USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 650 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 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.3: A 59 SER OG : rot 180:sc= -0.336 USER MOD Set 2.1: A 43 ASN : amide:sc= 0.193 K(o=-2.9,f=-4.9!) USER MOD Set 2.2: A 46 SER OG : rot 180:sc= 0 USER MOD Set 2.3: A 48 MET CE :methyl -176:sc= -3.06! (180deg=-3.15) USER MOD Set 3.1: A 40 LYS NZ :NH3+ -148:sc= -2.28! (180deg=-4.04!) USER MOD Set 3.2: A 52 SER OG : rot -33:sc= 0.181 USER MOD Set 4.1: A 12 THR OG1 : rot -129:sc= 0.261! USER MOD Set 4.2: A 15 HIS : no HE2:sc= -19.7! C(o=-19!,f=-37!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -19.9! C(o=-20!,f=-14!) USER MOD Single : A 20 THR OG1 : rot 105:sc= -0.145! USER MOD Single : A 24 GLN : amide:sc= -0.924 K(o=-0.92,f=-2.2!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -57:sc= 0.0273 USER MOD Single : A 28 LYS NZ :NH3+ -138:sc= -0.148 (180deg=-4.51!) USER MOD Single : A 30 ASN : amide:sc= -0.299 K(o=-0.3,f=-2.7!) USER MOD Single : A 31 SER OG : rot 110:sc= -2.68 USER MOD Single : A 34 ASN : amide:sc= -4.57! C(o=-4.6!,f=-7.4!) USER MOD Single : A 41 SER OG : rot 180:sc= -0.978! USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl -161:sc= -5.06! (180deg=-6.97!) USER MOD Single : A 57 GLN : amide:sc= -0.123 K(o=-0.12,f=-1.9!) USER MOD Single : A 62 THR OG1 : rot 64:sc= -7.65! USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.191 USER MOD Single : A 74 MET CE :methyl -148:sc= -6.04! (180deg=-6.59!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -9.81! C(o=-9.8!,f=-11!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N GLU A 2 -2.007 -9.462 -8.836 1.00 1.00 N ATOM 19 CA GLU A 2 -1.585 -8.415 -9.752 1.00 1.00 C ATOM 20 C GLU A 2 -1.184 -7.160 -8.975 1.00 1.00 C ATOM 21 O GLU A 2 -0.592 -7.253 -7.901 1.00 1.00 O ATOM 22 CB GLU A 2 -2.683 -8.103 -10.771 1.00 1.00 C ATOM 23 CG GLU A 2 -3.463 -9.366 -11.141 1.00 1.00 C ATOM 24 CD GLU A 2 -4.603 -9.042 -12.109 1.00 1.00 C ATOM 25 OE1 GLU A 2 -4.449 -8.052 -12.856 1.00 1.00 O ATOM 26 OE2 GLU A 2 -5.602 -9.792 -12.080 1.00 1.00 O ATOM 0 HA GLU A 2 -0.714 -8.770 -10.303 1.00 1.00 H new ATOM 0 HB2 GLU A 2 -3.364 -7.358 -10.360 1.00 1.00 H new ATOM 0 HB3 GLU A 2 -2.240 -7.670 -11.667 1.00 1.00 H new ATOM 0 HG2 GLU A 2 -2.790 -10.093 -11.596 1.00 1.00 H new ATOM 0 HG3 GLU A 2 -3.867 -9.826 -10.239 1.00 1.00 H new ATOM 33 N LYS A 3 -1.522 -6.015 -9.549 1.00 1.00 N ATOM 34 CA LYS A 3 -1.204 -4.742 -8.925 1.00 1.00 C ATOM 35 C LYS A 3 -2.431 -3.829 -8.984 1.00 1.00 C ATOM 36 O LYS A 3 -3.183 -3.857 -9.957 1.00 1.00 O ATOM 37 CB LYS A 3 0.048 -4.131 -9.558 1.00 1.00 C ATOM 38 CG LYS A 3 -0.283 -2.820 -10.273 1.00 1.00 C ATOM 39 CD LYS A 3 0.850 -2.408 -11.215 1.00 1.00 C ATOM 40 CE LYS A 3 0.938 -3.353 -12.414 1.00 1.00 C ATOM 41 NZ LYS A 3 0.895 -2.589 -13.681 1.00 1.00 N ATOM 0 H LYS A 3 -2.013 -5.942 -10.440 1.00 1.00 H new ATOM 0 HA LYS A 3 -0.962 -4.885 -7.872 1.00 1.00 H new ATOM 0 HB2 LYS A 3 0.798 -3.950 -8.788 1.00 1.00 H new ATOM 0 HB3 LYS A 3 0.483 -4.836 -10.267 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -1.208 -2.934 -10.839 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -0.454 -2.034 -9.538 1.00 1.00 H new ATOM 0 HD2 LYS A 3 0.686 -1.388 -11.563 1.00 1.00 H new ATOM 0 HD3 LYS A 3 1.796 -2.412 -10.674 1.00 1.00 H new ATOM 0 HE2 LYS A 3 1.861 -3.931 -12.362 1.00 1.00 H new ATOM 0 HE3 LYS A 3 0.114 -4.066 -12.384 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 0.956 -3.246 -14.485 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 0.003 -2.057 -13.735 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 1.696 -1.926 -13.714 1.00 1.00 H new ATOM 55 N LYS A 4 -2.594 -3.041 -7.931 1.00 1.00 N ATOM 56 CA LYS A 4 -3.716 -2.122 -7.852 1.00 1.00 C ATOM 57 C LYS A 4 -3.197 -0.715 -7.548 1.00 1.00 C ATOM 58 O LYS A 4 -2.702 -0.455 -6.453 1.00 1.00 O ATOM 59 CB LYS A 4 -4.751 -2.626 -6.844 1.00 1.00 C ATOM 60 CG LYS A 4 -6.099 -1.930 -7.048 1.00 1.00 C ATOM 61 CD LYS A 4 -6.785 -2.427 -8.322 1.00 1.00 C ATOM 62 CE LYS A 4 -8.067 -1.638 -8.597 1.00 1.00 C ATOM 63 NZ LYS A 4 -8.736 -2.146 -9.816 1.00 1.00 N ATOM 0 H LYS A 4 -1.968 -3.020 -7.126 1.00 1.00 H new ATOM 0 HA LYS A 4 -4.235 -2.071 -8.809 1.00 1.00 H new ATOM 0 HB2 LYS A 4 -4.874 -3.704 -6.952 1.00 1.00 H new ATOM 0 HB3 LYS A 4 -4.394 -2.446 -5.830 1.00 1.00 H new ATOM 0 HG2 LYS A 4 -6.742 -2.116 -6.188 1.00 1.00 H new ATOM 0 HG3 LYS A 4 -5.950 -0.852 -7.108 1.00 1.00 H new ATOM 0 HD2 LYS A 4 -6.105 -2.329 -9.168 1.00 1.00 H new ATOM 0 HD3 LYS A 4 -7.020 -3.487 -8.223 1.00 1.00 H new ATOM 0 HE2 LYS A 4 -8.741 -1.719 -7.744 1.00 1.00 H new ATOM 0 HE3 LYS A 4 -7.832 -0.581 -8.718 1.00 1.00 H new ATOM 0 HZ1 LYS A 4 -9.604 -1.600 -9.989 1.00 1.00 H new ATOM 0 HZ2 LYS A 4 -8.097 -2.046 -10.630 1.00 1.00 H new ATOM 0 HZ3 LYS A 4 -8.978 -3.149 -9.687 1.00 1.00 H new ATOM 77 N GLU A 5 -3.328 0.156 -8.538 1.00 1.00 N ATOM 78 CA GLU A 5 -2.878 1.530 -8.391 1.00 1.00 C ATOM 79 C GLU A 5 -3.923 2.352 -7.634 1.00 1.00 C ATOM 80 O GLU A 5 -5.083 1.954 -7.542 1.00 1.00 O ATOM 81 CB GLU A 5 -2.571 2.155 -9.753 1.00 1.00 C ATOM 82 CG GLU A 5 -1.700 1.224 -10.600 1.00 1.00 C ATOM 83 CD GLU A 5 -2.537 0.504 -11.659 1.00 1.00 C ATOM 84 OE1 GLU A 5 -3.230 -0.463 -11.274 1.00 1.00 O ATOM 85 OE2 GLU A 5 -2.465 0.936 -12.830 1.00 1.00 O ATOM 0 H GLU A 5 -3.739 -0.063 -9.445 1.00 1.00 H new ATOM 0 HA GLU A 5 -1.955 1.530 -7.812 1.00 1.00 H new ATOM 0 HB2 GLU A 5 -3.502 2.366 -10.279 1.00 1.00 H new ATOM 0 HB3 GLU A 5 -2.061 3.108 -9.613 1.00 1.00 H new ATOM 0 HG2 GLU A 5 -0.911 1.799 -11.084 1.00 1.00 H new ATOM 0 HG3 GLU A 5 -1.212 0.492 -9.957 1.00 1.00 H new ATOM 92 N PHE A 6 -3.473 3.483 -7.110 1.00 1.00 N ATOM 93 CA PHE A 6 -4.355 4.365 -6.364 1.00 1.00 C ATOM 94 C PHE A 6 -3.729 5.751 -6.194 1.00 1.00 C ATOM 95 O PHE A 6 -2.664 6.026 -6.745 1.00 1.00 O ATOM 96 CB PHE A 6 -4.552 3.735 -4.984 1.00 1.00 C ATOM 97 CG PHE A 6 -5.169 2.335 -5.020 1.00 1.00 C ATOM 98 CD1 PHE A 6 -6.502 2.185 -5.241 1.00 1.00 C ATOM 99 CD2 PHE A 6 -4.383 1.241 -4.832 1.00 1.00 C ATOM 100 CE1 PHE A 6 -7.074 0.886 -5.275 1.00 1.00 C ATOM 101 CE2 PHE A 6 -4.955 -0.058 -4.867 1.00 1.00 C ATOM 102 CZ PHE A 6 -6.289 -0.208 -5.088 1.00 1.00 C ATOM 0 H PHE A 6 -2.510 3.809 -7.187 1.00 1.00 H new ATOM 0 HA PHE A 6 -5.299 4.485 -6.896 1.00 1.00 H new ATOM 0 HB2 PHE A 6 -3.587 3.683 -4.479 1.00 1.00 H new ATOM 0 HB3 PHE A 6 -5.190 4.386 -4.386 1.00 1.00 H new ATOM 0 HD1 PHE A 6 -7.126 3.054 -5.391 1.00 1.00 H new ATOM 0 HD2 PHE A 6 -3.324 1.360 -4.656 1.00 1.00 H new ATOM 0 HE1 PHE A 6 -8.133 0.767 -5.449 1.00 1.00 H new ATOM 0 HE2 PHE A 6 -4.331 -0.927 -4.718 1.00 1.00 H new ATOM 0 HZ PHE A 6 -6.724 -1.196 -5.115 1.00 1.00 H new ATOM 112 N HIS A 7 -4.418 6.586 -5.431 1.00 1.00 N ATOM 113 CA HIS A 7 -3.943 7.937 -5.182 1.00 1.00 C ATOM 114 C HIS A 7 -4.356 8.375 -3.776 1.00 1.00 C ATOM 115 O HIS A 7 -5.457 8.064 -3.323 1.00 1.00 O ATOM 116 CB HIS A 7 -4.433 8.894 -6.270 1.00 1.00 C ATOM 117 CG HIS A 7 -4.806 10.265 -5.759 1.00 1.00 C ATOM 118 ND1 HIS A 7 -4.247 11.429 -6.257 1.00 1.00 N ATOM 119 CD2 HIS A 7 -5.688 10.646 -4.791 1.00 1.00 C ATOM 120 CE1 HIS A 7 -4.774 12.457 -5.610 1.00 1.00 C ATOM 121 NE2 HIS A 7 -5.667 11.970 -4.701 1.00 1.00 N ATOM 0 H HIS A 7 -5.301 6.354 -4.977 1.00 1.00 H new ATOM 0 HA HIS A 7 -2.854 7.958 -5.226 1.00 1.00 H new ATOM 0 HB2 HIS A 7 -3.654 8.998 -7.025 1.00 1.00 H new ATOM 0 HB3 HIS A 7 -5.299 8.454 -6.764 1.00 1.00 H new ATOM 0 HD2 HIS A 7 -6.300 9.983 -4.198 1.00 1.00 H new ATOM 0 HE1 HIS A 7 -4.538 13.498 -5.773 1.00 1.00 H new ATOM 0 HE2 HIS A 7 -6.226 12.531 -4.058 1.00 1.00 H new ATOM 129 N ILE A 8 -3.451 9.091 -3.124 1.00 1.00 N ATOM 130 CA ILE A 8 -3.708 9.575 -1.779 1.00 1.00 C ATOM 131 C ILE A 8 -4.774 10.672 -1.831 1.00 1.00 C ATOM 132 O ILE A 8 -4.652 11.626 -2.597 1.00 1.00 O ATOM 133 CB ILE A 8 -2.405 10.017 -1.110 1.00 1.00 C ATOM 134 CG1 ILE A 8 -1.408 8.858 -1.035 1.00 1.00 C ATOM 135 CG2 ILE A 8 -2.675 10.632 0.265 1.00 1.00 C ATOM 136 CD1 ILE A 8 -2.134 7.516 -0.932 1.00 1.00 C ATOM 0 H ILE A 8 -2.539 9.347 -3.503 1.00 1.00 H new ATOM 0 HA ILE A 8 -4.104 8.773 -1.156 1.00 1.00 H new ATOM 0 HB ILE A 8 -1.951 10.794 -1.725 1.00 1.00 H new ATOM 0 HG12 ILE A 8 -0.771 8.864 -1.919 1.00 1.00 H new ATOM 0 HG13 ILE A 8 -0.756 8.990 -0.172 1.00 1.00 H new ATOM 0 HG21 ILE A 8 -1.732 10.938 0.718 1.00 1.00 H new ATOM 0 HG22 ILE A 8 -3.323 11.502 0.154 1.00 1.00 H new ATOM 0 HG23 ILE A 8 -3.163 9.896 0.904 1.00 1.00 H new ATOM 0 HD11 ILE A 8 -1.402 6.710 -0.880 1.00 1.00 H new ATOM 0 HD12 ILE A 8 -2.751 7.504 -0.034 1.00 1.00 H new ATOM 0 HD13 ILE A 8 -2.766 7.376 -1.809 1.00 1.00 H new ATOM 148 N VAL A 9 -5.797 10.499 -1.006 1.00 1.00 N ATOM 149 CA VAL A 9 -6.883 11.461 -0.948 1.00 1.00 C ATOM 150 C VAL A 9 -7.007 12.000 0.478 1.00 1.00 C ATOM 151 O VAL A 9 -7.918 12.771 0.778 1.00 1.00 O ATOM 152 CB VAL A 9 -8.176 10.822 -1.459 1.00 1.00 C ATOM 153 CG1 VAL A 9 -8.103 10.568 -2.967 1.00 1.00 C ATOM 154 CG2 VAL A 9 -8.487 9.531 -0.700 1.00 1.00 C ATOM 0 H VAL A 9 -5.896 9.706 -0.372 1.00 1.00 H new ATOM 0 HA VAL A 9 -6.675 12.310 -1.599 1.00 1.00 H new ATOM 0 HB VAL A 9 -8.991 11.522 -1.276 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -9.034 10.113 -3.305 1.00 1.00 H new ATOM 0 HG12 VAL A 9 -7.950 11.513 -3.488 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -7.272 9.896 -3.183 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -9.411 9.097 -1.083 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -7.670 8.823 -0.837 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -8.602 9.752 0.361 1.00 1.00 H new ATOM 164 N ALA A 10 -6.076 11.574 1.320 1.00 1.00 N ATOM 165 CA ALA A 10 -6.069 12.005 2.708 1.00 1.00 C ATOM 166 C ALA A 10 -5.292 13.317 2.827 1.00 1.00 C ATOM 167 O ALA A 10 -5.443 14.046 3.806 1.00 1.00 O ATOM 168 CB ALA A 10 -5.479 10.897 3.583 1.00 1.00 C ATOM 0 H ALA A 10 -5.322 10.935 1.068 1.00 1.00 H new ATOM 0 HA ALA A 10 -7.085 12.191 3.057 1.00 1.00 H new ATOM 0 HB1 ALA A 10 -5.473 11.220 4.624 1.00 1.00 H new ATOM 0 HB2 ALA A 10 -6.084 9.996 3.486 1.00 1.00 H new ATOM 0 HB3 ALA A 10 -4.459 10.685 3.263 1.00 1.00 H new ATOM 174 N GLU A 11 -4.478 13.579 1.815 1.00 1.00 N ATOM 175 CA GLU A 11 -3.677 14.792 1.793 1.00 1.00 C ATOM 176 C GLU A 11 -3.010 15.011 3.153 1.00 1.00 C ATOM 177 O GLU A 11 -2.560 16.115 3.457 1.00 1.00 O ATOM 178 CB GLU A 11 -4.525 16.002 1.397 1.00 1.00 C ATOM 179 CG GLU A 11 -5.610 16.277 2.440 1.00 1.00 C ATOM 180 CD GLU A 11 -6.280 17.629 2.190 1.00 1.00 C ATOM 181 OE1 GLU A 11 -7.031 17.715 1.194 1.00 1.00 O ATOM 182 OE2 GLU A 11 -6.027 18.546 3.000 1.00 1.00 O ATOM 0 H GLU A 11 -4.356 12.972 1.004 1.00 1.00 H new ATOM 0 HA GLU A 11 -2.896 14.676 1.041 1.00 1.00 H new ATOM 0 HB2 GLU A 11 -3.886 16.879 1.292 1.00 1.00 H new ATOM 0 HB3 GLU A 11 -4.986 15.825 0.425 1.00 1.00 H new ATOM 0 HG2 GLU A 11 -6.358 15.485 2.409 1.00 1.00 H new ATOM 0 HG3 GLU A 11 -5.172 16.263 3.438 1.00 1.00 H new ATOM 189 N THR A 12 -2.967 13.942 3.935 1.00 1.00 N ATOM 190 CA THR A 12 -2.363 14.004 5.255 1.00 1.00 C ATOM 191 C THR A 12 -0.837 14.022 5.142 1.00 1.00 C ATOM 192 O THR A 12 -0.186 14.943 5.633 1.00 1.00 O ATOM 193 CB THR A 12 -2.898 12.829 6.075 1.00 1.00 C ATOM 194 OG1 THR A 12 -2.649 13.208 7.426 1.00 1.00 O ATOM 195 CG2 THR A 12 -2.068 11.557 5.886 1.00 1.00 C ATOM 0 H THR A 12 -3.341 13.028 3.680 1.00 1.00 H new ATOM 0 HA THR A 12 -2.630 14.927 5.770 1.00 1.00 H new ATOM 0 HB THR A 12 -3.933 12.632 5.795 1.00 1.00 H new ATOM 0 HG1 THR A 12 -2.179 12.483 7.888 1.00 1.00 H new ATOM 0 HG21 THR A 12 -2.490 10.754 6.490 1.00 1.00 H new ATOM 0 HG22 THR A 12 -2.081 11.267 4.835 1.00 1.00 H new ATOM 0 HG23 THR A 12 -1.040 11.743 6.198 1.00 1.00 H new ATOM 203 N GLY A 13 -0.311 12.994 4.493 1.00 1.00 N ATOM 204 CA GLY A 13 1.126 12.880 4.310 1.00 1.00 C ATOM 205 C GLY A 13 1.600 11.449 4.571 1.00 1.00 C ATOM 206 O GLY A 13 2.786 11.216 4.798 1.00 1.00 O ATOM 0 H GLY A 13 -0.854 12.232 4.087 1.00 1.00 H new ATOM 0 HA2 GLY A 13 1.392 13.175 3.295 1.00 1.00 H new ATOM 0 HA3 GLY A 13 1.638 13.565 4.986 1.00 1.00 H new ATOM 210 N ILE A 14 0.649 10.528 4.529 1.00 1.00 N ATOM 211 CA ILE A 14 0.954 9.126 4.758 1.00 1.00 C ATOM 212 C ILE A 14 1.964 9.009 5.902 1.00 1.00 C ATOM 213 O ILE A 14 3.135 8.711 5.673 1.00 1.00 O ATOM 214 CB ILE A 14 1.415 8.459 3.461 1.00 1.00 C ATOM 215 CG1 ILE A 14 0.244 8.273 2.494 1.00 1.00 C ATOM 216 CG2 ILE A 14 2.137 7.141 3.748 1.00 1.00 C ATOM 217 CD1 ILE A 14 -0.796 9.380 2.672 1.00 1.00 C ATOM 0 H ILE A 14 -0.334 10.725 4.340 1.00 1.00 H new ATOM 0 HA ILE A 14 0.058 8.587 5.066 1.00 1.00 H new ATOM 0 HB ILE A 14 2.133 9.119 2.974 1.00 1.00 H new ATOM 0 HG12 ILE A 14 0.611 8.276 1.468 1.00 1.00 H new ATOM 0 HG13 ILE A 14 -0.221 7.302 2.663 1.00 1.00 H new ATOM 0 HG21 ILE A 14 2.454 6.688 2.809 1.00 1.00 H new ATOM 0 HG22 ILE A 14 3.010 7.333 4.371 1.00 1.00 H new ATOM 0 HG23 ILE A 14 1.462 6.462 4.269 1.00 1.00 H new ATOM 0 HD11 ILE A 14 -1.617 9.224 1.973 1.00 1.00 H new ATOM 0 HD12 ILE A 14 -1.179 9.359 3.692 1.00 1.00 H new ATOM 0 HD13 ILE A 14 -0.334 10.348 2.478 1.00 1.00 H new ATOM 229 N HIS A 15 1.472 9.248 7.109 1.00 1.00 N ATOM 230 CA HIS A 15 2.316 9.173 8.289 1.00 1.00 C ATOM 231 C HIS A 15 2.149 7.806 8.954 1.00 1.00 C ATOM 232 O HIS A 15 1.336 6.994 8.515 1.00 1.00 O ATOM 233 CB HIS A 15 2.024 10.335 9.241 1.00 1.00 C ATOM 234 CG HIS A 15 0.578 10.771 9.252 1.00 1.00 C ATOM 235 ND1 HIS A 15 -0.349 10.271 10.149 1.00 1.00 N ATOM 236 CD2 HIS A 15 -0.089 11.665 8.467 1.00 1.00 C ATOM 237 CE1 HIS A 15 -1.519 10.844 9.906 1.00 1.00 C ATOM 238 NE2 HIS A 15 -1.355 11.708 8.862 1.00 1.00 N ATOM 0 H HIS A 15 0.500 9.494 7.295 1.00 1.00 H new ATOM 0 HA HIS A 15 3.362 9.271 7.999 1.00 1.00 H new ATOM 0 HB2 HIS A 15 2.313 10.045 10.251 1.00 1.00 H new ATOM 0 HB3 HIS A 15 2.647 11.185 8.963 1.00 1.00 H new ATOM 0 HD1 HIS A 15 -0.163 9.579 10.875 1.00 1.00 H new ATOM 0 HD2 HIS A 15 0.341 12.241 7.660 1.00 1.00 H new ATOM 0 HE1 HIS A 15 -2.440 10.660 10.440 1.00 1.00 H new ATOM 246 N ALA A 16 2.933 7.592 10.001 1.00 1.00 N ATOM 247 CA ALA A 16 2.882 6.337 10.730 1.00 1.00 C ATOM 248 C ALA A 16 1.425 5.890 10.867 1.00 1.00 C ATOM 249 O ALA A 16 1.132 4.696 10.827 1.00 1.00 O ATOM 250 CB ALA A 16 3.569 6.506 12.087 1.00 1.00 C ATOM 0 H ALA A 16 3.607 8.267 10.361 1.00 1.00 H new ATOM 0 HA ALA A 16 3.417 5.557 10.188 1.00 1.00 H new ATOM 0 HB1 ALA A 16 3.531 5.564 12.634 1.00 1.00 H new ATOM 0 HB2 ALA A 16 4.609 6.795 11.935 1.00 1.00 H new ATOM 0 HB3 ALA A 16 3.057 7.279 12.660 1.00 1.00 H new ATOM 256 N ARG A 17 0.550 6.872 11.024 1.00 1.00 N ATOM 257 CA ARG A 17 -0.869 6.595 11.166 1.00 1.00 C ATOM 258 C ARG A 17 -1.424 5.989 9.875 1.00 1.00 C ATOM 259 O ARG A 17 -1.719 4.797 9.822 1.00 1.00 O ATOM 260 CB ARG A 17 -1.648 7.869 11.500 1.00 1.00 C ATOM 261 CG ARG A 17 -1.903 7.978 13.004 1.00 1.00 C ATOM 262 CD ARG A 17 -0.589 8.122 13.774 1.00 1.00 C ATOM 263 NE ARG A 17 -0.351 9.544 14.108 1.00 1.00 N ATOM 264 CZ ARG A 17 0.422 9.958 15.121 1.00 1.00 C ATOM 265 NH1 ARG A 17 1.037 9.062 15.905 1.00 1.00 N ATOM 266 NH2 ARG A 17 0.580 11.269 15.351 1.00 1.00 N ATOM 0 H ARG A 17 0.797 7.861 11.056 1.00 1.00 H new ATOM 0 HA ARG A 17 -0.988 5.885 11.984 1.00 1.00 H new ATOM 0 HB2 ARG A 17 -1.090 8.741 11.158 1.00 1.00 H new ATOM 0 HB3 ARG A 17 -2.598 7.869 10.966 1.00 1.00 H new ATOM 0 HG2 ARG A 17 -2.543 8.837 13.207 1.00 1.00 H new ATOM 0 HG3 ARG A 17 -2.437 7.093 13.351 1.00 1.00 H new ATOM 0 HD2 ARG A 17 -0.626 7.527 14.686 1.00 1.00 H new ATOM 0 HD3 ARG A 17 0.237 7.737 13.175 1.00 1.00 H new ATOM 0 HE ARG A 17 -0.804 10.253 13.531 1.00 1.00 H new ATOM 0 HH11 ARG A 17 0.917 8.064 15.731 1.00 1.00 H new ATOM 0 HH12 ARG A 17 1.625 9.378 16.676 1.00 1.00 H new ATOM 0 HH21 ARG A 17 0.112 11.951 14.755 1.00 1.00 H new ATOM 0 HH22 ARG A 17 1.168 11.584 16.122 1.00 1.00 H new ATOM 280 N PRO A 18 -1.552 6.861 8.840 1.00 1.00 N ATOM 281 CA PRO A 18 -2.066 6.425 7.553 1.00 1.00 C ATOM 282 C PRO A 18 -1.015 5.618 6.788 1.00 1.00 C ATOM 283 O PRO A 18 -1.355 4.729 6.009 1.00 1.00 O ATOM 284 CB PRO A 18 -2.469 7.703 6.836 1.00 1.00 C ATOM 285 CG PRO A 18 -1.742 8.830 7.552 1.00 1.00 C ATOM 286 CD PRO A 18 -1.212 8.281 8.866 1.00 1.00 C ATOM 0 HA PRO A 18 -2.918 5.751 7.647 1.00 1.00 H new ATOM 0 HB2 PRO A 18 -2.189 7.665 5.783 1.00 1.00 H new ATOM 0 HB3 PRO A 18 -3.549 7.848 6.874 1.00 1.00 H new ATOM 0 HG2 PRO A 18 -0.924 9.207 6.938 1.00 1.00 H new ATOM 0 HG3 PRO A 18 -2.417 9.666 7.732 1.00 1.00 H new ATOM 0 HD2 PRO A 18 -0.135 8.429 8.951 1.00 1.00 H new ATOM 0 HD3 PRO A 18 -1.671 8.782 9.718 1.00 1.00 H new ATOM 294 N ALA A 19 0.242 5.956 7.037 1.00 1.00 N ATOM 295 CA ALA A 19 1.345 5.274 6.382 1.00 1.00 C ATOM 296 C ALA A 19 1.263 3.776 6.682 1.00 1.00 C ATOM 297 O ALA A 19 1.258 2.954 5.767 1.00 1.00 O ATOM 298 CB ALA A 19 2.669 5.888 6.839 1.00 1.00 C ATOM 0 H ALA A 19 0.521 6.694 7.684 1.00 1.00 H new ATOM 0 HA ALA A 19 1.284 5.398 5.301 1.00 1.00 H new ATOM 0 HB1 ALA A 19 3.496 5.376 6.347 1.00 1.00 H new ATOM 0 HB2 ALA A 19 2.689 6.946 6.576 1.00 1.00 H new ATOM 0 HB3 ALA A 19 2.766 5.780 7.919 1.00 1.00 H new ATOM 304 N THR A 20 1.200 3.465 7.969 1.00 1.00 N ATOM 305 CA THR A 20 1.118 2.080 8.402 1.00 1.00 C ATOM 306 C THR A 20 -0.268 1.508 8.099 1.00 1.00 C ATOM 307 O THR A 20 -0.403 0.323 7.801 1.00 1.00 O ATOM 308 CB THR A 20 1.488 2.026 9.885 1.00 1.00 C ATOM 309 OG1 THR A 20 2.281 3.192 10.089 1.00 1.00 O ATOM 310 CG2 THR A 20 2.436 0.870 10.211 1.00 1.00 C ATOM 0 H THR A 20 1.204 4.149 8.726 1.00 1.00 H new ATOM 0 HA THR A 20 1.820 1.452 7.855 1.00 1.00 H new ATOM 0 HB THR A 20 0.580 1.931 10.481 1.00 1.00 H new ATOM 0 HG1 THR A 20 1.752 3.869 10.560 1.00 1.00 H new ATOM 0 HG21 THR A 20 2.666 0.878 11.276 1.00 1.00 H new ATOM 0 HG22 THR A 20 1.960 -0.075 9.950 1.00 1.00 H new ATOM 0 HG23 THR A 20 3.357 0.983 9.640 1.00 1.00 H new ATOM 318 N LEU A 21 -1.264 2.378 8.188 1.00 1.00 N ATOM 319 CA LEU A 21 -2.635 1.974 7.927 1.00 1.00 C ATOM 320 C LEU A 21 -2.670 1.063 6.698 1.00 1.00 C ATOM 321 O LEU A 21 -3.240 -0.026 6.744 1.00 1.00 O ATOM 322 CB LEU A 21 -3.542 3.200 7.809 1.00 1.00 C ATOM 323 CG LEU A 21 -5.017 2.980 8.151 1.00 1.00 C ATOM 324 CD1 LEU A 21 -5.832 4.252 7.910 1.00 1.00 C ATOM 325 CD2 LEU A 21 -5.584 1.782 7.385 1.00 1.00 C ATOM 0 H LEU A 21 -1.149 3.360 8.437 1.00 1.00 H new ATOM 0 HA LEU A 21 -3.026 1.396 8.764 1.00 1.00 H new ATOM 0 HB2 LEU A 21 -3.151 3.980 8.462 1.00 1.00 H new ATOM 0 HB3 LEU A 21 -3.479 3.577 6.788 1.00 1.00 H new ATOM 0 HG LEU A 21 -5.090 2.748 9.213 1.00 1.00 H new ATOM 0 HD11 LEU A 21 -6.877 4.068 8.161 1.00 1.00 H new ATOM 0 HD12 LEU A 21 -5.445 5.056 8.536 1.00 1.00 H new ATOM 0 HD13 LEU A 21 -5.756 4.540 6.861 1.00 1.00 H new ATOM 0 HD21 LEU A 21 -6.634 1.647 7.646 1.00 1.00 H new ATOM 0 HD22 LEU A 21 -5.497 1.961 6.313 1.00 1.00 H new ATOM 0 HD23 LEU A 21 -5.026 0.884 7.650 1.00 1.00 H new ATOM 337 N LEU A 22 -2.052 1.542 5.629 1.00 1.00 N ATOM 338 CA LEU A 22 -2.004 0.784 4.390 1.00 1.00 C ATOM 339 C LEU A 22 -1.032 -0.386 4.550 1.00 1.00 C ATOM 340 O LEU A 22 -1.382 -1.531 4.265 1.00 1.00 O ATOM 341 CB LEU A 22 -1.672 1.703 3.212 1.00 1.00 C ATOM 342 CG LEU A 22 -0.494 2.658 3.418 1.00 1.00 C ATOM 343 CD1 LEU A 22 0.672 2.297 2.495 1.00 1.00 C ATOM 344 CD2 LEU A 22 -0.931 4.114 3.247 1.00 1.00 C ATOM 0 H LEU A 22 -1.580 2.446 5.595 1.00 1.00 H new ATOM 0 HA LEU A 22 -2.982 0.358 4.166 1.00 1.00 H new ATOM 0 HB2 LEU A 22 -1.463 1.083 2.340 1.00 1.00 H new ATOM 0 HB3 LEU A 22 -2.557 2.295 2.978 1.00 1.00 H new ATOM 0 HG LEU A 22 -0.140 2.547 4.443 1.00 1.00 H new ATOM 0 HD11 LEU A 22 1.496 2.991 2.661 1.00 1.00 H new ATOM 0 HD12 LEU A 22 1.004 1.281 2.709 1.00 1.00 H new ATOM 0 HD13 LEU A 22 0.347 2.362 1.456 1.00 1.00 H new ATOM 0 HD21 LEU A 22 -0.075 4.771 3.399 1.00 1.00 H new ATOM 0 HD22 LEU A 22 -1.326 4.260 2.242 1.00 1.00 H new ATOM 0 HD23 LEU A 22 -1.704 4.350 3.979 1.00 1.00 H new ATOM 356 N VAL A 23 0.168 -0.059 5.005 1.00 1.00 N ATOM 357 CA VAL A 23 1.193 -1.069 5.206 1.00 1.00 C ATOM 358 C VAL A 23 0.672 -2.133 6.174 1.00 1.00 C ATOM 359 O VAL A 23 0.828 -3.329 5.931 1.00 1.00 O ATOM 360 CB VAL A 23 2.490 -0.412 5.682 1.00 1.00 C ATOM 361 CG1 VAL A 23 2.554 1.053 5.245 1.00 1.00 C ATOM 362 CG2 VAL A 23 2.644 -0.539 7.199 1.00 1.00 C ATOM 0 H VAL A 23 0.454 0.891 5.240 1.00 1.00 H new ATOM 0 HA VAL A 23 1.424 -1.570 4.266 1.00 1.00 H new ATOM 0 HB VAL A 23 3.323 -0.938 5.216 1.00 1.00 H new ATOM 0 HG11 VAL A 23 3.486 1.497 5.596 1.00 1.00 H new ATOM 0 HG12 VAL A 23 2.512 1.110 4.157 1.00 1.00 H new ATOM 0 HG13 VAL A 23 1.710 1.597 5.670 1.00 1.00 H new ATOM 0 HG21 VAL A 23 3.574 -0.064 7.511 1.00 1.00 H new ATOM 0 HG22 VAL A 23 1.804 -0.051 7.692 1.00 1.00 H new ATOM 0 HG23 VAL A 23 2.664 -1.593 7.476 1.00 1.00 H new ATOM 372 N GLN A 24 0.062 -1.659 7.251 1.00 1.00 N ATOM 373 CA GLN A 24 -0.483 -2.555 8.257 1.00 1.00 C ATOM 374 C GLN A 24 -1.488 -3.518 7.622 1.00 1.00 C ATOM 375 O GLN A 24 -1.522 -4.699 7.963 1.00 1.00 O ATOM 376 CB GLN A 24 -1.126 -1.768 9.401 1.00 1.00 C ATOM 377 CG GLN A 24 -2.410 -1.078 8.938 1.00 1.00 C ATOM 378 CD GLN A 24 -3.367 -0.856 10.111 1.00 1.00 C ATOM 379 OE1 GLN A 24 -3.443 0.216 10.689 1.00 1.00 O ATOM 380 NE2 GLN A 24 -4.090 -1.926 10.430 1.00 1.00 N ATOM 0 H GLN A 24 -0.067 -0.667 7.449 1.00 1.00 H new ATOM 0 HA GLN A 24 0.336 -3.140 8.676 1.00 1.00 H new ATOM 0 HB2 GLN A 24 -1.349 -2.440 10.229 1.00 1.00 H new ATOM 0 HB3 GLN A 24 -0.423 -1.023 9.775 1.00 1.00 H new ATOM 0 HG2 GLN A 24 -2.167 -0.121 8.476 1.00 1.00 H new ATOM 0 HG3 GLN A 24 -2.898 -1.685 8.175 1.00 1.00 H new ATOM 0 HE21 GLN A 24 -3.977 -2.793 9.905 1.00 1.00 H new ATOM 0 HE22 GLN A 24 -4.757 -1.879 11.200 1.00 1.00 H new ATOM 389 N THR A 25 -2.281 -2.977 6.708 1.00 1.00 N ATOM 390 CA THR A 25 -3.283 -3.774 6.022 1.00 1.00 C ATOM 391 C THR A 25 -2.659 -4.510 4.835 1.00 1.00 C ATOM 392 O THR A 25 -3.170 -5.541 4.400 1.00 1.00 O ATOM 393 CB THR A 25 -4.434 -2.847 5.625 1.00 1.00 C ATOM 394 OG1 THR A 25 -5.507 -3.240 6.477 1.00 1.00 O ATOM 395 CG2 THR A 25 -4.955 -3.130 4.215 1.00 1.00 C ATOM 0 H THR A 25 -2.249 -1.997 6.427 1.00 1.00 H new ATOM 0 HA THR A 25 -3.682 -4.552 6.673 1.00 1.00 H new ATOM 0 HB THR A 25 -4.102 -1.811 5.688 1.00 1.00 H new ATOM 0 HG1 THR A 25 -6.294 -2.688 6.288 1.00 1.00 H new ATOM 0 HG21 THR A 25 -5.770 -2.445 3.984 1.00 1.00 H new ATOM 0 HG22 THR A 25 -4.149 -2.991 3.495 1.00 1.00 H new ATOM 0 HG23 THR A 25 -5.317 -4.157 4.160 1.00 1.00 H new ATOM 403 N ALA A 26 -1.563 -3.951 4.343 1.00 1.00 N ATOM 404 CA ALA A 26 -0.864 -4.541 3.214 1.00 1.00 C ATOM 405 C ALA A 26 0.142 -5.573 3.727 1.00 1.00 C ATOM 406 O ALA A 26 0.391 -6.582 3.069 1.00 1.00 O ATOM 407 CB ALA A 26 -0.198 -3.436 2.392 1.00 1.00 C ATOM 0 H ALA A 26 -1.142 -3.096 4.706 1.00 1.00 H new ATOM 0 HA ALA A 26 -1.563 -5.059 2.557 1.00 1.00 H new ATOM 0 HB1 ALA A 26 0.326 -3.878 1.545 1.00 1.00 H new ATOM 0 HB2 ALA A 26 -0.958 -2.745 2.027 1.00 1.00 H new ATOM 0 HB3 ALA A 26 0.513 -2.896 3.017 1.00 1.00 H new ATOM 413 N SER A 27 0.694 -5.285 4.896 1.00 1.00 N ATOM 414 CA SER A 27 1.668 -6.175 5.504 1.00 1.00 C ATOM 415 C SER A 27 0.967 -7.141 6.462 1.00 1.00 C ATOM 416 O SER A 27 1.489 -7.447 7.533 1.00 1.00 O ATOM 417 CB SER A 27 2.750 -5.386 6.245 1.00 1.00 C ATOM 418 OG SER A 27 3.919 -6.168 6.473 1.00 1.00 O ATOM 0 H SER A 27 0.485 -4.447 5.439 1.00 1.00 H new ATOM 0 HA SER A 27 2.152 -6.745 4.711 1.00 1.00 H new ATOM 0 HB2 SER A 27 3.013 -4.501 5.666 1.00 1.00 H new ATOM 0 HB3 SER A 27 2.355 -5.037 7.199 1.00 1.00 H new ATOM 0 HG SER A 27 3.680 -6.975 6.975 1.00 1.00 H new ATOM 424 N LYS A 28 -0.205 -7.595 6.042 1.00 1.00 N ATOM 425 CA LYS A 28 -0.983 -8.520 6.848 1.00 1.00 C ATOM 426 C LYS A 28 -1.694 -9.516 5.931 1.00 1.00 C ATOM 427 O LYS A 28 -2.730 -10.071 6.296 1.00 1.00 O ATOM 428 CB LYS A 28 -1.928 -7.756 7.778 1.00 1.00 C ATOM 429 CG LYS A 28 -2.744 -6.722 7.000 1.00 1.00 C ATOM 430 CD LYS A 28 -3.889 -7.390 6.235 1.00 1.00 C ATOM 431 CE LYS A 28 -4.985 -7.864 7.193 1.00 1.00 C ATOM 432 NZ LYS A 28 -4.725 -9.253 7.631 1.00 1.00 N ATOM 0 H LYS A 28 -0.635 -7.339 5.153 1.00 1.00 H new ATOM 0 HA LYS A 28 -0.330 -9.099 7.501 1.00 1.00 H new ATOM 0 HB2 LYS A 28 -2.600 -8.456 8.275 1.00 1.00 H new ATOM 0 HB3 LYS A 28 -1.352 -7.258 8.558 1.00 1.00 H new ATOM 0 HG2 LYS A 28 -3.147 -5.979 7.688 1.00 1.00 H new ATOM 0 HG3 LYS A 28 -2.096 -6.192 6.302 1.00 1.00 H new ATOM 0 HD2 LYS A 28 -4.309 -6.687 5.515 1.00 1.00 H new ATOM 0 HD3 LYS A 28 -3.506 -8.238 5.667 1.00 1.00 H new ATOM 0 HE2 LYS A 28 -5.028 -7.205 8.060 1.00 1.00 H new ATOM 0 HE3 LYS A 28 -5.956 -7.807 6.701 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 -5.616 -9.790 7.631 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 -4.050 -9.702 6.979 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 -4.326 -9.245 8.591 1.00 1.00 H new ATOM 446 N PHE A 29 -1.110 -9.713 4.758 1.00 1.00 N ATOM 447 CA PHE A 29 -1.675 -10.633 3.786 1.00 1.00 C ATOM 448 C PHE A 29 -0.706 -11.778 3.487 1.00 1.00 C ATOM 449 O PHE A 29 0.458 -11.544 3.167 1.00 1.00 O ATOM 450 CB PHE A 29 -1.915 -9.835 2.502 1.00 1.00 C ATOM 451 CG PHE A 29 -2.900 -8.676 2.665 1.00 1.00 C ATOM 452 CD1 PHE A 29 -3.934 -8.780 3.543 1.00 1.00 C ATOM 453 CD2 PHE A 29 -2.743 -7.542 1.932 1.00 1.00 C ATOM 454 CE1 PHE A 29 -4.848 -7.704 3.694 1.00 1.00 C ATOM 455 CE2 PHE A 29 -3.657 -6.466 2.082 1.00 1.00 C ATOM 456 CZ PHE A 29 -4.690 -6.570 2.960 1.00 1.00 C ATOM 0 H PHE A 29 -0.251 -9.251 4.459 1.00 1.00 H new ATOM 0 HA PHE A 29 -2.597 -11.065 4.175 1.00 1.00 H new ATOM 0 HB2 PHE A 29 -0.962 -9.442 2.147 1.00 1.00 H new ATOM 0 HB3 PHE A 29 -2.288 -10.510 1.731 1.00 1.00 H new ATOM 0 HD1 PHE A 29 -4.060 -9.681 4.125 1.00 1.00 H new ATOM 0 HD2 PHE A 29 -1.922 -7.459 1.235 1.00 1.00 H new ATOM 0 HE1 PHE A 29 -5.668 -7.786 4.392 1.00 1.00 H new ATOM 0 HE2 PHE A 29 -3.532 -5.565 1.499 1.00 1.00 H new ATOM 0 HZ PHE A 29 -5.385 -5.752 3.075 1.00 1.00 H new ATOM 466 N ASN A 30 -1.223 -12.993 3.601 1.00 1.00 N ATOM 467 CA ASN A 30 -0.418 -14.176 3.347 1.00 1.00 C ATOM 468 C ASN A 30 0.217 -14.067 1.959 1.00 1.00 C ATOM 469 O ASN A 30 1.135 -14.818 1.632 1.00 1.00 O ATOM 470 CB ASN A 30 -1.275 -15.443 3.377 1.00 1.00 C ATOM 471 CG ASN A 30 -1.206 -16.119 4.747 1.00 1.00 C ATOM 472 OD1 ASN A 30 -0.430 -15.749 5.613 1.00 1.00 O ATOM 473 ND2 ASN A 30 -2.059 -17.129 4.896 1.00 1.00 N ATOM 0 H ASN A 30 -2.189 -13.184 3.866 1.00 1.00 H new ATOM 0 HA ASN A 30 0.344 -14.238 4.124 1.00 1.00 H new ATOM 0 HB2 ASN A 30 -2.310 -15.192 3.143 1.00 1.00 H new ATOM 0 HB3 ASN A 30 -0.933 -16.136 2.608 1.00 1.00 H new ATOM 0 HD21 ASN A 30 -2.090 -17.645 5.775 1.00 1.00 H new ATOM 0 HD22 ASN A 30 -2.682 -17.388 4.131 1.00 1.00 H new ATOM 480 N SER A 31 -0.297 -13.126 1.181 1.00 1.00 N ATOM 481 CA SER A 31 0.208 -12.909 -0.164 1.00 1.00 C ATOM 482 C SER A 31 1.071 -11.646 -0.202 1.00 1.00 C ATOM 483 O SER A 31 1.317 -11.027 0.832 1.00 1.00 O ATOM 484 CB SER A 31 -0.938 -12.799 -1.172 1.00 1.00 C ATOM 485 OG SER A 31 -1.850 -11.759 -0.831 1.00 1.00 O ATOM 0 H SER A 31 -1.058 -12.505 1.456 1.00 1.00 H new ATOM 0 HA SER A 31 0.819 -13.768 -0.442 1.00 1.00 H new ATOM 0 HB2 SER A 31 -0.530 -12.613 -2.166 1.00 1.00 H new ATOM 0 HB3 SER A 31 -1.472 -13.748 -1.219 1.00 1.00 H new ATOM 0 HG SER A 31 -1.765 -11.025 -1.475 1.00 1.00 H new ATOM 491 N ASP A 32 1.507 -11.301 -1.405 1.00 1.00 N ATOM 492 CA ASP A 32 2.337 -10.123 -1.591 1.00 1.00 C ATOM 493 C ASP A 32 1.441 -8.896 -1.766 1.00 1.00 C ATOM 494 O ASP A 32 0.296 -9.015 -2.201 1.00 1.00 O ATOM 495 CB ASP A 32 3.208 -10.255 -2.841 1.00 1.00 C ATOM 496 CG ASP A 32 4.706 -10.047 -2.610 1.00 1.00 C ATOM 497 OD1 ASP A 32 5.203 -10.578 -1.593 1.00 1.00 O ATOM 498 OD2 ASP A 32 5.321 -9.362 -3.456 1.00 1.00 O ATOM 0 H ASP A 32 1.301 -11.817 -2.260 1.00 1.00 H new ATOM 0 HA ASP A 32 2.977 -10.020 -0.715 1.00 1.00 H new ATOM 0 HB2 ASP A 32 3.056 -11.246 -3.269 1.00 1.00 H new ATOM 0 HB3 ASP A 32 2.866 -9.532 -3.582 1.00 1.00 H new ATOM 503 N ILE A 33 1.995 -7.743 -1.420 1.00 1.00 N ATOM 504 CA ILE A 33 1.260 -6.495 -1.534 1.00 1.00 C ATOM 505 C ILE A 33 2.156 -5.338 -1.088 1.00 1.00 C ATOM 506 O ILE A 33 2.565 -5.275 0.071 1.00 1.00 O ATOM 507 CB ILE A 33 -0.062 -6.579 -0.768 1.00 1.00 C ATOM 508 CG1 ILE A 33 -0.993 -5.428 -1.153 1.00 1.00 C ATOM 509 CG2 ILE A 33 0.182 -6.639 0.741 1.00 1.00 C ATOM 510 CD1 ILE A 33 -0.752 -4.207 -0.263 1.00 1.00 C ATOM 0 H ILE A 33 2.945 -7.647 -1.060 1.00 1.00 H new ATOM 0 HA ILE A 33 0.988 -6.307 -2.573 1.00 1.00 H new ATOM 0 HB ILE A 33 -0.562 -7.505 -1.050 1.00 1.00 H new ATOM 0 HG12 ILE A 33 -0.832 -5.159 -2.197 1.00 1.00 H new ATOM 0 HG13 ILE A 33 -2.031 -5.749 -1.063 1.00 1.00 H new ATOM 0 HG21 ILE A 33 -0.774 -6.698 1.262 1.00 1.00 H new ATOM 0 HG22 ILE A 33 0.780 -7.519 0.978 1.00 1.00 H new ATOM 0 HG23 ILE A 33 0.714 -5.743 1.059 1.00 1.00 H new ATOM 0 HD11 ILE A 33 -1.427 -3.403 -0.558 1.00 1.00 H new ATOM 0 HD12 ILE A 33 -0.937 -4.473 0.778 1.00 1.00 H new ATOM 0 HD13 ILE A 33 0.280 -3.874 -0.374 1.00 1.00 H new ATOM 522 N ASN A 34 2.436 -4.450 -2.031 1.00 1.00 N ATOM 523 CA ASN A 34 3.276 -3.299 -1.750 1.00 1.00 C ATOM 524 C ASN A 34 2.635 -2.046 -2.350 1.00 1.00 C ATOM 525 O ASN A 34 1.581 -2.125 -2.980 1.00 1.00 O ATOM 526 CB ASN A 34 4.663 -3.464 -2.374 1.00 1.00 C ATOM 527 CG ASN A 34 5.347 -4.734 -1.862 1.00 1.00 C ATOM 528 OD1 ASN A 34 4.876 -5.401 -0.956 1.00 1.00 O ATOM 529 ND2 ASN A 34 6.480 -5.029 -2.492 1.00 1.00 N ATOM 0 H ASN A 34 2.095 -4.505 -2.991 1.00 1.00 H new ATOM 0 HA ASN A 34 3.375 -3.210 -0.668 1.00 1.00 H new ATOM 0 HB2 ASN A 34 4.575 -3.507 -3.460 1.00 1.00 H new ATOM 0 HB3 ASN A 34 5.278 -2.595 -2.138 1.00 1.00 H new ATOM 0 HD21 ASN A 34 7.011 -5.858 -2.225 1.00 1.00 H new ATOM 0 HD22 ASN A 34 6.818 -4.427 -3.243 1.00 1.00 H new ATOM 536 N LEU A 35 3.297 -0.919 -2.132 1.00 1.00 N ATOM 537 CA LEU A 35 2.804 0.349 -2.644 1.00 1.00 C ATOM 538 C LEU A 35 3.833 0.938 -3.611 1.00 1.00 C ATOM 539 O LEU A 35 5.037 0.814 -3.393 1.00 1.00 O ATOM 540 CB LEU A 35 2.437 1.285 -1.490 1.00 1.00 C ATOM 541 CG LEU A 35 3.406 2.440 -1.230 1.00 1.00 C ATOM 542 CD1 LEU A 35 3.507 3.357 -2.451 1.00 1.00 C ATOM 543 CD2 LEU A 35 3.015 3.209 0.034 1.00 1.00 C ATOM 0 H LEU A 35 4.170 -0.857 -1.608 1.00 1.00 H new ATOM 0 HA LEU A 35 1.884 0.201 -3.209 1.00 1.00 H new ATOM 0 HB2 LEU A 35 1.450 1.703 -1.687 1.00 1.00 H new ATOM 0 HB3 LEU A 35 2.357 0.692 -0.579 1.00 1.00 H new ATOM 0 HG LEU A 35 4.398 2.022 -1.059 1.00 1.00 H new ATOM 0 HD11 LEU A 35 4.202 4.169 -2.239 1.00 1.00 H new ATOM 0 HD12 LEU A 35 3.867 2.785 -3.307 1.00 1.00 H new ATOM 0 HD13 LEU A 35 2.524 3.770 -2.678 1.00 1.00 H new ATOM 0 HD21 LEU A 35 3.720 4.025 0.196 1.00 1.00 H new ATOM 0 HD22 LEU A 35 2.010 3.615 -0.083 1.00 1.00 H new ATOM 0 HD23 LEU A 35 3.036 2.536 0.891 1.00 1.00 H new ATOM 555 N GLU A 36 3.320 1.567 -4.658 1.00 1.00 N ATOM 556 CA GLU A 36 4.180 2.175 -5.660 1.00 1.00 C ATOM 557 C GLU A 36 3.768 3.629 -5.899 1.00 1.00 C ATOM 558 O GLU A 36 2.696 3.894 -6.442 1.00 1.00 O ATOM 559 CB GLU A 36 4.153 1.376 -6.964 1.00 1.00 C ATOM 560 CG GLU A 36 5.157 1.939 -7.972 1.00 1.00 C ATOM 561 CD GLU A 36 5.179 1.099 -9.251 1.00 1.00 C ATOM 562 OE1 GLU A 36 4.089 0.627 -9.639 1.00 1.00 O ATOM 563 OE2 GLU A 36 6.286 0.948 -9.812 1.00 1.00 O ATOM 0 H GLU A 36 2.321 1.669 -4.835 1.00 1.00 H new ATOM 0 HA GLU A 36 5.204 2.164 -5.288 1.00 1.00 H new ATOM 0 HB2 GLU A 36 4.385 0.331 -6.759 1.00 1.00 H new ATOM 0 HB3 GLU A 36 3.150 1.402 -7.390 1.00 1.00 H new ATOM 0 HG2 GLU A 36 4.896 2.969 -8.214 1.00 1.00 H new ATOM 0 HG3 GLU A 36 6.152 1.958 -7.528 1.00 1.00 H new ATOM 570 N TYR A 37 4.641 4.535 -5.482 1.00 1.00 N ATOM 571 CA TYR A 37 4.381 5.955 -5.644 1.00 1.00 C ATOM 572 C TYR A 37 5.419 6.600 -6.565 1.00 1.00 C ATOM 573 O TYR A 37 6.615 6.563 -6.281 1.00 1.00 O ATOM 574 CB TYR A 37 4.505 6.569 -4.248 1.00 1.00 C ATOM 575 CG TYR A 37 4.478 8.098 -4.236 1.00 1.00 C ATOM 576 CD1 TYR A 37 3.873 8.786 -5.269 1.00 1.00 C ATOM 577 CD2 TYR A 37 5.058 8.790 -3.192 1.00 1.00 C ATOM 578 CE1 TYR A 37 3.848 10.226 -5.257 1.00 1.00 C ATOM 579 CE2 TYR A 37 5.032 10.230 -3.181 1.00 1.00 C ATOM 580 CZ TYR A 37 4.428 10.877 -4.214 1.00 1.00 C ATOM 581 OH TYR A 37 4.404 12.236 -4.203 1.00 1.00 O ATOM 0 H TYR A 37 5.529 4.313 -5.032 1.00 1.00 H new ATOM 0 HA TYR A 37 3.398 6.117 -6.086 1.00 1.00 H new ATOM 0 HB2 TYR A 37 3.692 6.197 -3.625 1.00 1.00 H new ATOM 0 HB3 TYR A 37 5.436 6.229 -3.794 1.00 1.00 H new ATOM 0 HD1 TYR A 37 3.419 8.245 -6.086 1.00 1.00 H new ATOM 0 HD2 TYR A 37 5.531 8.252 -2.384 1.00 1.00 H new ATOM 0 HE1 TYR A 37 3.379 10.777 -6.059 1.00 1.00 H new ATOM 0 HE2 TYR A 37 5.482 10.784 -2.370 1.00 1.00 H new ATOM 0 HH TYR A 37 4.855 12.565 -3.397 1.00 1.00 H new ATOM 591 N LYS A 38 4.923 7.176 -7.651 1.00 1.00 N ATOM 592 CA LYS A 38 5.792 7.828 -8.615 1.00 1.00 C ATOM 593 C LYS A 38 6.602 6.768 -9.364 1.00 1.00 C ATOM 594 O LYS A 38 7.428 7.098 -10.214 1.00 1.00 O ATOM 595 CB LYS A 38 6.655 8.889 -7.928 1.00 1.00 C ATOM 596 CG LYS A 38 5.792 9.848 -7.106 1.00 1.00 C ATOM 597 CD LYS A 38 6.133 11.305 -7.427 1.00 1.00 C ATOM 598 CE LYS A 38 7.365 11.765 -6.644 1.00 1.00 C ATOM 599 NZ LYS A 38 7.142 13.112 -6.072 1.00 1.00 N ATOM 0 H LYS A 38 3.930 7.204 -7.884 1.00 1.00 H new ATOM 0 HA LYS A 38 5.201 8.363 -9.358 1.00 1.00 H new ATOM 0 HB2 LYS A 38 7.386 8.405 -7.280 1.00 1.00 H new ATOM 0 HB3 LYS A 38 7.215 9.449 -8.677 1.00 1.00 H new ATOM 0 HG2 LYS A 38 4.738 9.663 -7.314 1.00 1.00 H new ATOM 0 HG3 LYS A 38 5.945 9.661 -6.043 1.00 1.00 H new ATOM 0 HD2 LYS A 38 6.316 11.412 -8.496 1.00 1.00 H new ATOM 0 HD3 LYS A 38 5.284 11.943 -7.183 1.00 1.00 H new ATOM 0 HE2 LYS A 38 7.582 11.056 -5.845 1.00 1.00 H new ATOM 0 HE3 LYS A 38 8.235 11.782 -7.300 1.00 1.00 H new ATOM 0 HZ1 LYS A 38 7.987 13.409 -5.544 1.00 1.00 H new ATOM 0 HZ2 LYS A 38 6.958 13.789 -6.840 1.00 1.00 H new ATOM 0 HZ3 LYS A 38 6.324 13.085 -5.430 1.00 1.00 H new ATOM 613 N GLY A 39 6.337 5.516 -9.023 1.00 1.00 N ATOM 614 CA GLY A 39 7.030 4.405 -9.652 1.00 1.00 C ATOM 615 C GLY A 39 7.763 3.556 -8.611 1.00 1.00 C ATOM 616 O GLY A 39 8.173 2.432 -8.899 1.00 1.00 O ATOM 0 H GLY A 39 5.651 5.246 -8.318 1.00 1.00 H new ATOM 0 HA2 GLY A 39 6.315 3.786 -10.194 1.00 1.00 H new ATOM 0 HA3 GLY A 39 7.743 4.784 -10.385 1.00 1.00 H new ATOM 620 N LYS A 40 7.904 4.124 -7.423 1.00 1.00 N ATOM 621 CA LYS A 40 8.580 3.433 -6.338 1.00 1.00 C ATOM 622 C LYS A 40 7.618 2.427 -5.703 1.00 1.00 C ATOM 623 O LYS A 40 6.737 2.806 -4.932 1.00 1.00 O ATOM 624 CB LYS A 40 9.163 4.439 -5.343 1.00 1.00 C ATOM 625 CG LYS A 40 10.622 4.109 -5.022 1.00 1.00 C ATOM 626 CD LYS A 40 10.719 3.160 -3.826 1.00 1.00 C ATOM 627 CE LYS A 40 10.284 3.858 -2.536 1.00 1.00 C ATOM 628 NZ LYS A 40 11.172 5.004 -2.242 1.00 1.00 N ATOM 0 H LYS A 40 7.562 5.055 -7.187 1.00 1.00 H new ATOM 0 HA LYS A 40 9.430 2.866 -6.718 1.00 1.00 H new ATOM 0 HB2 LYS A 40 9.096 5.445 -5.756 1.00 1.00 H new ATOM 0 HB3 LYS A 40 8.574 4.432 -4.426 1.00 1.00 H new ATOM 0 HG2 LYS A 40 11.095 3.653 -5.892 1.00 1.00 H new ATOM 0 HG3 LYS A 40 11.168 5.028 -4.807 1.00 1.00 H new ATOM 0 HD2 LYS A 40 10.092 2.285 -4.000 1.00 1.00 H new ATOM 0 HD3 LYS A 40 11.744 2.803 -3.723 1.00 1.00 H new ATOM 0 HE2 LYS A 40 9.255 4.203 -2.632 1.00 1.00 H new ATOM 0 HE3 LYS A 40 10.307 3.150 -1.707 1.00 1.00 H new ATOM 0 HZ1 LYS A 40 11.253 5.125 -1.212 1.00 1.00 H new ATOM 0 HZ2 LYS A 40 12.114 4.826 -2.645 1.00 1.00 H new ATOM 0 HZ3 LYS A 40 10.774 5.868 -2.662 1.00 1.00 H new ATOM 642 N SER A 41 7.819 1.164 -6.050 1.00 1.00 N ATOM 643 CA SER A 41 6.980 0.101 -5.524 1.00 1.00 C ATOM 644 C SER A 41 7.769 -0.737 -4.516 1.00 1.00 C ATOM 645 O SER A 41 8.691 -1.459 -4.890 1.00 1.00 O ATOM 646 CB SER A 41 6.446 -0.787 -6.649 1.00 1.00 C ATOM 647 OG SER A 41 5.308 -1.541 -6.240 1.00 1.00 O ATOM 0 H SER A 41 8.551 0.853 -6.689 1.00 1.00 H new ATOM 0 HA SER A 41 6.127 0.556 -5.021 1.00 1.00 H new ATOM 0 HB2 SER A 41 6.181 -0.167 -7.505 1.00 1.00 H new ATOM 0 HB3 SER A 41 7.232 -1.467 -6.978 1.00 1.00 H new ATOM 0 HG SER A 41 4.996 -2.094 -6.987 1.00 1.00 H new ATOM 653 N VAL A 42 7.378 -0.612 -3.256 1.00 1.00 N ATOM 654 CA VAL A 42 8.037 -1.349 -2.191 1.00 1.00 C ATOM 655 C VAL A 42 7.017 -1.683 -1.101 1.00 1.00 C ATOM 656 O VAL A 42 6.011 -0.991 -0.954 1.00 1.00 O ATOM 657 CB VAL A 42 9.233 -0.552 -1.666 1.00 1.00 C ATOM 658 CG1 VAL A 42 9.760 0.411 -2.731 1.00 1.00 C ATOM 659 CG2 VAL A 42 8.872 0.196 -0.381 1.00 1.00 C ATOM 0 H VAL A 42 6.613 -0.011 -2.949 1.00 1.00 H new ATOM 0 HA VAL A 42 8.432 -2.293 -2.567 1.00 1.00 H new ATOM 0 HB VAL A 42 10.029 -1.259 -1.430 1.00 1.00 H new ATOM 0 HG11 VAL A 42 10.610 0.965 -2.332 1.00 1.00 H new ATOM 0 HG12 VAL A 42 10.075 -0.154 -3.609 1.00 1.00 H new ATOM 0 HG13 VAL A 42 8.972 1.109 -3.012 1.00 1.00 H new ATOM 0 HG21 VAL A 42 9.739 0.754 -0.029 1.00 1.00 H new ATOM 0 HG22 VAL A 42 8.052 0.886 -0.580 1.00 1.00 H new ATOM 0 HG23 VAL A 42 8.567 -0.519 0.383 1.00 1.00 H new ATOM 669 N ASN A 43 7.312 -2.745 -0.365 1.00 1.00 N ATOM 670 CA ASN A 43 6.432 -3.180 0.707 1.00 1.00 C ATOM 671 C ASN A 43 6.019 -1.968 1.545 1.00 1.00 C ATOM 672 O ASN A 43 6.653 -1.660 2.552 1.00 1.00 O ATOM 673 CB ASN A 43 7.140 -4.174 1.630 1.00 1.00 C ATOM 674 CG ASN A 43 8.161 -5.010 0.857 1.00 1.00 C ATOM 675 OD1 ASN A 43 9.261 -4.574 0.559 1.00 1.00 O ATOM 676 ND2 ASN A 43 7.738 -6.232 0.548 1.00 1.00 N ATOM 0 H ASN A 43 8.147 -3.317 -0.490 1.00 1.00 H new ATOM 0 HA ASN A 43 5.563 -3.661 0.257 1.00 1.00 H new ATOM 0 HB2 ASN A 43 7.641 -3.635 2.435 1.00 1.00 H new ATOM 0 HB3 ASN A 43 6.405 -4.831 2.095 1.00 1.00 H new ATOM 0 HD21 ASN A 43 8.347 -6.867 0.031 1.00 1.00 H new ATOM 0 HD22 ASN A 43 6.805 -6.535 0.828 1.00 1.00 H new ATOM 683 N LEU A 44 4.957 -1.314 1.097 1.00 1.00 N ATOM 684 CA LEU A 44 4.451 -0.143 1.793 1.00 1.00 C ATOM 685 C LEU A 44 4.999 -0.128 3.221 1.00 1.00 C ATOM 686 O LEU A 44 5.343 0.930 3.747 1.00 1.00 O ATOM 687 CB LEU A 44 2.924 -0.095 1.719 1.00 1.00 C ATOM 688 CG LEU A 44 2.259 -1.174 0.863 1.00 1.00 C ATOM 689 CD1 LEU A 44 2.507 -2.567 1.447 1.00 1.00 C ATOM 690 CD2 LEU A 44 0.767 -0.887 0.680 1.00 1.00 C ATOM 0 H LEU A 44 4.433 -1.573 0.261 1.00 1.00 H new ATOM 0 HA LEU A 44 4.799 0.769 1.308 1.00 1.00 H new ATOM 0 HB2 LEU A 44 2.529 -0.168 2.732 1.00 1.00 H new ATOM 0 HB3 LEU A 44 2.629 0.880 1.332 1.00 1.00 H new ATOM 0 HG LEU A 44 2.715 -1.153 -0.127 1.00 1.00 H new ATOM 0 HD11 LEU A 44 2.024 -3.316 0.820 1.00 1.00 H new ATOM 0 HD12 LEU A 44 3.579 -2.761 1.483 1.00 1.00 H new ATOM 0 HD13 LEU A 44 2.095 -2.618 2.455 1.00 1.00 H new ATOM 0 HD21 LEU A 44 0.318 -1.669 0.068 1.00 1.00 H new ATOM 0 HD22 LEU A 44 0.279 -0.864 1.654 1.00 1.00 H new ATOM 0 HD23 LEU A 44 0.640 0.077 0.188 1.00 1.00 H new ATOM 702 N LYS A 45 5.063 -1.313 3.809 1.00 1.00 N ATOM 703 CA LYS A 45 5.563 -1.450 5.167 1.00 1.00 C ATOM 704 C LYS A 45 7.084 -1.287 5.164 1.00 1.00 C ATOM 705 O LYS A 45 7.739 -1.522 6.178 1.00 1.00 O ATOM 706 CB LYS A 45 5.087 -2.766 5.784 1.00 1.00 C ATOM 707 CG LYS A 45 5.238 -2.745 7.306 1.00 1.00 C ATOM 708 CD LYS A 45 6.345 -3.698 7.760 1.00 1.00 C ATOM 709 CE LYS A 45 6.697 -3.468 9.231 1.00 1.00 C ATOM 710 NZ LYS A 45 8.099 -3.861 9.496 1.00 1.00 N ATOM 0 H LYS A 45 4.777 -2.188 3.370 1.00 1.00 H new ATOM 0 HA LYS A 45 5.158 -0.663 5.803 1.00 1.00 H new ATOM 0 HB2 LYS A 45 4.043 -2.938 5.521 1.00 1.00 H new ATOM 0 HB3 LYS A 45 5.661 -3.595 5.370 1.00 1.00 H new ATOM 0 HG2 LYS A 45 5.466 -1.732 7.638 1.00 1.00 H new ATOM 0 HG3 LYS A 45 4.295 -3.029 7.773 1.00 1.00 H new ATOM 0 HD2 LYS A 45 6.023 -4.730 7.616 1.00 1.00 H new ATOM 0 HD3 LYS A 45 7.232 -3.552 7.143 1.00 1.00 H new ATOM 0 HE2 LYS A 45 6.553 -2.418 9.486 1.00 1.00 H new ATOM 0 HE3 LYS A 45 6.025 -4.045 9.866 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 8.321 -3.699 10.499 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 8.225 -4.869 9.272 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 8.737 -3.292 8.903 1.00 1.00 H new ATOM 724 N SER A 46 7.602 -0.885 4.012 1.00 1.00 N ATOM 725 CA SER A 46 9.034 -0.688 3.864 1.00 1.00 C ATOM 726 C SER A 46 9.405 0.750 4.230 1.00 1.00 C ATOM 727 O SER A 46 9.575 1.594 3.351 1.00 1.00 O ATOM 728 CB SER A 46 9.489 -1.007 2.439 1.00 1.00 C ATOM 729 OG SER A 46 10.756 -1.660 2.417 1.00 1.00 O ATOM 0 H SER A 46 7.056 -0.691 3.173 1.00 1.00 H new ATOM 0 HA SER A 46 9.545 -1.372 4.542 1.00 1.00 H new ATOM 0 HB2 SER A 46 8.746 -1.641 1.954 1.00 1.00 H new ATOM 0 HB3 SER A 46 9.547 -0.084 1.862 1.00 1.00 H new ATOM 0 HG SER A 46 11.011 -1.848 1.490 1.00 1.00 H new ATOM 735 N ILE A 47 9.519 0.986 5.529 1.00 1.00 N ATOM 736 CA ILE A 47 9.866 2.308 6.022 1.00 1.00 C ATOM 737 C ILE A 47 10.938 2.920 5.117 1.00 1.00 C ATOM 738 O ILE A 47 10.710 3.954 4.491 1.00 1.00 O ATOM 739 CB ILE A 47 10.272 2.241 7.496 1.00 1.00 C ATOM 740 CG1 ILE A 47 9.388 3.152 8.350 1.00 1.00 C ATOM 741 CG2 ILE A 47 11.759 2.556 7.671 1.00 1.00 C ATOM 742 CD1 ILE A 47 7.906 2.899 8.068 1.00 1.00 C ATOM 0 H ILE A 47 9.377 0.284 6.255 1.00 1.00 H new ATOM 0 HA ILE A 47 9.000 2.968 5.983 1.00 1.00 H new ATOM 0 HB ILE A 47 10.117 1.221 7.847 1.00 1.00 H new ATOM 0 HG12 ILE A 47 9.595 2.980 9.406 1.00 1.00 H new ATOM 0 HG13 ILE A 47 9.628 4.195 8.144 1.00 1.00 H new ATOM 0 HG21 ILE A 47 12.021 2.501 8.728 1.00 1.00 H new ATOM 0 HG22 ILE A 47 12.352 1.832 7.112 1.00 1.00 H new ATOM 0 HG23 ILE A 47 11.965 3.559 7.298 1.00 1.00 H new ATOM 0 HD11 ILE A 47 7.300 3.559 8.688 1.00 1.00 H new ATOM 0 HD12 ILE A 47 7.697 3.095 7.016 1.00 1.00 H new ATOM 0 HD13 ILE A 47 7.664 1.862 8.298 1.00 1.00 H new ATOM 754 N MET A 48 12.083 2.255 5.077 1.00 1.00 N ATOM 755 CA MET A 48 13.191 2.720 4.259 1.00 1.00 C ATOM 756 C MET A 48 12.693 3.250 2.913 1.00 1.00 C ATOM 757 O MET A 48 12.705 4.457 2.674 1.00 1.00 O ATOM 758 CB MET A 48 14.171 1.570 4.025 1.00 1.00 C ATOM 759 CG MET A 48 13.463 0.217 4.122 1.00 1.00 C ATOM 760 SD MET A 48 14.218 -0.950 3.003 1.00 1.00 S ATOM 761 CE MET A 48 13.769 -0.215 1.439 1.00 1.00 C ATOM 0 H MET A 48 12.268 1.398 5.598 1.00 1.00 H new ATOM 0 HA MET A 48 13.691 3.533 4.786 1.00 1.00 H new ATOM 0 HB2 MET A 48 14.631 1.674 3.042 1.00 1.00 H new ATOM 0 HB3 MET A 48 14.975 1.617 4.760 1.00 1.00 H new ATOM 0 HG2 MET A 48 13.518 -0.159 5.144 1.00 1.00 H new ATOM 0 HG3 MET A 48 12.406 0.332 3.881 1.00 1.00 H new ATOM 0 HE1 MET A 48 14.103 -0.859 0.625 1.00 1.00 H new ATOM 0 HE2 MET A 48 12.686 -0.099 1.389 1.00 1.00 H new ATOM 0 HE3 MET A 48 14.243 0.762 1.347 1.00 1.00 H new ATOM 771 N GLY A 49 12.267 2.322 2.069 1.00 1.00 N ATOM 772 CA GLY A 49 11.767 2.680 0.753 1.00 1.00 C ATOM 773 C GLY A 49 10.649 3.720 0.856 1.00 1.00 C ATOM 774 O GLY A 49 10.692 4.751 0.185 1.00 1.00 O ATOM 0 H GLY A 49 12.258 1.322 2.271 1.00 1.00 H new ATOM 0 HA2 GLY A 49 12.581 3.075 0.146 1.00 1.00 H new ATOM 0 HA3 GLY A 49 11.395 1.789 0.247 1.00 1.00 H new ATOM 778 N VAL A 50 9.676 3.415 1.701 1.00 1.00 N ATOM 779 CA VAL A 50 8.549 4.311 1.900 1.00 1.00 C ATOM 780 C VAL A 50 9.056 5.644 2.455 1.00 1.00 C ATOM 781 O VAL A 50 8.732 6.705 1.923 1.00 1.00 O ATOM 782 CB VAL A 50 7.505 3.647 2.800 1.00 1.00 C ATOM 783 CG1 VAL A 50 6.701 4.694 3.572 1.00 1.00 C ATOM 784 CG2 VAL A 50 6.582 2.735 1.988 1.00 1.00 C ATOM 0 H VAL A 50 9.644 2.560 2.256 1.00 1.00 H new ATOM 0 HA VAL A 50 8.055 4.520 0.951 1.00 1.00 H new ATOM 0 HB VAL A 50 8.033 3.029 3.526 1.00 1.00 H new ATOM 0 HG11 VAL A 50 5.966 4.195 4.204 1.00 1.00 H new ATOM 0 HG12 VAL A 50 7.374 5.284 4.194 1.00 1.00 H new ATOM 0 HG13 VAL A 50 6.189 5.351 2.869 1.00 1.00 H new ATOM 0 HG21 VAL A 50 5.849 2.275 2.651 1.00 1.00 H new ATOM 0 HG22 VAL A 50 6.066 3.323 1.229 1.00 1.00 H new ATOM 0 HG23 VAL A 50 7.173 1.957 1.505 1.00 1.00 H new ATOM 794 N MET A 51 9.841 5.546 3.517 1.00 1.00 N ATOM 795 CA MET A 51 10.395 6.731 4.150 1.00 1.00 C ATOM 796 C MET A 51 10.751 7.793 3.108 1.00 1.00 C ATOM 797 O MET A 51 10.183 8.884 3.110 1.00 1.00 O ATOM 798 CB MET A 51 11.649 6.350 4.939 1.00 1.00 C ATOM 799 CG MET A 51 11.288 5.901 6.357 1.00 1.00 C ATOM 800 SD MET A 51 10.474 7.228 7.229 1.00 1.00 S ATOM 801 CE MET A 51 11.153 8.632 6.361 1.00 1.00 C ATOM 0 H MET A 51 10.107 4.664 3.956 1.00 1.00 H new ATOM 0 HA MET A 51 9.644 7.145 4.822 1.00 1.00 H new ATOM 0 HB2 MET A 51 12.178 5.549 4.423 1.00 1.00 H new ATOM 0 HB3 MET A 51 12.327 7.202 4.985 1.00 1.00 H new ATOM 0 HG2 MET A 51 10.636 5.028 6.316 1.00 1.00 H new ATOM 0 HG3 MET A 51 12.189 5.601 6.893 1.00 1.00 H new ATOM 0 HE1 MET A 51 11.030 9.529 6.968 1.00 1.00 H new ATOM 0 HE2 MET A 51 12.213 8.465 6.172 1.00 1.00 H new ATOM 0 HE3 MET A 51 10.631 8.761 5.413 1.00 1.00 H new ATOM 811 N SER A 52 11.689 7.437 2.243 1.00 1.00 N ATOM 812 CA SER A 52 12.128 8.346 1.198 1.00 1.00 C ATOM 813 C SER A 52 10.995 8.577 0.197 1.00 1.00 C ATOM 814 O SER A 52 10.987 9.579 -0.518 1.00 1.00 O ATOM 815 CB SER A 52 13.367 7.805 0.482 1.00 1.00 C ATOM 816 OG SER A 52 13.062 6.679 -0.336 1.00 1.00 O ATOM 0 H SER A 52 12.157 6.531 2.244 1.00 1.00 H new ATOM 0 HA SER A 52 12.395 9.296 1.661 1.00 1.00 H new ATOM 0 HB2 SER A 52 13.803 8.592 -0.133 1.00 1.00 H new ATOM 0 HB3 SER A 52 14.118 7.524 1.220 1.00 1.00 H new ATOM 0 HG SER A 52 12.335 6.164 0.073 1.00 1.00 H new ATOM 822 N LEU A 53 10.064 7.634 0.176 1.00 1.00 N ATOM 823 CA LEU A 53 8.929 7.723 -0.726 1.00 1.00 C ATOM 824 C LEU A 53 7.764 8.407 -0.008 1.00 1.00 C ATOM 825 O LEU A 53 7.706 9.634 0.060 1.00 1.00 O ATOM 826 CB LEU A 53 8.580 6.342 -1.286 1.00 1.00 C ATOM 827 CG LEU A 53 8.167 6.300 -2.759 1.00 1.00 C ATOM 828 CD1 LEU A 53 7.118 5.214 -3.004 1.00 1.00 C ATOM 829 CD2 LEU A 53 7.692 7.675 -3.234 1.00 1.00 C ATOM 0 H LEU A 53 10.073 6.805 0.770 1.00 1.00 H new ATOM 0 HA LEU A 53 9.177 8.339 -1.590 1.00 1.00 H new ATOM 0 HB2 LEU A 53 9.443 5.689 -1.152 1.00 1.00 H new ATOM 0 HB3 LEU A 53 7.769 5.924 -0.690 1.00 1.00 H new ATOM 0 HG LEU A 53 9.043 6.039 -3.353 1.00 1.00 H new ATOM 0 HD11 LEU A 53 6.842 5.206 -4.058 1.00 1.00 H new ATOM 0 HD12 LEU A 53 7.529 4.243 -2.729 1.00 1.00 H new ATOM 0 HD13 LEU A 53 6.234 5.419 -2.399 1.00 1.00 H new ATOM 0 HD21 LEU A 53 7.404 7.618 -4.284 1.00 1.00 H new ATOM 0 HD22 LEU A 53 6.834 7.989 -2.639 1.00 1.00 H new ATOM 0 HD23 LEU A 53 8.499 8.399 -3.118 1.00 1.00 H new ATOM 841 N GLY A 54 6.865 7.584 0.510 1.00 1.00 N ATOM 842 CA GLY A 54 5.705 8.094 1.221 1.00 1.00 C ATOM 843 C GLY A 54 4.891 9.040 0.336 1.00 1.00 C ATOM 844 O GLY A 54 5.408 9.578 -0.642 1.00 1.00 O ATOM 0 H GLY A 54 6.916 6.567 0.452 1.00 1.00 H new ATOM 0 HA2 GLY A 54 5.078 7.263 1.544 1.00 1.00 H new ATOM 0 HA3 GLY A 54 6.027 8.619 2.120 1.00 1.00 H new ATOM 848 N VAL A 55 3.632 9.214 0.711 1.00 1.00 N ATOM 849 CA VAL A 55 2.743 10.086 -0.037 1.00 1.00 C ATOM 850 C VAL A 55 1.943 10.951 0.940 1.00 1.00 C ATOM 851 O VAL A 55 2.238 10.979 2.134 1.00 1.00 O ATOM 852 CB VAL A 55 1.855 9.256 -0.965 1.00 1.00 C ATOM 853 CG1 VAL A 55 2.270 9.435 -2.427 1.00 1.00 C ATOM 854 CG2 VAL A 55 1.875 7.779 -0.567 1.00 1.00 C ATOM 0 H VAL A 55 3.207 8.766 1.523 1.00 1.00 H new ATOM 0 HA VAL A 55 3.316 10.760 -0.674 1.00 1.00 H new ATOM 0 HB VAL A 55 0.832 9.618 -0.860 1.00 1.00 H new ATOM 0 HG11 VAL A 55 1.622 8.834 -3.065 1.00 1.00 H new ATOM 0 HG12 VAL A 55 2.180 10.485 -2.705 1.00 1.00 H new ATOM 0 HG13 VAL A 55 3.304 9.114 -2.554 1.00 1.00 H new ATOM 0 HG21 VAL A 55 1.235 7.211 -1.243 1.00 1.00 H new ATOM 0 HG22 VAL A 55 2.895 7.399 -0.628 1.00 1.00 H new ATOM 0 HG23 VAL A 55 1.509 7.672 0.454 1.00 1.00 H new ATOM 864 N GLY A 56 0.947 11.635 0.396 1.00 1.00 N ATOM 865 CA GLY A 56 0.103 12.498 1.204 1.00 1.00 C ATOM 866 C GLY A 56 -0.691 13.467 0.326 1.00 1.00 C ATOM 867 O GLY A 56 -1.705 13.091 -0.259 1.00 1.00 O ATOM 0 H GLY A 56 0.706 11.609 -0.595 1.00 1.00 H new ATOM 0 HA2 GLY A 56 -0.583 11.891 1.795 1.00 1.00 H new ATOM 0 HA3 GLY A 56 0.718 13.060 1.907 1.00 1.00 H new ATOM 871 N GLN A 57 -0.200 14.696 0.263 1.00 1.00 N ATOM 872 CA GLN A 57 -0.851 15.722 -0.534 1.00 1.00 C ATOM 873 C GLN A 57 -1.420 15.115 -1.818 1.00 1.00 C ATOM 874 O GLN A 57 -0.737 15.060 -2.839 1.00 1.00 O ATOM 875 CB GLN A 57 0.115 16.866 -0.850 1.00 1.00 C ATOM 876 CG GLN A 57 1.046 16.494 -2.005 1.00 1.00 C ATOM 877 CD GLN A 57 2.381 17.233 -1.893 1.00 1.00 C ATOM 878 OE1 GLN A 57 2.622 17.996 -0.972 1.00 1.00 O ATOM 879 NE2 GLN A 57 3.232 16.965 -2.879 1.00 1.00 N ATOM 0 H GLN A 57 0.641 15.004 0.751 1.00 1.00 H new ATOM 0 HA GLN A 57 -1.676 16.136 0.046 1.00 1.00 H new ATOM 0 HB2 GLN A 57 -0.449 17.762 -1.107 1.00 1.00 H new ATOM 0 HB3 GLN A 57 0.705 17.104 0.035 1.00 1.00 H new ATOM 0 HG2 GLN A 57 1.221 15.418 -2.004 1.00 1.00 H new ATOM 0 HG3 GLN A 57 0.569 16.739 -2.954 1.00 1.00 H new ATOM 0 HE21 GLN A 57 2.966 16.316 -3.620 1.00 1.00 H new ATOM 0 HE22 GLN A 57 4.150 17.409 -2.895 1.00 1.00 H new ATOM 888 N GLY A 58 -2.667 14.674 -1.724 1.00 1.00 N ATOM 889 CA GLY A 58 -3.336 14.074 -2.865 1.00 1.00 C ATOM 890 C GLY A 58 -2.357 13.247 -3.702 1.00 1.00 C ATOM 891 O GLY A 58 -2.639 12.925 -4.855 1.00 1.00 O ATOM 0 H GLY A 58 -3.231 14.721 -0.875 1.00 1.00 H new ATOM 0 HA2 GLY A 58 -4.152 13.439 -2.520 1.00 1.00 H new ATOM 0 HA3 GLY A 58 -3.779 14.855 -3.483 1.00 1.00 H new ATOM 895 N SER A 59 -1.228 12.927 -3.088 1.00 1.00 N ATOM 896 CA SER A 59 -0.206 12.144 -3.762 1.00 1.00 C ATOM 897 C SER A 59 -0.798 10.820 -4.250 1.00 1.00 C ATOM 898 O SER A 59 -1.490 10.132 -3.501 1.00 1.00 O ATOM 899 CB SER A 59 0.987 11.884 -2.839 1.00 1.00 C ATOM 900 OG SER A 59 1.401 13.064 -2.157 1.00 1.00 O ATOM 0 H SER A 59 -0.998 13.195 -2.131 1.00 1.00 H new ATOM 0 HA SER A 59 0.151 12.714 -4.620 1.00 1.00 H new ATOM 0 HB2 SER A 59 0.721 11.118 -2.110 1.00 1.00 H new ATOM 0 HB3 SER A 59 1.819 11.492 -3.424 1.00 1.00 H new ATOM 0 HG SER A 59 2.163 12.856 -1.577 1.00 1.00 H new ATOM 906 N ASP A 60 -0.504 10.502 -5.502 1.00 1.00 N ATOM 907 CA ASP A 60 -0.998 9.273 -6.098 1.00 1.00 C ATOM 908 C ASP A 60 0.083 8.195 -6.005 1.00 1.00 C ATOM 909 O ASP A 60 1.273 8.495 -6.096 1.00 1.00 O ATOM 910 CB ASP A 60 -1.338 9.476 -7.576 1.00 1.00 C ATOM 911 CG ASP A 60 -0.130 9.622 -8.503 1.00 1.00 C ATOM 912 OD1 ASP A 60 0.336 10.772 -8.651 1.00 1.00 O ATOM 913 OD2 ASP A 60 0.300 8.580 -9.043 1.00 1.00 O ATOM 0 H ASP A 60 0.071 11.075 -6.120 1.00 1.00 H new ATOM 0 HA ASP A 60 -1.897 8.974 -5.559 1.00 1.00 H new ATOM 0 HB2 ASP A 60 -1.937 8.631 -7.915 1.00 1.00 H new ATOM 0 HB3 ASP A 60 -1.960 10.366 -7.671 1.00 1.00 H new ATOM 918 N VAL A 61 -0.369 6.962 -5.826 1.00 1.00 N ATOM 919 CA VAL A 61 0.546 5.838 -5.719 1.00 1.00 C ATOM 920 C VAL A 61 -0.109 4.595 -6.325 1.00 1.00 C ATOM 921 O VAL A 61 -1.256 4.645 -6.765 1.00 1.00 O ATOM 922 CB VAL A 61 0.966 5.642 -4.261 1.00 1.00 C ATOM 923 CG1 VAL A 61 1.626 6.906 -3.706 1.00 1.00 C ATOM 924 CG2 VAL A 61 -0.225 5.221 -3.399 1.00 1.00 C ATOM 0 H VAL A 61 -1.356 6.717 -5.752 1.00 1.00 H new ATOM 0 HA VAL A 61 1.459 6.033 -6.282 1.00 1.00 H new ATOM 0 HB VAL A 61 1.702 4.839 -4.229 1.00 1.00 H new ATOM 0 HG11 VAL A 61 1.915 6.740 -2.668 1.00 1.00 H new ATOM 0 HG12 VAL A 61 2.511 7.143 -4.296 1.00 1.00 H new ATOM 0 HG13 VAL A 61 0.922 7.737 -3.758 1.00 1.00 H new ATOM 0 HG21 VAL A 61 0.101 5.088 -2.367 1.00 1.00 H new ATOM 0 HG22 VAL A 61 -0.994 5.992 -3.440 1.00 1.00 H new ATOM 0 HG23 VAL A 61 -0.632 4.282 -3.774 1.00 1.00 H new ATOM 934 N THR A 62 0.650 3.509 -6.329 1.00 1.00 N ATOM 935 CA THR A 62 0.158 2.254 -6.874 1.00 1.00 C ATOM 936 C THR A 62 0.463 1.101 -5.916 1.00 1.00 C ATOM 937 O THR A 62 1.584 0.976 -5.426 1.00 1.00 O ATOM 938 CB THR A 62 0.771 2.069 -8.263 1.00 1.00 C ATOM 939 OG1 THR A 62 -0.186 2.649 -9.145 1.00 1.00 O ATOM 940 CG2 THR A 62 0.828 0.600 -8.687 1.00 1.00 C ATOM 0 H THR A 62 1.602 3.472 -5.964 1.00 1.00 H new ATOM 0 HA THR A 62 -0.927 2.267 -6.981 1.00 1.00 H new ATOM 0 HB THR A 62 1.777 2.489 -8.275 1.00 1.00 H new ATOM 0 HG1 THR A 62 -0.262 3.608 -8.960 1.00 1.00 H new ATOM 0 HG21 THR A 62 1.271 0.525 -9.680 1.00 1.00 H new ATOM 0 HG22 THR A 62 1.434 0.039 -7.975 1.00 1.00 H new ATOM 0 HG23 THR A 62 -0.181 0.188 -8.708 1.00 1.00 H new ATOM 948 N ILE A 63 -0.555 0.287 -5.678 1.00 1.00 N ATOM 949 CA ILE A 63 -0.410 -0.852 -4.788 1.00 1.00 C ATOM 950 C ILE A 63 -0.322 -2.135 -5.618 1.00 1.00 C ATOM 951 O ILE A 63 -0.772 -2.171 -6.762 1.00 1.00 O ATOM 952 CB ILE A 63 -1.534 -0.868 -3.750 1.00 1.00 C ATOM 953 CG1 ILE A 63 -0.969 -0.835 -2.329 1.00 1.00 C ATOM 954 CG2 ILE A 63 -2.466 -2.062 -3.969 1.00 1.00 C ATOM 955 CD1 ILE A 63 -1.148 0.549 -1.700 1.00 1.00 C ATOM 0 H ILE A 63 -1.484 0.394 -6.086 1.00 1.00 H new ATOM 0 HA ILE A 63 0.517 -0.775 -4.220 1.00 1.00 H new ATOM 0 HB ILE A 63 -2.131 0.035 -3.880 1.00 1.00 H new ATOM 0 HG12 ILE A 63 -1.471 -1.584 -1.717 1.00 1.00 H new ATOM 0 HG13 ILE A 63 0.089 -1.096 -2.348 1.00 1.00 H new ATOM 0 HG21 ILE A 63 -3.256 -2.050 -3.218 1.00 1.00 H new ATOM 0 HG22 ILE A 63 -2.909 -2.000 -4.963 1.00 1.00 H new ATOM 0 HG23 ILE A 63 -1.898 -2.988 -3.882 1.00 1.00 H new ATOM 0 HD11 ILE A 63 -0.738 0.545 -0.690 1.00 1.00 H new ATOM 0 HD12 ILE A 63 -0.625 1.292 -2.301 1.00 1.00 H new ATOM 0 HD13 ILE A 63 -2.209 0.796 -1.660 1.00 1.00 H new ATOM 967 N THR A 64 0.263 -3.156 -5.009 1.00 1.00 N ATOM 968 CA THR A 64 0.416 -4.437 -5.678 1.00 1.00 C ATOM 969 C THR A 64 0.070 -5.582 -4.723 1.00 1.00 C ATOM 970 O THR A 64 0.405 -5.531 -3.541 1.00 1.00 O ATOM 971 CB THR A 64 1.841 -4.515 -6.229 1.00 1.00 C ATOM 972 OG1 THR A 64 2.154 -3.169 -6.575 1.00 1.00 O ATOM 973 CG2 THR A 64 1.914 -5.269 -7.558 1.00 1.00 C ATOM 0 H THR A 64 0.636 -3.122 -4.060 1.00 1.00 H new ATOM 0 HA THR A 64 -0.277 -4.532 -6.514 1.00 1.00 H new ATOM 0 HB THR A 64 2.486 -5.004 -5.499 1.00 1.00 H new ATOM 0 HG1 THR A 64 3.063 -3.128 -6.940 1.00 1.00 H new ATOM 0 HG21 THR A 64 2.947 -5.295 -7.905 1.00 1.00 H new ATOM 0 HG22 THR A 64 1.552 -6.288 -7.419 1.00 1.00 H new ATOM 0 HG23 THR A 64 1.295 -4.762 -8.298 1.00 1.00 H new ATOM 981 N VAL A 65 -0.595 -6.587 -5.272 1.00 1.00 N ATOM 982 CA VAL A 65 -0.990 -7.742 -4.484 1.00 1.00 C ATOM 983 C VAL A 65 -0.805 -9.011 -5.319 1.00 1.00 C ATOM 984 O VAL A 65 -1.341 -9.117 -6.422 1.00 1.00 O ATOM 985 CB VAL A 65 -2.422 -7.564 -3.976 1.00 1.00 C ATOM 986 CG1 VAL A 65 -3.436 -7.821 -5.093 1.00 1.00 C ATOM 987 CG2 VAL A 65 -2.693 -8.468 -2.771 1.00 1.00 C ATOM 0 H VAL A 65 -0.870 -6.626 -6.253 1.00 1.00 H new ATOM 0 HA VAL A 65 -0.356 -7.838 -3.602 1.00 1.00 H new ATOM 0 HB VAL A 65 -2.536 -6.530 -3.651 1.00 1.00 H new ATOM 0 HG11 VAL A 65 -4.446 -7.688 -4.705 1.00 1.00 H new ATOM 0 HG12 VAL A 65 -3.265 -7.118 -5.909 1.00 1.00 H new ATOM 0 HG13 VAL A 65 -3.320 -8.840 -5.462 1.00 1.00 H new ATOM 0 HG21 VAL A 65 -3.718 -8.322 -2.430 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -2.551 -9.510 -3.059 1.00 1.00 H new ATOM 0 HG23 VAL A 65 -2.003 -8.217 -1.965 1.00 1.00 H new ATOM 997 N ASP A 66 -0.045 -9.942 -4.762 1.00 1.00 N ATOM 998 CA ASP A 66 0.217 -11.200 -5.442 1.00 1.00 C ATOM 999 C ASP A 66 0.337 -12.319 -4.406 1.00 1.00 C ATOM 1000 O ASP A 66 1.151 -12.236 -3.488 1.00 1.00 O ATOM 1001 CB ASP A 66 1.529 -11.139 -6.226 1.00 1.00 C ATOM 1002 CG ASP A 66 2.180 -9.756 -6.291 1.00 1.00 C ATOM 1003 OD1 ASP A 66 1.490 -8.825 -6.760 1.00 1.00 O ATOM 1004 OD2 ASP A 66 3.353 -9.661 -5.870 1.00 1.00 O ATOM 0 H ASP A 66 0.398 -9.851 -3.848 1.00 1.00 H new ATOM 0 HA ASP A 66 -0.606 -11.389 -6.131 1.00 1.00 H new ATOM 0 HB2 ASP A 66 2.236 -11.836 -5.776 1.00 1.00 H new ATOM 0 HB3 ASP A 66 1.343 -11.485 -7.243 1.00 1.00 H new ATOM 1009 N GLY A 67 -0.487 -13.341 -4.587 1.00 1.00 N ATOM 1010 CA GLY A 67 -0.483 -14.476 -3.680 1.00 1.00 C ATOM 1011 C GLY A 67 -1.900 -15.015 -3.470 1.00 1.00 C ATOM 1012 O GLY A 67 -2.740 -14.924 -4.363 1.00 1.00 O ATOM 0 H GLY A 67 -1.162 -13.406 -5.349 1.00 1.00 H new ATOM 0 HA2 GLY A 67 0.154 -15.264 -4.081 1.00 1.00 H new ATOM 0 HA3 GLY A 67 -0.057 -14.179 -2.722 1.00 1.00 H new ATOM 1016 N ALA A 68 -2.120 -15.564 -2.285 1.00 1.00 N ATOM 1017 CA ALA A 68 -3.420 -16.117 -1.946 1.00 1.00 C ATOM 1018 C ALA A 68 -4.354 -14.986 -1.512 1.00 1.00 C ATOM 1019 O ALA A 68 -5.486 -14.894 -1.984 1.00 1.00 O ATOM 1020 CB ALA A 68 -3.254 -17.185 -0.864 1.00 1.00 C ATOM 0 H ALA A 68 -1.420 -15.638 -1.547 1.00 1.00 H new ATOM 0 HA ALA A 68 -3.870 -16.600 -2.814 1.00 1.00 H new ATOM 0 HB1 ALA A 68 -4.229 -17.600 -0.610 1.00 1.00 H new ATOM 0 HB2 ALA A 68 -2.607 -17.980 -1.234 1.00 1.00 H new ATOM 0 HB3 ALA A 68 -2.807 -16.737 0.024 1.00 1.00 H new ATOM 1026 N ASP A 69 -3.845 -14.153 -0.616 1.00 1.00 N ATOM 1027 CA ASP A 69 -4.619 -13.031 -0.112 1.00 1.00 C ATOM 1028 C ASP A 69 -4.933 -12.075 -1.264 1.00 1.00 C ATOM 1029 O ASP A 69 -5.920 -11.342 -1.216 1.00 1.00 O ATOM 1030 CB ASP A 69 -3.837 -12.254 0.948 1.00 1.00 C ATOM 1031 CG ASP A 69 -4.493 -12.204 2.329 1.00 1.00 C ATOM 1032 OD1 ASP A 69 -4.490 -13.261 2.997 1.00 1.00 O ATOM 1033 OD2 ASP A 69 -4.982 -11.111 2.687 1.00 1.00 O ATOM 0 H ASP A 69 -2.906 -14.233 -0.226 1.00 1.00 H new ATOM 0 HA ASP A 69 -5.534 -13.425 0.332 1.00 1.00 H new ATOM 0 HB2 ASP A 69 -2.848 -12.701 1.048 1.00 1.00 H new ATOM 0 HB3 ASP A 69 -3.691 -11.233 0.595 1.00 1.00 H new ATOM 1038 N GLU A 70 -4.075 -12.114 -2.273 1.00 1.00 N ATOM 1039 CA GLU A 70 -4.249 -11.259 -3.436 1.00 1.00 C ATOM 1040 C GLU A 70 -5.562 -10.481 -3.332 1.00 1.00 C ATOM 1041 O GLU A 70 -5.554 -9.270 -3.116 1.00 1.00 O ATOM 1042 CB GLU A 70 -4.196 -12.076 -4.729 1.00 1.00 C ATOM 1043 CG GLU A 70 -4.984 -13.380 -4.586 1.00 1.00 C ATOM 1044 CD GLU A 70 -6.252 -13.351 -5.442 1.00 1.00 C ATOM 1045 OE1 GLU A 70 -6.218 -12.661 -6.484 1.00 1.00 O ATOM 1046 OE2 GLU A 70 -7.227 -14.018 -5.034 1.00 1.00 O ATOM 0 H GLU A 70 -3.258 -12.724 -2.310 1.00 1.00 H new ATOM 0 HA GLU A 70 -3.427 -10.543 -3.463 1.00 1.00 H new ATOM 0 HB2 GLU A 70 -4.604 -11.489 -5.552 1.00 1.00 H new ATOM 0 HB3 GLU A 70 -3.159 -12.299 -4.980 1.00 1.00 H new ATOM 0 HG2 GLU A 70 -4.359 -14.222 -4.884 1.00 1.00 H new ATOM 0 HG3 GLU A 70 -5.250 -13.535 -3.540 1.00 1.00 H new ATOM 1053 N ALA A 71 -6.658 -11.208 -3.489 1.00 1.00 N ATOM 1054 CA ALA A 71 -7.976 -10.601 -3.415 1.00 1.00 C ATOM 1055 C ALA A 71 -8.129 -9.887 -2.071 1.00 1.00 C ATOM 1056 O ALA A 71 -8.063 -8.660 -2.005 1.00 1.00 O ATOM 1057 CB ALA A 71 -9.045 -11.674 -3.630 1.00 1.00 C ATOM 0 H ALA A 71 -6.660 -12.212 -3.667 1.00 1.00 H new ATOM 0 HA ALA A 71 -8.100 -9.855 -4.200 1.00 1.00 H new ATOM 0 HB1 ALA A 71 -10.034 -11.219 -3.574 1.00 1.00 H new ATOM 0 HB2 ALA A 71 -8.910 -12.131 -4.611 1.00 1.00 H new ATOM 0 HB3 ALA A 71 -8.954 -12.438 -2.858 1.00 1.00 H new ATOM 1063 N GLU A 72 -8.331 -10.684 -1.032 1.00 1.00 N ATOM 1064 CA GLU A 72 -8.494 -10.143 0.306 1.00 1.00 C ATOM 1065 C GLU A 72 -7.434 -9.074 0.579 1.00 1.00 C ATOM 1066 O GLU A 72 -7.755 -7.982 1.046 1.00 1.00 O ATOM 1067 CB GLU A 72 -8.436 -11.254 1.357 1.00 1.00 C ATOM 1068 CG GLU A 72 -7.987 -12.577 0.733 1.00 1.00 C ATOM 1069 CD GLU A 72 -7.604 -13.590 1.813 1.00 1.00 C ATOM 1070 OE1 GLU A 72 -7.216 -13.132 2.909 1.00 1.00 O ATOM 1071 OE2 GLU A 72 -7.708 -14.800 1.518 1.00 1.00 O ATOM 0 H GLU A 72 -8.385 -11.701 -1.090 1.00 1.00 H new ATOM 0 HA GLU A 72 -9.477 -9.677 0.371 1.00 1.00 H new ATOM 0 HB2 GLU A 72 -7.747 -10.971 2.153 1.00 1.00 H new ATOM 0 HB3 GLU A 72 -9.418 -11.378 1.814 1.00 1.00 H new ATOM 0 HG2 GLU A 72 -8.789 -12.983 0.116 1.00 1.00 H new ATOM 0 HG3 GLU A 72 -7.136 -12.402 0.075 1.00 1.00 H new ATOM 1078 N GLY A 73 -6.193 -9.425 0.276 1.00 1.00 N ATOM 1079 CA GLY A 73 -5.084 -8.509 0.483 1.00 1.00 C ATOM 1080 C GLY A 73 -5.419 -7.114 -0.049 1.00 1.00 C ATOM 1081 O GLY A 73 -5.788 -6.226 0.717 1.00 1.00 O ATOM 0 H GLY A 73 -5.931 -10.331 -0.111 1.00 1.00 H new ATOM 0 HA2 GLY A 73 -4.850 -8.450 1.546 1.00 1.00 H new ATOM 0 HA3 GLY A 73 -4.195 -8.890 -0.019 1.00 1.00 H new ATOM 1085 N MET A 74 -5.277 -6.966 -1.358 1.00 1.00 N ATOM 1086 CA MET A 74 -5.560 -5.694 -2.002 1.00 1.00 C ATOM 1087 C MET A 74 -6.931 -5.161 -1.584 1.00 1.00 C ATOM 1088 O MET A 74 -7.082 -3.970 -1.314 1.00 1.00 O ATOM 1089 CB MET A 74 -5.522 -5.872 -3.521 1.00 1.00 C ATOM 1090 CG MET A 74 -6.243 -7.154 -3.941 1.00 1.00 C ATOM 1091 SD MET A 74 -7.981 -6.827 -4.182 1.00 1.00 S ATOM 1092 CE MET A 74 -7.884 -5.453 -5.318 1.00 1.00 C ATOM 0 H MET A 74 -4.970 -7.705 -1.990 1.00 1.00 H new ATOM 0 HA MET A 74 -4.802 -4.974 -1.692 1.00 1.00 H new ATOM 0 HB2 MET A 74 -5.989 -5.013 -4.003 1.00 1.00 H new ATOM 0 HB3 MET A 74 -4.487 -5.905 -3.861 1.00 1.00 H new ATOM 0 HG2 MET A 74 -5.807 -7.541 -4.862 1.00 1.00 H new ATOM 0 HG3 MET A 74 -6.111 -7.921 -3.178 1.00 1.00 H new ATOM 0 HE1 MET A 74 -8.727 -4.783 -5.151 1.00 1.00 H new ATOM 0 HE2 MET A 74 -6.952 -4.911 -5.155 1.00 1.00 H new ATOM 0 HE3 MET A 74 -7.913 -5.825 -6.342 1.00 1.00 H new ATOM 1102 N ALA A 75 -7.896 -6.068 -1.543 1.00 1.00 N ATOM 1103 CA ALA A 75 -9.250 -5.703 -1.162 1.00 1.00 C ATOM 1104 C ALA A 75 -9.198 -4.707 -0.002 1.00 1.00 C ATOM 1105 O ALA A 75 -9.721 -3.599 -0.106 1.00 1.00 O ATOM 1106 CB ALA A 75 -10.040 -6.966 -0.812 1.00 1.00 C ATOM 0 H ALA A 75 -7.767 -7.055 -1.767 1.00 1.00 H new ATOM 0 HA ALA A 75 -9.764 -5.216 -1.991 1.00 1.00 H new ATOM 0 HB1 ALA A 75 -11.056 -6.692 -0.526 1.00 1.00 H new ATOM 0 HB2 ALA A 75 -10.072 -7.627 -1.678 1.00 1.00 H new ATOM 0 HB3 ALA A 75 -9.555 -7.480 0.018 1.00 1.00 H new ATOM 1112 N ALA A 76 -8.564 -5.139 1.078 1.00 1.00 N ATOM 1113 CA ALA A 76 -8.437 -4.299 2.257 1.00 1.00 C ATOM 1114 C ALA A 76 -7.756 -2.985 1.871 1.00 1.00 C ATOM 1115 O ALA A 76 -8.336 -1.912 2.026 1.00 1.00 O ATOM 1116 CB ALA A 76 -7.670 -5.056 3.343 1.00 1.00 C ATOM 0 H ALA A 76 -8.133 -6.060 1.162 1.00 1.00 H new ATOM 0 HA ALA A 76 -9.419 -4.055 2.662 1.00 1.00 H new ATOM 0 HB1 ALA A 76 -7.575 -4.426 4.227 1.00 1.00 H new ATOM 0 HB2 ALA A 76 -8.210 -5.966 3.603 1.00 1.00 H new ATOM 0 HB3 ALA A 76 -6.678 -5.316 2.974 1.00 1.00 H new ATOM 1122 N ILE A 77 -6.533 -3.112 1.376 1.00 1.00 N ATOM 1123 CA ILE A 77 -5.767 -1.948 0.966 1.00 1.00 C ATOM 1124 C ILE A 77 -6.667 -1.007 0.162 1.00 1.00 C ATOM 1125 O ILE A 77 -6.857 0.149 0.539 1.00 1.00 O ATOM 1126 CB ILE A 77 -4.501 -2.375 0.220 1.00 1.00 C ATOM 1127 CG1 ILE A 77 -3.277 -2.311 1.136 1.00 1.00 C ATOM 1128 CG2 ILE A 77 -4.309 -1.547 -1.052 1.00 1.00 C ATOM 1129 CD1 ILE A 77 -3.183 -0.951 1.831 1.00 1.00 C ATOM 0 H ILE A 77 -6.054 -4.004 1.250 1.00 1.00 H new ATOM 0 HA ILE A 77 -5.423 -1.392 1.838 1.00 1.00 H new ATOM 0 HB ILE A 77 -4.619 -3.414 -0.087 1.00 1.00 H new ATOM 0 HG12 ILE A 77 -3.336 -3.102 1.883 1.00 1.00 H new ATOM 0 HG13 ILE A 77 -2.373 -2.489 0.554 1.00 1.00 H new ATOM 0 HG21 ILE A 77 -3.402 -1.870 -1.563 1.00 1.00 H new ATOM 0 HG22 ILE A 77 -5.166 -1.687 -1.710 1.00 1.00 H new ATOM 0 HG23 ILE A 77 -4.221 -0.493 -0.790 1.00 1.00 H new ATOM 0 HD11 ILE A 77 -2.305 -0.932 2.476 1.00 1.00 H new ATOM 0 HD12 ILE A 77 -3.100 -0.164 1.081 1.00 1.00 H new ATOM 0 HD13 ILE A 77 -4.078 -0.787 2.432 1.00 1.00 H new ATOM 1141 N VAL A 78 -7.197 -1.537 -0.930 1.00 1.00 N ATOM 1142 CA VAL A 78 -8.073 -0.759 -1.790 1.00 1.00 C ATOM 1143 C VAL A 78 -9.152 -0.088 -0.939 1.00 1.00 C ATOM 1144 O VAL A 78 -9.253 1.137 -0.910 1.00 1.00 O ATOM 1145 CB VAL A 78 -8.648 -1.650 -2.893 1.00 1.00 C ATOM 1146 CG1 VAL A 78 -9.252 -0.807 -4.019 1.00 1.00 C ATOM 1147 CG2 VAL A 78 -7.586 -2.608 -3.435 1.00 1.00 C ATOM 0 H VAL A 78 -7.037 -2.496 -1.239 1.00 1.00 H new ATOM 0 HA VAL A 78 -7.514 0.033 -2.289 1.00 1.00 H new ATOM 0 HB VAL A 78 -9.447 -2.249 -2.457 1.00 1.00 H new ATOM 0 HG11 VAL A 78 -9.654 -1.464 -4.790 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -10.053 -0.185 -3.619 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -8.480 -0.170 -4.451 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -8.022 -3.229 -4.217 1.00 1.00 H new ATOM 0 HG22 VAL A 78 -6.755 -2.035 -3.847 1.00 1.00 H new ATOM 0 HG23 VAL A 78 -7.223 -3.243 -2.627 1.00 1.00 H new ATOM 1157 N GLU A 79 -9.933 -0.921 -0.266 1.00 1.00 N ATOM 1158 CA GLU A 79 -11.002 -0.424 0.584 1.00 1.00 C ATOM 1159 C GLU A 79 -10.453 0.596 1.583 1.00 1.00 C ATOM 1160 O GLU A 79 -11.003 1.688 1.726 1.00 1.00 O ATOM 1161 CB GLU A 79 -11.708 -1.573 1.305 1.00 1.00 C ATOM 1162 CG GLU A 79 -13.059 -1.881 0.654 1.00 1.00 C ATOM 1163 CD GLU A 79 -14.205 -1.673 1.646 1.00 1.00 C ATOM 1164 OE1 GLU A 79 -14.332 -2.524 2.553 1.00 1.00 O ATOM 1165 OE2 GLU A 79 -14.929 -0.669 1.474 1.00 1.00 O ATOM 0 H GLU A 79 -9.847 -1.937 -0.292 1.00 1.00 H new ATOM 0 HA GLU A 79 -11.740 0.073 -0.045 1.00 1.00 H new ATOM 0 HB2 GLU A 79 -11.078 -2.462 1.283 1.00 1.00 H new ATOM 0 HB3 GLU A 79 -11.856 -1.313 2.353 1.00 1.00 H new ATOM 0 HG2 GLU A 79 -13.203 -1.238 -0.214 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -13.067 -2.910 0.294 1.00 1.00 H new ATOM 1172 N THR A 80 -9.377 0.205 2.250 1.00 1.00 N ATOM 1173 CA THR A 80 -8.749 1.072 3.232 1.00 1.00 C ATOM 1174 C THR A 80 -8.307 2.384 2.580 1.00 1.00 C ATOM 1175 O THR A 80 -8.518 3.460 3.138 1.00 1.00 O ATOM 1176 CB THR A 80 -7.599 0.297 3.879 1.00 1.00 C ATOM 1177 OG1 THR A 80 -7.910 0.312 5.270 1.00 1.00 O ATOM 1178 CG2 THR A 80 -6.266 1.043 3.788 1.00 1.00 C ATOM 0 H THR A 80 -8.924 -0.701 2.129 1.00 1.00 H new ATOM 0 HA THR A 80 -9.451 1.356 4.016 1.00 1.00 H new ATOM 0 HB THR A 80 -7.503 -0.677 3.400 1.00 1.00 H new ATOM 0 HG1 THR A 80 -7.216 -0.171 5.766 1.00 1.00 H new ATOM 0 HG21 THR A 80 -5.484 0.450 4.262 1.00 1.00 H new ATOM 0 HG22 THR A 80 -6.012 1.208 2.741 1.00 1.00 H new ATOM 0 HG23 THR A 80 -6.351 2.003 4.296 1.00 1.00 H new ATOM 1186 N LEU A 81 -7.702 2.251 1.409 1.00 1.00 N ATOM 1187 CA LEU A 81 -7.229 3.412 0.676 1.00 1.00 C ATOM 1188 C LEU A 81 -8.333 4.471 0.637 1.00 1.00 C ATOM 1189 O LEU A 81 -8.092 5.636 0.948 1.00 1.00 O ATOM 1190 CB LEU A 81 -6.721 3.002 -0.708 1.00 1.00 C ATOM 1191 CG LEU A 81 -5.336 2.355 -0.750 1.00 1.00 C ATOM 1192 CD1 LEU A 81 -4.374 3.174 -1.613 1.00 1.00 C ATOM 1193 CD2 LEU A 81 -4.791 2.134 0.663 1.00 1.00 C ATOM 0 H LEU A 81 -7.529 1.357 0.950 1.00 1.00 H new ATOM 0 HA LEU A 81 -6.375 3.860 1.184 1.00 1.00 H new ATOM 0 HB2 LEU A 81 -7.438 2.307 -1.145 1.00 1.00 H new ATOM 0 HB3 LEU A 81 -6.706 3.887 -1.344 1.00 1.00 H new ATOM 0 HG LEU A 81 -5.431 1.374 -1.216 1.00 1.00 H new ATOM 0 HD11 LEU A 81 -3.396 2.692 -1.626 1.00 1.00 H new ATOM 0 HD12 LEU A 81 -4.761 3.237 -2.630 1.00 1.00 H new ATOM 0 HD13 LEU A 81 -4.278 4.178 -1.199 1.00 1.00 H new ATOM 0 HD21 LEU A 81 -3.805 1.673 0.605 1.00 1.00 H new ATOM 0 HD22 LEU A 81 -4.714 3.092 1.177 1.00 1.00 H new ATOM 0 HD23 LEU A 81 -5.466 1.480 1.215 1.00 1.00 H new ATOM 1205 N GLN A 82 -9.521 4.027 0.252 1.00 1.00 N ATOM 1206 CA GLN A 82 -10.663 4.921 0.168 1.00 1.00 C ATOM 1207 C GLN A 82 -11.448 4.903 1.481 1.00 1.00 C ATOM 1208 O GLN A 82 -12.292 5.767 1.716 1.00 1.00 O ATOM 1209 CB GLN A 82 -11.562 4.554 -1.014 1.00 1.00 C ATOM 1210 CG GLN A 82 -10.798 3.720 -2.045 1.00 1.00 C ATOM 1211 CD GLN A 82 -11.302 2.275 -2.063 1.00 1.00 C ATOM 1212 OE1 GLN A 82 -12.092 1.855 -1.233 1.00 1.00 O ATOM 1213 NE2 GLN A 82 -10.802 1.540 -3.052 1.00 1.00 N ATOM 0 H GLN A 82 -9.717 3.060 -0.005 1.00 1.00 H new ATOM 0 HA GLN A 82 -10.296 5.933 0.001 1.00 1.00 H new ATOM 0 HB2 GLN A 82 -12.427 3.995 -0.658 1.00 1.00 H new ATOM 0 HB3 GLN A 82 -11.940 5.462 -1.484 1.00 1.00 H new ATOM 0 HG2 GLN A 82 -10.915 4.162 -3.034 1.00 1.00 H new ATOM 0 HG3 GLN A 82 -9.733 3.735 -1.813 1.00 1.00 H new ATOM 0 HE21 GLN A 82 -10.145 1.954 -3.713 1.00 1.00 H new ATOM 0 HE22 GLN A 82 -11.076 0.562 -3.150 1.00 1.00 H new ATOM 1222 N LYS A 83 -11.143 3.909 2.303 1.00 1.00 N ATOM 1223 CA LYS A 83 -11.810 3.767 3.586 1.00 1.00 C ATOM 1224 C LYS A 83 -11.168 4.718 4.597 1.00 1.00 C ATOM 1225 O LYS A 83 -11.863 5.325 5.411 1.00 1.00 O ATOM 1226 CB LYS A 83 -11.809 2.303 4.031 1.00 1.00 C ATOM 1227 CG LYS A 83 -11.231 2.160 5.440 1.00 1.00 C ATOM 1228 CD LYS A 83 -11.352 0.718 5.938 1.00 1.00 C ATOM 1229 CE LYS A 83 -11.421 -0.263 4.766 1.00 1.00 C ATOM 1230 NZ LYS A 83 -11.704 -1.632 5.251 1.00 1.00 N ATOM 0 H LYS A 83 -10.443 3.194 2.105 1.00 1.00 H new ATOM 0 HA LYS A 83 -12.859 4.050 3.504 1.00 1.00 H new ATOM 0 HB2 LYS A 83 -12.826 1.912 4.010 1.00 1.00 H new ATOM 0 HB3 LYS A 83 -11.223 1.707 3.331 1.00 1.00 H new ATOM 0 HG2 LYS A 83 -10.184 2.462 5.440 1.00 1.00 H new ATOM 0 HG3 LYS A 83 -11.755 2.829 6.122 1.00 1.00 H new ATOM 0 HD2 LYS A 83 -10.498 0.475 6.570 1.00 1.00 H new ATOM 0 HD3 LYS A 83 -12.245 0.616 6.555 1.00 1.00 H new ATOM 0 HE2 LYS A 83 -12.198 0.049 4.068 1.00 1.00 H new ATOM 0 HE3 LYS A 83 -10.478 -0.252 4.219 1.00 1.00 H new ATOM 0 HZ1 LYS A 83 -11.747 -2.285 4.442 1.00 1.00 H new ATOM 0 HZ2 LYS A 83 -10.949 -1.934 5.899 1.00 1.00 H new ATOM 0 HZ3 LYS A 83 -12.615 -1.641 5.753 1.00 1.00 H new ATOM 1244 N GLU A 84 -9.850 4.819 4.513 1.00 1.00 N ATOM 1245 CA GLU A 84 -9.107 5.686 5.411 1.00 1.00 C ATOM 1246 C GLU A 84 -8.849 7.041 4.749 1.00 1.00 C ATOM 1247 O GLU A 84 -8.042 7.831 5.236 1.00 1.00 O ATOM 1248 CB GLU A 84 -7.794 5.030 5.845 1.00 1.00 C ATOM 1249 CG GLU A 84 -7.960 3.516 5.991 1.00 1.00 C ATOM 1250 CD GLU A 84 -8.778 3.171 7.237 1.00 1.00 C ATOM 1251 OE1 GLU A 84 -9.309 4.122 7.849 1.00 1.00 O ATOM 1252 OE2 GLU A 84 -8.853 1.963 7.549 1.00 1.00 O ATOM 0 H GLU A 84 -9.277 4.314 3.836 1.00 1.00 H new ATOM 0 HA GLU A 84 -9.708 5.849 6.306 1.00 1.00 H new ATOM 0 HB2 GLU A 84 -7.016 5.245 5.112 1.00 1.00 H new ATOM 0 HB3 GLU A 84 -7.466 5.457 6.793 1.00 1.00 H new ATOM 0 HG2 GLU A 84 -8.452 3.114 5.106 1.00 1.00 H new ATOM 0 HG3 GLU A 84 -6.980 3.044 6.053 1.00 1.00 H new ATOM 1259 N GLY A 85 -9.551 7.268 3.648 1.00 1.00 N ATOM 1260 CA GLY A 85 -9.409 8.514 2.914 1.00 1.00 C ATOM 1261 C GLY A 85 -7.954 8.743 2.499 1.00 1.00 C ATOM 1262 O GLY A 85 -7.587 9.844 2.092 1.00 1.00 O ATOM 0 H GLY A 85 -10.219 6.610 3.247 1.00 1.00 H new ATOM 0 HA2 GLY A 85 -10.044 8.493 2.029 1.00 1.00 H new ATOM 0 HA3 GLY A 85 -9.750 9.345 3.532 1.00 1.00 H new ATOM 1266 N LEU A 86 -7.165 7.685 2.617 1.00 1.00 N ATOM 1267 CA LEU A 86 -5.758 7.757 2.259 1.00 1.00 C ATOM 1268 C LEU A 86 -5.626 7.809 0.736 1.00 1.00 C ATOM 1269 O LEU A 86 -4.820 8.572 0.205 1.00 1.00 O ATOM 1270 CB LEU A 86 -4.982 6.607 2.905 1.00 1.00 C ATOM 1271 CG LEU A 86 -4.032 6.994 4.040 1.00 1.00 C ATOM 1272 CD1 LEU A 86 -3.363 5.755 4.640 1.00 1.00 C ATOM 1273 CD2 LEU A 86 -3.007 8.027 3.569 1.00 1.00 C ATOM 0 H LEU A 86 -7.473 6.773 2.955 1.00 1.00 H new ATOM 0 HA LEU A 86 -5.311 8.672 2.649 1.00 1.00 H new ATOM 0 HB2 LEU A 86 -5.699 5.882 3.289 1.00 1.00 H new ATOM 0 HB3 LEU A 86 -4.404 6.104 2.130 1.00 1.00 H new ATOM 0 HG LEU A 86 -4.618 7.460 4.832 1.00 1.00 H new ATOM 0 HD11 LEU A 86 -2.693 6.057 5.445 1.00 1.00 H new ATOM 0 HD12 LEU A 86 -4.126 5.085 5.036 1.00 1.00 H new ATOM 0 HD13 LEU A 86 -2.793 5.239 3.867 1.00 1.00 H new ATOM 0 HD21 LEU A 86 -2.344 8.285 4.395 1.00 1.00 H new ATOM 0 HD22 LEU A 86 -2.421 7.611 2.750 1.00 1.00 H new ATOM 0 HD23 LEU A 86 -3.525 8.923 3.226 1.00 1.00 H new ATOM 1285 N ALA A 87 -6.429 6.988 0.075 1.00 1.00 N ATOM 1286 CA ALA A 87 -6.412 6.932 -1.376 1.00 1.00 C ATOM 1287 C ALA A 87 -7.841 6.750 -1.892 1.00 1.00 C ATOM 1288 O ALA A 87 -8.736 6.378 -1.135 1.00 1.00 O ATOM 1289 CB ALA A 87 -5.480 5.808 -1.833 1.00 1.00 C ATOM 0 H ALA A 87 -7.096 6.356 0.518 1.00 1.00 H new ATOM 0 HA ALA A 87 -6.027 7.864 -1.791 1.00 1.00 H new ATOM 0 HB1 ALA A 87 -5.467 5.766 -2.922 1.00 1.00 H new ATOM 0 HB2 ALA A 87 -4.472 5.999 -1.465 1.00 1.00 H new ATOM 0 HB3 ALA A 87 -5.836 4.857 -1.437 1.00 1.00 H new ATOM 1295 N GLU A 88 -8.010 7.019 -3.178 1.00 1.00 N ATOM 1296 CA GLU A 88 -9.315 6.890 -3.805 1.00 1.00 C ATOM 1297 C GLU A 88 -9.441 5.529 -4.492 1.00 1.00 C ATOM 1298 O GLU A 88 -8.482 4.760 -4.535 1.00 1.00 O ATOM 1299 CB GLU A 88 -9.564 8.030 -4.795 1.00 1.00 C ATOM 1300 CG GLU A 88 -8.346 8.249 -5.695 1.00 1.00 C ATOM 1301 CD GLU A 88 -8.774 8.653 -7.107 1.00 1.00 C ATOM 1302 OE1 GLU A 88 -9.716 9.469 -7.203 1.00 1.00 O ATOM 1303 OE2 GLU A 88 -8.149 8.137 -8.059 1.00 1.00 O ATOM 0 H GLU A 88 -7.265 7.326 -3.803 1.00 1.00 H new ATOM 0 HA GLU A 88 -10.077 6.955 -3.029 1.00 1.00 H new ATOM 0 HB2 GLU A 88 -10.437 7.801 -5.407 1.00 1.00 H new ATOM 0 HB3 GLU A 88 -9.788 8.947 -4.250 1.00 1.00 H new ATOM 0 HG2 GLU A 88 -7.709 9.024 -5.269 1.00 1.00 H new ATOM 0 HG3 GLU A 88 -7.752 7.336 -5.738 1.00 1.00 H new