USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 490 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 37 GLN : amide:sc= -0.414 K(o=-1.6,f=-4.1!) USER MOD Set 1.2: A 41 SER OG : rot 171:sc= -1.19 USER MOD Single : A 1 GLY N :NH3+ -102:sc= 0.0681 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 100:sc= 0.527 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0261 USER MOD Single : A 14 SER OG : rot -71:sc= 0.475 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= -2.46 USER MOD Single : A 24 SER OG : rot 108:sc= 1.29 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.0524 X(o=-0.052,f=-0.21) USER MOD Single : A 29 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.118) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc=-0.00559 K(o=-0.0056,f=-0.53) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 106:sc= 1.22 USER MOD Single : A 43 GLN : amide:sc= -0.0208 K(o=-0.021,f=-0.61) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 100:sc= 0.0887 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -39.379 4.837 18.381 1.00 0.00 N ATOM 2 CA GLY A 1 -39.257 3.366 18.171 1.00 0.00 C ATOM 3 C GLY A 1 -37.820 3.023 17.768 1.00 0.00 C ATOM 4 O GLY A 1 -37.109 3.859 17.246 1.00 0.00 O ATOM 0 H1 GLY A 1 -39.372 5.044 19.400 1.00 0.00 H new ATOM 0 H2 GLY A 1 -38.579 5.320 17.924 1.00 0.00 H new ATOM 0 H3 GLY A 1 -40.271 5.174 17.965 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -39.526 2.834 19.084 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -39.951 3.040 17.396 1.00 0.00 H new ATOM 10 N PRO A 2 -37.437 1.797 18.024 1.00 0.00 N ATOM 11 CA PRO A 2 -36.067 1.344 17.679 1.00 0.00 C ATOM 12 C PRO A 2 -35.928 1.165 16.164 1.00 0.00 C ATOM 13 O PRO A 2 -34.877 1.393 15.596 1.00 0.00 O ATOM 14 CB PRO A 2 -35.940 0.004 18.399 1.00 0.00 C ATOM 15 CG PRO A 2 -37.344 -0.486 18.558 1.00 0.00 C ATOM 16 CD PRO A 2 -38.229 0.730 18.649 1.00 0.00 C ATOM 0 HA PRO A 2 -35.294 2.055 17.973 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -35.340 -0.699 17.821 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -35.451 0.121 19.366 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -37.632 -1.110 17.712 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -37.439 -1.100 19.454 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -39.173 0.576 18.126 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -38.473 0.969 19.684 1.00 0.00 H new ATOM 24 N MET A 3 -36.983 0.759 15.506 1.00 0.00 N ATOM 25 CA MET A 3 -36.922 0.563 14.024 1.00 0.00 C ATOM 26 C MET A 3 -35.750 -0.354 13.656 1.00 0.00 C ATOM 27 O MET A 3 -35.042 -0.846 14.512 1.00 0.00 O ATOM 28 CB MET A 3 -36.712 1.965 13.442 1.00 0.00 C ATOM 29 CG MET A 3 -37.760 2.234 12.360 1.00 0.00 C ATOM 30 SD MET A 3 -37.825 4.007 12.009 1.00 0.00 S ATOM 31 CE MET A 3 -39.265 3.969 10.914 1.00 0.00 C ATOM 0 H MET A 3 -37.887 0.554 15.931 1.00 0.00 H new ATOM 0 HA MET A 3 -37.825 0.093 13.635 1.00 0.00 H new ATOM 0 HB2 MET A 3 -36.789 2.713 14.231 1.00 0.00 H new ATOM 0 HB3 MET A 3 -35.710 2.049 13.021 1.00 0.00 H new ATOM 0 HG2 MET A 3 -37.512 1.682 11.453 1.00 0.00 H new ATOM 0 HG3 MET A 3 -38.737 1.882 12.690 1.00 0.00 H new ATOM 0 HE1 MET A 3 -39.488 4.979 10.571 1.00 0.00 H new ATOM 0 HE2 MET A 3 -39.052 3.333 10.055 1.00 0.00 H new ATOM 0 HE3 MET A 3 -40.123 3.571 11.455 1.00 0.00 H new ATOM 41 N SER A 4 -35.542 -0.586 12.386 1.00 0.00 N ATOM 42 CA SER A 4 -34.418 -1.469 11.962 1.00 0.00 C ATOM 43 C SER A 4 -33.146 -0.643 11.754 1.00 0.00 C ATOM 44 O SER A 4 -32.574 -0.625 10.681 1.00 0.00 O ATOM 45 CB SER A 4 -34.879 -2.089 10.643 1.00 0.00 C ATOM 46 OG SER A 4 -34.473 -3.451 10.598 1.00 0.00 O ATOM 0 H SER A 4 -36.102 -0.202 11.625 1.00 0.00 H new ATOM 0 HA SER A 4 -34.183 -2.228 12.708 1.00 0.00 H new ATOM 0 HB2 SER A 4 -35.963 -2.017 10.553 1.00 0.00 H new ATOM 0 HB3 SER A 4 -34.453 -1.542 9.802 1.00 0.00 H new ATOM 0 HG SER A 4 -34.768 -3.853 9.754 1.00 0.00 H new ATOM 52 N THR A 5 -32.699 0.041 12.773 1.00 0.00 N ATOM 53 CA THR A 5 -31.463 0.867 12.638 1.00 0.00 C ATOM 54 C THR A 5 -30.257 -0.028 12.348 1.00 0.00 C ATOM 55 O THR A 5 -29.328 0.367 11.670 1.00 0.00 O ATOM 56 CB THR A 5 -31.301 1.568 13.988 1.00 0.00 C ATOM 57 OG1 THR A 5 -32.566 2.033 14.435 1.00 0.00 O ATOM 58 CG2 THR A 5 -30.343 2.751 13.839 1.00 0.00 C ATOM 0 H THR A 5 -33.136 0.064 13.694 1.00 0.00 H new ATOM 0 HA THR A 5 -31.533 1.580 11.817 1.00 0.00 H new ATOM 0 HB THR A 5 -30.896 0.865 14.716 1.00 0.00 H new ATOM 0 HG1 THR A 5 -32.932 1.404 15.092 1.00 0.00 H new ATOM 0 HG21 THR A 5 -30.228 3.250 14.801 1.00 0.00 H new ATOM 0 HG22 THR A 5 -29.372 2.392 13.498 1.00 0.00 H new ATOM 0 HG23 THR A 5 -30.745 3.455 13.111 1.00 0.00 H new ATOM 66 N THR A 6 -30.265 -1.232 12.855 1.00 0.00 N ATOM 67 CA THR A 6 -29.121 -2.160 12.610 1.00 0.00 C ATOM 68 C THR A 6 -28.839 -2.272 11.107 1.00 0.00 C ATOM 69 O THR A 6 -27.732 -2.557 10.694 1.00 0.00 O ATOM 70 CB THR A 6 -29.573 -3.509 13.172 1.00 0.00 C ATOM 71 OG1 THR A 6 -30.927 -3.741 12.809 1.00 0.00 O ATOM 72 CG2 THR A 6 -29.445 -3.497 14.696 1.00 0.00 C ATOM 0 H THR A 6 -31.016 -1.614 13.430 1.00 0.00 H new ATOM 0 HA THR A 6 -28.202 -1.811 13.080 1.00 0.00 H new ATOM 0 HB THR A 6 -28.947 -4.302 12.764 1.00 0.00 H new ATOM 0 HG1 THR A 6 -31.218 -4.606 13.167 1.00 0.00 H new ATOM 0 HG21 THR A 6 -29.767 -4.458 15.096 1.00 0.00 H new ATOM 0 HG22 THR A 6 -28.406 -3.319 14.972 1.00 0.00 H new ATOM 0 HG23 THR A 6 -30.071 -2.705 15.107 1.00 0.00 H new ATOM 80 N GLU A 7 -29.834 -2.049 10.289 1.00 0.00 N ATOM 81 CA GLU A 7 -29.625 -2.143 8.814 1.00 0.00 C ATOM 82 C GLU A 7 -28.697 -1.023 8.338 1.00 0.00 C ATOM 83 O GLU A 7 -27.718 -1.263 7.657 1.00 0.00 O ATOM 84 CB GLU A 7 -31.018 -1.981 8.202 1.00 0.00 C ATOM 85 CG GLU A 7 -30.934 -2.160 6.684 1.00 0.00 C ATOM 86 CD GLU A 7 -32.286 -2.638 6.150 1.00 0.00 C ATOM 87 OE1 GLU A 7 -33.295 -2.157 6.637 1.00 0.00 O ATOM 88 OE2 GLU A 7 -32.288 -3.475 5.263 1.00 0.00 O ATOM 0 H GLU A 7 -30.781 -1.806 10.578 1.00 0.00 H new ATOM 0 HA GLU A 7 -29.160 -3.085 8.524 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -31.701 -2.716 8.628 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -31.419 -0.996 8.441 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -30.657 -1.218 6.211 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -30.157 -2.882 6.435 1.00 0.00 H new ATOM 95 N VAL A 8 -28.995 0.198 8.691 1.00 0.00 N ATOM 96 CA VAL A 8 -28.130 1.336 8.258 1.00 0.00 C ATOM 97 C VAL A 8 -26.749 1.223 8.913 1.00 0.00 C ATOM 98 O VAL A 8 -25.750 1.616 8.344 1.00 0.00 O ATOM 99 CB VAL A 8 -28.854 2.597 8.739 1.00 0.00 C ATOM 100 CG1 VAL A 8 -28.052 3.837 8.335 1.00 0.00 C ATOM 101 CG2 VAL A 8 -30.245 2.664 8.100 1.00 0.00 C ATOM 0 H VAL A 8 -29.800 0.458 9.261 1.00 0.00 H new ATOM 0 HA VAL A 8 -27.972 1.349 7.180 1.00 0.00 H new ATOM 0 HB VAL A 8 -28.951 2.564 9.824 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -28.569 4.733 8.678 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -27.062 3.794 8.788 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -27.953 3.869 7.250 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -30.760 3.562 8.443 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -30.146 2.694 7.015 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -30.820 1.784 8.387 1.00 0.00 H new ATOM 111 N ARG A 9 -26.688 0.688 10.103 1.00 0.00 N ATOM 112 CA ARG A 9 -25.372 0.548 10.794 1.00 0.00 C ATOM 113 C ARG A 9 -24.529 -0.532 10.110 1.00 0.00 C ATOM 114 O ARG A 9 -23.353 -0.351 9.865 1.00 0.00 O ATOM 115 CB ARG A 9 -25.717 0.136 12.227 1.00 0.00 C ATOM 116 CG ARG A 9 -26.146 1.370 13.022 1.00 0.00 C ATOM 117 CD ARG A 9 -26.180 1.031 14.514 1.00 0.00 C ATOM 118 NE ARG A 9 -26.260 2.347 15.205 1.00 0.00 N ATOM 119 CZ ARG A 9 -25.203 3.109 15.281 1.00 0.00 C ATOM 120 NH1 ARG A 9 -24.059 2.603 15.654 1.00 0.00 N ATOM 121 NH2 ARG A 9 -25.289 4.377 14.983 1.00 0.00 N ATOM 0 H ARG A 9 -27.492 0.342 10.627 1.00 0.00 H new ATOM 0 HA ARG A 9 -24.790 1.469 10.766 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -26.518 -0.603 12.222 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -24.854 -0.333 12.700 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -25.453 2.191 12.841 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -27.130 1.704 12.692 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -27.038 0.404 14.757 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -25.288 0.481 14.814 1.00 0.00 H new ATOM 0 HE ARG A 9 -27.141 2.653 15.619 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -23.991 1.612 15.886 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -23.233 3.199 15.713 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -26.182 4.773 14.691 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -24.463 4.972 15.043 1.00 0.00 H new ATOM 135 N GLU A 10 -25.124 -1.653 9.797 1.00 0.00 N ATOM 136 CA GLU A 10 -24.358 -2.744 9.127 1.00 0.00 C ATOM 137 C GLU A 10 -23.951 -2.313 7.716 1.00 0.00 C ATOM 138 O GLU A 10 -22.920 -2.711 7.209 1.00 0.00 O ATOM 139 CB GLU A 10 -25.322 -3.931 9.068 1.00 0.00 C ATOM 140 CG GLU A 10 -24.571 -5.173 8.582 1.00 0.00 C ATOM 141 CD GLU A 10 -25.566 -6.315 8.356 1.00 0.00 C ATOM 142 OE1 GLU A 10 -26.120 -6.794 9.331 1.00 0.00 O ATOM 143 OE2 GLU A 10 -25.754 -6.690 7.210 1.00 0.00 O ATOM 0 H GLU A 10 -26.107 -1.860 9.976 1.00 0.00 H new ATOM 0 HA GLU A 10 -23.441 -2.992 9.662 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -25.751 -4.114 10.053 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -26.151 -3.708 8.396 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -24.040 -4.951 7.657 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -23.822 -5.469 9.317 1.00 0.00 H new ATOM 150 N ARG A 11 -24.753 -1.503 7.078 1.00 0.00 N ATOM 151 CA ARG A 11 -24.414 -1.044 5.699 1.00 0.00 C ATOM 152 C ARG A 11 -23.238 -0.064 5.744 1.00 0.00 C ATOM 153 O ARG A 11 -22.416 -0.025 4.850 1.00 0.00 O ATOM 154 CB ARG A 11 -25.677 -0.344 5.184 1.00 0.00 C ATOM 155 CG ARG A 11 -26.295 -1.169 4.052 1.00 0.00 C ATOM 156 CD ARG A 11 -27.406 -0.360 3.378 1.00 0.00 C ATOM 157 NE ARG A 11 -26.798 0.161 2.121 1.00 0.00 N ATOM 158 CZ ARG A 11 -27.451 1.023 1.389 1.00 0.00 C ATOM 159 NH1 ARG A 11 -28.627 0.716 0.913 1.00 0.00 N ATOM 160 NH2 ARG A 11 -26.928 2.190 1.134 1.00 0.00 N ATOM 0 H ARG A 11 -25.629 -1.139 7.452 1.00 0.00 H new ATOM 0 HA ARG A 11 -24.118 -1.870 5.053 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -26.395 -0.225 5.995 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -25.431 0.656 4.827 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -25.530 -1.435 3.322 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -26.698 -2.102 4.446 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -28.275 -0.983 3.167 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -27.745 0.454 4.019 1.00 0.00 H new ATOM 0 HE ARG A 11 -25.872 -0.156 1.833 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -29.036 -0.197 1.113 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -29.137 1.389 0.341 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -26.009 2.429 1.506 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -27.438 2.863 0.562 1.00 0.00 H new ATOM 174 N ARG A 12 -23.153 0.727 6.780 1.00 0.00 N ATOM 175 CA ARG A 12 -22.030 1.705 6.886 1.00 0.00 C ATOM 176 C ARG A 12 -20.731 0.980 7.249 1.00 0.00 C ATOM 177 O ARG A 12 -19.652 1.403 6.885 1.00 0.00 O ATOM 178 CB ARG A 12 -22.439 2.663 8.006 1.00 0.00 C ATOM 179 CG ARG A 12 -21.626 3.955 7.898 1.00 0.00 C ATOM 180 CD ARG A 12 -21.256 4.446 9.300 1.00 0.00 C ATOM 181 NE ARG A 12 -20.429 5.664 9.073 1.00 0.00 N ATOM 182 CZ ARG A 12 -21.002 6.793 8.758 1.00 0.00 C ATOM 183 NH1 ARG A 12 -21.942 7.282 9.520 1.00 0.00 N ATOM 184 NH2 ARG A 12 -20.636 7.432 7.681 1.00 0.00 N ATOM 0 H ARG A 12 -23.813 0.739 7.558 1.00 0.00 H new ATOM 0 HA ARG A 12 -21.851 2.230 5.947 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -23.504 2.885 7.938 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -22.272 2.196 8.977 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -20.723 3.781 7.312 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -22.203 4.717 7.375 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -22.146 4.676 9.886 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -20.699 3.687 9.850 1.00 0.00 H new ATOM 0 HE ARG A 12 -19.414 5.615 9.164 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -22.228 6.782 10.361 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -22.390 8.165 9.274 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -19.902 7.049 7.085 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -21.084 8.315 7.435 1.00 0.00 H new ATOM 198 N ARG A 13 -20.830 -0.109 7.965 1.00 0.00 N ATOM 199 CA ARG A 13 -19.603 -0.865 8.355 1.00 0.00 C ATOM 200 C ARG A 13 -19.073 -1.668 7.163 1.00 0.00 C ATOM 201 O ARG A 13 -17.884 -1.876 7.022 1.00 0.00 O ATOM 202 CB ARG A 13 -20.056 -1.805 9.475 1.00 0.00 C ATOM 203 CG ARG A 13 -19.623 -1.237 10.832 1.00 0.00 C ATOM 204 CD ARG A 13 -18.506 -2.104 11.419 1.00 0.00 C ATOM 205 NE ARG A 13 -17.689 -1.172 12.243 1.00 0.00 N ATOM 206 CZ ARG A 13 -16.578 -0.680 11.765 1.00 0.00 C ATOM 207 NH1 ARG A 13 -15.733 -1.459 11.147 1.00 0.00 N ATOM 208 NH2 ARG A 13 -16.313 0.590 11.905 1.00 0.00 N ATOM 0 H ARG A 13 -21.708 -0.508 8.297 1.00 0.00 H new ATOM 0 HA ARG A 13 -18.797 -0.205 8.676 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -21.139 -1.923 9.448 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -19.624 -2.795 9.329 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -19.276 -0.210 10.714 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -20.473 -1.210 11.514 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -18.912 -2.914 12.025 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -17.908 -2.563 10.632 1.00 0.00 H new ATOM 0 HE ARG A 13 -17.997 -0.918 13.181 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -15.941 -2.452 11.038 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -14.865 -1.075 10.773 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -16.974 1.199 12.388 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -15.445 0.974 11.532 1.00 0.00 H new ATOM 222 N SER A 14 -19.949 -2.122 6.306 1.00 0.00 N ATOM 223 CA SER A 14 -19.503 -2.916 5.121 1.00 0.00 C ATOM 224 C SER A 14 -18.460 -2.141 4.310 1.00 0.00 C ATOM 225 O SER A 14 -17.607 -2.726 3.672 1.00 0.00 O ATOM 226 CB SER A 14 -20.759 -3.153 4.279 1.00 0.00 C ATOM 227 OG SER A 14 -21.897 -2.618 4.944 1.00 0.00 O ATOM 0 H SER A 14 -20.956 -1.977 6.375 1.00 0.00 H new ATOM 0 HA SER A 14 -19.038 -3.853 5.426 1.00 0.00 H new ATOM 0 HB2 SER A 14 -20.645 -2.685 3.301 1.00 0.00 H new ATOM 0 HB3 SER A 14 -20.896 -4.221 4.107 1.00 0.00 H new ATOM 0 HG SER A 14 -22.114 -3.175 5.721 1.00 0.00 H new ATOM 233 N TYR A 15 -18.529 -0.830 4.320 1.00 0.00 N ATOM 234 CA TYR A 15 -17.546 -0.009 3.539 1.00 0.00 C ATOM 235 C TYR A 15 -16.129 -0.590 3.670 1.00 0.00 C ATOM 236 O TYR A 15 -15.322 -0.494 2.767 1.00 0.00 O ATOM 237 CB TYR A 15 -17.634 1.402 4.145 1.00 0.00 C ATOM 238 CG TYR A 15 -16.633 1.568 5.268 1.00 0.00 C ATOM 239 CD1 TYR A 15 -16.851 0.942 6.501 1.00 0.00 C ATOM 240 CD2 TYR A 15 -15.488 2.349 5.074 1.00 0.00 C ATOM 241 CE1 TYR A 15 -15.924 1.098 7.540 1.00 0.00 C ATOM 242 CE2 TYR A 15 -14.561 2.506 6.112 1.00 0.00 C ATOM 243 CZ TYR A 15 -14.780 1.879 7.345 1.00 0.00 C ATOM 244 OH TYR A 15 -13.867 2.033 8.368 1.00 0.00 O ATOM 0 H TYR A 15 -19.225 -0.292 4.836 1.00 0.00 H new ATOM 0 HA TYR A 15 -17.769 -0.001 2.472 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -17.447 2.147 3.372 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -18.642 1.579 4.521 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -17.734 0.339 6.651 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -15.319 2.831 4.123 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -16.093 0.615 8.491 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -13.678 3.110 5.962 1.00 0.00 H new ATOM 0 HH TYR A 15 -13.131 2.605 8.066 1.00 0.00 H new ATOM 254 N LEU A 16 -15.836 -1.206 4.784 1.00 0.00 N ATOM 255 CA LEU A 16 -14.488 -1.810 4.974 1.00 0.00 C ATOM 256 C LEU A 16 -14.609 -3.112 5.754 1.00 0.00 C ATOM 257 O LEU A 16 -13.802 -3.414 6.609 1.00 0.00 O ATOM 258 CB LEU A 16 -13.686 -0.781 5.765 1.00 0.00 C ATOM 259 CG LEU A 16 -12.210 -1.193 5.795 1.00 0.00 C ATOM 260 CD1 LEU A 16 -11.661 -1.258 4.368 1.00 0.00 C ATOM 261 CD2 LEU A 16 -11.412 -0.167 6.600 1.00 0.00 C ATOM 0 H LEU A 16 -16.475 -1.316 5.572 1.00 0.00 H new ATOM 0 HA LEU A 16 -14.006 -2.046 4.025 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -13.790 0.204 5.310 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -14.074 -0.705 6.781 1.00 0.00 H new ATOM 0 HG LEU A 16 -12.120 -2.175 6.260 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -10.612 -1.551 4.395 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -12.228 -1.990 3.793 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -11.752 -0.279 3.898 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -10.362 -0.459 6.622 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -11.506 0.814 6.134 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -11.798 -0.124 7.618 1.00 0.00 H new ATOM 273 N THR A 17 -15.612 -3.889 5.460 1.00 0.00 N ATOM 274 CA THR A 17 -15.781 -5.182 6.181 1.00 0.00 C ATOM 275 C THR A 17 -14.479 -5.994 6.110 1.00 0.00 C ATOM 276 O THR A 17 -14.018 -6.505 7.113 1.00 0.00 O ATOM 277 CB THR A 17 -16.922 -5.919 5.465 1.00 0.00 C ATOM 278 OG1 THR A 17 -17.492 -5.077 4.470 1.00 0.00 O ATOM 279 CG2 THR A 17 -17.999 -6.307 6.480 1.00 0.00 C ATOM 0 H THR A 17 -16.320 -3.687 4.754 1.00 0.00 H new ATOM 0 HA THR A 17 -16.012 -5.033 7.236 1.00 0.00 H new ATOM 0 HB THR A 17 -16.525 -6.817 4.992 1.00 0.00 H new ATOM 0 HG1 THR A 17 -18.218 -5.553 4.016 1.00 0.00 H new ATOM 0 HG21 THR A 17 -18.808 -6.830 5.970 1.00 0.00 H new ATOM 0 HG22 THR A 17 -17.566 -6.960 7.238 1.00 0.00 H new ATOM 0 HG23 THR A 17 -18.391 -5.408 6.956 1.00 0.00 H new ATOM 287 N PRO A 18 -13.917 -6.077 4.927 1.00 0.00 N ATOM 288 CA PRO A 18 -12.658 -6.814 4.737 1.00 0.00 C ATOM 289 C PRO A 18 -11.481 -5.864 4.927 1.00 0.00 C ATOM 290 O PRO A 18 -11.019 -5.239 3.991 1.00 0.00 O ATOM 291 CB PRO A 18 -12.744 -7.282 3.292 1.00 0.00 C ATOM 292 CG PRO A 18 -13.663 -6.311 2.603 1.00 0.00 C ATOM 293 CD PRO A 18 -14.385 -5.509 3.664 1.00 0.00 C ATOM 0 HA PRO A 18 -12.517 -7.637 5.438 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -11.760 -7.289 2.824 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -13.133 -8.299 3.232 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -13.096 -5.650 1.948 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -14.378 -6.844 1.977 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -14.146 -4.448 3.592 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -15.467 -5.599 3.564 1.00 0.00 H new ATOM 301 N VAL A 19 -11.002 -5.738 6.129 1.00 0.00 N ATOM 302 CA VAL A 19 -9.862 -4.812 6.377 1.00 0.00 C ATOM 303 C VAL A 19 -8.554 -5.417 5.870 1.00 0.00 C ATOM 304 O VAL A 19 -7.523 -4.776 5.858 1.00 0.00 O ATOM 305 CB VAL A 19 -9.818 -4.628 7.892 1.00 0.00 C ATOM 306 CG1 VAL A 19 -8.691 -3.660 8.260 1.00 0.00 C ATOM 307 CG2 VAL A 19 -11.154 -4.062 8.381 1.00 0.00 C ATOM 0 H VAL A 19 -11.348 -6.234 6.951 1.00 0.00 H new ATOM 0 HA VAL A 19 -9.988 -3.864 5.855 1.00 0.00 H new ATOM 0 HB VAL A 19 -9.637 -5.593 8.365 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.662 -3.530 9.342 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.738 -4.063 7.917 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -8.869 -2.696 7.784 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.120 -3.932 9.463 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -11.337 -3.099 7.905 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -11.957 -4.752 8.124 1.00 0.00 H new ATOM 317 N ARG A 20 -8.597 -6.648 5.452 1.00 0.00 N ATOM 318 CA ARG A 20 -7.368 -7.326 4.933 1.00 0.00 C ATOM 319 C ARG A 20 -6.634 -6.425 3.932 1.00 0.00 C ATOM 320 O ARG A 20 -5.430 -6.509 3.779 1.00 0.00 O ATOM 321 CB ARG A 20 -7.881 -8.589 4.235 1.00 0.00 C ATOM 322 CG ARG A 20 -9.033 -8.226 3.294 1.00 0.00 C ATOM 323 CD ARG A 20 -9.187 -9.311 2.228 1.00 0.00 C ATOM 324 NE ARG A 20 -10.263 -8.813 1.325 1.00 0.00 N ATOM 325 CZ ARG A 20 -9.969 -8.421 0.115 1.00 0.00 C ATOM 326 NH1 ARG A 20 -9.510 -7.217 -0.087 1.00 0.00 N ATOM 327 NH2 ARG A 20 -10.136 -9.234 -0.891 1.00 0.00 N ATOM 0 H ARG A 20 -9.438 -7.225 5.446 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.659 -7.552 5.730 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.074 -9.059 3.673 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.218 -9.314 4.976 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.959 -8.124 3.860 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.840 -7.263 2.822 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.255 -9.465 1.684 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.458 -10.268 2.675 1.00 0.00 H new ATOM 0 HE ARG A 20 -11.228 -8.778 1.652 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.381 -6.582 0.700 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.280 -6.911 -1.032 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.496 -10.175 -0.732 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.907 -8.929 -1.837 1.00 0.00 H new ATOM 341 N ASP A 21 -7.346 -5.563 3.254 1.00 0.00 N ATOM 342 CA ASP A 21 -6.681 -4.658 2.272 1.00 0.00 C ATOM 343 C ASP A 21 -5.942 -3.548 3.009 1.00 0.00 C ATOM 344 O ASP A 21 -4.929 -3.047 2.562 1.00 0.00 O ATOM 345 CB ASP A 21 -7.813 -4.084 1.419 1.00 0.00 C ATOM 346 CG ASP A 21 -7.226 -3.196 0.321 1.00 0.00 C ATOM 347 OD1 ASP A 21 -6.908 -2.055 0.616 1.00 0.00 O ATOM 348 OD2 ASP A 21 -7.104 -3.670 -0.796 1.00 0.00 O ATOM 0 H ASP A 21 -8.356 -5.447 3.338 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.946 -5.180 1.659 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.394 -4.893 0.975 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.495 -3.506 2.043 1.00 0.00 H new ATOM 353 N GLU A 22 -6.451 -3.175 4.139 1.00 0.00 N ATOM 354 CA GLU A 22 -5.806 -2.109 4.944 1.00 0.00 C ATOM 355 C GLU A 22 -4.548 -2.659 5.617 1.00 0.00 C ATOM 356 O GLU A 22 -3.569 -1.961 5.796 1.00 0.00 O ATOM 357 CB GLU A 22 -6.849 -1.709 5.990 1.00 0.00 C ATOM 358 CG GLU A 22 -6.895 -0.184 6.110 1.00 0.00 C ATOM 359 CD GLU A 22 -7.947 0.373 5.148 1.00 0.00 C ATOM 360 OE1 GLU A 22 -7.896 0.026 3.981 1.00 0.00 O ATOM 361 OE2 GLU A 22 -8.785 1.137 5.598 1.00 0.00 O ATOM 0 H GLU A 22 -7.299 -3.568 4.548 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.500 -1.257 4.338 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.829 -2.091 5.706 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.601 -2.153 6.954 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.135 0.104 7.134 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.917 0.239 5.881 1.00 0.00 H new ATOM 368 N GLU A 23 -4.570 -3.914 5.986 1.00 0.00 N ATOM 369 CA GLU A 23 -3.377 -4.521 6.645 1.00 0.00 C ATOM 370 C GLU A 23 -2.309 -4.845 5.596 1.00 0.00 C ATOM 371 O GLU A 23 -1.131 -4.638 5.810 1.00 0.00 O ATOM 372 CB GLU A 23 -3.892 -5.803 7.301 1.00 0.00 C ATOM 373 CG GLU A 23 -4.062 -5.578 8.805 1.00 0.00 C ATOM 374 CD GLU A 23 -2.692 -5.621 9.485 1.00 0.00 C ATOM 375 OE1 GLU A 23 -1.889 -6.455 9.103 1.00 0.00 O ATOM 376 OE2 GLU A 23 -2.470 -4.819 10.378 1.00 0.00 O ATOM 0 H GLU A 23 -5.362 -4.544 5.859 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.919 -3.851 7.372 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.844 -6.094 6.857 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.194 -6.621 7.122 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.541 -4.616 8.988 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.713 -6.343 9.227 1.00 0.00 H new ATOM 383 N SER A 24 -2.717 -5.347 4.460 1.00 0.00 N ATOM 384 CA SER A 24 -1.729 -5.682 3.393 1.00 0.00 C ATOM 385 C SER A 24 -1.015 -4.413 2.922 1.00 0.00 C ATOM 386 O SER A 24 0.174 -4.415 2.669 1.00 0.00 O ATOM 387 CB SER A 24 -2.557 -6.285 2.259 1.00 0.00 C ATOM 388 OG SER A 24 -3.274 -7.410 2.746 1.00 0.00 O ATOM 0 H SER A 24 -3.691 -5.539 4.225 1.00 0.00 H new ATOM 0 HA SER A 24 -0.959 -6.370 3.743 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.249 -5.542 1.864 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.906 -6.583 1.437 1.00 0.00 H new ATOM 0 HG SER A 24 -4.226 -7.187 2.813 1.00 0.00 H new ATOM 394 N GLU A 25 -1.733 -3.328 2.805 1.00 0.00 N ATOM 395 CA GLU A 25 -1.099 -2.055 2.352 1.00 0.00 C ATOM 396 C GLU A 25 -0.185 -1.503 3.450 1.00 0.00 C ATOM 397 O GLU A 25 0.879 -0.981 3.181 1.00 0.00 O ATOM 398 CB GLU A 25 -2.263 -1.099 2.093 1.00 0.00 C ATOM 399 CG GLU A 25 -2.944 -1.471 0.774 1.00 0.00 C ATOM 400 CD GLU A 25 -2.307 -0.683 -0.370 1.00 0.00 C ATOM 401 OE1 GLU A 25 -1.092 -0.575 -0.384 1.00 0.00 O ATOM 402 OE2 GLU A 25 -3.045 -0.199 -1.213 1.00 0.00 O ATOM 0 H GLU A 25 -2.732 -3.268 3.004 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.483 -2.194 1.463 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.980 -1.151 2.912 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.901 -0.072 2.051 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.846 -2.541 0.591 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.011 -1.254 0.829 1.00 0.00 H new ATOM 409 N SER A 26 -0.593 -1.618 4.686 1.00 0.00 N ATOM 410 CA SER A 26 0.252 -1.103 5.804 1.00 0.00 C ATOM 411 C SER A 26 1.474 -2.005 5.998 1.00 0.00 C ATOM 412 O SER A 26 2.567 -1.538 6.255 1.00 0.00 O ATOM 413 CB SER A 26 -0.648 -1.147 7.038 1.00 0.00 C ATOM 414 OG SER A 26 -0.366 -0.027 7.865 1.00 0.00 O ATOM 0 H SER A 26 -1.474 -2.046 4.970 1.00 0.00 H new ATOM 0 HA SER A 26 0.625 -0.097 5.610 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.696 -1.138 6.738 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.483 -2.072 7.590 1.00 0.00 H new ATOM 0 HG SER A 26 -0.943 -0.051 8.657 1.00 0.00 H new ATOM 420 N GLN A 27 1.297 -3.293 5.875 1.00 0.00 N ATOM 421 CA GLN A 27 2.448 -4.228 6.051 1.00 0.00 C ATOM 422 C GLN A 27 3.488 -3.997 4.951 1.00 0.00 C ATOM 423 O GLN A 27 4.667 -3.868 5.217 1.00 0.00 O ATOM 424 CB GLN A 27 1.845 -5.629 5.933 1.00 0.00 C ATOM 425 CG GLN A 27 1.638 -6.218 7.329 1.00 0.00 C ATOM 426 CD GLN A 27 1.833 -7.734 7.278 1.00 0.00 C ATOM 427 OE1 GLN A 27 2.848 -8.213 6.814 1.00 0.00 O ATOM 428 NE2 GLN A 27 0.894 -8.517 7.737 1.00 0.00 N ATOM 0 H GLN A 27 0.405 -3.739 5.660 1.00 0.00 H new ATOM 0 HA GLN A 27 2.955 -4.083 7.005 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.894 -5.583 5.402 1.00 0.00 H new ATOM 0 HB3 GLN A 27 2.505 -6.272 5.350 1.00 0.00 H new ATOM 0 HG2 GLN A 27 2.344 -5.773 8.031 1.00 0.00 H new ATOM 0 HG3 GLN A 27 0.637 -5.981 7.690 1.00 0.00 H new ATOM 0 HE21 GLN A 27 0.041 -8.116 8.127 1.00 0.00 H new ATOM 0 HE22 GLN A 27 1.014 -9.529 7.706 1.00 0.00 H new ATOM 437 N ARG A 28 3.058 -3.942 3.718 1.00 0.00 N ATOM 438 CA ARG A 28 4.022 -3.719 2.600 1.00 0.00 C ATOM 439 C ARG A 28 4.729 -2.371 2.775 1.00 0.00 C ATOM 440 O ARG A 28 5.915 -2.247 2.536 1.00 0.00 O ATOM 441 CB ARG A 28 3.168 -3.715 1.326 1.00 0.00 C ATOM 442 CG ARG A 28 3.467 -4.971 0.503 1.00 0.00 C ATOM 443 CD ARG A 28 2.435 -6.053 0.829 1.00 0.00 C ATOM 444 NE ARG A 28 1.312 -5.810 -0.119 1.00 0.00 N ATOM 445 CZ ARG A 28 1.188 -6.549 -1.188 1.00 0.00 C ATOM 446 NH1 ARG A 28 2.003 -6.381 -2.195 1.00 0.00 N ATOM 447 NH2 ARG A 28 0.252 -7.455 -1.251 1.00 0.00 N ATOM 0 H ARG A 28 2.083 -4.042 3.437 1.00 0.00 H new ATOM 0 HA ARG A 28 4.797 -4.485 2.566 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.110 -3.681 1.586 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.380 -2.823 0.737 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.440 -4.736 -0.561 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.471 -5.333 0.724 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.854 -7.051 0.698 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.101 -5.981 1.864 1.00 0.00 H new ATOM 0 HE ARG A 28 0.640 -5.066 0.067 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.736 -5.673 -2.146 1.00 0.00 H new ATOM 0 HH12 ARG A 28 1.907 -6.958 -3.031 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -0.384 -7.587 -0.465 1.00 0.00 H new ATOM 0 HH22 ARG A 28 0.156 -8.032 -2.087 1.00 0.00 H new ATOM 461 N LYS A 29 4.010 -1.364 3.192 1.00 0.00 N ATOM 462 CA LYS A 29 4.638 -0.025 3.386 1.00 0.00 C ATOM 463 C LYS A 29 5.603 -0.061 4.574 1.00 0.00 C ATOM 464 O LYS A 29 6.667 0.525 4.540 1.00 0.00 O ATOM 465 CB LYS A 29 3.472 0.923 3.674 1.00 0.00 C ATOM 466 CG LYS A 29 3.817 2.327 3.171 1.00 0.00 C ATOM 467 CD LYS A 29 4.761 3.011 4.164 1.00 0.00 C ATOM 468 CE LYS A 29 4.280 4.439 4.431 1.00 0.00 C ATOM 469 NZ LYS A 29 4.556 5.181 3.169 1.00 0.00 N ATOM 0 H LYS A 29 3.014 -1.411 3.407 1.00 0.00 H new ATOM 0 HA LYS A 29 5.214 0.290 2.516 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.567 0.562 3.185 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.267 0.949 4.744 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.287 2.267 2.189 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.907 2.916 3.054 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.794 2.448 5.096 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.775 3.027 3.765 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.218 4.458 4.676 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.810 4.883 5.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.462 6.203 3.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.522 4.971 2.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.876 4.888 2.438 1.00 0.00 H new ATOM 483 N ALA A 30 5.238 -0.747 5.624 1.00 0.00 N ATOM 484 CA ALA A 30 6.131 -0.824 6.818 1.00 0.00 C ATOM 485 C ALA A 30 7.352 -1.695 6.508 1.00 0.00 C ATOM 486 O ALA A 30 8.477 -1.318 6.773 1.00 0.00 O ATOM 487 CB ALA A 30 5.278 -1.465 7.912 1.00 0.00 C ATOM 0 H ALA A 30 4.359 -1.258 5.707 1.00 0.00 H new ATOM 0 HA ALA A 30 6.506 0.155 7.117 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.866 -1.556 8.825 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.404 -0.842 8.104 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.954 -2.454 7.588 1.00 0.00 H new ATOM 493 N ARG A 31 7.137 -2.857 5.952 1.00 0.00 N ATOM 494 CA ARG A 31 8.285 -3.755 5.626 1.00 0.00 C ATOM 495 C ARG A 31 9.205 -3.087 4.601 1.00 0.00 C ATOM 496 O ARG A 31 10.415 -3.136 4.716 1.00 0.00 O ATOM 497 CB ARG A 31 7.651 -5.016 5.038 1.00 0.00 C ATOM 498 CG ARG A 31 7.564 -6.101 6.118 1.00 0.00 C ATOM 499 CD ARG A 31 8.120 -7.418 5.571 1.00 0.00 C ATOM 500 NE ARG A 31 7.221 -8.471 6.116 1.00 0.00 N ATOM 501 CZ ARG A 31 7.062 -9.593 5.468 1.00 0.00 C ATOM 502 NH1 ARG A 31 8.094 -10.191 4.939 1.00 0.00 N ATOM 503 NH2 ARG A 31 5.872 -10.117 5.351 1.00 0.00 N ATOM 0 H ARG A 31 6.217 -3.224 5.709 1.00 0.00 H new ATOM 0 HA ARG A 31 8.895 -3.978 6.501 1.00 0.00 H new ATOM 0 HB2 ARG A 31 6.656 -4.790 4.655 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.243 -5.374 4.196 1.00 0.00 H new ATOM 0 HG2 ARG A 31 8.127 -5.796 7.000 1.00 0.00 H new ATOM 0 HG3 ARG A 31 6.528 -6.234 6.431 1.00 0.00 H new ATOM 0 HD2 ARG A 31 8.120 -7.424 4.481 1.00 0.00 H new ATOM 0 HD3 ARG A 31 9.150 -7.574 5.890 1.00 0.00 H new ATOM 0 HE ARG A 31 6.729 -8.316 6.996 1.00 0.00 H new ATOM 0 HH11 ARG A 31 9.024 -9.782 5.032 1.00 0.00 H new ATOM 0 HH12 ARG A 31 7.971 -11.068 4.432 1.00 0.00 H new ATOM 0 HH21 ARG A 31 5.066 -9.650 5.766 1.00 0.00 H new ATOM 0 HH22 ARG A 31 5.748 -10.994 4.845 1.00 0.00 H new ATOM 517 N SER A 32 8.641 -2.464 3.601 1.00 0.00 N ATOM 518 CA SER A 32 9.485 -1.791 2.568 1.00 0.00 C ATOM 519 C SER A 32 10.308 -0.669 3.207 1.00 0.00 C ATOM 520 O SER A 32 11.494 -0.545 2.970 1.00 0.00 O ATOM 521 CB SER A 32 8.494 -1.218 1.555 1.00 0.00 C ATOM 522 OG SER A 32 9.201 -0.774 0.405 1.00 0.00 O ATOM 0 H SER A 32 7.634 -2.391 3.454 1.00 0.00 H new ATOM 0 HA SER A 32 10.191 -2.478 2.102 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.762 -1.976 1.276 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.941 -0.390 1.998 1.00 0.00 H new ATOM 0 HG SER A 32 8.568 -0.408 -0.247 1.00 0.00 H new ATOM 528 N ARG A 33 9.687 0.147 4.016 1.00 0.00 N ATOM 529 CA ARG A 33 10.432 1.264 4.671 1.00 0.00 C ATOM 530 C ARG A 33 11.540 0.705 5.569 1.00 0.00 C ATOM 531 O ARG A 33 12.649 1.203 5.582 1.00 0.00 O ATOM 532 CB ARG A 33 9.386 2.003 5.507 1.00 0.00 C ATOM 533 CG ARG A 33 10.035 3.209 6.198 1.00 0.00 C ATOM 534 CD ARG A 33 9.334 4.497 5.755 1.00 0.00 C ATOM 535 NE ARG A 33 10.270 5.131 4.787 1.00 0.00 N ATOM 536 CZ ARG A 33 11.323 5.769 5.218 1.00 0.00 C ATOM 537 NH1 ARG A 33 11.214 6.999 5.639 1.00 0.00 N ATOM 538 NH2 ARG A 33 12.486 5.176 5.230 1.00 0.00 N ATOM 0 H ARG A 33 8.696 0.089 4.252 1.00 0.00 H new ATOM 0 HA ARG A 33 10.912 1.921 3.946 1.00 0.00 H new ATOM 0 HB2 ARG A 33 8.566 2.334 4.871 1.00 0.00 H new ATOM 0 HB3 ARG A 33 8.960 1.331 6.252 1.00 0.00 H new ATOM 0 HG2 ARG A 33 9.967 3.100 7.280 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.095 3.256 5.949 1.00 0.00 H new ATOM 0 HD2 ARG A 33 8.371 4.283 5.291 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.140 5.153 6.604 1.00 0.00 H new ATOM 0 HE ARG A 33 10.088 5.067 3.785 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.305 7.462 5.631 1.00 0.00 H new ATOM 0 HH12 ARG A 33 12.038 7.498 5.976 1.00 0.00 H new ATOM 0 HH21 ARG A 33 12.571 4.214 4.902 1.00 0.00 H new ATOM 0 HH22 ARG A 33 13.309 5.675 5.567 1.00 0.00 H new ATOM 552 N GLN A 34 11.248 -0.323 6.319 1.00 0.00 N ATOM 553 CA GLN A 34 12.285 -0.913 7.218 1.00 0.00 C ATOM 554 C GLN A 34 13.376 -1.599 6.390 1.00 0.00 C ATOM 555 O GLN A 34 14.554 -1.422 6.633 1.00 0.00 O ATOM 556 CB GLN A 34 11.536 -1.938 8.070 1.00 0.00 C ATOM 557 CG GLN A 34 12.484 -2.521 9.120 1.00 0.00 C ATOM 558 CD GLN A 34 11.702 -2.839 10.395 1.00 0.00 C ATOM 559 OE1 GLN A 34 10.534 -3.170 10.338 1.00 0.00 O ATOM 560 NE2 GLN A 34 12.298 -2.751 11.552 1.00 0.00 N ATOM 0 H GLN A 34 10.337 -0.781 6.349 1.00 0.00 H new ATOM 0 HA GLN A 34 12.778 -0.157 7.829 1.00 0.00 H new ATOM 0 HB2 GLN A 34 10.682 -1.467 8.557 1.00 0.00 H new ATOM 0 HB3 GLN A 34 11.143 -2.734 7.438 1.00 0.00 H new ATOM 0 HG2 GLN A 34 12.957 -3.425 8.736 1.00 0.00 H new ATOM 0 HG3 GLN A 34 13.282 -1.812 9.338 1.00 0.00 H new ATOM 0 HE21 GLN A 34 13.278 -2.473 11.601 1.00 0.00 H new ATOM 0 HE22 GLN A 34 11.784 -2.960 12.408 1.00 0.00 H new ATOM 569 N ALA A 35 12.992 -2.381 5.417 1.00 0.00 N ATOM 570 CA ALA A 35 14.008 -3.081 4.575 1.00 0.00 C ATOM 571 C ALA A 35 14.827 -2.064 3.774 1.00 0.00 C ATOM 572 O ALA A 35 16.004 -2.252 3.536 1.00 0.00 O ATOM 573 CB ALA A 35 13.197 -3.974 3.634 1.00 0.00 C ATOM 0 H ALA A 35 12.020 -2.566 5.168 1.00 0.00 H new ATOM 0 HA ALA A 35 14.714 -3.655 5.175 1.00 0.00 H new ATOM 0 HB1 ALA A 35 13.874 -4.524 2.980 1.00 0.00 H new ATOM 0 HB2 ALA A 35 12.607 -4.678 4.220 1.00 0.00 H new ATOM 0 HB3 ALA A 35 12.531 -3.357 3.030 1.00 0.00 H new ATOM 579 N ARG A 36 14.213 -0.990 3.356 1.00 0.00 N ATOM 580 CA ARG A 36 14.957 0.038 2.568 1.00 0.00 C ATOM 581 C ARG A 36 15.909 0.820 3.479 1.00 0.00 C ATOM 582 O ARG A 36 17.061 1.030 3.150 1.00 0.00 O ATOM 583 CB ARG A 36 13.877 0.963 2.002 1.00 0.00 C ATOM 584 CG ARG A 36 14.456 1.774 0.841 1.00 0.00 C ATOM 585 CD ARG A 36 14.153 1.065 -0.481 1.00 0.00 C ATOM 586 NE ARG A 36 14.177 2.143 -1.510 1.00 0.00 N ATOM 587 CZ ARG A 36 13.059 2.661 -1.938 1.00 0.00 C ATOM 588 NH1 ARG A 36 12.067 1.884 -2.277 1.00 0.00 N ATOM 589 NH2 ARG A 36 12.933 3.958 -2.028 1.00 0.00 N ATOM 0 H ARG A 36 13.230 -0.779 3.525 1.00 0.00 H new ATOM 0 HA ARG A 36 15.566 -0.408 1.782 1.00 0.00 H new ATOM 0 HB2 ARG A 36 13.024 0.377 1.660 1.00 0.00 H new ATOM 0 HB3 ARG A 36 13.512 1.633 2.781 1.00 0.00 H new ATOM 0 HG2 ARG A 36 14.027 2.776 0.835 1.00 0.00 H new ATOM 0 HG3 ARG A 36 15.533 1.889 0.965 1.00 0.00 H new ATOM 0 HD2 ARG A 36 14.896 0.297 -0.696 1.00 0.00 H new ATOM 0 HD3 ARG A 36 13.182 0.570 -0.450 1.00 0.00 H new ATOM 0 HE ARG A 36 15.068 2.476 -1.879 1.00 0.00 H new ATOM 0 HH11 ARG A 36 12.166 0.871 -2.207 1.00 0.00 H new ATOM 0 HH12 ARG A 36 11.193 2.289 -2.612 1.00 0.00 H new ATOM 0 HH21 ARG A 36 13.709 4.565 -1.764 1.00 0.00 H new ATOM 0 HH22 ARG A 36 12.059 4.363 -2.363 1.00 0.00 H new ATOM 603 N GLN A 37 15.437 1.252 4.617 1.00 0.00 N ATOM 604 CA GLN A 37 16.317 2.021 5.547 1.00 0.00 C ATOM 605 C GLN A 37 17.324 1.085 6.220 1.00 0.00 C ATOM 606 O GLN A 37 18.479 1.422 6.394 1.00 0.00 O ATOM 607 CB GLN A 37 15.368 2.627 6.585 1.00 0.00 C ATOM 608 CG GLN A 37 15.665 4.120 6.742 1.00 0.00 C ATOM 609 CD GLN A 37 17.009 4.303 7.448 1.00 0.00 C ATOM 610 OE1 GLN A 37 17.249 3.718 8.486 1.00 0.00 O ATOM 611 NE2 GLN A 37 17.903 5.097 6.927 1.00 0.00 N ATOM 0 H GLN A 37 14.482 1.107 4.944 1.00 0.00 H new ATOM 0 HA GLN A 37 16.894 2.787 5.029 1.00 0.00 H new ATOM 0 HB2 GLN A 37 14.333 2.482 6.275 1.00 0.00 H new ATOM 0 HB3 GLN A 37 15.488 2.119 7.542 1.00 0.00 H new ATOM 0 HG2 GLN A 37 15.688 4.602 5.764 1.00 0.00 H new ATOM 0 HG3 GLN A 37 14.873 4.601 7.316 1.00 0.00 H new ATOM 0 HE21 GLN A 37 17.703 5.589 6.056 1.00 0.00 H new ATOM 0 HE22 GLN A 37 18.802 5.226 7.391 1.00 0.00 H new ATOM 620 N SER A 38 16.895 -0.090 6.601 1.00 0.00 N ATOM 621 CA SER A 38 17.829 -1.049 7.265 1.00 0.00 C ATOM 622 C SER A 38 18.979 -1.411 6.322 1.00 0.00 C ATOM 623 O SER A 38 20.138 -1.308 6.675 1.00 0.00 O ATOM 624 CB SER A 38 16.981 -2.283 7.573 1.00 0.00 C ATOM 625 OG SER A 38 17.753 -3.207 8.327 1.00 0.00 O ATOM 0 H SER A 38 15.940 -0.427 6.482 1.00 0.00 H new ATOM 0 HA SER A 38 18.278 -0.628 8.165 1.00 0.00 H new ATOM 0 HB2 SER A 38 16.090 -1.996 8.131 1.00 0.00 H new ATOM 0 HB3 SER A 38 16.642 -2.746 6.646 1.00 0.00 H new ATOM 0 HG SER A 38 17.211 -3.999 8.528 1.00 0.00 H new ATOM 631 N ARG A 39 18.669 -1.835 5.126 1.00 0.00 N ATOM 632 CA ARG A 39 19.746 -2.206 4.160 1.00 0.00 C ATOM 633 C ARG A 39 20.536 -0.963 3.743 1.00 0.00 C ATOM 634 O ARG A 39 21.746 -0.997 3.621 1.00 0.00 O ATOM 635 CB ARG A 39 19.013 -2.805 2.957 1.00 0.00 C ATOM 636 CG ARG A 39 18.359 -4.127 3.363 1.00 0.00 C ATOM 637 CD ARG A 39 19.283 -5.292 2.993 1.00 0.00 C ATOM 638 NE ARG A 39 18.388 -6.315 2.384 1.00 0.00 N ATOM 639 CZ ARG A 39 18.352 -7.525 2.872 1.00 0.00 C ATOM 640 NH1 ARG A 39 19.381 -8.314 2.733 1.00 0.00 N ATOM 641 NH2 ARG A 39 17.288 -7.944 3.499 1.00 0.00 N ATOM 0 H ARG A 39 17.717 -1.941 4.775 1.00 0.00 H new ATOM 0 HA ARG A 39 20.462 -2.906 4.591 1.00 0.00 H new ATOM 0 HB2 ARG A 39 18.256 -2.109 2.596 1.00 0.00 H new ATOM 0 HB3 ARG A 39 19.712 -2.970 2.137 1.00 0.00 H new ATOM 0 HG2 ARG A 39 18.161 -4.133 4.435 1.00 0.00 H new ATOM 0 HG3 ARG A 39 17.398 -4.238 2.861 1.00 0.00 H new ATOM 0 HD2 ARG A 39 20.056 -4.976 2.292 1.00 0.00 H new ATOM 0 HD3 ARG A 39 19.792 -5.686 3.872 1.00 0.00 H new ATOM 0 HE ARG A 39 17.803 -6.070 1.585 1.00 0.00 H new ATOM 0 HH11 ARG A 39 20.213 -7.985 2.243 1.00 0.00 H new ATOM 0 HH12 ARG A 39 19.354 -9.260 3.114 1.00 0.00 H new ATOM 0 HH21 ARG A 39 16.484 -7.326 3.608 1.00 0.00 H new ATOM 0 HH22 ARG A 39 17.260 -8.890 3.880 1.00 0.00 H new ATOM 655 N ARG A 40 19.862 0.134 3.523 1.00 0.00 N ATOM 656 CA ARG A 40 20.574 1.381 3.114 1.00 0.00 C ATOM 657 C ARG A 40 21.400 1.927 4.283 1.00 0.00 C ATOM 658 O ARG A 40 22.517 2.374 4.110 1.00 0.00 O ATOM 659 CB ARG A 40 19.465 2.366 2.734 1.00 0.00 C ATOM 660 CG ARG A 40 20.084 3.686 2.270 1.00 0.00 C ATOM 661 CD ARG A 40 19.047 4.490 1.483 1.00 0.00 C ATOM 662 NE ARG A 40 19.793 5.054 0.324 1.00 0.00 N ATOM 663 CZ ARG A 40 19.782 6.341 0.105 1.00 0.00 C ATOM 664 NH1 ARG A 40 20.599 7.121 0.758 1.00 0.00 N ATOM 665 NH2 ARG A 40 18.955 6.846 -0.770 1.00 0.00 N ATOM 0 H ARG A 40 18.849 0.221 3.609 1.00 0.00 H new ATOM 0 HA ARG A 40 21.266 1.209 2.290 1.00 0.00 H new ATOM 0 HB2 ARG A 40 18.847 1.945 1.941 1.00 0.00 H new ATOM 0 HB3 ARG A 40 18.812 2.540 3.589 1.00 0.00 H new ATOM 0 HG2 ARG A 40 20.428 4.260 3.130 1.00 0.00 H new ATOM 0 HG3 ARG A 40 20.957 3.491 1.647 1.00 0.00 H new ATOM 0 HD2 ARG A 40 18.225 3.856 1.152 1.00 0.00 H new ATOM 0 HD3 ARG A 40 18.613 5.281 2.095 1.00 0.00 H new ATOM 0 HE ARG A 40 20.312 4.435 -0.298 1.00 0.00 H new ATOM 0 HH11 ARG A 40 21.246 6.725 1.440 1.00 0.00 H new ATOM 0 HH12 ARG A 40 20.590 8.126 0.587 1.00 0.00 H new ATOM 0 HH21 ARG A 40 18.318 6.235 -1.282 1.00 0.00 H new ATOM 0 HH22 ARG A 40 18.946 7.851 -0.942 1.00 0.00 H new ATOM 679 N SER A 41 20.857 1.895 5.468 1.00 0.00 N ATOM 680 CA SER A 41 21.608 2.414 6.650 1.00 0.00 C ATOM 681 C SER A 41 22.832 1.544 6.931 1.00 0.00 C ATOM 682 O SER A 41 23.930 2.038 7.098 1.00 0.00 O ATOM 683 CB SER A 41 20.635 2.319 7.813 1.00 0.00 C ATOM 684 OG SER A 41 19.599 3.277 7.645 1.00 0.00 O ATOM 0 H SER A 41 19.926 1.532 5.671 1.00 0.00 H new ATOM 0 HA SER A 41 21.963 3.431 6.486 1.00 0.00 H new ATOM 0 HB2 SER A 41 20.212 1.316 7.866 1.00 0.00 H new ATOM 0 HB3 SER A 41 21.158 2.494 8.753 1.00 0.00 H new ATOM 0 HG SER A 41 18.897 3.119 8.310 1.00 0.00 H new ATOM 690 N THR A 42 22.651 0.250 6.992 1.00 0.00 N ATOM 691 CA THR A 42 23.806 -0.652 7.269 1.00 0.00 C ATOM 692 C THR A 42 24.934 -0.352 6.286 1.00 0.00 C ATOM 693 O THR A 42 26.024 0.022 6.674 1.00 0.00 O ATOM 694 CB THR A 42 23.268 -2.066 7.048 1.00 0.00 C ATOM 695 OG1 THR A 42 22.135 -2.276 7.880 1.00 0.00 O ATOM 696 CG2 THR A 42 24.353 -3.087 7.391 1.00 0.00 C ATOM 0 H THR A 42 21.755 -0.219 6.862 1.00 0.00 H new ATOM 0 HA THR A 42 24.206 -0.525 8.275 1.00 0.00 H new ATOM 0 HB THR A 42 22.979 -2.186 6.004 1.00 0.00 H new ATOM 0 HG1 THR A 42 21.321 -2.261 7.334 1.00 0.00 H new ATOM 0 HG21 THR A 42 23.968 -4.094 7.233 1.00 0.00 H new ATOM 0 HG22 THR A 42 25.220 -2.925 6.751 1.00 0.00 H new ATOM 0 HG23 THR A 42 24.646 -2.970 8.434 1.00 0.00 H new ATOM 704 N GLN A 43 24.668 -0.491 5.014 1.00 0.00 N ATOM 705 CA GLN A 43 25.706 -0.193 3.984 1.00 0.00 C ATOM 706 C GLN A 43 25.225 -0.653 2.604 1.00 0.00 C ATOM 707 O GLN A 43 24.046 -0.853 2.383 1.00 0.00 O ATOM 708 CB GLN A 43 26.957 -0.985 4.398 1.00 0.00 C ATOM 709 CG GLN A 43 28.070 -0.014 4.803 1.00 0.00 C ATOM 710 CD GLN A 43 29.414 -0.529 4.283 1.00 0.00 C ATOM 711 OE1 GLN A 43 29.624 -1.722 4.189 1.00 0.00 O ATOM 712 NE2 GLN A 43 30.337 0.326 3.937 1.00 0.00 N ATOM 0 H GLN A 43 23.770 -0.800 4.642 1.00 0.00 H new ATOM 0 HA GLN A 43 25.912 0.876 3.922 1.00 0.00 H new ATOM 0 HB2 GLN A 43 26.720 -1.650 5.229 1.00 0.00 H new ATOM 0 HB3 GLN A 43 27.291 -1.613 3.573 1.00 0.00 H new ATOM 0 HG2 GLN A 43 27.867 0.977 4.397 1.00 0.00 H new ATOM 0 HG3 GLN A 43 28.102 0.086 5.888 1.00 0.00 H new ATOM 0 HE21 GLN A 43 30.160 1.327 4.016 1.00 0.00 H new ATOM 0 HE22 GLN A 43 31.235 -0.007 3.587 1.00 0.00 H new ATOM 721 N GLY A 44 26.130 -0.827 1.677 1.00 0.00 N ATOM 722 CA GLY A 44 25.732 -1.280 0.313 1.00 0.00 C ATOM 723 C GLY A 44 25.032 -0.141 -0.422 1.00 0.00 C ATOM 724 O GLY A 44 24.101 -0.356 -1.176 1.00 0.00 O ATOM 0 H GLY A 44 27.130 -0.674 1.807 1.00 0.00 H new ATOM 0 HA2 GLY A 44 26.612 -1.600 -0.246 1.00 0.00 H new ATOM 0 HA3 GLY A 44 25.069 -2.142 0.384 1.00 0.00 H new ATOM 728 N VAL A 45 25.470 1.070 -0.215 1.00 0.00 N ATOM 729 CA VAL A 45 24.828 2.221 -0.909 1.00 0.00 C ATOM 730 C VAL A 45 25.838 3.345 -1.135 1.00 0.00 C ATOM 731 O VAL A 45 25.988 3.841 -2.236 1.00 0.00 O ATOM 732 CB VAL A 45 23.697 2.690 0.008 1.00 0.00 C ATOM 733 CG1 VAL A 45 22.542 1.690 -0.056 1.00 0.00 C ATOM 734 CG2 VAL A 45 24.186 2.805 1.458 1.00 0.00 C ATOM 0 H VAL A 45 26.244 1.312 0.404 1.00 0.00 H new ATOM 0 HA VAL A 45 24.451 1.933 -1.890 1.00 0.00 H new ATOM 0 HB VAL A 45 23.362 3.671 -0.328 1.00 0.00 H new ATOM 0 HG11 VAL A 45 21.736 2.023 0.597 1.00 0.00 H new ATOM 0 HG12 VAL A 45 22.175 1.623 -1.080 1.00 0.00 H new ATOM 0 HG13 VAL A 45 22.891 0.710 0.269 1.00 0.00 H new ATOM 0 HG21 VAL A 45 23.366 3.140 2.093 1.00 0.00 H new ATOM 0 HG22 VAL A 45 24.537 1.832 1.802 1.00 0.00 H new ATOM 0 HG23 VAL A 45 25.003 3.525 1.510 1.00 0.00 H new ATOM 744 N THR A 46 26.544 3.745 -0.112 1.00 0.00 N ATOM 745 CA THR A 46 27.556 4.829 -0.285 1.00 0.00 C ATOM 746 C THR A 46 28.610 4.394 -1.302 1.00 0.00 C ATOM 747 O THR A 46 29.383 5.189 -1.799 1.00 0.00 O ATOM 748 CB THR A 46 28.185 5.025 1.096 1.00 0.00 C ATOM 749 OG1 THR A 46 28.850 3.830 1.484 1.00 0.00 O ATOM 750 CG2 THR A 46 27.096 5.360 2.116 1.00 0.00 C ATOM 0 H THR A 46 26.465 3.370 0.833 1.00 0.00 H new ATOM 0 HA THR A 46 27.113 5.754 -0.655 1.00 0.00 H new ATOM 0 HB THR A 46 28.902 5.845 1.055 1.00 0.00 H new ATOM 0 HG1 THR A 46 29.255 3.953 2.368 1.00 0.00 H new ATOM 0 HG21 THR A 46 27.548 5.499 3.098 1.00 0.00 H new ATOM 0 HG22 THR A 46 26.588 6.277 1.818 1.00 0.00 H new ATOM 0 HG23 THR A 46 26.375 4.543 2.160 1.00 0.00 H new ATOM 758 N LEU A 47 28.632 3.133 -1.610 1.00 0.00 N ATOM 759 CA LEU A 47 29.615 2.605 -2.591 1.00 0.00 C ATOM 760 C LEU A 47 28.885 2.031 -3.813 1.00 0.00 C ATOM 761 O LEU A 47 29.495 1.727 -4.820 1.00 0.00 O ATOM 762 CB LEU A 47 30.349 1.495 -1.839 1.00 0.00 C ATOM 763 CG LEU A 47 31.820 1.879 -1.660 1.00 0.00 C ATOM 764 CD1 LEU A 47 31.920 3.111 -0.759 1.00 0.00 C ATOM 765 CD2 LEU A 47 32.572 0.713 -1.014 1.00 0.00 C ATOM 0 H LEU A 47 28.001 2.434 -1.218 1.00 0.00 H new ATOM 0 HA LEU A 47 30.294 3.374 -2.959 1.00 0.00 H new ATOM 0 HB2 LEU A 47 29.885 1.333 -0.866 1.00 0.00 H new ATOM 0 HB3 LEU A 47 30.272 0.557 -2.389 1.00 0.00 H new ATOM 0 HG LEU A 47 32.259 2.104 -2.632 1.00 0.00 H new ATOM 0 HD11 LEU A 47 32.967 3.384 -0.631 1.00 0.00 H new ATOM 0 HD12 LEU A 47 31.381 3.941 -1.216 1.00 0.00 H new ATOM 0 HD13 LEU A 47 31.483 2.887 0.214 1.00 0.00 H new ATOM 0 HD21 LEU A 47 33.620 0.983 -0.885 1.00 0.00 H new ATOM 0 HD22 LEU A 47 32.132 0.490 -0.042 1.00 0.00 H new ATOM 0 HD23 LEU A 47 32.500 -0.166 -1.655 1.00 0.00 H new ATOM 777 N THR A 48 27.585 1.877 -3.733 1.00 0.00 N ATOM 778 CA THR A 48 26.832 1.319 -4.894 1.00 0.00 C ATOM 779 C THR A 48 25.748 2.302 -5.342 1.00 0.00 C ATOM 780 O THR A 48 25.585 2.568 -6.517 1.00 0.00 O ATOM 781 CB THR A 48 26.202 0.027 -4.372 1.00 0.00 C ATOM 782 OG1 THR A 48 27.170 -0.704 -3.633 1.00 0.00 O ATOM 783 CG2 THR A 48 25.711 -0.817 -5.549 1.00 0.00 C ATOM 0 H THR A 48 27.018 2.113 -2.918 1.00 0.00 H new ATOM 0 HA THR A 48 27.474 1.140 -5.756 1.00 0.00 H new ATOM 0 HB THR A 48 25.358 0.269 -3.726 1.00 0.00 H new ATOM 0 HG1 THR A 48 26.768 -1.532 -3.296 1.00 0.00 H new ATOM 0 HG21 THR A 48 25.262 -1.737 -5.175 1.00 0.00 H new ATOM 0 HG22 THR A 48 24.968 -0.255 -6.115 1.00 0.00 H new ATOM 0 HG23 THR A 48 26.552 -1.061 -6.198 1.00 0.00 H new ATOM 791 N ASP A 49 25.008 2.842 -4.412 1.00 0.00 N ATOM 792 CA ASP A 49 23.931 3.811 -4.777 1.00 0.00 C ATOM 793 C ASP A 49 24.511 4.969 -5.597 1.00 0.00 C ATOM 794 O ASP A 49 23.844 5.543 -6.436 1.00 0.00 O ATOM 795 CB ASP A 49 23.383 4.320 -3.443 1.00 0.00 C ATOM 796 CG ASP A 49 22.058 5.046 -3.678 1.00 0.00 C ATOM 797 OD1 ASP A 49 21.292 4.584 -4.509 1.00 0.00 O ATOM 798 OD2 ASP A 49 21.831 6.050 -3.024 1.00 0.00 O ATOM 0 H ASP A 49 25.102 2.655 -3.414 1.00 0.00 H new ATOM 0 HA ASP A 49 23.154 3.350 -5.387 1.00 0.00 H new ATOM 0 HB2 ASP A 49 23.236 3.486 -2.757 1.00 0.00 H new ATOM 0 HB3 ASP A 49 24.101 4.994 -2.976 1.00 0.00 H new ATOM 803 N LEU A 50 25.750 5.314 -5.359 1.00 0.00 N ATOM 804 CA LEU A 50 26.374 6.434 -6.125 1.00 0.00 C ATOM 805 C LEU A 50 26.393 6.107 -7.619 1.00 0.00 C ATOM 806 O LEU A 50 26.206 6.971 -8.455 1.00 0.00 O ATOM 807 CB LEU A 50 27.801 6.541 -5.582 1.00 0.00 C ATOM 808 CG LEU A 50 27.879 7.680 -4.564 1.00 0.00 C ATOM 809 CD1 LEU A 50 27.220 7.242 -3.254 1.00 0.00 C ATOM 810 CD2 LEU A 50 29.345 8.030 -4.304 1.00 0.00 C ATOM 0 H LEU A 50 26.356 4.870 -4.669 1.00 0.00 H new ATOM 0 HA LEU A 50 25.823 7.368 -6.011 1.00 0.00 H new ATOM 0 HB2 LEU A 50 28.094 5.601 -5.114 1.00 0.00 H new ATOM 0 HB3 LEU A 50 28.499 6.722 -6.399 1.00 0.00 H new ATOM 0 HG LEU A 50 27.359 8.554 -4.957 1.00 0.00 H new ATOM 0 HD11 LEU A 50 27.276 8.054 -2.529 1.00 0.00 H new ATOM 0 HD12 LEU A 50 26.175 6.991 -3.438 1.00 0.00 H new ATOM 0 HD13 LEU A 50 27.739 6.368 -2.860 1.00 0.00 H new ATOM 0 HD21 LEU A 50 29.402 8.842 -3.579 1.00 0.00 H new ATOM 0 HD22 LEU A 50 29.864 7.155 -3.912 1.00 0.00 H new ATOM 0 HD23 LEU A 50 29.815 8.343 -5.236 1.00 0.00 H new ATOM 822 N GLN A 51 26.615 4.866 -7.962 1.00 0.00 N ATOM 823 CA GLN A 51 26.644 4.481 -9.404 1.00 0.00 C ATOM 824 C GLN A 51 25.287 4.761 -10.053 1.00 0.00 C ATOM 825 O GLN A 51 25.205 5.120 -11.211 1.00 0.00 O ATOM 826 CB GLN A 51 26.942 2.980 -9.409 1.00 0.00 C ATOM 827 CG GLN A 51 27.818 2.638 -10.616 1.00 0.00 C ATOM 828 CD GLN A 51 27.969 1.118 -10.723 1.00 0.00 C ATOM 829 OE1 GLN A 51 27.876 0.415 -9.737 1.00 0.00 O ATOM 830 NE2 GLN A 51 28.199 0.579 -11.889 1.00 0.00 N ATOM 0 H GLN A 51 26.778 4.102 -7.306 1.00 0.00 H new ATOM 0 HA GLN A 51 27.388 5.045 -9.967 1.00 0.00 H new ATOM 0 HB2 GLN A 51 27.448 2.696 -8.487 1.00 0.00 H new ATOM 0 HB3 GLN A 51 26.011 2.414 -9.449 1.00 0.00 H new ATOM 0 HG2 GLN A 51 27.371 3.035 -11.527 1.00 0.00 H new ATOM 0 HG3 GLN A 51 28.797 3.105 -10.512 1.00 0.00 H new ATOM 0 HE21 GLN A 51 28.277 1.169 -12.717 1.00 0.00 H new ATOM 0 HE22 GLN A 51 28.301 -0.433 -11.972 1.00 0.00 H new ATOM 839 N GLU A 52 24.222 4.601 -9.313 1.00 0.00 N ATOM 840 CA GLU A 52 22.868 4.861 -9.885 1.00 0.00 C ATOM 841 C GLU A 52 22.660 6.364 -10.083 1.00 0.00 C ATOM 842 O GLU A 52 22.106 6.799 -11.074 1.00 0.00 O ATOM 843 CB GLU A 52 21.886 4.314 -8.849 1.00 0.00 C ATOM 844 CG GLU A 52 20.510 4.137 -9.494 1.00 0.00 C ATOM 845 CD GLU A 52 19.462 3.898 -8.404 1.00 0.00 C ATOM 846 OE1 GLU A 52 19.563 4.528 -7.364 1.00 0.00 O ATOM 847 OE2 GLU A 52 18.577 3.090 -8.628 1.00 0.00 O ATOM 0 H GLU A 52 24.231 4.302 -8.338 1.00 0.00 H new ATOM 0 HA GLU A 52 22.733 4.390 -10.859 1.00 0.00 H new ATOM 0 HB2 GLU A 52 22.243 3.360 -8.462 1.00 0.00 H new ATOM 0 HB3 GLU A 52 21.817 4.996 -8.002 1.00 0.00 H new ATOM 0 HG2 GLU A 52 20.252 5.023 -10.074 1.00 0.00 H new ATOM 0 HG3 GLU A 52 20.527 3.296 -10.188 1.00 0.00 H new ATOM 854 N ALA A 53 23.102 7.161 -9.146 1.00 0.00 N ATOM 855 CA ALA A 53 22.932 8.639 -9.277 1.00 0.00 C ATOM 856 C ALA A 53 23.625 9.139 -10.548 1.00 0.00 C ATOM 857 O ALA A 53 23.107 9.975 -11.261 1.00 0.00 O ATOM 858 CB ALA A 53 23.599 9.229 -8.034 1.00 0.00 C ATOM 0 H ALA A 53 23.573 6.853 -8.296 1.00 0.00 H new ATOM 0 HA ALA A 53 21.884 8.929 -9.351 1.00 0.00 H new ATOM 0 HB1 ALA A 53 23.515 10.316 -8.057 1.00 0.00 H new ATOM 0 HB2 ALA A 53 23.106 8.846 -7.140 1.00 0.00 H new ATOM 0 HB3 ALA A 53 24.652 8.946 -8.017 1.00 0.00 H new ATOM 864 N GLU A 54 24.794 8.631 -10.834 1.00 0.00 N ATOM 865 CA GLU A 54 25.522 9.074 -12.060 1.00 0.00 C ATOM 866 C GLU A 54 24.854 8.493 -13.308 1.00 0.00 C ATOM 867 O GLU A 54 24.830 9.110 -14.355 1.00 0.00 O ATOM 868 CB GLU A 54 26.940 8.519 -11.904 1.00 0.00 C ATOM 869 CG GLU A 54 27.865 9.612 -11.357 1.00 0.00 C ATOM 870 CD GLU A 54 28.337 9.230 -9.952 1.00 0.00 C ATOM 871 OE1 GLU A 54 29.070 8.261 -9.839 1.00 0.00 O ATOM 872 OE2 GLU A 54 27.958 9.912 -9.015 1.00 0.00 O ATOM 0 H GLU A 54 25.276 7.929 -10.273 1.00 0.00 H new ATOM 0 HA GLU A 54 25.520 10.158 -12.172 1.00 0.00 H new ATOM 0 HB2 GLU A 54 26.934 7.663 -11.229 1.00 0.00 H new ATOM 0 HB3 GLU A 54 27.310 8.164 -12.866 1.00 0.00 H new ATOM 0 HG2 GLU A 54 28.723 9.741 -12.017 1.00 0.00 H new ATOM 0 HG3 GLU A 54 27.339 10.566 -11.328 1.00 0.00 H new ATOM 879 N LYS A 55 24.309 7.310 -13.203 1.00 0.00 N ATOM 880 CA LYS A 55 23.640 6.686 -14.384 1.00 0.00 C ATOM 881 C LYS A 55 22.444 7.538 -14.821 1.00 0.00 C ATOM 882 O LYS A 55 22.109 7.600 -15.987 1.00 0.00 O ATOM 883 CB LYS A 55 23.173 5.309 -13.903 1.00 0.00 C ATOM 884 CG LYS A 55 23.913 4.216 -14.679 1.00 0.00 C ATOM 885 CD LYS A 55 25.403 4.262 -14.332 1.00 0.00 C ATOM 886 CE LYS A 55 26.227 3.876 -15.563 1.00 0.00 C ATOM 887 NZ LYS A 55 27.639 3.863 -15.091 1.00 0.00 N ATOM 0 H LYS A 55 24.298 6.749 -12.352 1.00 0.00 H new ATOM 0 HA LYS A 55 24.308 6.608 -15.242 1.00 0.00 H new ATOM 0 HB2 LYS A 55 23.362 5.202 -12.835 1.00 0.00 H new ATOM 0 HB3 LYS A 55 22.097 5.207 -14.048 1.00 0.00 H new ATOM 0 HG2 LYS A 55 23.501 3.238 -14.432 1.00 0.00 H new ATOM 0 HG3 LYS A 55 23.774 4.359 -15.751 1.00 0.00 H new ATOM 0 HD2 LYS A 55 25.678 5.262 -13.996 1.00 0.00 H new ATOM 0 HD3 LYS A 55 25.617 3.579 -13.510 1.00 0.00 H new ATOM 0 HE2 LYS A 55 25.930 2.900 -15.947 1.00 0.00 H new ATOM 0 HE3 LYS A 55 26.088 4.593 -16.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 28.266 3.606 -15.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 27.896 4.807 -14.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 27.743 3.167 -14.326 1.00 0.00 H new ATOM 901 N THR A 56 21.799 8.193 -13.892 1.00 0.00 N ATOM 902 CA THR A 56 20.625 9.042 -14.252 1.00 0.00 C ATOM 903 C THR A 56 21.043 10.134 -15.240 1.00 0.00 C ATOM 904 O THR A 56 20.271 10.554 -16.080 1.00 0.00 O ATOM 905 CB THR A 56 20.160 9.662 -12.933 1.00 0.00 C ATOM 906 OG1 THR A 56 20.181 8.672 -11.913 1.00 0.00 O ATOM 907 CG2 THR A 56 18.738 10.202 -13.094 1.00 0.00 C ATOM 0 H THR A 56 22.034 8.177 -12.900 1.00 0.00 H new ATOM 0 HA THR A 56 19.834 8.466 -14.732 1.00 0.00 H new ATOM 0 HB THR A 56 20.827 10.480 -12.660 1.00 0.00 H new ATOM 0 HG1 THR A 56 20.992 8.776 -11.373 1.00 0.00 H new ATOM 0 HG21 THR A 56 18.408 10.643 -12.154 1.00 0.00 H new ATOM 0 HG22 THR A 56 18.723 10.961 -13.876 1.00 0.00 H new ATOM 0 HG23 THR A 56 18.068 9.387 -13.367 1.00 0.00 H new ATOM 915 N ILE A 57 22.264 10.597 -15.145 1.00 0.00 N ATOM 916 CA ILE A 57 22.745 11.664 -16.077 1.00 0.00 C ATOM 917 C ILE A 57 21.782 12.856 -16.067 1.00 0.00 C ATOM 918 O ILE A 57 20.798 12.876 -16.780 1.00 0.00 O ATOM 919 CB ILE A 57 22.777 11.006 -17.459 1.00 0.00 C ATOM 920 CG1 ILE A 57 23.725 9.805 -17.432 1.00 0.00 C ATOM 921 CG2 ILE A 57 23.272 12.017 -18.496 1.00 0.00 C ATOM 922 CD1 ILE A 57 23.476 8.929 -18.662 1.00 0.00 C ATOM 0 H ILE A 57 22.951 10.281 -14.460 1.00 0.00 H new ATOM 0 HA ILE A 57 23.723 12.049 -15.789 1.00 0.00 H new ATOM 0 HB ILE A 57 21.773 10.673 -17.723 1.00 0.00 H new ATOM 0 HG12 ILE A 57 24.760 10.146 -17.419 1.00 0.00 H new ATOM 0 HG13 ILE A 57 23.569 9.225 -16.522 1.00 0.00 H new ATOM 0 HG21 ILE A 57 23.295 11.548 -19.480 1.00 0.00 H new ATOM 0 HG22 ILE A 57 22.599 12.874 -18.518 1.00 0.00 H new ATOM 0 HG23 ILE A 57 24.275 12.350 -18.230 1.00 0.00 H new ATOM 0 HD11 ILE A 57 24.151 8.074 -18.642 1.00 0.00 H new ATOM 0 HD12 ILE A 57 22.444 8.577 -18.655 1.00 0.00 H new ATOM 0 HD13 ILE A 57 23.655 9.512 -19.566 1.00 0.00 H new ATOM 934 N GLY A 58 22.061 13.849 -15.266 1.00 0.00 N ATOM 935 CA GLY A 58 21.165 15.040 -15.209 1.00 0.00 C ATOM 936 C GLY A 58 21.966 16.299 -15.545 1.00 0.00 C ATOM 937 O GLY A 58 22.443 16.994 -14.669 1.00 0.00 O ATOM 0 H GLY A 58 22.872 13.887 -14.648 1.00 0.00 H new ATOM 0 HA2 GLY A 58 20.341 14.922 -15.913 1.00 0.00 H new ATOM 0 HA3 GLY A 58 20.726 15.130 -14.216 1.00 0.00 H new ATOM 941 N ARG A 59 22.116 16.599 -16.808 1.00 0.00 N ATOM 942 CA ARG A 59 22.888 17.815 -17.202 1.00 0.00 C ATOM 943 C ARG A 59 22.203 19.073 -16.660 1.00 0.00 C ATOM 944 O ARG A 59 22.672 19.692 -15.725 1.00 0.00 O ATOM 945 CB ARG A 59 22.879 17.817 -18.733 1.00 0.00 C ATOM 946 CG ARG A 59 24.239 17.344 -19.257 1.00 0.00 C ATOM 947 CD ARG A 59 24.143 15.877 -19.682 1.00 0.00 C ATOM 948 NE ARG A 59 23.355 15.896 -20.946 1.00 0.00 N ATOM 949 CZ ARG A 59 23.560 14.983 -21.857 1.00 0.00 C ATOM 950 NH1 ARG A 59 23.614 13.724 -21.518 1.00 0.00 N ATOM 951 NH2 ARG A 59 23.712 15.331 -23.105 1.00 0.00 N ATOM 0 H ARG A 59 21.738 16.055 -17.584 1.00 0.00 H new ATOM 0 HA ARG A 59 23.902 17.806 -16.802 1.00 0.00 H new ATOM 0 HB2 ARG A 59 22.089 17.164 -19.103 1.00 0.00 H new ATOM 0 HB3 ARG A 59 22.664 18.819 -19.104 1.00 0.00 H new ATOM 0 HG2 ARG A 59 24.548 17.959 -20.102 1.00 0.00 H new ATOM 0 HG3 ARG A 59 24.998 17.460 -18.484 1.00 0.00 H new ATOM 0 HD2 ARG A 59 25.132 15.445 -19.839 1.00 0.00 H new ATOM 0 HD3 ARG A 59 23.650 15.276 -18.918 1.00 0.00 H new ATOM 0 HE ARG A 59 22.655 16.622 -21.100 1.00 0.00 H new ATOM 0 HH11 ARG A 59 23.496 13.453 -20.542 1.00 0.00 H new ATOM 0 HH12 ARG A 59 23.774 13.011 -22.229 1.00 0.00 H new ATOM 0 HH21 ARG A 59 23.671 16.315 -23.369 1.00 0.00 H new ATOM 0 HH22 ARG A 59 23.872 14.619 -23.817 1.00 0.00 H new ATOM 965 N SER A 60 21.096 19.454 -17.240 1.00 0.00 N ATOM 966 CA SER A 60 20.379 20.671 -16.759 1.00 0.00 C ATOM 967 C SER A 60 18.965 20.718 -17.346 1.00 0.00 C ATOM 968 O SER A 60 18.849 20.760 -18.560 1.00 0.00 O ATOM 969 CB SER A 60 21.211 21.847 -17.269 1.00 0.00 C ATOM 970 OG SER A 60 20.858 23.020 -16.547 1.00 0.00 O ATOM 971 OXT SER A 60 18.024 20.712 -16.570 1.00 0.00 O ATOM 0 H SER A 60 20.657 18.975 -18.026 1.00 0.00 H new ATOM 0 HA SER A 60 20.273 20.687 -15.674 1.00 0.00 H new ATOM 0 HB2 SER A 60 22.273 21.636 -17.146 1.00 0.00 H new ATOM 0 HB3 SER A 60 21.037 21.996 -18.335 1.00 0.00 H new ATOM 0 HG SER A 60 21.391 23.776 -16.870 1.00 0.00 H new TER 977 SER A 60