USER MOD reduce.3.24.130724 H: found=0, std=0, add=258, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 264 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 CYS N :NH3+ 176:sc= 1.21 (180deg=1.16) USER MOD Single : A 1 CYS SG : rot 180:sc= -0.132 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -160:sc= 1.75 (180deg=1.27) USER MOD Single : A 17 TYR OH : rot -26:sc= 0.00195 USER MOD Single : A 22 TYR OH : rot 180:sc= 0.556 USER MOD Single : A 23 LYS NZ :NH3+ 170:sc= 0.592 (180deg=0.525) USER MOD Single : A 24 THR OG1 : rot 70:sc= 1.16 USER MOD Single : A 29 GLN : amide:sc= 0.861 K(o=0.86,f=-6.4!) USER MOD Single : A 31 SER OG : rot 74:sc= 1.16 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 4.111 -10.937 -22.309 1.00 0.00 N ATOM 2 CA CYS A 1 2.887 -11.641 -22.771 1.00 0.00 C ATOM 3 C CYS A 1 1.589 -11.030 -22.123 1.00 0.00 C ATOM 4 O CYS A 1 1.658 -10.043 -21.384 1.00 0.00 O ATOM 5 CB CYS A 1 3.142 -13.124 -22.409 1.00 0.00 C ATOM 6 SG CYS A 1 1.843 -14.203 -23.104 1.00 0.00 S ATOM 0 H1 CYS A 1 4.951 -11.407 -22.702 1.00 0.00 H new ATOM 0 H2 CYS A 1 4.085 -9.948 -22.631 1.00 0.00 H new ATOM 0 H3 CYS A 1 4.154 -10.962 -21.270 1.00 0.00 H new ATOM 0 HA CYS A 1 2.704 -11.533 -23.840 1.00 0.00 H new ATOM 0 HB2 CYS A 1 4.116 -13.432 -22.789 1.00 0.00 H new ATOM 0 HB3 CYS A 1 3.172 -13.237 -21.325 1.00 0.00 H new ATOM 0 HG CYS A 1 2.088 -15.439 -22.784 1.00 0.00 H new ATOM 14 N SER A 2 0.395 -11.558 -22.453 1.00 0.00 N ATOM 15 CA SER A 2 -0.891 -11.105 -21.836 1.00 0.00 C ATOM 16 C SER A 2 -1.405 -12.125 -20.768 1.00 0.00 C ATOM 17 O SER A 2 -1.452 -11.786 -19.584 1.00 0.00 O ATOM 18 CB SER A 2 -1.910 -10.849 -22.979 1.00 0.00 C ATOM 19 OG SER A 2 -1.503 -9.767 -23.819 1.00 0.00 O ATOM 0 H SER A 2 0.282 -12.300 -23.143 1.00 0.00 H new ATOM 0 HA SER A 2 -0.743 -10.175 -21.288 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.019 -11.753 -23.578 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.888 -10.629 -22.552 1.00 0.00 H new ATOM 0 HG SER A 2 -2.167 -9.636 -24.528 1.00 0.00 H new ATOM 25 N ILE A 3 -1.786 -13.352 -21.167 1.00 0.00 N ATOM 26 CA ILE A 3 -2.455 -14.340 -20.256 1.00 0.00 C ATOM 27 C ILE A 3 -1.448 -15.023 -19.257 1.00 0.00 C ATOM 28 O ILE A 3 -1.637 -14.902 -18.043 1.00 0.00 O ATOM 29 CB ILE A 3 -3.325 -15.305 -21.149 1.00 0.00 C ATOM 30 CG1 ILE A 3 -4.209 -16.271 -20.303 1.00 0.00 C ATOM 31 CG2 ILE A 3 -2.491 -16.184 -22.108 1.00 0.00 C ATOM 32 CD1 ILE A 3 -5.309 -15.586 -19.473 1.00 0.00 C ATOM 0 H ILE A 3 -1.648 -13.698 -22.116 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.138 -13.844 -19.566 1.00 0.00 H new ATOM 0 HB ILE A 3 -3.947 -14.622 -21.728 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -4.676 -16.992 -20.973 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -3.563 -16.834 -19.629 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.157 -16.821 -22.690 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -1.919 -15.546 -22.782 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.807 -16.806 -21.530 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -5.870 -16.339 -18.920 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -4.854 -14.886 -18.773 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -5.984 -15.047 -20.138 1.00 0.00 H new ATOM 44 N LEU A 4 -0.369 -15.675 -19.721 1.00 0.00 N ATOM 45 CA LEU A 4 0.688 -16.244 -18.830 1.00 0.00 C ATOM 46 C LEU A 4 1.768 -15.150 -18.523 1.00 0.00 C ATOM 47 O LEU A 4 2.885 -15.155 -19.051 1.00 0.00 O ATOM 48 CB LEU A 4 1.284 -17.511 -19.517 1.00 0.00 C ATOM 49 CG LEU A 4 0.330 -18.715 -19.755 1.00 0.00 C ATOM 50 CD1 LEU A 4 1.026 -19.794 -20.603 1.00 0.00 C ATOM 51 CD2 LEU A 4 -0.179 -19.354 -18.449 1.00 0.00 C ATOM 0 H LEU A 4 -0.194 -15.828 -20.714 1.00 0.00 H new ATOM 0 HA LEU A 4 0.272 -16.548 -17.869 1.00 0.00 H new ATOM 0 HB2 LEU A 4 1.692 -17.210 -20.482 1.00 0.00 H new ATOM 0 HB3 LEU A 4 2.121 -17.860 -18.912 1.00 0.00 H new ATOM 0 HG LEU A 4 -0.535 -18.314 -20.284 1.00 0.00 H new ATOM 0 HD11 LEU A 4 0.344 -20.630 -20.760 1.00 0.00 H new ATOM 0 HD12 LEU A 4 1.311 -19.372 -21.567 1.00 0.00 H new ATOM 0 HD13 LEU A 4 1.917 -20.146 -20.084 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -0.840 -20.188 -18.685 1.00 0.00 H new ATOM 0 HD22 LEU A 4 0.668 -19.716 -17.867 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -0.726 -18.611 -17.869 1.00 0.00 H new ATOM 63 N ASP A 5 1.378 -14.172 -17.685 1.00 0.00 N ATOM 64 CA ASP A 5 2.207 -12.961 -17.404 1.00 0.00 C ATOM 65 C ASP A 5 1.928 -12.289 -16.014 1.00 0.00 C ATOM 66 O ASP A 5 2.870 -11.803 -15.381 1.00 0.00 O ATOM 67 CB ASP A 5 1.960 -11.945 -18.559 1.00 0.00 C ATOM 68 CG ASP A 5 3.043 -10.878 -18.706 1.00 0.00 C ATOM 69 OD1 ASP A 5 3.988 -10.972 -19.488 1.00 0.00 O ATOM 70 OD2 ASP A 5 2.826 -9.804 -17.898 1.00 0.00 O ATOM 0 H ASP A 5 0.490 -14.187 -17.183 1.00 0.00 H new ATOM 0 HA ASP A 5 3.249 -13.277 -17.353 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.878 -12.494 -19.497 1.00 0.00 H new ATOM 0 HB3 ASP A 5 1.002 -11.452 -18.394 1.00 0.00 H new ATOM 76 N ILE A 6 0.665 -12.182 -15.560 1.00 0.00 N ATOM 77 CA ILE A 6 0.262 -11.233 -14.476 1.00 0.00 C ATOM 78 C ILE A 6 0.350 -11.987 -13.103 1.00 0.00 C ATOM 79 O ILE A 6 -0.630 -12.384 -12.469 1.00 0.00 O ATOM 80 CB ILE A 6 -1.151 -10.612 -14.770 1.00 0.00 C ATOM 81 CG1 ILE A 6 -1.218 -9.956 -16.188 1.00 0.00 C ATOM 82 CG2 ILE A 6 -1.452 -9.535 -13.688 1.00 0.00 C ATOM 83 CD1 ILE A 6 -2.541 -9.288 -16.573 1.00 0.00 C ATOM 0 H ILE A 6 -0.107 -12.741 -15.923 1.00 0.00 H new ATOM 0 HA ILE A 6 0.941 -10.381 -14.433 1.00 0.00 H new ATOM 0 HB ILE A 6 -1.891 -11.412 -14.743 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -0.427 -9.209 -16.255 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.996 -10.724 -16.929 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.430 -9.093 -13.877 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -1.448 -9.999 -12.702 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -0.689 -8.758 -13.726 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.460 -8.872 -17.577 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -3.342 -10.027 -16.550 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.764 -8.489 -15.866 1.00 0.00 H new ATOM 95 N ARG A 7 1.597 -12.075 -12.644 1.00 0.00 N ATOM 96 CA ARG A 7 1.970 -12.350 -11.249 1.00 0.00 C ATOM 97 C ARG A 7 2.906 -11.197 -10.742 1.00 0.00 C ATOM 98 O ARG A 7 4.117 -11.362 -10.568 1.00 0.00 O ATOM 99 CB ARG A 7 2.579 -13.783 -11.216 1.00 0.00 C ATOM 100 CG ARG A 7 2.940 -14.329 -9.807 1.00 0.00 C ATOM 101 CD ARG A 7 4.457 -14.356 -9.504 1.00 0.00 C ATOM 102 NE ARG A 7 4.728 -14.304 -8.038 1.00 0.00 N ATOM 103 CZ ARG A 7 4.800 -13.187 -7.305 1.00 0.00 C ATOM 104 NH1 ARG A 7 4.671 -11.982 -7.801 1.00 0.00 N ATOM 105 NH2 ARG A 7 5.002 -13.300 -6.025 1.00 0.00 N ATOM 0 H ARG A 7 2.408 -11.953 -13.251 1.00 0.00 H new ATOM 0 HA ARG A 7 1.129 -12.352 -10.556 1.00 0.00 H new ATOM 0 HB2 ARG A 7 1.871 -14.469 -11.681 1.00 0.00 H new ATOM 0 HB3 ARG A 7 3.480 -13.789 -11.830 1.00 0.00 H new ATOM 0 HG2 ARG A 7 2.442 -13.717 -9.055 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.544 -15.340 -9.709 1.00 0.00 H new ATOM 0 HD2 ARG A 7 4.896 -15.261 -9.923 1.00 0.00 H new ATOM 0 HD3 ARG A 7 4.941 -13.511 -9.994 1.00 0.00 H new ATOM 0 HE ARG A 7 4.870 -15.191 -7.556 1.00 0.00 H new ATOM 0 HH11 ARG A 7 4.505 -11.857 -8.800 1.00 0.00 H new ATOM 0 HH12 ARG A 7 4.736 -11.169 -7.189 1.00 0.00 H new ATOM 0 HH21 ARG A 7 5.101 -14.224 -5.604 1.00 0.00 H new ATOM 0 HH22 ARG A 7 5.061 -12.465 -5.442 1.00 0.00 H new ATOM 119 N GLN A 8 2.322 -10.010 -10.486 1.00 0.00 N ATOM 120 CA GLN A 8 3.093 -8.770 -10.195 1.00 0.00 C ATOM 121 C GLN A 8 3.777 -8.753 -8.781 1.00 0.00 C ATOM 122 O GLN A 8 3.226 -9.223 -7.779 1.00 0.00 O ATOM 123 CB GLN A 8 2.110 -7.567 -10.307 1.00 0.00 C ATOM 124 CG GLN A 8 1.651 -7.211 -11.747 1.00 0.00 C ATOM 125 CD GLN A 8 0.786 -5.950 -11.830 1.00 0.00 C ATOM 126 OE1 GLN A 8 1.276 -4.837 -11.983 1.00 0.00 O ATOM 127 NE2 GLN A 8 -0.517 -6.069 -11.738 1.00 0.00 N ATOM 0 H GLN A 8 1.311 -9.877 -10.473 1.00 0.00 H new ATOM 0 HA GLN A 8 3.907 -8.713 -10.917 1.00 0.00 H new ATOM 0 HB2 GLN A 8 1.227 -7.785 -9.706 1.00 0.00 H new ATOM 0 HB3 GLN A 8 2.585 -6.690 -9.869 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.531 -7.078 -12.376 1.00 0.00 H new ATOM 0 HG3 GLN A 8 1.091 -8.051 -12.157 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -0.937 -6.990 -11.611 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -1.110 -5.241 -11.794 1.00 0.00 H new ATOM 136 N GLY A 9 4.980 -8.157 -8.712 1.00 0.00 N ATOM 137 CA GLY A 9 5.638 -7.793 -7.426 1.00 0.00 C ATOM 138 C GLY A 9 5.773 -6.253 -7.274 1.00 0.00 C ATOM 139 O GLY A 9 6.826 -5.738 -7.664 1.00 0.00 O ATOM 0 H GLY A 9 5.528 -7.911 -9.536 1.00 0.00 H new ATOM 0 HA2 GLY A 9 5.059 -8.193 -6.593 1.00 0.00 H new ATOM 0 HA3 GLY A 9 6.625 -8.253 -7.378 1.00 0.00 H new ATOM 143 N PRO A 10 4.785 -5.476 -6.741 1.00 0.00 N ATOM 144 CA PRO A 10 4.734 -3.998 -6.953 1.00 0.00 C ATOM 145 C PRO A 10 5.700 -3.133 -6.073 1.00 0.00 C ATOM 146 O PRO A 10 6.219 -3.561 -5.036 1.00 0.00 O ATOM 147 CB PRO A 10 3.245 -3.698 -6.668 1.00 0.00 C ATOM 148 CG PRO A 10 2.784 -4.788 -5.700 1.00 0.00 C ATOM 149 CD PRO A 10 3.537 -6.028 -6.171 1.00 0.00 C ATOM 0 HA PRO A 10 5.085 -3.725 -7.948 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.122 -2.707 -6.230 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.659 -3.716 -7.587 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.030 -4.538 -4.668 1.00 0.00 H new ATOM 0 HG3 PRO A 10 1.705 -4.933 -5.744 1.00 0.00 H new ATOM 0 HD2 PRO A 10 3.740 -6.712 -5.347 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.968 -6.585 -6.915 1.00 0.00 H new ATOM 157 N LYS A 11 5.935 -1.890 -6.529 1.00 0.00 N ATOM 158 CA LYS A 11 6.549 -0.814 -5.695 1.00 0.00 C ATOM 159 C LYS A 11 5.672 0.479 -5.806 1.00 0.00 C ATOM 160 O LYS A 11 4.964 0.801 -4.850 1.00 0.00 O ATOM 161 CB LYS A 11 8.036 -0.570 -6.109 1.00 0.00 C ATOM 162 CG LYS A 11 9.042 -1.683 -5.717 1.00 0.00 C ATOM 163 CD LYS A 11 9.291 -2.731 -6.831 1.00 0.00 C ATOM 164 CE LYS A 11 9.831 -4.083 -6.321 1.00 0.00 C ATOM 165 NZ LYS A 11 8.705 -4.898 -5.785 1.00 0.00 N ATOM 0 H LYS A 11 5.710 -1.593 -7.479 1.00 0.00 H new ATOM 0 HA LYS A 11 6.572 -1.120 -4.649 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.074 -0.438 -7.190 1.00 0.00 H new ATOM 0 HB3 LYS A 11 8.368 0.367 -5.661 1.00 0.00 H new ATOM 0 HG2 LYS A 11 9.992 -1.221 -5.448 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.674 -2.194 -4.828 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.357 -2.904 -7.366 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.998 -2.318 -7.550 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.327 -4.617 -7.131 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.577 -3.919 -5.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.079 -5.632 -5.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.053 -4.284 -5.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.196 -5.348 -6.573 1.00 0.00 H new ATOM 179 N GLU A 12 5.673 1.197 -6.952 1.00 0.00 N ATOM 180 CA GLU A 12 4.848 2.426 -7.141 1.00 0.00 C ATOM 181 C GLU A 12 3.280 2.221 -7.211 1.00 0.00 C ATOM 182 O GLU A 12 2.621 3.171 -6.775 1.00 0.00 O ATOM 183 CB GLU A 12 5.390 3.181 -8.396 1.00 0.00 C ATOM 184 CG GLU A 12 5.259 2.596 -9.831 1.00 0.00 C ATOM 185 CD GLU A 12 6.292 1.528 -10.216 1.00 0.00 C ATOM 186 OE1 GLU A 12 6.357 0.414 -9.703 1.00 0.00 O ATOM 187 OE2 GLU A 12 7.139 1.954 -11.192 1.00 0.00 O ATOM 0 H GLU A 12 6.236 0.950 -7.766 1.00 0.00 H new ATOM 0 HA GLU A 12 4.962 3.018 -6.233 1.00 0.00 H new ATOM 0 HB2 GLU A 12 4.905 4.157 -8.409 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.452 3.355 -8.223 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.263 2.166 -9.938 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.330 3.417 -10.545 1.00 0.00 H new ATOM 195 N PRO A 13 2.597 1.101 -7.627 1.00 0.00 N ATOM 196 CA PRO A 13 1.144 0.885 -7.343 1.00 0.00 C ATOM 197 C PRO A 13 0.680 0.905 -5.850 1.00 0.00 C ATOM 198 O PRO A 13 -0.471 1.234 -5.585 1.00 0.00 O ATOM 199 CB PRO A 13 0.885 -0.511 -7.953 1.00 0.00 C ATOM 200 CG PRO A 13 1.981 -0.702 -8.997 1.00 0.00 C ATOM 201 CD PRO A 13 3.188 -0.049 -8.332 1.00 0.00 C ATOM 0 HA PRO A 13 0.577 1.719 -7.757 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.928 -1.288 -7.190 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.105 -0.565 -8.407 1.00 0.00 H new ATOM 0 HG2 PRO A 13 2.157 -1.756 -9.212 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.729 -0.221 -9.942 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.687 -0.731 -7.644 1.00 0.00 H new ATOM 0 HD3 PRO A 13 3.931 0.265 -9.065 1.00 0.00 H new ATOM 209 N PHE A 14 1.536 0.507 -4.894 1.00 0.00 N ATOM 210 CA PHE A 14 1.118 0.016 -3.550 1.00 0.00 C ATOM 211 C PHE A 14 0.426 1.035 -2.579 1.00 0.00 C ATOM 212 O PHE A 14 -0.234 0.593 -1.632 1.00 0.00 O ATOM 213 CB PHE A 14 2.447 -0.574 -2.977 1.00 0.00 C ATOM 214 CG PHE A 14 2.358 -1.473 -1.732 1.00 0.00 C ATOM 215 CD1 PHE A 14 1.583 -2.638 -1.746 1.00 0.00 C ATOM 216 CD2 PHE A 14 3.142 -1.188 -0.608 1.00 0.00 C ATOM 217 CE1 PHE A 14 1.564 -3.486 -0.641 1.00 0.00 C ATOM 218 CE2 PHE A 14 3.135 -2.045 0.491 1.00 0.00 C ATOM 219 CZ PHE A 14 2.341 -3.189 0.476 1.00 0.00 C ATOM 0 H PHE A 14 2.548 0.513 -5.023 1.00 0.00 H new ATOM 0 HA PHE A 14 0.300 -0.698 -3.650 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.927 -1.147 -3.770 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.108 0.260 -2.741 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.996 -2.881 -2.619 1.00 0.00 H new ATOM 0 HD2 PHE A 14 3.756 -0.299 -0.592 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.947 -4.373 -0.650 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.745 -1.822 1.354 1.00 0.00 H new ATOM 0 HZ PHE A 14 2.328 -3.847 1.332 1.00 0.00 H new ATOM 229 N ARG A 15 0.539 2.361 -2.769 1.00 0.00 N ATOM 230 CA ARG A 15 -0.287 3.383 -2.076 1.00 0.00 C ATOM 231 C ARG A 15 -1.451 4.023 -2.927 1.00 0.00 C ATOM 232 O ARG A 15 -2.287 4.723 -2.352 1.00 0.00 O ATOM 233 CB ARG A 15 0.709 4.468 -1.547 1.00 0.00 C ATOM 234 CG ARG A 15 1.247 4.362 -0.092 1.00 0.00 C ATOM 235 CD ARG A 15 2.165 3.174 0.264 1.00 0.00 C ATOM 236 NE ARG A 15 1.379 1.918 0.413 1.00 0.00 N ATOM 237 CZ ARG A 15 1.241 1.180 1.511 1.00 0.00 C ATOM 238 NH1 ARG A 15 1.749 1.492 2.676 1.00 0.00 N ATOM 239 NH2 ARG A 15 0.554 0.082 1.413 1.00 0.00 N ATOM 0 H ARG A 15 1.215 2.766 -3.417 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.834 2.889 -1.273 1.00 0.00 H new ATOM 0 HB2 ARG A 15 1.570 4.476 -2.215 1.00 0.00 H new ATOM 0 HB3 ARG A 15 0.220 5.437 -1.646 1.00 0.00 H new ATOM 0 HG2 ARG A 15 1.791 5.280 0.129 1.00 0.00 H new ATOM 0 HG3 ARG A 15 0.388 4.331 0.579 1.00 0.00 H new ATOM 0 HD2 ARG A 15 2.918 3.046 -0.514 1.00 0.00 H new ATOM 0 HD3 ARG A 15 2.697 3.386 1.191 1.00 0.00 H new ATOM 0 HE ARG A 15 0.892 1.587 -0.420 1.00 0.00 H new ATOM 0 HH11 ARG A 15 2.291 2.349 2.783 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.603 0.878 3.477 1.00 0.00 H new ATOM 0 HH21 ARG A 15 0.144 -0.185 0.518 1.00 0.00 H new ATOM 0 HH22 ARG A 15 0.424 -0.513 2.231 1.00 0.00 H new ATOM 253 N ASP A 16 -1.602 3.743 -4.232 1.00 0.00 N ATOM 254 CA ASP A 16 -2.925 3.699 -4.909 1.00 0.00 C ATOM 255 C ASP A 16 -3.700 2.332 -4.803 1.00 0.00 C ATOM 256 O ASP A 16 -4.882 2.274 -5.144 1.00 0.00 O ATOM 257 CB ASP A 16 -2.617 4.058 -6.385 1.00 0.00 C ATOM 258 CG ASP A 16 -3.836 4.250 -7.287 1.00 0.00 C ATOM 259 OD1 ASP A 16 -4.357 3.335 -7.920 1.00 0.00 O ATOM 260 OD2 ASP A 16 -4.296 5.531 -7.281 1.00 0.00 O ATOM 0 H ASP A 16 -0.818 3.540 -4.853 1.00 0.00 H new ATOM 0 HA ASP A 16 -3.607 4.393 -4.418 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.027 4.975 -6.402 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.994 3.270 -6.809 1.00 0.00 H new ATOM 266 N TYR A 17 -3.056 1.255 -4.334 1.00 0.00 N ATOM 267 CA TYR A 17 -3.717 0.026 -3.866 1.00 0.00 C ATOM 268 C TYR A 17 -4.244 0.270 -2.420 1.00 0.00 C ATOM 269 O TYR A 17 -5.441 0.094 -2.217 1.00 0.00 O ATOM 270 CB TYR A 17 -2.726 -1.178 -4.023 1.00 0.00 C ATOM 271 CG TYR A 17 -2.875 -2.354 -3.033 1.00 0.00 C ATOM 272 CD1 TYR A 17 -3.959 -3.231 -3.127 1.00 0.00 C ATOM 273 CD2 TYR A 17 -2.036 -2.421 -1.914 1.00 0.00 C ATOM 274 CE1 TYR A 17 -4.221 -4.134 -2.098 1.00 0.00 C ATOM 275 CE2 TYR A 17 -2.303 -3.319 -0.885 1.00 0.00 C ATOM 276 CZ TYR A 17 -3.403 -4.166 -0.970 1.00 0.00 C ATOM 277 OH TYR A 17 -3.713 -4.983 0.084 1.00 0.00 O ATOM 0 H TYR A 17 -2.039 1.211 -4.267 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.589 -0.236 -4.464 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.833 -1.573 -5.033 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.710 -0.792 -3.937 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -4.595 -3.209 -3.999 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.176 -1.771 -1.849 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -5.060 -4.810 -2.175 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -1.656 -3.358 -0.021 1.00 0.00 H new ATOM 0 HH TYR A 17 -4.679 -5.149 0.096 1.00 0.00 H new ATOM 287 N VAL A 18 -3.410 0.687 -1.443 1.00 0.00 N ATOM 288 CA VAL A 18 -3.878 0.918 -0.033 1.00 0.00 C ATOM 289 C VAL A 18 -5.160 1.762 0.162 1.00 0.00 C ATOM 290 O VAL A 18 -6.024 1.377 0.949 1.00 0.00 O ATOM 291 CB VAL A 18 -2.703 1.562 0.763 1.00 0.00 C ATOM 292 CG1 VAL A 18 -2.458 3.061 0.561 1.00 0.00 C ATOM 293 CG2 VAL A 18 -2.864 1.385 2.273 1.00 0.00 C ATOM 0 H VAL A 18 -2.418 0.873 -1.588 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.167 -0.066 0.335 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.856 1.018 0.345 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.613 3.377 1.173 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.239 3.256 -0.489 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.348 3.618 0.855 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.022 1.850 2.786 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.792 1.857 2.598 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.894 0.322 2.514 1.00 0.00 H new ATOM 303 N ASP A 19 -5.244 2.917 -0.501 1.00 0.00 N ATOM 304 CA ASP A 19 -6.343 3.875 -0.235 1.00 0.00 C ATOM 305 C ASP A 19 -7.725 3.415 -0.865 1.00 0.00 C ATOM 306 O ASP A 19 -8.814 3.662 -0.352 1.00 0.00 O ATOM 307 CB ASP A 19 -5.870 5.245 -0.742 1.00 0.00 C ATOM 308 CG ASP A 19 -6.741 6.425 -0.314 1.00 0.00 C ATOM 309 OD1 ASP A 19 -6.926 6.748 0.855 1.00 0.00 O ATOM 310 OD2 ASP A 19 -7.285 7.081 -1.376 1.00 0.00 O ATOM 0 H ASP A 19 -4.581 3.217 -1.216 1.00 0.00 H new ATOM 0 HA ASP A 19 -6.554 3.927 0.833 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -4.853 5.416 -0.388 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -5.829 5.219 -1.831 1.00 0.00 H new ATOM 316 N ARG A 20 -7.582 2.704 -1.982 1.00 0.00 N ATOM 317 CA ARG A 20 -8.576 1.926 -2.709 1.00 0.00 C ATOM 318 C ARG A 20 -8.998 0.575 -2.047 1.00 0.00 C ATOM 319 O ARG A 20 -10.186 0.257 -2.038 1.00 0.00 O ATOM 320 CB ARG A 20 -7.835 1.790 -4.068 1.00 0.00 C ATOM 321 CG ARG A 20 -8.653 1.130 -5.209 1.00 0.00 C ATOM 322 CD ARG A 20 -8.267 1.566 -6.638 1.00 0.00 C ATOM 323 NE ARG A 20 -6.831 1.313 -6.953 1.00 0.00 N ATOM 324 CZ ARG A 20 -6.352 0.413 -7.805 1.00 0.00 C ATOM 325 NH1 ARG A 20 -7.086 -0.494 -8.399 1.00 0.00 N ATOM 326 NH2 ARG A 20 -5.078 0.442 -8.055 1.00 0.00 N ATOM 0 H ARG A 20 -6.674 2.656 -2.445 1.00 0.00 H new ATOM 0 HA ARG A 20 -9.561 2.389 -2.762 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.524 2.783 -4.394 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.927 1.207 -3.911 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.541 0.048 -5.135 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.708 1.353 -5.052 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.891 1.034 -7.356 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.479 2.628 -6.758 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.147 1.890 -6.464 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.089 -0.538 -8.217 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.655 -1.157 -9.043 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.485 1.138 -7.603 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.670 -0.232 -8.703 1.00 0.00 H new ATOM 340 N PHE A 21 -8.061 -0.196 -1.471 1.00 0.00 N ATOM 341 CA PHE A 21 -8.331 -1.275 -0.491 1.00 0.00 C ATOM 342 C PHE A 21 -9.044 -0.790 0.813 1.00 0.00 C ATOM 343 O PHE A 21 -10.010 -1.413 1.255 1.00 0.00 O ATOM 344 CB PHE A 21 -6.951 -1.917 -0.169 1.00 0.00 C ATOM 345 CG PHE A 21 -6.996 -3.298 0.497 1.00 0.00 C ATOM 346 CD1 PHE A 21 -7.338 -4.430 -0.251 1.00 0.00 C ATOM 347 CD2 PHE A 21 -6.660 -3.443 1.847 1.00 0.00 C ATOM 348 CE1 PHE A 21 -7.338 -5.690 0.342 1.00 0.00 C ATOM 349 CE2 PHE A 21 -6.663 -4.704 2.440 1.00 0.00 C ATOM 350 CZ PHE A 21 -6.999 -5.826 1.687 1.00 0.00 C ATOM 0 H PHE A 21 -7.068 -0.088 -1.676 1.00 0.00 H new ATOM 0 HA PHE A 21 -9.031 -1.989 -0.925 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -6.385 -2.000 -1.097 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -6.399 -1.239 0.481 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -7.603 -4.326 -1.293 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -6.397 -2.574 2.432 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -7.600 -6.561 -0.240 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -6.405 -4.811 3.483 1.00 0.00 H new ATOM 0 HZ PHE A 21 -6.997 -6.804 2.146 1.00 0.00 H new ATOM 360 N TYR A 22 -8.583 0.329 1.399 1.00 0.00 N ATOM 361 CA TYR A 22 -9.260 0.985 2.544 1.00 0.00 C ATOM 362 C TYR A 22 -10.654 1.603 2.222 1.00 0.00 C ATOM 363 O TYR A 22 -11.545 1.449 3.051 1.00 0.00 O ATOM 364 CB TYR A 22 -8.259 2.026 3.126 1.00 0.00 C ATOM 365 CG TYR A 22 -8.716 2.694 4.436 1.00 0.00 C ATOM 366 CD1 TYR A 22 -8.733 1.968 5.632 1.00 0.00 C ATOM 367 CD2 TYR A 22 -9.181 4.014 4.427 1.00 0.00 C ATOM 368 CE1 TYR A 22 -9.221 2.549 6.799 1.00 0.00 C ATOM 369 CE2 TYR A 22 -9.667 4.594 5.597 1.00 0.00 C ATOM 370 CZ TYR A 22 -9.688 3.861 6.780 1.00 0.00 C ATOM 371 OH TYR A 22 -10.202 4.422 7.920 1.00 0.00 O ATOM 0 H TYR A 22 -7.734 0.807 1.097 1.00 0.00 H new ATOM 0 HA TYR A 22 -9.510 0.224 3.283 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -7.303 1.533 3.300 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -8.087 2.801 2.379 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -8.366 0.952 5.650 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -9.163 4.585 3.510 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -9.237 1.983 7.719 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -10.027 5.612 5.586 1.00 0.00 H new ATOM 0 HH TYR A 22 -10.481 5.343 7.734 1.00 0.00 H new ATOM 381 N LYS A 23 -10.895 2.249 1.076 1.00 0.00 N ATOM 382 CA LYS A 23 -12.263 2.578 0.612 1.00 0.00 C ATOM 383 C LYS A 23 -13.084 1.362 0.075 1.00 0.00 C ATOM 384 O LYS A 23 -14.306 1.398 0.168 1.00 0.00 O ATOM 385 CB LYS A 23 -12.128 3.698 -0.433 1.00 0.00 C ATOM 386 CG LYS A 23 -13.408 4.314 -1.070 1.00 0.00 C ATOM 387 CD LYS A 23 -14.627 4.612 -0.162 1.00 0.00 C ATOM 388 CE LYS A 23 -14.373 5.543 1.035 1.00 0.00 C ATOM 389 NZ LYS A 23 -15.581 5.524 1.911 1.00 0.00 N ATOM 0 H LYS A 23 -10.159 2.560 0.442 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.850 2.907 1.470 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -11.571 4.512 0.031 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -11.512 3.313 -1.246 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -13.119 5.248 -1.551 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -13.741 3.639 -1.858 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -15.412 5.052 -0.777 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -15.011 3.665 0.217 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.496 5.214 1.592 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -14.170 6.557 0.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -15.369 6.009 2.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -16.365 6.010 1.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -15.852 4.539 2.107 1.00 0.00 H new ATOM 403 N THR A 24 -12.475 0.272 -0.408 1.00 0.00 N ATOM 404 CA THR A 24 -13.171 -1.040 -0.551 1.00 0.00 C ATOM 405 C THR A 24 -13.645 -1.600 0.827 1.00 0.00 C ATOM 406 O THR A 24 -14.841 -1.838 0.976 1.00 0.00 O ATOM 407 CB THR A 24 -12.279 -2.033 -1.333 1.00 0.00 C ATOM 408 OG1 THR A 24 -11.894 -1.501 -2.599 1.00 0.00 O ATOM 409 CG2 THR A 24 -12.942 -3.381 -1.653 1.00 0.00 C ATOM 0 H THR A 24 -11.501 0.259 -0.710 1.00 0.00 H new ATOM 0 HA THR A 24 -14.081 -0.891 -1.133 1.00 0.00 H new ATOM 0 HB THR A 24 -11.437 -2.190 -0.659 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.259 -0.767 -2.466 1.00 0.00 H new ATOM 0 HG21 THR A 24 -12.241 -4.010 -2.202 1.00 0.00 H new ATOM 0 HG22 THR A 24 -13.224 -3.877 -0.724 1.00 0.00 H new ATOM 0 HG23 THR A 24 -13.832 -3.214 -2.260 1.00 0.00 H new ATOM 417 N LEU A 25 -12.790 -1.708 1.854 1.00 0.00 N ATOM 418 CA LEU A 25 -13.218 -1.963 3.251 1.00 0.00 C ATOM 419 C LEU A 25 -14.216 -0.892 3.802 1.00 0.00 C ATOM 420 O LEU A 25 -15.268 -1.306 4.296 1.00 0.00 O ATOM 421 CB LEU A 25 -11.914 -2.100 4.094 1.00 0.00 C ATOM 422 CG LEU A 25 -12.008 -2.567 5.574 1.00 0.00 C ATOM 423 CD1 LEU A 25 -12.423 -1.447 6.546 1.00 0.00 C ATOM 424 CD2 LEU A 25 -12.900 -3.808 5.767 1.00 0.00 C ATOM 0 H LEU A 25 -11.779 -1.622 1.747 1.00 0.00 H new ATOM 0 HA LEU A 25 -13.801 -2.882 3.309 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -11.259 -2.797 3.572 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.417 -1.130 4.088 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.988 -2.855 5.827 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -12.468 -1.844 7.560 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.692 -0.640 6.505 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -13.403 -1.064 6.262 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.922 -4.080 6.822 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -13.912 -3.585 5.429 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -12.498 -4.639 5.186 1.00 0.00 H new ATOM 436 N ARG A 26 -14.003 0.438 3.648 1.00 0.00 N ATOM 437 CA ARG A 26 -15.049 1.452 3.952 1.00 0.00 C ATOM 438 C ARG A 26 -16.095 1.704 2.791 1.00 0.00 C ATOM 439 O ARG A 26 -16.645 2.800 2.624 1.00 0.00 O ATOM 440 CB ARG A 26 -14.346 2.787 4.359 1.00 0.00 C ATOM 441 CG ARG A 26 -13.290 2.814 5.495 1.00 0.00 C ATOM 442 CD ARG A 26 -13.744 2.282 6.866 1.00 0.00 C ATOM 443 NE ARG A 26 -12.644 2.546 7.834 1.00 0.00 N ATOM 444 CZ ARG A 26 -12.702 2.375 9.149 1.00 0.00 C ATOM 445 NH1 ARG A 26 -13.662 1.734 9.763 1.00 0.00 N ATOM 446 NH2 ARG A 26 -11.736 2.872 9.863 1.00 0.00 N ATOM 0 H ARG A 26 -13.123 0.834 3.317 1.00 0.00 H new ATOM 0 HA ARG A 26 -15.644 1.050 4.772 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -13.864 3.181 3.464 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -15.131 3.491 4.635 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -12.426 2.233 5.172 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -12.952 3.842 5.623 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -14.662 2.776 7.184 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -13.959 1.215 6.811 1.00 0.00 H new ATOM 0 HE ARG A 26 -11.764 2.890 7.451 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -14.429 1.328 9.227 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -13.644 1.640 10.778 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -10.971 3.371 9.409 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -11.743 2.763 10.877 1.00 0.00 H new ATOM 460 N ALA A 27 -16.400 0.630 2.056 1.00 0.00 N ATOM 461 CA ALA A 27 -17.636 0.399 1.287 1.00 0.00 C ATOM 462 C ALA A 27 -18.252 -1.025 1.534 1.00 0.00 C ATOM 463 O ALA A 27 -19.478 -1.134 1.581 1.00 0.00 O ATOM 464 CB ALA A 27 -17.330 0.629 -0.205 1.00 0.00 C ATOM 0 H ALA A 27 -15.752 -0.153 1.974 1.00 0.00 H new ATOM 0 HA ALA A 27 -18.394 1.104 1.627 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -18.234 0.463 -0.792 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -16.985 1.652 -0.352 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -16.554 -0.065 -0.529 1.00 0.00 H new ATOM 470 N GLU A 28 -17.471 -2.108 1.767 1.00 0.00 N ATOM 471 CA GLU A 28 -17.939 -3.367 2.399 1.00 0.00 C ATOM 472 C GLU A 28 -18.596 -3.148 3.804 1.00 0.00 C ATOM 473 O GLU A 28 -19.673 -3.691 4.059 1.00 0.00 O ATOM 474 CB GLU A 28 -16.721 -4.328 2.535 1.00 0.00 C ATOM 475 CG GLU A 28 -16.099 -4.842 1.213 1.00 0.00 C ATOM 476 CD GLU A 28 -14.869 -5.722 1.423 1.00 0.00 C ATOM 477 OE1 GLU A 28 -13.742 -5.281 1.630 1.00 0.00 O ATOM 478 OE2 GLU A 28 -15.162 -7.050 1.357 1.00 0.00 O ATOM 0 H GLU A 28 -16.482 -2.132 1.517 1.00 0.00 H new ATOM 0 HA GLU A 28 -18.714 -3.791 1.760 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -15.944 -3.816 3.102 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -17.030 -5.191 3.125 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -16.851 -5.407 0.662 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -15.824 -3.988 0.593 1.00 0.00 H new ATOM 486 N GLN A 29 -17.990 -2.312 4.677 1.00 0.00 N ATOM 487 CA GLN A 29 -18.665 -1.785 5.886 1.00 0.00 C ATOM 488 C GLN A 29 -19.857 -0.821 5.545 1.00 0.00 C ATOM 489 O GLN A 29 -20.960 -1.026 6.059 1.00 0.00 O ATOM 490 CB GLN A 29 -17.645 -1.045 6.800 1.00 0.00 C ATOM 491 CG GLN A 29 -16.480 -1.901 7.355 1.00 0.00 C ATOM 492 CD GLN A 29 -15.742 -1.268 8.538 1.00 0.00 C ATOM 493 OE1 GLN A 29 -15.286 -0.130 8.493 1.00 0.00 O ATOM 494 NE2 GLN A 29 -15.584 -1.983 9.626 1.00 0.00 N ATOM 0 H GLN A 29 -17.030 -1.986 4.566 1.00 0.00 H new ATOM 0 HA GLN A 29 -19.078 -2.647 6.410 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -17.221 -0.213 6.238 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -18.188 -0.617 7.643 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -16.871 -2.871 7.663 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.766 -2.086 6.553 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -15.960 -2.930 9.673 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -15.086 -1.592 10.425 1.00 0.00 H new ATOM 503 N ALA A 30 -19.659 0.207 4.690 1.00 0.00 N ATOM 504 CA ALA A 30 -20.720 1.148 4.289 1.00 0.00 C ATOM 505 C ALA A 30 -21.532 0.659 3.036 1.00 0.00 C ATOM 506 O ALA A 30 -21.460 1.236 1.947 1.00 0.00 O ATOM 507 CB ALA A 30 -20.007 2.500 4.076 1.00 0.00 C ATOM 0 H ALA A 30 -18.756 0.405 4.260 1.00 0.00 H new ATOM 0 HA ALA A 30 -21.489 1.233 5.056 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -20.736 3.252 3.775 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -19.529 2.810 5.005 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -19.252 2.394 3.297 1.00 0.00 H new ATOM 513 N SER A 31 -22.322 -0.417 3.217 1.00 0.00 N ATOM 514 CA SER A 31 -23.160 -1.019 2.144 1.00 0.00 C ATOM 515 C SER A 31 -24.643 -1.017 2.594 1.00 0.00 C ATOM 516 O SER A 31 -25.110 -1.734 3.477 1.00 0.00 O ATOM 517 CB SER A 31 -22.655 -2.454 1.852 1.00 0.00 C ATOM 518 OG SER A 31 -21.531 -2.441 0.972 1.00 0.00 O ATOM 519 OXT SER A 31 -25.400 -0.126 1.891 1.00 0.00 O ATOM 0 H SER A 31 -22.402 -0.900 4.112 1.00 0.00 H new ATOM 0 HA SER A 31 -23.084 -0.437 1.225 1.00 0.00 H new ATOM 0 HB2 SER A 31 -22.381 -2.942 2.787 1.00 0.00 H new ATOM 0 HB3 SER A 31 -23.459 -3.041 1.409 1.00 0.00 H new ATOM 0 HG SER A 31 -20.740 -2.127 1.457 1.00 0.00 H new TER 526 SER A 31