12.772 3.657 1.00 0.00 O ATOM 364 CB TRP A 23 3.157 -10.840 1.134 1.00 0.00 C ATOM 365 CG TRP A 23 3.386 -10.272 -0.234 1.00 0.00 C ATOM 366 CD1 TRP A 23 3.371 -8.963 -0.607 1.00 0.00 C ATOM 367 CD2 TRP A 23 3.672 -11.012 -1.415 1.00 0.00 C ATOM 368 NE1 TRP A 23 3.592 -8.847 -1.951 1.00 0.00 N ATOM 369 CE2 TRP A 23 3.785 -10.093 -2.468 1.00 0.00 C ATOM 370 CE3 TRP A 23 3.837 -12.363 -1.683 1.00 0.00 C ATOM 371 CZ2 TRP A 23 4.048 -10.488 -3.766 1.00 0.00 C ATOM 372 CZ3 TRP A 23 4.103 -12.748 -2.976 1.00 0.00 C ATOM 373 CH2 TRP A 23 4.205 -11.822 -3.999 1.00 0.00 C ATOM 0 H TRP A 23 5.255 -11.941 0.071 1.00 0.00 H new ATOM 0 HA TRP A 23 4.707 -10.463 2.573 1.00 0.00 H new ATOM 0 HB2 TRP A 23 2.511 -11.714 1.052 1.00 0.00 H new ATOM 0 HB3 TRP A 23 2.624 -10.106 1.738 1.00 0.00 H new ATOM 0 HD1 TRP A 23 3.208 -8.133 0.064 1.00 0.00 H new ATOM 0 HE1 TRP A 23 3.610 -7.974 -2.478 1.00 0.00 H new ATOM 0 HE3 TRP A 23 3.758 -13.096 -0.894 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 4.126 -9.767 -4.566 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 4.235 -13.797 -3.198 1.00 0.00 H new ATOM 0 HH2 TRP A 23 4.413 -12.163 -5.002 1.00 0.00 H new ATOM 384 N GLN A 24 3.389 -13.397 2.061 1.00 0.00 N ATOM 385 CA GLN A 24 3.100 -14.686 2.656 1.00 0.00 C ATOM 386 C GLN A 24 2.813 -15.711 1.574 1.00 0.00 C ATOM 387 O GLN A 24 2.452 -15.348 0.461 1.00 0.00 O ATOM 388 CB GLN A 24 1.891 -14.577 3.573 1.00 0.00 C ATOM 389 CG GLN A 24 0.612 -14.263 2.820 1.00 0.00 C ATOM 390 CD GLN A 24 -0.620 -14.786 3.532 1.00 0.00 C ATOM 391 OE1 GLN A 24 -1.004 -15.943 3.365 1.00 0.00 O ATOM 392 NE2 GLN A 24 -1.249 -13.932 4.331 1.00 0.00 N ATOM 0 H GLN A 24 2.881 -13.213 1.196 1.00 0.00 H new ATOM 0 HA GLN A 24 3.969 -15.003 3.233 1.00 0.00 H new ATOM 0 HB2 GLN A 24 1.767 -15.513 4.117 1.00 0.00 H new ATOM 0 HB3 GLN A 24 2.072 -13.799 4.315 1.00 0.00 H new ATOM 0 HG2 GLN A 24 0.524 -13.184 2.692 1.00 0.00 H new ATOM 0 HG3 GLN A 24 0.664 -14.699 1.822 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -0.896 -12.981 4.440 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -2.085 -14.227 4.835 1.00 0.00 H new ATOM 401 N ARG A 25 2.969 -16.981 1.907 1.00 0.00 N ATOM 402 CA ARG A 25 2.693 -18.067 0.962 1.00 0.00 C ATOM 403 C ARG A 25 1.393 -17.843 0.187 1.00 0.00 C ATOM 404 O ARG A 25 1.264 -18.289 -0.953 1.00 0.00 O ATOM 405 CB ARG A 25 2.620 -19.410 1.683 1.00 0.00 C ATOM 406 CG ARG A 25 1.616 -19.440 2.824 1.00 0.00 C ATOM 407 CD ARG A 25 2.269 -19.118 4.159 1.00 0.00 C ATOM 408 NE ARG A 25 1.437 -18.238 4.975 1.00 0.00 N ATOM 409 CZ ARG A 25 1.529 -18.153 6.299 1.00 0.00 C ATOM 410 NH1 ARG A 25 2.402 -18.904 6.957 1.00 0.00 N ATOM 411 NH2 ARG A 25 0.745 -17.317 6.967 1.00 0.00 N ATOM 0 H ARG A 25 3.286 -17.293 2.825 1.00 0.00 H new ATOM 0 HA ARG A 25 3.519 -18.075 0.251 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.360 -20.185 0.962 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.607 -19.656 2.074 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.820 -18.722 2.626 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.152 -20.425 2.874 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.460 -20.044 4.702 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.236 -18.645 3.985 1.00 0.00 H new ATOM 0 HE ARG A 25 0.746 -17.655 4.503 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.006 -19.549 6.448 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.470 -18.836 7.972 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.071 -16.739 6.465 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.816 -17.252 7.982 1.00 0.00 H new ATOM 425 N ASN A 26 0.437 -17.158 0.804 1.00 0.00 N ATOM 426 CA ASN A 26 -0.849 -16.890 0.155 1.00 0.00 C ATOM 427 C ASN A 26 -1.413 -15.526 0.548 1.00 0.00 C ATOM 428 O ASN A 26 -2.409 -15.439 1.267 1.00 0.00 O ATOM 429 CB ASN A 26 -1.857 -17.989 0.496 1.00 0.00 C ATOM 430 CG ASN A 26 -1.604 -19.264 -0.281 1.00 0.00 C ATOM 431 OD1 ASN A 26 -0.875 -20.146 0.171 1.00 0.00 O ATOM 432 ND2 ASN A 26 -2.207 -19.367 -1.461 1.00 0.00 N ATOM 0 H ASN A 26 0.523 -16.779 1.747 1.00 0.00 H new ATOM 0 HA ASN A 26 -0.674 -16.880 -0.921 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.811 -18.202 1.564 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -2.865 -17.632 0.285 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.074 -20.202 -2.031 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.803 -18.611 -1.797 1.00 0.00 H new ATOM 439 N MET A 27 -0.779 -14.463 0.062 1.00 0.00 N ATOM 440 CA MET A 27 -1.222 -13.106 0.363 1.00 0.00 C ATOM 441 C MET A 27 -2.506 -12.774 -0.387 1.00 0.00 C ATOM 442 O MET A 27 -3.537 -12.481 0.220 1.00 0.00 O ATOM 443 CB MET A 27 -0.131 -12.097 0.001 1.00 0.00 C ATOM 444 CG MET A 27 -0.463 -10.672 0.410 1.00 0.00 C ATOM 445 SD MET A 27 -0.719 -10.502 2.187 1.00 0.00 S ATOM 446 CE MET A 27 -1.148 -8.768 2.305 1.00 0.00 C ATOM 0 H MET A 27 0.042 -14.515 -0.541 1.00 0.00 H new ATOM 0 HA MET A 27 -1.421 -13.046 1.433 1.00 0.00 H new ATOM 0 HB2 MET A 27 0.802 -12.396 0.479 1.00 0.00 H new ATOM 0 HB3 MET A 27 0.038 -12.127 -1.075 1.00 0.00 H new ATOM 0 HG2 MET A 27 0.346 -10.011 0.098 1.00 0.00 H new ATOM 0 HG3 MET A 27 -1.361 -10.347 -0.115 1.00 0.00 H new ATOM 0 HE1 MET A 27 -1.336 -8.510 3.347 1.00 0.00 H new ATOM 0 HE2 MET A 27 -0.325 -8.163 1.924 1.00 0.00 H new ATOM 0 HE3 MET A 27 -2.044 -8.574 1.716 1.00 0.00 H new ATOM 456 N ARG A 28 -2.435 -12.823 -1.711 1.00 0.00 N ATOM 457 CA ARG A 28 -3.584 -12.529 -2.553 1.00 0.00 C ATOM 458 C ARG A 28 -3.647 -13.504 -3.722 1.00 0.00 C ATOM 459 O ARG A 28 -2.826 -14.415 -3.829 1.00 0.00 O ATOM 460 CB ARG A 28 -3.508 -11.090 -3.068 1.00 0.00 C ATOM 461 CG ARG A 28 -3.583 -10.047 -1.966 1.00 0.00 C ATOM 462 CD ARG A 28 -3.380 -8.642 -2.510 1.00 0.00 C ATOM 463 NE ARG A 28 -2.034 -8.454 -3.046 1.00 0.00 N ATOM 464 CZ ARG A 28 -1.570 -7.287 -3.484 1.00 0.00 C ATOM 465 NH1 ARG A 28 -2.340 -6.207 -3.451 1.00 0.00 N ATOM 466 NH2 ARG A 28 -0.333 -7.199 -3.954 1.00 0.00 N ATOM 0 H ARG A 28 -1.588 -13.065 -2.226 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.490 -12.641 -1.957 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.577 -10.958 -3.619 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.322 -10.921 -3.773 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.552 -10.109 -1.471 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.825 -10.259 -1.212 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.113 -8.446 -3.293 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.559 -7.916 -1.717 1.00 0.00 H new ATOM 0 HE ARG A 28 -1.415 -9.264 -3.087 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.291 -6.270 -3.089 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.980 -5.314 -3.788 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.263 -8.026 -3.980 1.00 0.00 H new ATOM 0 HH22 ARG A 28 0.022 -6.304 -4.290 1.00 0.00 H new ATOM 480 N LYS A 29 -4.626 -13.306 -4.592 1.00 0.00 N ATOM 481 CA LYS A 29 -4.799 -14.168 -5.756 1.00 0.00 C ATOM 482 C LYS A 29 -3.938 -13.691 -6.921 1.00 0.00 C ATOM 483 O LYS A 29 -4.444 -13.377 -7.999 1.00 0.00 O ATOM 484 CB LYS A 29 -6.272 -14.219 -6.166 1.00 0.00 C ATOM 485 CG LYS A 29 -7.108 -15.152 -5.303 1.00 0.00 C ATOM 486 CD LYS A 29 -6.833 -16.611 -5.632 1.00 0.00 C ATOM 487 CE LYS A 29 -7.645 -17.546 -4.748 1.00 0.00 C ATOM 488 NZ LYS A 29 -7.376 -18.977 -5.058 1.00 0.00 N ATOM 0 H LYS A 29 -5.314 -12.557 -4.516 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.476 -15.173 -5.486 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.691 -13.214 -6.113 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.341 -14.539 -7.206 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -6.891 -14.968 -4.251 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.166 -14.937 -5.453 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.072 -16.800 -6.679 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.771 -16.820 -5.505 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.410 -17.351 -3.702 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.707 -17.339 -4.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.949 -19.581 -4.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.624 -19.170 -6.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.367 -19.181 -4.907 1.00 0.00 H new ATOM 502 N VAL A 30 -2.630 -13.640 -6.688 1.00 0.00 N ATOM 503 CA VAL A 30 -1.679 -13.211 -7.707 1.00 0.00 C ATOM 504 C VAL A 30 -1.485 -14.318 -8.742 1.00 0.00 C ATOM 505 O VAL A 30 -2.239 -15.290 -8.761 1.00 0.00 O ATOM 506 CB VAL A 30 -0.315 -12.842 -7.076 1.00 0.00 C ATOM 507 CG1 VAL A 30 0.402 -11.786 -7.905 1.00 0.00 C ATOM 508 CG2 VAL A 30 -0.498 -12.364 -5.642 1.00 0.00 C ATOM 0 H VAL A 30 -2.203 -13.892 -5.797 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.084 -12.324 -8.195 1.00 0.00 H new ATOM 0 HB VAL A 30 0.304 -13.739 -7.064 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.358 -11.545 -7.439 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.575 -12.169 -8.911 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.212 -10.887 -7.959 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.473 -12.110 -5.217 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.141 -11.484 -5.631 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.957 -13.156 -5.050 1.00 0.00 H new ATOM 518 N ARG A 31 -0.482 -14.163 -9.603 1.00 0.00 N ATOM 519 CA ARG A 31 -0.194 -15.156 -10.638 1.00 0.00 C ATOM 520 C ARG A 31 -0.251 -16.568 -10.061 1.00 0.00 C ATOM 521 O ARG A 31 -0.928 -17.444 -10.599 1.00 0.00 O ATOM 522 CB ARG A 31 1.189 -14.905 -11.245 1.00 0.00 C ATOM 523 CG ARG A 31 1.392 -13.486 -11.752 1.00 0.00 C ATOM 524 CD ARG A 31 0.486 -13.173 -12.931 1.00 0.00 C ATOM 525 NE ARG A 31 0.807 -11.885 -13.540 1.00 0.00 N ATOM 526 CZ ARG A 31 -0.107 -11.009 -13.945 1.00 0.00 C ATOM 527 NH1 ARG A 31 -1.397 -11.276 -13.797 1.00 0.00 N ATOM 528 NH2 ARG A 31 0.269 -9.864 -14.498 1.00 0.00 N ATOM 0 H ARG A 31 0.146 -13.359 -9.605 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.951 -15.063 -11.417 1.00 0.00 H new ATOM 0 HB2 ARG A 31 1.949 -15.124 -10.495 1.00 0.00 H new ATOM 0 HB3 ARG A 31 1.345 -15.601 -12.070 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.195 -12.780 -10.945 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.433 -13.351 -12.047 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.579 -13.961 -13.679 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.552 -13.169 -12.599 1.00 0.00 H new ATOM 0 HE ARG A 31 1.790 -11.643 -13.662 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.690 -12.155 -13.371 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.096 -10.602 -14.109 1.00 0.00 H new ATOM 0 HH21 ARG A 31 1.261 -9.655 -14.613 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.433 -9.193 -14.808 1.00 0.00 H new ATOM 542 N GLY A 32 0.465 -16.774 -8.963 1.00 0.00 N ATOM 543 CA GLY A 32 0.486 -18.071 -8.315 1.00 0.00 C ATOM 544 C GLY A 32 0.583 -17.946 -6.807 1.00 0.00 C ATOM 545 O GLY A 32 0.056 -16.992 -6.236 1.00 0.00 O ATOM 0 H GLY A 32 1.035 -16.061 -8.507 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.417 -18.623 -8.577 1.00 0.00 H new ATOM 0 HA3 GLY A 32 1.332 -18.649 -8.687 1.00 0.00 H new ATOM 549 N PRO A 33 1.255 -18.893 -6.125 1.00 0.00 N ATOM 550 CA PRO A 33 1.411 -18.853 -4.671 1.00 0.00 C ATOM 551 C PRO A 33 2.349 -17.728 -4.239 1.00 0.00 C ATOM 552 O PRO A 33 3.553 -17.793 -4.489 1.00 0.00 O ATOM 553 CB PRO A 33 2.025 -20.220 -4.323 1.00 0.00 C ATOM 554 CG PRO A 33 1.906 -21.041 -5.564 1.00 0.00 C ATOM 555 CD PRO A 33 1.916 -20.067 -6.705 1.00 0.00 C ATOM 0 HA PRO A 33 0.464 -18.666 -4.165 1.00 0.00 H new ATOM 0 HB2 PRO A 33 3.067 -20.116 -4.020 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.497 -20.687 -3.492 1.00 0.00 H new ATOM 0 HG2 PRO A 33 2.733 -21.747 -5.646 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.986 -21.626 -5.558 1.00 0.00 H new ATOM 0 HD2 PRO A 33 2.929 -19.840 -7.036 1.00 0.00 H new ATOM 0 HD3 PRO A 33 1.376 -20.450 -7.571 1.00 0.00 H new ATOM 563 N PRO A 34 1.815 -16.677 -3.588 1.00 0.00 N ATOM 564 CA PRO A 34 2.620 -15.542 -3.134 1.00 0.00 C ATOM 565 C PRO A 34 3.793 -15.968 -2.257 1.00 0.00 C ATOM 566 O PRO A 34 3.618 -16.624 -1.241 1.00 0.00 O ATOM 567 CB PRO A 34 1.628 -14.675 -2.358 1.00 0.00 C ATOM 568 CG PRO A 34 0.310 -15.036 -2.927 1.00 0.00 C ATOM 569 CD PRO A 34 0.400 -16.507 -3.230 1.00 0.00 C ATOM 0 HA PRO A 34 3.084 -15.015 -3.968 1.00 0.00 H new ATOM 0 HB2 PRO A 34 1.670 -14.881 -1.288 1.00 0.00 H new ATOM 0 HB3 PRO A 34 1.841 -13.614 -2.487 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -0.494 -14.828 -2.221 1.00 0.00 H new ATOM 0 HG3 PRO A 34 0.099 -14.461 -3.828 1.00 0.00 H new ATOM 0 HD2 PRO A 34 0.124 -17.115 -2.369 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.262 -16.793 -4.047 1.00 0.00 H new ATOM 577 N VAL A 35 4.992 -15.606 -2.688 1.00 0.00 N ATOM 578 CA VAL A 35 6.210 -15.934 -1.963 1.00 0.00 C ATOM 579 C VAL A 35 7.256 -14.839 -2.158 1.00 0.00 C ATOM 580 O VAL A 35 7.734 -14.242 -1.196 1.00 0.00 O ATOM 581 CB VAL A 35 6.782 -17.303 -2.398 1.00 0.00 C ATOM 582 CG1 VAL A 35 6.873 -17.401 -3.914 1.00 0.00 C ATOM 583 CG2 VAL A 35 8.140 -17.549 -1.759 1.00 0.00 C ATOM 0 H VAL A 35 5.148 -15.079 -3.547 1.00 0.00 H new ATOM 0 HA VAL A 35 5.956 -16.001 -0.905 1.00 0.00 H new ATOM 0 HB VAL A 35 6.097 -18.077 -2.052 1.00 0.00 H new ATOM 0 HG11 VAL A 35 7.278 -18.374 -4.192 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.879 -17.285 -4.346 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.527 -16.614 -4.291 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.523 -18.518 -2.079 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.833 -16.766 -2.065 1.00 0.00 H new ATOM 0 HG23 VAL A 35 8.038 -17.540 -0.674 1.00 0.00 H new ATOM 593 N SER A 36 7.600 -14.582 -3.416 1.00 0.00 N ATOM 594 CA SER A 36 8.576 -13.557 -3.765 1.00 0.00 C ATOM 595 C SER A 36 8.192 -12.907 -5.088 1.00 0.00 C ATOM 596 O SER A 36 8.131 -13.575 -6.121 1.00 0.00 O ATOM 597 CB SER A 36 9.975 -14.167 -3.866 1.00 0.00 C ATOM 598 OG SER A 36 10.362 -14.759 -2.638 1.00 0.00 O ATOM 0 H SER A 36 7.211 -15.077 -4.219 1.00 0.00 H new ATOM 0 HA SER A 36 8.584 -12.798 -2.983 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.992 -14.917 -4.657 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.693 -13.395 -4.144 1.00 0.00 H new ATOM 0 HG SER A 36 11.259 -15.143 -2.728 1.00 0.00 H new ATOM 604 N CYS A 37 7.936 -11.602 -5.058 1.00 0.00 N ATOM 605 CA CYS A 37 7.541 -10.885 -6.265 1.00 0.00 C ATOM 606 C CYS A 37 8.748 -10.364 -7.036 1.00 0.00 C ATOM 607 O CYS A 37 9.161 -10.963 -8.030 1.00 0.00 O ATOM 608 CB CYS A 37 6.596 -9.730 -5.928 1.00 0.00 C ATOM 609 SG CYS A 37 5.759 -9.033 -7.388 1.00 0.00 S ATOM 0 H CYS A 37 7.994 -11.025 -4.219 1.00 0.00 H new ATOM 0 HA CYS A 37 7.017 -11.597 -6.903 1.00 0.00 H new ATOM 0 HB2 CYS A 37 5.845 -10.079 -5.220 1.00 0.00 H new ATOM 0 HB3 CYS A 37 7.161 -8.941 -5.431 1.00 0.00 H new ATOM 614 N ILE A 38 9.307 -9.247 -6.584 1.00 0.00 N ATOM 615 CA ILE A 38 10.454 -8.646 -7.248 1.00 0.00 C ATOM 616 C ILE A 38 11.570 -9.656 -7.480 1.00 0.00 C ATOM 617 O ILE A 38 12.214 -10.124 -6.541 1.00 0.00 O ATOM 618 CB ILE A 38 11.011 -7.457 -6.451 1.00 0.00 C ATOM 619 CG1 ILE A 38 9.954 -6.360 -6.317 1.00 0.00 C ATOM 620 CG2 ILE A 38 12.259 -6.915 -7.124 1.00 0.00 C ATOM 621 CD1 ILE A 38 9.411 -5.861 -7.641 1.00 0.00 C ATOM 0 H ILE A 38 8.983 -8.740 -5.760 1.00 0.00 H new ATOM 0 HA ILE A 38 10.093 -8.292 -8.214 1.00 0.00 H new ATOM 0 HB ILE A 38 11.276 -7.800 -5.451 1.00 0.00 H new ATOM 0 HG12 ILE A 38 9.127 -6.738 -5.716 1.00 0.00 H new ATOM 0 HG13 ILE A 38 10.385 -5.519 -5.773 1.00 0.00 H new ATOM 0 HG21 ILE A 38 12.645 -6.072 -6.550 1.00 0.00 H new ATOM 0 HG22 ILE A 38 13.016 -7.698 -7.172 1.00 0.00 H new ATOM 0 HG23 ILE A 38 12.014 -6.585 -8.133 1.00 0.00 H new ATOM 0 HD11 ILE A 38 8.667 -5.085 -7.460 1.00 0.00 H new ATOM 0 HD12 ILE A 38 10.226 -5.450 -8.237 1.00 0.00 H new ATOM 0 HD13 ILE A 38 8.949 -6.688 -8.180 1.00 0.00 H new ATOM 633 N LYS A 39 11.788 -9.980 -8.748 1.00 0.00 N ATOM 634 CA LYS A 39 12.823 -10.929 -9.141 1.00 0.00 C ATOM 635 C LYS A 39 13.430 -10.547 -10.488 1.00 0.00 C ATOM 636 O LYS A 39 14.244 -11.287 -11.041 1.00 0.00 O ATOM 637 CB LYS A 39 12.253 -12.348 -9.210 1.00 0.00 C ATOM 638 CG LYS A 39 11.955 -12.953 -7.848 1.00 0.00 C ATOM 639 CD LYS A 39 13.214 -13.066 -7.005 1.00 0.00 C ATOM 640 CE LYS A 39 12.931 -13.700 -5.654 1.00 0.00 C ATOM 641 NZ LYS A 39 12.404 -15.087 -5.790 1.00 0.00 N ATOM 0 H LYS A 39 11.256 -9.596 -9.529 1.00 0.00 H new ATOM 0 HA LYS A 39 13.608 -10.899 -8.386 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.337 -12.334 -9.800 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.961 -12.989 -9.736 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.221 -12.338 -7.328 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.511 -13.940 -7.976 1.00 0.00 H new ATOM 0 HD2 LYS A 39 13.956 -13.661 -7.538 1.00 0.00 H new ATOM 0 HD3 LYS A 39 13.644 -12.075 -6.859 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.846 -13.716 -5.062 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.210 -13.089 -5.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.368 -15.538 -4.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.447 -15.057 -6.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.029 -15.636 -6.415 1.00 0.00 H new ATOM 655 N ARG A 40 13.030 -9.391 -11.010 1.00 0.00 N ATOM 656 CA ARG A 40 13.532 -8.921 -12.297 1.00 0.00 C ATOM 657 C ARG A 40 14.282 -7.601 -12.144 1.00 0.00 C ATOM 658 O ARG A 40 15.456 -7.499 -12.500 1.00 0.00 O ATOM 659 CB ARG A 40 12.376 -8.756 -13.288 1.00 0.00 C ATOM 660 CG ARG A 40 12.795 -8.858 -14.749 1.00 0.00 C ATOM 661 CD ARG A 40 13.452 -7.578 -15.243 1.00 0.00 C ATOM 662 NE ARG A 40 12.513 -6.458 -15.274 1.00 0.00 N ATOM 663 CZ ARG A 40 12.570 -5.472 -16.165 1.00 0.00 C ATOM 664 NH1 ARG A 40 13.522 -5.463 -17.089 1.00 0.00 N ATOM 665 NH2 ARG A 40 11.675 -4.493 -16.131 1.00 0.00 N ATOM 0 H ARG A 40 12.361 -8.764 -10.563 1.00 0.00 H new ATOM 0 HA ARG A 40 14.228 -9.667 -12.681 1.00 0.00 H new ATOM 0 HB2 ARG A 40 11.623 -9.517 -13.082 1.00 0.00 H new ATOM 0 HB3 ARG A 40 11.904 -7.787 -13.122 1.00 0.00 H new ATOM 0 HG2 ARG A 40 13.487 -9.691 -14.871 1.00 0.00 H new ATOM 0 HG3 ARG A 40 11.921 -9.077 -15.363 1.00 0.00 H new ATOM 0 HD2 ARG A 40 14.293 -7.329 -14.596 1.00 0.00 H new ATOM 0 HD3 ARG A 40 13.856 -7.740 -16.242 1.00 0.00 H new ATOM 0 HE ARG A 40 11.773 -6.431 -14.573 1.00 0.00 H new ATOM 0 HH11 ARG A 40 14.212 -6.213 -17.117 1.00 0.00 H new ATOM 0 HH12 ARG A 40 13.564 -4.706 -17.771 1.00 0.00 H new ATOM 0 HH21 ARG A 40 10.942 -4.496 -15.421 1.00 0.00 H new ATOM 0 HH22 ARG A 40 11.720 -3.737 -16.815 1.00 0.00 H new ATOM 679 N ASP A 41 13.597 -6.593 -11.611 1.00 0.00 N ATOM 680 CA ASP A 41 14.202 -5.278 -11.422 1.00 0.00 C ATOM 681 C ASP A 41 14.184 -4.867 -9.952 1.00 0.00 C ATOM 682 O ASP A 41 13.127 -4.812 -9.323 1.00 0.00 O ATOM 683 CB ASP A 41 13.471 -4.233 -12.267 1.00 0.00 C ATOM 684 CG ASP A 41 12.002 -4.118 -11.905 1.00 0.00 C ATOM 685 OD1 ASP A 41 11.206 -4.957 -12.377 1.00 0.00 O ATOM 686 OD2 ASP A 41 11.649 -3.188 -11.150 1.00 0.00 O ATOM 0 H ASP A 41 12.627 -6.661 -11.304 1.00 0.00 H new ATOM 0 HA ASP A 41 15.241 -5.337 -11.745 1.00 0.00 H new ATOM 0 HB2 ASP A 41 13.951 -3.263 -12.136 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.563 -4.494 -13.321 1.00 0.00 H new ATOM 691 N SER A 42 15.366 -4.580 -9.415 1.00 0.00 N ATOM 692 CA SER A 42 15.500 -4.165 -8.022 1.00 0.00 C ATOM 693 C SER A 42 15.284 -2.656 -7.863 1.00 0.00 C ATOM 694 O SER A 42 14.570 -2.229 -6.954 1.00 0.00 O ATOM 695 CB SER A 42 16.875 -4.559 -7.475 1.00 0.00 C ATOM 696 OG SER A 42 17.048 -5.966 -7.492 1.00 0.00 O ATOM 0 H SER A 42 16.248 -4.627 -9.925 1.00 0.00 H new ATOM 0 HA SER A 42 14.728 -4.679 -7.449 1.00 0.00 H new ATOM 0 HB2 SER A 42 17.656 -4.086 -8.071 1.00 0.00 H new ATOM 0 HB3 SER A 42 16.984 -4.189 -6.456 1.00 0.00 H new ATOM 0 HG SER A 42 17.934 -6.191 -7.139 1.00 0.00 H new ATOM 702 N PRO A 43 15.900 -1.820 -8.731 1.00 0.00 N ATOM 703 CA PRO A 43 15.746 -0.360 -8.657 1.00 0.00 C ATOM 704 C PRO A 43 14.304 0.079 -8.896 1.00 0.00 C ATOM 705 O PRO A 43 13.366 -0.684 -8.666 1.00 0.00 O ATOM 706 CB PRO A 43 16.653 0.167 -9.778 1.00 0.00 C ATOM 707 CG PRO A 43 17.571 -0.961 -10.104 1.00 0.00 C ATOM 708 CD PRO A 43 16.792 -2.214 -9.836 1.00 0.00 C ATOM 0 HA PRO A 43 16.009 0.021 -7.670 1.00 0.00 H new ATOM 0 HB2 PRO A 43 16.069 0.464 -10.649 1.00 0.00 H new ATOM 0 HB3 PRO A 43 17.210 1.046 -9.453 1.00 0.00 H new ATOM 0 HG2 PRO A 43 17.892 -0.915 -11.145 1.00 0.00 H new ATOM 0 HG3 PRO A 43 18.471 -0.922 -9.491 1.00 0.00 H new ATOM 0 HD2 PRO A 43 16.230 -2.535 -10.713 1.00 0.00 H new ATOM 0 HD3 PRO A 43 17.443 -3.041 -9.554 1.00 0.00 H new ATOM 716 N ILE A 44 14.133 1.317 -9.356 1.00 0.00 N ATOM 717 CA ILE A 44 12.805 1.856 -9.629 1.00 0.00 C ATOM 718 C ILE A 44 11.992 0.891 -10.485 1.00 0.00 C ATOM 719 O ILE A 44 12.524 0.252 -11.394 1.00 0.00 O ATOM 720 CB ILE A 44 12.891 3.223 -10.340 1.00 0.00 C ATOM 721 CG1 ILE A 44 11.496 3.835 -10.495 1.00 0.00 C ATOM 722 CG2 ILE A 44 13.566 3.080 -11.696 1.00 0.00 C ATOM 723 CD1 ILE A 44 10.847 4.203 -9.176 1.00 0.00 C ATOM 0 H ILE A 44 14.898 1.964 -9.547 1.00 0.00 H new ATOM 0 HA ILE A 44 12.307 1.990 -8.669 1.00 0.00 H new ATOM 0 HB ILE A 44 13.494 3.892 -9.727 1.00 0.00 H new ATOM 0 HG12 ILE A 44 11.566 4.727 -11.117 1.00 0.00 H new ATOM 0 HG13 ILE A 44 10.855 3.129 -11.022 1.00 0.00 H new ATOM 0 HG21 ILE A 44 13.617 4.055 -12.182 1.00 0.00 H new ATOM 0 HG22 ILE A 44 14.574 2.688 -11.561 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.991 2.394 -12.318 1.00 0.00 H new ATOM 0 HD11 ILE A 44 9.862 4.631 -9.362 1.00 0.00 H new ATOM 0 HD12 ILE A 44 10.744 3.310 -8.559 1.00 0.00 H new ATOM 0 HD13 ILE A 44 11.467 4.933 -8.657 1.00 0.00 H new ATOM 735 N GLN A 45 10.701 0.783 -10.185 1.00 0.00 N ATOM 736 CA GLN A 45 9.818 -0.112 -10.923 1.00 0.00 C ATOM 737 C GLN A 45 9.146 0.619 -12.081 1.00 0.00 C ATOM 738 O GLN A 45 9.340 0.266 -13.244 1.00 0.00 O ATOM 739 CB GLN A 45 8.758 -0.705 -9.991 1.00 0.00 C ATOM 740 CG GLN A 45 8.144 -1.999 -10.504 1.00 0.00 C ATOM 741 CD GLN A 45 7.238 -1.793 -11.704 1.00 0.00 C ATOM 742 OE1 GLN A 45 6.552 -0.656 -11.743 1.00 0.00 O flip ATOM 743 NE2 GLN A 45 7.148 -2.651 -12.582 1.00 0.00 N flip ATOM 0 H GLN A 45 10.244 1.304 -9.437 1.00 0.00 H new ATOM 0 HA GLN A 45 10.423 -0.922 -11.331 1.00 0.00 H new ATOM 0 HB2 GLN A 45 9.208 -0.889 -9.015 1.00 0.00 H new ATOM 0 HB3 GLN A 45 7.966 0.029 -9.844 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.942 -2.691 -10.773 1.00 0.00 H new ATOM 0 HG3 GLN A 45 7.574 -2.467 -9.702 1.00 0.00 H new ATOM 0 HE21 GLN A 45 7.693 -3.510 -12.513 1.00 0.00 H new ATOM 0 HE22 GLN A 45 6.528 -2.503 -13.379 1.00 0.00 H new ATOM 752 N CYS A 46 8.354 1.637 -11.758 1.00 0.00 N ATOM 753 CA CYS A 46 7.657 2.411 -12.773 1.00 0.00 C ATOM 754 C CYS A 46 8.577 3.458 -13.393 1.00 0.00 C ATOM 755 O CYS A 46 9.791 3.428 -13.188 1.00 0.00 O ATOM 756 CB CYS A 46 6.416 3.075 -12.175 1.00 0.00 C ATOM 757 SG CYS A 46 4.902 2.070 -12.315 1.00 0.00 S ATOM 0 H CYS A 46 8.181 1.943 -10.801 1.00 0.00 H new ATOM 0 HA CYS A 46 7.343 1.729 -13.564 1.00 0.00 H new ATOM 0 HB2 CYS A 46 6.602 3.290 -11.123 1.00 0.00 H new ATOM 0 HB3 CYS A 46 6.253 4.032 -12.671 1.00 0.00 H new ATOM 762 N ILE A 47 7.991 4.379 -14.154 1.00 0.00 N ATOM 763 CA ILE A 47 8.756 5.433 -14.814 1.00 0.00 C ATOM 764 C ILE A 47 9.684 6.147 -13.833 1.00 0.00 C ATOM 765 O ILE A 47 9.343 6.339 -12.666 1.00 0.00 O ATOM 766 CB ILE A 47 7.826 6.469 -15.474 1.00 0.00 C ATOM 767 CG1 ILE A 47 6.831 5.769 -16.404 1.00 0.00 C ATOM 768 CG2 ILE A 47 8.644 7.501 -16.242 1.00 0.00 C ATOM 769 CD1 ILE A 47 5.795 6.699 -17.000 1.00 0.00 C ATOM 0 H ILE A 47 6.987 4.416 -14.329 1.00 0.00 H new ATOM 0 HA ILE A 47 9.357 4.950 -15.584 1.00 0.00 H new ATOM 0 HB ILE A 47 7.266 6.986 -14.695 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.381 5.286 -17.212 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.322 4.981 -15.849 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.974 8.227 -16.703 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.318 8.014 -15.556 1.00 0.00 H new ATOM 0 HG23 ILE A 47 9.226 7.001 -17.016 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.126 6.132 -17.647 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.219 7.163 -16.199 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.294 7.473 -17.583 1.00 0.00 H new ATOM 781 N GLN A 48 10.860 6.535 -14.321 1.00 0.00 N ATOM 782 CA GLN A 48 11.844 7.228 -13.498 1.00 0.00 C ATOM 783 C GLN A 48 11.318 8.589 -13.052 1.00 0.00 C ATOM 784 O GLN A 48 10.719 9.321 -13.839 1.00 0.00 O ATOM 785 CB GLN A 48 13.153 7.402 -14.271 1.00 0.00 C ATOM 786 CG GLN A 48 12.981 8.114 -15.603 1.00 0.00 C ATOM 787 CD GLN A 48 14.284 8.246 -16.368 1.00 0.00 C ATOM 788 OE1 GLN A 48 15.359 8.330 -15.775 1.00 0.00 O ATOM 789 NE2 GLN A 48 14.193 8.263 -17.693 1.00 0.00 N ATOM 0 H GLN A 48 11.154 6.380 -15.285 1.00 0.00 H new ATOM 0 HA GLN A 48 12.031 6.623 -12.611 1.00 0.00 H new ATOM 0 HB2 GLN A 48 13.857 7.963 -13.656 1.00 0.00 H new ATOM 0 HB3 GLN A 48 13.595 6.421 -14.447 1.00 0.00 H new ATOM 0 HG2 GLN A 48 12.261 7.568 -16.212 1.00 0.00 H new ATOM 0 HG3 GLN A 48 12.564 9.106 -15.429 1.00 0.00 H new ATOM 0 HE21 GLN A 48 13.280 8.191 -18.142 1.00 0.00 H new ATOM 0 HE22 GLN A 48 15.036 8.348 -18.261 1.00 0.00 H new ATOM 798 N ALA A 49 11.547 8.919 -11.785 1.00 0.00 N ATOM 799 CA ALA A 49 11.097 10.191 -11.233 1.00 0.00 C ATOM 800 C ALA A 49 12.078 11.311 -11.566 1.00 0.00 C ATOM 801 O ALA A 49 13.042 11.500 -10.794 1.00 0.00 O ATOM 802 CB ALA A 49 10.910 10.074 -9.729 1.00 0.00 C ATOM 803 OXT ALA A 49 11.874 11.989 -12.594 1.00 0.00 O ATOM 0 H ALA A 49 12.042 8.323 -11.121 1.00 0.00 H new ATOM 0 HA ALA A 49 10.138 10.440 -11.687 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.574 11.030 -9.329 1.00 0.00 H new ATOM 0 HB2 ALA A 49 10.165 9.308 -9.513 1.00 0.00 H new ATOM 0 HB3 ALA A 49 11.857 9.799 -9.265 1.00 0.00 H new TER 809 ALA A 49