USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 817 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 52 GLN :FLIP amide:sc= -1.74 F(o=-3.9!,f=-2.1) USER MOD Set 1.2: A 116 MET CE :methyl -141:sc= -0.134 (180deg=-0.955) USER MOD Set 1.3: A 121 GLN : amide:sc= -0.175 X(o=-2.1,f=-2.4) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl -152:sc= -0.262 (180deg=-1.12) USER MOD Single : A 41 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0125) USER MOD Single : A 43 HIS : no HD1:sc= -0.324 X(o=-0.32,f=-0.24) USER MOD Single : A 47 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.423) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 121:sc= 0.937 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= -1.32 K(o=-1.3,f=-5.5!) USER MOD Single : A 87 LYS NZ :NH3+ -164:sc= -0.0378 (180deg=-0.317) USER MOD Single : A 89 CYS SG : rot 180:sc= -0.472 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 9:sc= 0.871 USER MOD Single : A 95 CYS SG : rot 180:sc= -0.855 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -1.15 X(o=-1.1,f=-0.97) USER MOD Single : A 105 SER OG : rot -29:sc= 0.339 USER MOD Single : A 108 HIS : no HD1:sc= 0.0326 K(o=0.033,f=-5.4!) USER MOD Single : A 110 GLN : amide:sc= -0.462 X(o=-0.46,f=-0.063) USER MOD Single : A 111 LYS NZ :NH3+ -134:sc= -4.15! (180deg=-8.23!) USER MOD Single : A 112 THR OG1 : rot 180:sc= -0.0392 USER MOD Single : A 117 ASN : amide:sc= -0.551 K(o=-0.55,f=-2.4!) USER MOD Single : A 123 LYS NZ :NH3+ -161:sc= -0.0311 (180deg=-0.292) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 137 SER OG : rot 180:sc= -0.029 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 31 -6.117 1.936 -14.489 1.00 0.00 N ATOM 2 CA GLY A 31 -6.903 3.096 -14.111 1.00 0.00 C ATOM 3 C GLY A 31 -7.018 4.108 -15.233 1.00 0.00 C ATOM 4 O GLY A 31 -7.750 3.894 -16.200 1.00 0.00 O ATOM 0 HA2 GLY A 31 -7.901 2.774 -13.813 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.449 3.572 -13.242 1.00 0.00 H new ATOM 8 N SER A 32 -6.295 5.216 -15.104 1.00 0.00 N ATOM 9 CA SER A 32 -6.324 6.269 -16.113 1.00 0.00 C ATOM 10 C SER A 32 -4.967 6.401 -16.799 1.00 0.00 C ATOM 11 O SER A 32 -3.979 6.788 -16.175 1.00 0.00 O ATOM 12 CB SER A 32 -6.719 7.603 -15.477 1.00 0.00 C ATOM 13 OG SER A 32 -8.089 7.611 -15.117 1.00 0.00 O ATOM 0 H SER A 32 -5.682 5.408 -14.311 1.00 0.00 H new ATOM 0 HA SER A 32 -7.067 5.999 -16.864 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.107 7.784 -14.593 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.519 8.416 -16.175 1.00 0.00 H new ATOM 0 HG SER A 32 -8.316 8.474 -14.711 1.00 0.00 H new ATOM 19 N SER A 33 -4.929 6.076 -18.087 1.00 0.00 N ATOM 20 CA SER A 33 -3.693 6.154 -18.858 1.00 0.00 C ATOM 21 C SER A 33 -3.823 7.167 -19.991 1.00 0.00 C ATOM 22 O SER A 33 -4.289 6.839 -21.082 1.00 0.00 O ATOM 23 CB SER A 33 -3.334 4.780 -19.427 1.00 0.00 C ATOM 24 OG SER A 33 -2.021 4.775 -19.958 1.00 0.00 O ATOM 0 H SER A 33 -5.739 5.756 -18.619 1.00 0.00 H new ATOM 0 HA SER A 33 -2.897 6.482 -18.189 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.416 4.026 -18.644 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.046 4.508 -20.207 1.00 0.00 H new ATOM 0 HG SER A 33 -1.815 3.885 -20.314 1.00 0.00 H new ATOM 30 N GLY A 34 -3.408 8.402 -19.724 1.00 0.00 N ATOM 31 CA GLY A 34 -3.486 9.445 -20.730 1.00 0.00 C ATOM 32 C GLY A 34 -2.188 9.612 -21.494 1.00 0.00 C ATOM 33 O GLY A 34 -1.456 8.645 -21.707 1.00 0.00 O ATOM 0 H GLY A 34 -3.019 8.698 -18.829 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.288 9.211 -21.430 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.746 10.389 -20.251 1.00 0.00 H new ATOM 37 N SER A 35 -1.901 10.841 -21.910 1.00 0.00 N ATOM 38 CA SER A 35 -0.685 11.131 -22.660 1.00 0.00 C ATOM 39 C SER A 35 0.543 11.048 -21.758 1.00 0.00 C ATOM 40 O SER A 35 1.526 10.384 -22.088 1.00 0.00 O ATOM 41 CB SER A 35 -0.771 12.519 -23.296 1.00 0.00 C ATOM 42 OG SER A 35 0.367 12.784 -24.098 1.00 0.00 O ATOM 0 H SER A 35 -2.495 11.653 -21.740 1.00 0.00 H new ATOM 0 HA SER A 35 -0.587 10.384 -23.448 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.673 12.588 -23.904 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.854 13.276 -22.516 1.00 0.00 H new ATOM 0 HG SER A 35 0.287 13.677 -24.494 1.00 0.00 H new ATOM 48 N SER A 36 0.478 11.726 -20.617 1.00 0.00 N ATOM 49 CA SER A 36 1.584 11.733 -19.667 1.00 0.00 C ATOM 50 C SER A 36 1.748 10.364 -19.013 1.00 0.00 C ATOM 51 O SER A 36 1.012 10.012 -18.092 1.00 0.00 O ATOM 52 CB SER A 36 1.357 12.800 -18.594 1.00 0.00 C ATOM 53 OG SER A 36 2.566 13.117 -17.927 1.00 0.00 O ATOM 0 H SER A 36 -0.329 12.278 -20.328 1.00 0.00 H new ATOM 0 HA SER A 36 2.498 11.967 -20.214 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.944 13.699 -19.052 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.622 12.444 -17.872 1.00 0.00 H new ATOM 0 HG SER A 36 2.395 13.802 -17.247 1.00 0.00 H new ATOM 59 N GLY A 37 2.719 9.596 -19.498 1.00 0.00 N ATOM 60 CA GLY A 37 2.962 8.274 -18.949 1.00 0.00 C ATOM 61 C GLY A 37 3.754 8.319 -17.658 1.00 0.00 C ATOM 62 O GLY A 37 3.370 7.704 -16.663 1.00 0.00 O ATOM 0 H GLY A 37 3.341 9.865 -20.260 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.008 7.778 -18.769 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.501 7.673 -19.682 1.00 0.00 H new ATOM 66 N VAL A 38 4.866 9.048 -17.673 1.00 0.00 N ATOM 67 CA VAL A 38 5.715 9.171 -16.494 1.00 0.00 C ATOM 68 C VAL A 38 4.881 9.251 -15.221 1.00 0.00 C ATOM 69 O VAL A 38 3.886 9.974 -15.146 1.00 0.00 O ATOM 70 CB VAL A 38 6.621 10.414 -16.581 1.00 0.00 C ATOM 71 CG1 VAL A 38 7.804 10.281 -15.634 1.00 0.00 C ATOM 72 CG2 VAL A 38 7.093 10.629 -18.011 1.00 0.00 C ATOM 0 H VAL A 38 5.200 9.562 -18.488 1.00 0.00 H new ATOM 0 HA VAL A 38 6.339 8.278 -16.460 1.00 0.00 H new ATOM 0 HB VAL A 38 6.042 11.286 -16.279 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.432 11.168 -15.710 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.442 10.179 -14.611 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.387 9.400 -15.902 1.00 0.00 H new ATOM 0 HG21 VAL A 38 7.732 11.511 -18.055 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.656 9.757 -18.343 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.230 10.774 -18.661 1.00 0.00 H new ATOM 82 N PRO A 39 5.293 8.493 -14.194 1.00 0.00 N ATOM 83 CA PRO A 39 4.597 8.462 -12.904 1.00 0.00 C ATOM 84 C PRO A 39 4.753 9.767 -12.130 1.00 0.00 C ATOM 85 O PRO A 39 5.770 9.994 -11.476 1.00 0.00 O ATOM 86 CB PRO A 39 5.283 7.314 -12.159 1.00 0.00 C ATOM 87 CG PRO A 39 6.639 7.222 -12.770 1.00 0.00 C ATOM 88 CD PRO A 39 6.469 7.608 -14.213 1.00 0.00 C ATOM 0 HA PRO A 39 3.522 8.329 -13.024 1.00 0.00 H new ATOM 0 HB2 PRO A 39 5.344 7.516 -11.090 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.732 6.381 -12.276 1.00 0.00 H new ATOM 0 HG2 PRO A 39 7.340 7.889 -12.267 1.00 0.00 H new ATOM 0 HG3 PRO A 39 7.040 6.212 -12.681 1.00 0.00 H new ATOM 0 HD2 PRO A 39 7.351 8.120 -14.598 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.305 6.736 -14.846 1.00 0.00 H new ATOM 96 N MET A 40 3.737 10.621 -12.209 1.00 0.00 N ATOM 97 CA MET A 40 3.762 11.903 -11.514 1.00 0.00 C ATOM 98 C MET A 40 2.576 12.028 -10.564 1.00 0.00 C ATOM 99 O MET A 40 1.444 11.699 -10.919 1.00 0.00 O ATOM 100 CB MET A 40 3.746 13.054 -12.522 1.00 0.00 C ATOM 101 CG MET A 40 2.742 12.863 -13.647 1.00 0.00 C ATOM 102 SD MET A 40 2.226 14.424 -14.389 1.00 0.00 S ATOM 103 CE MET A 40 1.400 15.201 -13.003 1.00 0.00 C ATOM 0 H MET A 40 2.887 10.449 -12.747 1.00 0.00 H new ATOM 0 HA MET A 40 4.681 11.954 -10.930 1.00 0.00 H new ATOM 0 HB2 MET A 40 3.519 13.982 -11.998 1.00 0.00 H new ATOM 0 HB3 MET A 40 4.742 13.165 -12.950 1.00 0.00 H new ATOM 0 HG2 MET A 40 3.180 12.227 -14.416 1.00 0.00 H new ATOM 0 HG3 MET A 40 1.866 12.341 -13.262 1.00 0.00 H new ATOM 0 HE1 MET A 40 0.632 15.881 -13.372 1.00 0.00 H new ATOM 0 HE2 MET A 40 0.938 14.436 -12.379 1.00 0.00 H new ATOM 0 HE3 MET A 40 2.126 15.760 -12.413 1.00 0.00 H new ATOM 113 N LYS A 41 2.842 12.506 -9.353 1.00 0.00 N ATOM 114 CA LYS A 41 1.797 12.676 -8.350 1.00 0.00 C ATOM 115 C LYS A 41 1.576 14.153 -8.039 1.00 0.00 C ATOM 116 O LYS A 41 2.171 15.026 -8.672 1.00 0.00 O ATOM 117 CB LYS A 41 2.164 11.924 -7.069 1.00 0.00 C ATOM 118 CG LYS A 41 3.257 12.599 -6.259 1.00 0.00 C ATOM 119 CD LYS A 41 4.640 12.187 -6.738 1.00 0.00 C ATOM 120 CE LYS A 41 5.666 12.275 -5.619 1.00 0.00 C ATOM 121 NZ LYS A 41 5.841 13.673 -5.136 1.00 0.00 N ATOM 0 H LYS A 41 3.773 12.783 -9.042 1.00 0.00 H new ATOM 0 HA LYS A 41 0.871 12.265 -8.753 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.273 11.824 -6.449 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.486 10.916 -7.329 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.152 13.681 -6.335 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.143 12.341 -5.206 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.605 11.167 -7.121 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.946 12.828 -7.565 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.354 11.640 -4.789 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.623 11.890 -5.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.585 13.699 -4.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.114 14.284 -5.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.947 14.014 -4.729 1.00 0.00 H new ATOM 135 N ASP A 42 0.719 14.426 -7.061 1.00 0.00 N ATOM 136 CA ASP A 42 0.422 15.797 -6.665 1.00 0.00 C ATOM 137 C ASP A 42 1.404 16.281 -5.602 1.00 0.00 C ATOM 138 O ASP A 42 2.011 15.478 -4.892 1.00 0.00 O ATOM 139 CB ASP A 42 -1.010 15.900 -6.139 1.00 0.00 C ATOM 140 CG ASP A 42 -1.543 17.319 -6.184 1.00 0.00 C ATOM 141 OD1 ASP A 42 -1.206 18.049 -7.139 1.00 0.00 O ATOM 142 OD2 ASP A 42 -2.298 17.698 -5.265 1.00 0.00 O ATOM 0 H ASP A 42 0.218 13.715 -6.528 1.00 0.00 H new ATOM 0 HA ASP A 42 0.524 16.433 -7.544 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.658 15.253 -6.730 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -1.044 15.535 -5.113 1.00 0.00 H new ATOM 147 N HIS A 43 1.556 17.597 -5.499 1.00 0.00 N ATOM 148 CA HIS A 43 2.465 18.188 -4.523 1.00 0.00 C ATOM 149 C HIS A 43 2.003 17.888 -3.100 1.00 0.00 C ATOM 150 O HIS A 43 2.778 17.997 -2.149 1.00 0.00 O ATOM 151 CB HIS A 43 2.561 19.699 -4.733 1.00 0.00 C ATOM 152 CG HIS A 43 1.229 20.380 -4.802 1.00 0.00 C ATOM 153 ND1 HIS A 43 0.549 20.818 -3.685 1.00 0.00 N ATOM 154 CD2 HIS A 43 0.451 20.699 -5.863 1.00 0.00 C ATOM 155 CE1 HIS A 43 -0.590 21.375 -4.056 1.00 0.00 C ATOM 156 NE2 HIS A 43 -0.673 21.317 -5.373 1.00 0.00 N ATOM 0 H HIS A 43 1.062 18.275 -6.079 1.00 0.00 H new ATOM 0 HA HIS A 43 3.451 17.746 -4.667 1.00 0.00 H new ATOM 0 HB2 HIS A 43 3.141 20.134 -3.919 1.00 0.00 H new ATOM 0 HB3 HIS A 43 3.108 19.895 -5.655 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.673 20.504 -6.902 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -1.328 21.805 -3.395 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -1.446 21.673 -5.935 1.00 0.00 H new ATOM 165 N ASP A 44 0.737 17.511 -2.961 1.00 0.00 N ATOM 166 CA ASP A 44 0.172 17.195 -1.655 1.00 0.00 C ATOM 167 C ASP A 44 -0.404 15.783 -1.638 1.00 0.00 C ATOM 168 O ASP A 44 -1.333 15.489 -0.886 1.00 0.00 O ATOM 169 CB ASP A 44 -0.915 18.207 -1.288 1.00 0.00 C ATOM 170 CG ASP A 44 -0.344 19.485 -0.706 1.00 0.00 C ATOM 171 OD1 ASP A 44 0.821 19.464 -0.256 1.00 0.00 O ATOM 172 OD2 ASP A 44 -1.061 20.507 -0.700 1.00 0.00 O ATOM 0 H ASP A 44 0.082 17.417 -3.737 1.00 0.00 H new ATOM 0 HA ASP A 44 0.973 17.249 -0.918 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -1.500 18.445 -2.176 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.598 17.757 -0.568 1.00 0.00 H new ATOM 177 N ALA A 45 0.152 14.913 -2.475 1.00 0.00 N ATOM 178 CA ALA A 45 -0.305 13.531 -2.556 1.00 0.00 C ATOM 179 C ALA A 45 -0.260 12.857 -1.189 1.00 0.00 C ATOM 180 O ALA A 45 0.139 13.469 -0.197 1.00 0.00 O ATOM 181 CB ALA A 45 0.536 12.754 -3.558 1.00 0.00 C ATOM 0 H ALA A 45 0.920 15.141 -3.107 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.341 13.536 -2.895 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.183 11.724 -3.608 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.449 13.215 -4.542 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.580 12.765 -3.243 1.00 0.00 H new ATOM 187 N ILE A 46 -0.672 11.594 -1.143 1.00 0.00 N ATOM 188 CA ILE A 46 -0.677 10.838 0.103 1.00 0.00 C ATOM 189 C ILE A 46 -0.277 9.386 -0.134 1.00 0.00 C ATOM 190 O ILE A 46 -0.695 8.766 -1.113 1.00 0.00 O ATOM 191 CB ILE A 46 -2.062 10.873 0.777 1.00 0.00 C ATOM 192 CG1 ILE A 46 -2.553 12.316 0.906 1.00 0.00 C ATOM 193 CG2 ILE A 46 -2.004 10.203 2.142 1.00 0.00 C ATOM 194 CD1 ILE A 46 -3.957 12.430 1.457 1.00 0.00 C ATOM 0 H ILE A 46 -1.006 11.073 -1.954 1.00 0.00 H new ATOM 0 HA ILE A 46 0.051 11.311 0.762 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.767 10.323 0.154 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.871 12.867 1.554 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.516 12.793 -0.074 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.990 10.236 2.606 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.692 9.165 2.025 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.288 10.728 2.775 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.239 13.481 1.521 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.650 11.908 0.797 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.995 11.983 2.450 1.00 0.00 H new ATOM 206 N LYS A 47 0.535 8.846 0.769 1.00 0.00 N ATOM 207 CA LYS A 47 0.990 7.466 0.662 1.00 0.00 C ATOM 208 C LYS A 47 0.198 6.557 1.597 1.00 0.00 C ATOM 209 O LYS A 47 0.179 6.763 2.811 1.00 0.00 O ATOM 210 CB LYS A 47 2.483 7.373 0.987 1.00 0.00 C ATOM 211 CG LYS A 47 3.019 5.952 0.981 1.00 0.00 C ATOM 212 CD LYS A 47 4.522 5.924 0.759 1.00 0.00 C ATOM 213 CE LYS A 47 5.282 5.991 2.075 1.00 0.00 C ATOM 214 NZ LYS A 47 5.390 7.387 2.582 1.00 0.00 N ATOM 0 H LYS A 47 0.892 9.345 1.584 1.00 0.00 H new ATOM 0 HA LYS A 47 0.826 7.134 -0.363 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.042 7.966 0.263 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.661 7.816 1.967 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.781 5.468 1.928 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.524 5.379 0.197 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.795 5.013 0.226 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.813 6.763 0.127 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.778 5.373 2.818 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.281 5.575 1.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.193 7.457 3.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.539 8.036 1.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.513 7.645 3.078 1.00 0.00 H new ATOM 228 N LEU A 48 -0.453 5.551 1.024 1.00 0.00 N ATOM 229 CA LEU A 48 -1.246 4.609 1.807 1.00 0.00 C ATOM 230 C LEU A 48 -0.400 3.418 2.246 1.00 0.00 C ATOM 231 O LEU A 48 0.375 2.871 1.462 1.00 0.00 O ATOM 232 CB LEU A 48 -2.447 4.124 0.993 1.00 0.00 C ATOM 233 CG LEU A 48 -3.577 5.134 0.796 1.00 0.00 C ATOM 234 CD1 LEU A 48 -4.791 4.463 0.171 1.00 0.00 C ATOM 235 CD2 LEU A 48 -3.949 5.784 2.121 1.00 0.00 C ATOM 0 H LEU A 48 -0.448 5.366 0.021 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.603 5.125 2.698 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.092 3.810 0.011 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.858 3.240 1.481 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.228 5.912 0.117 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.585 5.198 0.039 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.517 4.046 -0.798 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.142 3.664 0.824 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.755 6.500 1.961 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.278 5.017 2.823 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.080 6.301 2.529 1.00 0.00 H new ATOM 247 N PHE A 49 -0.556 3.021 3.505 1.00 0.00 N ATOM 248 CA PHE A 49 0.193 1.894 4.048 1.00 0.00 C ATOM 249 C PHE A 49 -0.750 0.783 4.501 1.00 0.00 C ATOM 250 O PHE A 49 -1.562 0.973 5.407 1.00 0.00 O ATOM 251 CB PHE A 49 1.062 2.351 5.222 1.00 0.00 C ATOM 252 CG PHE A 49 1.324 1.269 6.231 1.00 0.00 C ATOM 253 CD1 PHE A 49 2.227 0.254 5.960 1.00 0.00 C ATOM 254 CD2 PHE A 49 0.666 1.267 7.450 1.00 0.00 C ATOM 255 CE1 PHE A 49 2.469 -0.743 6.886 1.00 0.00 C ATOM 256 CE2 PHE A 49 0.904 0.273 8.381 1.00 0.00 C ATOM 257 CZ PHE A 49 1.808 -0.732 8.098 1.00 0.00 C ATOM 0 H PHE A 49 -1.194 3.463 4.167 1.00 0.00 H new ATOM 0 HA PHE A 49 0.836 1.502 3.260 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.014 2.717 4.838 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.575 3.190 5.719 1.00 0.00 H new ATOM 0 HD1 PHE A 49 2.748 0.242 5.014 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.041 2.051 7.676 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.174 -1.530 6.662 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.384 0.282 9.328 1.00 0.00 H new ATOM 0 HZ PHE A 49 1.998 -1.509 8.824 1.00 0.00 H new ATOM 267 N VAL A 50 -0.636 -0.378 3.864 1.00 0.00 N ATOM 268 CA VAL A 50 -1.476 -1.521 4.201 1.00 0.00 C ATOM 269 C VAL A 50 -0.753 -2.477 5.143 1.00 0.00 C ATOM 270 O VAL A 50 0.415 -2.804 4.936 1.00 0.00 O ATOM 271 CB VAL A 50 -1.909 -2.291 2.939 1.00 0.00 C ATOM 272 CG1 VAL A 50 -2.847 -3.431 3.304 1.00 0.00 C ATOM 273 CG2 VAL A 50 -2.564 -1.349 1.940 1.00 0.00 C ATOM 0 H VAL A 50 0.030 -0.552 3.111 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.362 -1.126 4.699 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.022 -2.719 2.473 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.142 -3.963 2.400 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.338 -4.118 3.980 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.734 -3.030 3.794 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.864 -1.909 1.054 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.442 -0.891 2.394 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.856 -0.571 1.655 1.00 0.00 H new ATOM 283 N GLY A 51 -1.456 -2.922 6.180 1.00 0.00 N ATOM 284 CA GLY A 51 -0.864 -3.837 7.139 1.00 0.00 C ATOM 285 C GLY A 51 -1.683 -5.101 7.316 1.00 0.00 C ATOM 286 O GLY A 51 -1.691 -5.696 8.393 1.00 0.00 O ATOM 0 H GLY A 51 -2.424 -2.666 6.373 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.141 -4.102 6.811 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.763 -3.335 8.101 1.00 0.00 H new ATOM 290 N GLN A 52 -2.375 -5.508 6.257 1.00 0.00 N ATOM 291 CA GLN A 52 -3.203 -6.708 6.303 1.00 0.00 C ATOM 292 C GLN A 52 -2.932 -7.602 5.097 1.00 0.00 C ATOM 293 O GLN A 52 -3.858 -8.147 4.495 1.00 0.00 O ATOM 294 CB GLN A 52 -4.685 -6.329 6.348 1.00 0.00 C ATOM 295 CG GLN A 52 -5.598 -7.489 6.710 1.00 0.00 C ATOM 296 CD GLN A 52 -5.725 -7.687 8.207 1.00 0.00 C ATOM 297 OE1 GLN A 52 -6.010 -6.607 8.926 1.00 0.00 O flip ATOM 298 NE2 GLN A 52 -5.569 -8.799 8.714 1.00 0.00 N flip ATOM 0 H GLN A 52 -2.379 -5.026 5.358 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.948 -7.261 7.207 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.825 -5.527 7.073 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -4.980 -5.934 5.376 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -6.587 -7.314 6.285 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -5.214 -8.403 6.258 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.351 -9.602 8.124 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.658 -8.916 9.723 1.00 0.00 H new ATOM 307 N ILE A 53 -1.658 -7.749 4.751 1.00 0.00 N ATOM 308 CA ILE A 53 -1.265 -8.578 3.618 1.00 0.00 C ATOM 309 C ILE A 53 -0.766 -9.942 4.082 1.00 0.00 C ATOM 310 O ILE A 53 0.272 -10.062 4.733 1.00 0.00 O ATOM 311 CB ILE A 53 -0.167 -7.900 2.778 1.00 0.00 C ATOM 312 CG1 ILE A 53 -0.560 -6.457 2.454 1.00 0.00 C ATOM 313 CG2 ILE A 53 0.084 -8.687 1.500 1.00 0.00 C ATOM 314 CD1 ILE A 53 0.606 -5.596 2.023 1.00 0.00 C ATOM 0 H ILE A 53 -0.880 -7.305 5.239 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.153 -8.710 3.000 1.00 0.00 H new ATOM 0 HB ILE A 53 0.756 -7.883 3.358 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.310 -6.462 1.663 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.026 -6.010 3.332 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.863 -8.195 0.917 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.403 -9.698 1.752 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.834 -8.732 0.914 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.254 -4.587 1.810 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.347 -5.560 2.822 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.059 -6.019 1.127 1.00 0.00 H new ATOM 326 N PRO A 54 -1.519 -10.997 3.738 1.00 0.00 N ATOM 327 CA PRO A 54 -1.172 -12.372 4.106 1.00 0.00 C ATOM 328 C PRO A 54 0.055 -12.881 3.357 1.00 0.00 C ATOM 329 O PRO A 54 0.764 -12.108 2.712 1.00 0.00 O ATOM 330 CB PRO A 54 -2.413 -13.172 3.704 1.00 0.00 C ATOM 331 CG PRO A 54 -3.050 -12.366 2.625 1.00 0.00 C ATOM 332 CD PRO A 54 -2.769 -10.928 2.962 1.00 0.00 C ATOM 0 HA PRO A 54 -0.916 -12.458 5.162 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -2.145 -14.167 3.349 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.088 -13.306 4.549 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -2.639 -12.626 1.649 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.123 -12.554 2.579 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.652 -10.321 2.065 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.579 -10.486 3.543 1.00 0.00 H new ATOM 340 N ARG A 55 0.300 -14.184 3.447 1.00 0.00 N ATOM 341 CA ARG A 55 1.442 -14.795 2.778 1.00 0.00 C ATOM 342 C ARG A 55 0.998 -15.563 1.537 1.00 0.00 C ATOM 343 O ARG A 55 0.229 -16.519 1.628 1.00 0.00 O ATOM 344 CB ARG A 55 2.179 -15.733 3.735 1.00 0.00 C ATOM 345 CG ARG A 55 2.998 -15.007 4.790 1.00 0.00 C ATOM 346 CD ARG A 55 2.120 -14.501 5.925 1.00 0.00 C ATOM 347 NE ARG A 55 1.435 -15.591 6.615 1.00 0.00 N ATOM 348 CZ ARG A 55 2.024 -16.384 7.503 1.00 0.00 C ATOM 349 NH1 ARG A 55 3.303 -16.209 7.807 1.00 0.00 N ATOM 350 NH2 ARG A 55 1.334 -17.354 8.089 1.00 0.00 N ATOM 0 H ARG A 55 -0.277 -14.837 3.977 1.00 0.00 H new ATOM 0 HA ARG A 55 2.119 -13.998 2.468 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.452 -16.377 4.231 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.838 -16.382 3.158 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.758 -15.679 5.188 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.522 -14.168 4.332 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.732 -13.949 6.638 1.00 0.00 H new ATOM 0 HD3 ARG A 55 1.383 -13.802 5.529 1.00 0.00 H new ATOM 0 HE ARG A 55 0.450 -15.752 6.403 1.00 0.00 H new ATOM 0 HH11 ARG A 55 3.836 -15.464 7.359 1.00 0.00 H new ATOM 0 HH12 ARG A 55 3.753 -16.819 8.489 1.00 0.00 H new ATOM 0 HH21 ARG A 55 0.350 -17.491 7.858 1.00 0.00 H new ATOM 0 HH22 ARG A 55 1.787 -17.962 8.771 1.00 0.00 H new ATOM 364 N GLY A 56 1.489 -15.138 0.376 1.00 0.00 N ATOM 365 CA GLY A 56 1.131 -15.796 -0.866 1.00 0.00 C ATOM 366 C GLY A 56 0.766 -14.812 -1.960 1.00 0.00 C ATOM 367 O GLY A 56 0.743 -15.164 -3.140 1.00 0.00 O ATOM 0 H GLY A 56 2.128 -14.350 0.274 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.965 -16.413 -1.200 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.290 -16.466 -0.689 1.00 0.00 H new ATOM 371 N LEU A 57 0.477 -13.576 -1.568 1.00 0.00 N ATOM 372 CA LEU A 57 0.109 -12.537 -2.524 1.00 0.00 C ATOM 373 C LEU A 57 1.284 -11.602 -2.791 1.00 0.00 C ATOM 374 O LEU A 57 2.258 -11.581 -2.038 1.00 0.00 O ATOM 375 CB LEU A 57 -1.086 -11.737 -2.003 1.00 0.00 C ATOM 376 CG LEU A 57 -2.322 -12.551 -1.619 1.00 0.00 C ATOM 377 CD1 LEU A 57 -3.398 -11.645 -1.039 1.00 0.00 C ATOM 378 CD2 LEU A 57 -2.855 -13.311 -2.824 1.00 0.00 C ATOM 0 H LEU A 57 0.490 -13.269 -0.595 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.167 -13.021 -3.461 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.765 -11.168 -1.130 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.374 -11.014 -2.766 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.035 -13.275 -0.856 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.270 -12.241 -0.771 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.013 -11.146 -0.150 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.683 -10.898 -1.780 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.735 -13.885 -2.532 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.126 -12.605 -3.609 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.087 -13.989 -3.196 1.00 0.00 H new ATOM 390 N ASP A 58 1.185 -10.828 -3.867 1.00 0.00 N ATOM 391 CA ASP A 58 2.238 -9.888 -4.232 1.00 0.00 C ATOM 392 C ASP A 58 1.645 -8.585 -4.759 1.00 0.00 C ATOM 393 O ASP A 58 0.427 -8.407 -4.770 1.00 0.00 O ATOM 394 CB ASP A 58 3.161 -10.505 -5.284 1.00 0.00 C ATOM 395 CG ASP A 58 3.527 -11.941 -4.962 1.00 0.00 C ATOM 396 OD1 ASP A 58 2.745 -12.847 -5.319 1.00 0.00 O ATOM 397 OD2 ASP A 58 4.595 -12.158 -4.353 1.00 0.00 O ATOM 0 H ASP A 58 0.386 -10.833 -4.501 1.00 0.00 H new ATOM 0 HA ASP A 58 2.818 -9.666 -3.337 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.673 -10.467 -6.258 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.071 -9.909 -5.359 1.00 0.00 H new ATOM 402 N GLU A 59 2.514 -7.678 -5.195 1.00 0.00 N ATOM 403 CA GLU A 59 2.074 -6.392 -5.722 1.00 0.00 C ATOM 404 C GLU A 59 1.169 -6.582 -6.936 1.00 0.00 C ATOM 405 O GLU A 59 0.422 -5.679 -7.313 1.00 0.00 O ATOM 406 CB GLU A 59 3.282 -5.532 -6.102 1.00 0.00 C ATOM 407 CG GLU A 59 4.252 -5.305 -4.956 1.00 0.00 C ATOM 408 CD GLU A 59 5.664 -5.028 -5.433 1.00 0.00 C ATOM 409 OE1 GLU A 59 5.818 -4.373 -6.485 1.00 0.00 O ATOM 410 OE2 GLU A 59 6.616 -5.465 -4.753 1.00 0.00 O ATOM 0 H GLU A 59 3.525 -7.810 -5.194 1.00 0.00 H new ATOM 0 HA GLU A 59 1.505 -5.884 -4.943 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.812 -6.009 -6.926 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.930 -4.567 -6.466 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.905 -4.466 -4.352 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.257 -6.183 -4.310 1.00 0.00 H new ATOM 417 N GLN A 60 1.243 -7.762 -7.543 1.00 0.00 N ATOM 418 CA GLN A 60 0.431 -8.069 -8.715 1.00 0.00 C ATOM 419 C GLN A 60 -0.970 -8.510 -8.306 1.00 0.00 C ATOM 420 O GLN A 60 -1.858 -8.651 -9.148 1.00 0.00 O ATOM 421 CB GLN A 60 1.099 -9.162 -9.551 1.00 0.00 C ATOM 422 CG GLN A 60 2.273 -8.664 -10.378 1.00 0.00 C ATOM 423 CD GLN A 60 2.848 -9.737 -11.282 1.00 0.00 C ATOM 424 OE1 GLN A 60 2.115 -10.419 -11.999 1.00 0.00 O ATOM 425 NE2 GLN A 60 4.166 -9.893 -11.252 1.00 0.00 N ATOM 0 H GLN A 60 1.856 -8.520 -7.243 1.00 0.00 H new ATOM 0 HA GLN A 60 0.346 -7.163 -9.315 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.443 -9.956 -8.888 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.357 -9.603 -10.217 1.00 0.00 H new ATOM 0 HG2 GLN A 60 1.952 -7.817 -10.985 1.00 0.00 H new ATOM 0 HG3 GLN A 60 3.054 -8.300 -9.711 1.00 0.00 H new ATOM 0 HE21 GLN A 60 4.735 -9.306 -10.643 1.00 0.00 H new ATOM 0 HE22 GLN A 60 4.609 -10.600 -11.838 1.00 0.00 H new ATOM 434 N ASP A 61 -1.162 -8.727 -7.010 1.00 0.00 N ATOM 435 CA ASP A 61 -2.456 -9.152 -6.488 1.00 0.00 C ATOM 436 C ASP A 61 -3.141 -8.012 -5.741 1.00 0.00 C ATOM 437 O ASP A 61 -4.352 -8.042 -5.516 1.00 0.00 O ATOM 438 CB ASP A 61 -2.286 -10.357 -5.562 1.00 0.00 C ATOM 439 CG ASP A 61 -1.678 -11.551 -6.270 1.00 0.00 C ATOM 440 OD1 ASP A 61 -0.485 -11.481 -6.634 1.00 0.00 O ATOM 441 OD2 ASP A 61 -2.394 -12.555 -6.461 1.00 0.00 O ATOM 0 H ASP A 61 -0.438 -8.616 -6.301 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.084 -9.439 -7.331 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.654 -10.077 -4.719 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.257 -10.637 -5.153 1.00 0.00 H new ATOM 446 N LEU A 62 -2.359 -7.009 -5.357 1.00 0.00 N ATOM 447 CA LEU A 62 -2.890 -5.859 -4.633 1.00 0.00 C ATOM 448 C LEU A 62 -3.194 -4.708 -5.587 1.00 0.00 C ATOM 449 O LEU A 62 -3.955 -3.798 -5.257 1.00 0.00 O ATOM 450 CB LEU A 62 -1.896 -5.401 -3.564 1.00 0.00 C ATOM 451 CG LEU A 62 -1.575 -6.417 -2.468 1.00 0.00 C ATOM 452 CD1 LEU A 62 -0.418 -5.929 -1.610 1.00 0.00 C ATOM 453 CD2 LEU A 62 -2.803 -6.681 -1.609 1.00 0.00 C ATOM 0 H LEU A 62 -1.355 -6.969 -5.535 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.819 -6.162 -4.151 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.965 -5.122 -4.058 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.289 -4.500 -3.093 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.280 -7.353 -2.942 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.204 -6.665 -0.835 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.465 -5.792 -2.234 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.685 -4.980 -1.145 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.556 -7.407 -0.834 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.129 -5.750 -1.144 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.605 -7.075 -2.233 1.00 0.00 H new ATOM 465 N LYS A 63 -2.596 -4.756 -6.773 1.00 0.00 N ATOM 466 CA LYS A 63 -2.805 -3.720 -7.778 1.00 0.00 C ATOM 467 C LYS A 63 -4.260 -3.688 -8.233 1.00 0.00 C ATOM 468 O LYS A 63 -4.877 -2.629 -8.347 1.00 0.00 O ATOM 469 CB LYS A 63 -1.888 -3.955 -8.980 1.00 0.00 C ATOM 470 CG LYS A 63 -1.445 -2.675 -9.667 1.00 0.00 C ATOM 471 CD LYS A 63 -0.702 -2.964 -10.960 1.00 0.00 C ATOM 472 CE LYS A 63 -0.420 -1.688 -11.739 1.00 0.00 C ATOM 473 NZ LYS A 63 0.815 -1.008 -11.260 1.00 0.00 N ATOM 0 H LYS A 63 -1.963 -5.502 -7.062 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.563 -2.757 -7.327 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.006 -4.505 -8.651 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.405 -4.585 -9.703 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.316 -2.054 -9.878 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.802 -2.105 -8.996 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.237 -3.470 -10.736 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.291 -3.644 -11.575 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.317 -1.924 -12.798 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.268 -1.010 -11.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.973 -0.143 -11.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.707 -0.760 -10.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.629 -1.646 -11.374 1.00 0.00 H new ATOM 487 N PRO A 64 -4.824 -4.876 -8.498 1.00 0.00 N ATOM 488 CA PRO A 64 -6.214 -5.011 -8.943 1.00 0.00 C ATOM 489 C PRO A 64 -7.179 -4.201 -8.083 1.00 0.00 C ATOM 490 O PRO A 64 -7.994 -3.436 -8.600 1.00 0.00 O ATOM 491 CB PRO A 64 -6.492 -6.508 -8.791 1.00 0.00 C ATOM 492 CG PRO A 64 -5.155 -7.155 -8.910 1.00 0.00 C ATOM 493 CD PRO A 64 -4.148 -6.179 -8.383 1.00 0.00 C ATOM 0 HA PRO A 64 -6.355 -4.638 -9.958 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.955 -6.729 -7.829 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.174 -6.864 -9.563 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.125 -8.085 -8.342 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.940 -7.408 -9.948 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.880 -6.400 -7.350 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.226 -6.203 -8.964 1.00 0.00 H new ATOM 501 N LEU A 65 -7.081 -4.373 -6.770 1.00 0.00 N ATOM 502 CA LEU A 65 -7.945 -3.657 -5.837 1.00 0.00 C ATOM 503 C LEU A 65 -7.655 -2.160 -5.866 1.00 0.00 C ATOM 504 O LEU A 65 -8.567 -1.342 -5.983 1.00 0.00 O ATOM 505 CB LEU A 65 -7.757 -4.198 -4.419 1.00 0.00 C ATOM 506 CG LEU A 65 -8.095 -5.675 -4.213 1.00 0.00 C ATOM 507 CD1 LEU A 65 -7.787 -6.099 -2.786 1.00 0.00 C ATOM 508 CD2 LEU A 65 -9.555 -5.939 -4.548 1.00 0.00 C ATOM 0 H LEU A 65 -6.412 -5.002 -6.326 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.979 -3.814 -6.144 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.719 -4.039 -4.126 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -8.374 -3.607 -3.742 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.476 -6.268 -4.887 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.034 -7.153 -2.658 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.727 -5.947 -2.582 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.379 -5.501 -2.093 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.778 -6.995 -4.396 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.192 -5.337 -3.900 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.743 -5.675 -5.589 1.00 0.00 H new ATOM 520 N PHE A 66 -6.377 -1.808 -5.761 1.00 0.00 N ATOM 521 CA PHE A 66 -5.966 -0.409 -5.775 1.00 0.00 C ATOM 522 C PHE A 66 -6.286 0.238 -7.120 1.00 0.00 C ATOM 523 O PHE A 66 -6.413 1.458 -7.218 1.00 0.00 O ATOM 524 CB PHE A 66 -4.468 -0.293 -5.485 1.00 0.00 C ATOM 525 CG PHE A 66 -4.055 -0.946 -4.197 1.00 0.00 C ATOM 526 CD1 PHE A 66 -4.902 -0.944 -3.101 1.00 0.00 C ATOM 527 CD2 PHE A 66 -2.820 -1.564 -4.084 1.00 0.00 C ATOM 528 CE1 PHE A 66 -4.523 -1.544 -1.914 1.00 0.00 C ATOM 529 CE2 PHE A 66 -2.436 -2.166 -2.900 1.00 0.00 C ATOM 530 CZ PHE A 66 -3.290 -2.156 -1.814 1.00 0.00 C ATOM 0 H PHE A 66 -5.609 -2.472 -5.665 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.522 0.115 -4.997 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.911 -0.743 -6.307 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.193 0.761 -5.453 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.869 -0.469 -3.174 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.150 -1.576 -4.931 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.191 -1.534 -1.066 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.470 -2.643 -2.824 1.00 0.00 H new ATOM 0 HZ PHE A 66 -2.993 -2.626 -0.888 1.00 0.00 H new ATOM 540 N GLU A 67 -6.416 -0.590 -8.152 1.00 0.00 N ATOM 541 CA GLU A 67 -6.720 -0.098 -9.491 1.00 0.00 C ATOM 542 C GLU A 67 -8.218 0.138 -9.656 1.00 0.00 C ATOM 543 O GLU A 67 -8.677 0.557 -10.718 1.00 0.00 O ATOM 544 CB GLU A 67 -6.229 -1.091 -10.547 1.00 0.00 C ATOM 545 CG GLU A 67 -4.801 -0.841 -11.000 1.00 0.00 C ATOM 546 CD GLU A 67 -4.495 -1.477 -12.343 1.00 0.00 C ATOM 547 OE1 GLU A 67 -4.224 -2.695 -12.373 1.00 0.00 O ATOM 548 OE2 GLU A 67 -4.528 -0.756 -13.362 1.00 0.00 O ATOM 0 H GLU A 67 -6.316 -1.603 -8.087 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.203 0.852 -9.628 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.302 -2.102 -10.145 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.889 -1.044 -11.413 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.626 0.233 -11.063 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.112 -1.233 -10.251 1.00 0.00 H new ATOM 555 N GLU A 68 -8.975 -0.135 -8.598 1.00 0.00 N ATOM 556 CA GLU A 68 -10.421 0.046 -8.626 1.00 0.00 C ATOM 557 C GLU A 68 -10.801 1.461 -8.197 1.00 0.00 C ATOM 558 O GLU A 68 -11.909 1.926 -8.464 1.00 0.00 O ATOM 559 CB GLU A 68 -11.104 -0.975 -7.715 1.00 0.00 C ATOM 560 CG GLU A 68 -10.921 -2.414 -8.168 1.00 0.00 C ATOM 561 CD GLU A 68 -12.010 -3.332 -7.649 1.00 0.00 C ATOM 562 OE1 GLU A 68 -12.150 -3.446 -6.413 1.00 0.00 O ATOM 563 OE2 GLU A 68 -12.722 -3.937 -8.477 1.00 0.00 O ATOM 0 H GLU A 68 -8.611 -0.482 -7.711 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.760 -0.108 -9.650 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.710 -0.868 -6.704 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -12.170 -0.751 -7.667 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.910 -2.449 -9.257 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.952 -2.778 -7.827 1.00 0.00 H new ATOM 570 N PHE A 69 -9.874 2.139 -7.530 1.00 0.00 N ATOM 571 CA PHE A 69 -10.110 3.500 -7.062 1.00 0.00 C ATOM 572 C PHE A 69 -9.448 4.516 -7.988 1.00 0.00 C ATOM 573 O PHE A 69 -10.035 5.545 -8.319 1.00 0.00 O ATOM 574 CB PHE A 69 -9.582 3.671 -5.637 1.00 0.00 C ATOM 575 CG PHE A 69 -10.193 2.714 -4.652 1.00 0.00 C ATOM 576 CD1 PHE A 69 -11.418 2.990 -4.067 1.00 0.00 C ATOM 577 CD2 PHE A 69 -9.542 1.539 -4.313 1.00 0.00 C ATOM 578 CE1 PHE A 69 -11.981 2.112 -3.160 1.00 0.00 C ATOM 579 CE2 PHE A 69 -10.100 0.657 -3.407 1.00 0.00 C ATOM 580 CZ PHE A 69 -11.322 0.944 -2.831 1.00 0.00 C ATOM 0 H PHE A 69 -8.952 1.768 -7.301 1.00 0.00 H new ATOM 0 HA PHE A 69 -11.185 3.678 -7.067 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.500 3.535 -5.640 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -9.774 4.692 -5.307 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -11.939 3.901 -4.322 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.587 1.309 -4.762 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -12.936 2.339 -2.709 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -9.581 -0.255 -3.150 1.00 0.00 H new ATOM 0 HZ PHE A 69 -11.762 0.256 -2.124 1.00 0.00 H new ATOM 590 N GLY A 70 -8.219 4.219 -8.400 1.00 0.00 N ATOM 591 CA GLY A 70 -7.496 5.116 -9.282 1.00 0.00 C ATOM 592 C GLY A 70 -6.171 4.538 -9.737 1.00 0.00 C ATOM 593 O GLY A 70 -5.820 3.414 -9.378 1.00 0.00 O ATOM 0 H GLY A 70 -7.712 3.374 -8.139 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -8.111 5.337 -10.154 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -7.319 6.061 -8.769 1.00 0.00 H new ATOM 597 N ARG A 71 -5.433 5.307 -10.532 1.00 0.00 N ATOM 598 CA ARG A 71 -4.140 4.863 -11.039 1.00 0.00 C ATOM 599 C ARG A 71 -3.095 4.850 -9.927 1.00 0.00 C ATOM 600 O ARG A 71 -2.998 5.794 -9.142 1.00 0.00 O ATOM 601 CB ARG A 71 -3.676 5.772 -12.179 1.00 0.00 C ATOM 602 CG ARG A 71 -2.589 5.157 -13.044 1.00 0.00 C ATOM 603 CD ARG A 71 -3.179 4.332 -14.177 1.00 0.00 C ATOM 604 NE ARG A 71 -2.149 3.830 -15.083 1.00 0.00 N ATOM 605 CZ ARG A 71 -1.297 2.862 -14.763 1.00 0.00 C ATOM 606 NH1 ARG A 71 -1.353 2.295 -13.566 1.00 0.00 N ATOM 607 NH2 ARG A 71 -0.388 2.460 -15.641 1.00 0.00 N ATOM 0 H ARG A 71 -5.709 6.240 -10.839 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.256 3.847 -11.417 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.532 6.019 -12.807 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -3.308 6.708 -11.759 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -1.960 5.946 -13.456 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.947 4.526 -12.429 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -3.737 3.493 -13.762 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -3.889 4.941 -14.737 1.00 0.00 H new ATOM 0 HE ARG A 71 -2.080 4.245 -16.012 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -2.051 2.602 -12.889 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -0.698 1.552 -13.322 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.342 2.894 -16.563 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.266 1.717 -15.394 1.00 0.00 H new ATOM 621 N ILE A 72 -2.318 3.774 -9.866 1.00 0.00 N ATOM 622 CA ILE A 72 -1.280 3.639 -8.851 1.00 0.00 C ATOM 623 C ILE A 72 -0.018 4.394 -9.251 1.00 0.00 C ATOM 624 O ILE A 72 0.193 4.693 -10.427 1.00 0.00 O ATOM 625 CB ILE A 72 -0.925 2.161 -8.603 1.00 0.00 C ATOM 626 CG1 ILE A 72 -2.131 1.412 -8.033 1.00 0.00 C ATOM 627 CG2 ILE A 72 0.266 2.053 -7.662 1.00 0.00 C ATOM 628 CD1 ILE A 72 -2.040 -0.089 -8.191 1.00 0.00 C ATOM 0 H ILE A 72 -2.387 2.983 -10.507 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.680 4.067 -7.932 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.654 1.703 -9.555 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.231 1.652 -6.974 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.036 1.767 -8.527 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.505 1.002 -7.496 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.126 2.555 -8.105 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.021 2.524 -6.710 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.929 -0.554 -7.765 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.971 -0.340 -9.250 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.154 -0.456 -7.673 1.00 0.00 H new ATOM 640 N TYR A 73 0.820 4.698 -8.266 1.00 0.00 N ATOM 641 CA TYR A 73 2.063 5.419 -8.515 1.00 0.00 C ATOM 642 C TYR A 73 3.273 4.541 -8.210 1.00 0.00 C ATOM 643 O TYR A 73 4.280 4.587 -8.915 1.00 0.00 O ATOM 644 CB TYR A 73 2.117 6.692 -7.669 1.00 0.00 C ATOM 645 CG TYR A 73 3.301 7.579 -7.984 1.00 0.00 C ATOM 646 CD1 TYR A 73 4.597 7.165 -7.702 1.00 0.00 C ATOM 647 CD2 TYR A 73 3.123 8.830 -8.562 1.00 0.00 C ATOM 648 CE1 TYR A 73 5.682 7.972 -7.987 1.00 0.00 C ATOM 649 CE2 TYR A 73 4.202 9.642 -8.852 1.00 0.00 C ATOM 650 CZ TYR A 73 5.479 9.209 -8.562 1.00 0.00 C ATOM 651 OH TYR A 73 6.556 10.016 -8.848 1.00 0.00 O ATOM 0 H TYR A 73 0.661 4.456 -7.288 1.00 0.00 H new ATOM 0 HA TYR A 73 2.090 5.690 -9.570 1.00 0.00 H new ATOM 0 HB2 TYR A 73 1.198 7.259 -7.821 1.00 0.00 H new ATOM 0 HB3 TYR A 73 2.150 6.417 -6.615 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.759 6.196 -7.253 1.00 0.00 H new ATOM 0 HD2 TYR A 73 2.124 9.173 -8.788 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.683 7.636 -7.761 1.00 0.00 H new ATOM 0 HE2 TYR A 73 4.047 10.611 -9.303 1.00 0.00 H new ATOM 0 HH TYR A 73 6.569 10.216 -9.807 1.00 0.00 H new ATOM 661 N GLU A 74 3.164 3.741 -7.154 1.00 0.00 N ATOM 662 CA GLU A 74 4.248 2.852 -6.755 1.00 0.00 C ATOM 663 C GLU A 74 3.778 1.863 -5.691 1.00 0.00 C ATOM 664 O GLU A 74 3.225 2.256 -4.663 1.00 0.00 O ATOM 665 CB GLU A 74 5.433 3.662 -6.225 1.00 0.00 C ATOM 666 CG GLU A 74 6.619 2.807 -5.810 1.00 0.00 C ATOM 667 CD GLU A 74 7.508 3.497 -4.793 1.00 0.00 C ATOM 668 OE1 GLU A 74 8.337 4.336 -5.202 1.00 0.00 O ATOM 669 OE2 GLU A 74 7.374 3.197 -3.588 1.00 0.00 O ATOM 0 H GLU A 74 2.336 3.691 -6.560 1.00 0.00 H new ATOM 0 HA GLU A 74 4.564 2.291 -7.634 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.754 4.365 -6.993 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.105 4.253 -5.370 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.257 1.868 -5.392 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.208 2.557 -6.692 1.00 0.00 H new ATOM 676 N LEU A 75 4.001 0.579 -5.947 1.00 0.00 N ATOM 677 CA LEU A 75 3.601 -0.468 -5.013 1.00 0.00 C ATOM 678 C LEU A 75 4.797 -1.323 -4.607 1.00 0.00 C ATOM 679 O LEU A 75 5.448 -1.941 -5.450 1.00 0.00 O ATOM 680 CB LEU A 75 2.518 -1.349 -5.638 1.00 0.00 C ATOM 681 CG LEU A 75 1.782 -2.288 -4.681 1.00 0.00 C ATOM 682 CD1 LEU A 75 1.364 -1.547 -3.421 1.00 0.00 C ATOM 683 CD2 LEU A 75 0.571 -2.905 -5.366 1.00 0.00 C ATOM 0 H LEU A 75 4.457 0.238 -6.793 1.00 0.00 H new ATOM 0 HA LEU A 75 3.201 0.010 -4.119 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.783 -0.702 -6.117 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.975 -1.949 -6.424 1.00 0.00 H new ATOM 0 HG LEU A 75 2.462 -3.091 -4.396 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.842 -2.232 -2.753 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.249 -1.154 -2.920 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.701 -0.723 -3.686 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.059 -3.570 -4.671 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.111 -2.115 -5.681 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.896 -3.472 -6.238 1.00 0.00 H new ATOM 695 N THR A 76 5.081 -1.356 -3.308 1.00 0.00 N ATOM 696 CA THR A 76 6.198 -2.135 -2.790 1.00 0.00 C ATOM 697 C THR A 76 5.797 -2.903 -1.535 1.00 0.00 C ATOM 698 O THR A 76 5.088 -2.380 -0.675 1.00 0.00 O ATOM 699 CB THR A 76 7.407 -1.238 -2.465 1.00 0.00 C ATOM 700 OG1 THR A 76 8.043 -0.816 -3.676 1.00 0.00 O ATOM 701 CG2 THR A 76 8.409 -1.976 -1.590 1.00 0.00 C ATOM 0 H THR A 76 4.552 -0.852 -2.596 1.00 0.00 H new ATOM 0 HA THR A 76 6.480 -2.841 -3.571 1.00 0.00 H new ATOM 0 HB THR A 76 7.048 -0.365 -1.921 1.00 0.00 H new ATOM 0 HG1 THR A 76 8.810 -0.245 -3.461 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.254 -1.322 -1.374 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.930 -2.270 -0.656 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.762 -2.865 -2.112 1.00 0.00 H new ATOM 709 N VAL A 77 6.256 -4.146 -1.436 1.00 0.00 N ATOM 710 CA VAL A 77 5.947 -4.985 -0.284 1.00 0.00 C ATOM 711 C VAL A 77 7.078 -4.955 0.738 1.00 0.00 C ATOM 712 O VAL A 77 8.253 -5.057 0.382 1.00 0.00 O ATOM 713 CB VAL A 77 5.689 -6.444 -0.706 1.00 0.00 C ATOM 714 CG1 VAL A 77 5.384 -7.306 0.510 1.00 0.00 C ATOM 715 CG2 VAL A 77 4.555 -6.514 -1.717 1.00 0.00 C ATOM 0 H VAL A 77 6.843 -4.595 -2.139 1.00 0.00 H new ATOM 0 HA VAL A 77 5.042 -4.580 0.169 1.00 0.00 H new ATOM 0 HB VAL A 77 6.591 -6.832 -1.179 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.205 -8.333 0.192 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.231 -7.281 1.195 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.497 -6.922 1.015 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.387 -7.552 -2.004 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.646 -6.108 -1.273 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.818 -5.932 -2.600 1.00 0.00 H new ATOM 725 N LEU A 78 6.716 -4.816 2.008 1.00 0.00 N ATOM 726 CA LEU A 78 7.701 -4.774 3.084 1.00 0.00 C ATOM 727 C LEU A 78 8.079 -6.182 3.532 1.00 0.00 C ATOM 728 O LEU A 78 7.213 -7.029 3.750 1.00 0.00 O ATOM 729 CB LEU A 78 7.155 -3.977 4.270 1.00 0.00 C ATOM 730 CG LEU A 78 6.950 -2.480 4.036 1.00 0.00 C ATOM 731 CD1 LEU A 78 6.000 -1.903 5.075 1.00 0.00 C ATOM 732 CD2 LEU A 78 8.283 -1.748 4.065 1.00 0.00 C ATOM 0 H LEU A 78 5.748 -4.730 2.319 1.00 0.00 H new ATOM 0 HA LEU A 78 8.597 -4.282 2.705 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.200 -4.412 4.566 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.837 -4.103 5.111 1.00 0.00 H new ATOM 0 HG LEU A 78 6.505 -2.343 3.050 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.866 -0.837 4.893 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.036 -2.407 5.006 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.417 -2.051 6.071 1.00 0.00 H new ATOM 0 HD21 LEU A 78 8.117 -0.684 3.897 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.756 -1.892 5.036 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.932 -2.142 3.283 1.00 0.00 H new ATOM 744 N LYS A 79 9.378 -6.424 3.670 1.00 0.00 N ATOM 745 CA LYS A 79 9.873 -7.728 4.096 1.00 0.00 C ATOM 746 C LYS A 79 10.977 -7.577 5.138 1.00 0.00 C ATOM 747 O LYS A 79 11.705 -6.584 5.145 1.00 0.00 O ATOM 748 CB LYS A 79 10.396 -8.516 2.893 1.00 0.00 C ATOM 749 CG LYS A 79 9.325 -8.841 1.866 1.00 0.00 C ATOM 750 CD LYS A 79 9.839 -9.804 0.809 1.00 0.00 C ATOM 751 CE LYS A 79 8.714 -10.304 -0.084 1.00 0.00 C ATOM 752 NZ LYS A 79 8.395 -9.335 -1.169 1.00 0.00 N ATOM 0 H LYS A 79 10.108 -5.734 3.493 1.00 0.00 H new ATOM 0 HA LYS A 79 9.044 -8.274 4.547 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.188 -7.943 2.411 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.844 -9.445 3.245 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.460 -9.277 2.366 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.987 -7.921 1.388 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.595 -9.308 0.200 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.325 -10.651 1.293 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.997 -11.261 -0.523 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.823 -10.481 0.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 7.624 -9.712 -1.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.101 -8.430 -0.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.238 -9.186 -1.760 1.00 0.00 H new ATOM 766 N ASP A 80 11.097 -8.569 6.013 1.00 0.00 N ATOM 767 CA ASP A 80 12.115 -8.548 7.058 1.00 0.00 C ATOM 768 C ASP A 80 13.513 -8.473 6.452 1.00 0.00 C ATOM 769 O ASP A 80 13.670 -8.428 5.232 1.00 0.00 O ATOM 770 CB ASP A 80 11.994 -9.789 7.942 1.00 0.00 C ATOM 771 CG ASP A 80 12.447 -9.532 9.366 1.00 0.00 C ATOM 772 OD1 ASP A 80 11.625 -9.050 10.173 1.00 0.00 O ATOM 773 OD2 ASP A 80 13.624 -9.814 9.674 1.00 0.00 O ATOM 0 H ASP A 80 10.502 -9.398 6.020 1.00 0.00 H new ATOM 0 HA ASP A 80 11.956 -7.660 7.669 1.00 0.00 H new ATOM 0 HB2 ASP A 80 10.958 -10.127 7.949 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.589 -10.596 7.514 1.00 0.00 H new ATOM 778 N ARG A 81 14.525 -8.460 7.314 1.00 0.00 N ATOM 779 CA ARG A 81 15.910 -8.389 6.864 1.00 0.00 C ATOM 780 C ARG A 81 16.671 -9.656 7.241 1.00 0.00 C ATOM 781 O ARG A 81 17.488 -10.157 6.468 1.00 0.00 O ATOM 782 CB ARG A 81 16.603 -7.166 7.469 1.00 0.00 C ATOM 783 CG ARG A 81 15.930 -5.849 7.119 1.00 0.00 C ATOM 784 CD ARG A 81 16.724 -4.662 7.641 1.00 0.00 C ATOM 785 NE ARG A 81 16.215 -3.394 7.124 1.00 0.00 N ATOM 786 CZ ARG A 81 16.770 -2.216 7.391 1.00 0.00 C ATOM 787 NH1 ARG A 81 17.845 -2.146 8.164 1.00 0.00 N ATOM 788 NH2 ARG A 81 16.249 -1.106 6.884 1.00 0.00 N ATOM 0 H ARG A 81 14.412 -8.498 8.327 1.00 0.00 H new ATOM 0 HA ARG A 81 15.908 -8.297 5.778 1.00 0.00 H new ATOM 0 HB2 ARG A 81 16.630 -7.274 8.553 1.00 0.00 H new ATOM 0 HB3 ARG A 81 17.637 -7.138 7.126 1.00 0.00 H new ATOM 0 HG2 ARG A 81 15.824 -5.770 6.037 1.00 0.00 H new ATOM 0 HG3 ARG A 81 14.925 -5.829 7.540 1.00 0.00 H new ATOM 0 HD2 ARG A 81 16.686 -4.651 8.730 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.771 -4.774 7.360 1.00 0.00 H new ATOM 0 HE ARG A 81 15.389 -3.414 6.526 1.00 0.00 H new ATOM 0 HH11 ARG A 81 18.248 -2.997 8.555 1.00 0.00 H new ATOM 0 HH12 ARG A 81 18.269 -1.241 8.367 1.00 0.00 H new ATOM 0 HH21 ARG A 81 15.422 -1.156 6.289 1.00 0.00 H new ATOM 0 HH22 ARG A 81 16.675 -0.202 7.089 1.00 0.00 H new ATOM 802 N LEU A 82 16.397 -10.171 8.435 1.00 0.00 N ATOM 803 CA LEU A 82 17.055 -11.380 8.917 1.00 0.00 C ATOM 804 C LEU A 82 16.456 -12.622 8.265 1.00 0.00 C ATOM 805 O LEU A 82 17.166 -13.580 7.956 1.00 0.00 O ATOM 806 CB LEU A 82 16.934 -11.479 10.438 1.00 0.00 C ATOM 807 CG LEU A 82 17.890 -10.601 11.246 1.00 0.00 C ATOM 808 CD1 LEU A 82 17.278 -10.243 12.591 1.00 0.00 C ATOM 809 CD2 LEU A 82 19.227 -11.304 11.437 1.00 0.00 C ATOM 0 H LEU A 82 15.723 -9.770 9.087 1.00 0.00 H new ATOM 0 HA LEU A 82 18.109 -11.323 8.647 1.00 0.00 H new ATOM 0 HB2 LEU A 82 15.912 -11.223 10.719 1.00 0.00 H new ATOM 0 HB3 LEU A 82 17.093 -12.517 10.728 1.00 0.00 H new ATOM 0 HG LEU A 82 18.062 -9.679 10.691 1.00 0.00 H new ATOM 0 HD11 LEU A 82 17.973 -9.618 13.152 1.00 0.00 H new ATOM 0 HD12 LEU A 82 16.346 -9.699 12.434 1.00 0.00 H new ATOM 0 HD13 LEU A 82 17.075 -11.155 13.153 1.00 0.00 H new ATOM 0 HD21 LEU A 82 19.895 -10.665 12.014 1.00 0.00 H new ATOM 0 HD22 LEU A 82 19.072 -12.242 11.970 1.00 0.00 H new ATOM 0 HD23 LEU A 82 19.672 -11.509 10.464 1.00 0.00 H new ATOM 821 N THR A 83 15.143 -12.600 8.057 1.00 0.00 N ATOM 822 CA THR A 83 14.447 -13.723 7.442 1.00 0.00 C ATOM 823 C THR A 83 14.009 -13.387 6.021 1.00 0.00 C ATOM 824 O THR A 83 13.634 -14.270 5.251 1.00 0.00 O ATOM 825 CB THR A 83 13.212 -14.138 8.263 1.00 0.00 C ATOM 826 OG1 THR A 83 12.388 -12.995 8.520 1.00 0.00 O ATOM 827 CG2 THR A 83 13.627 -14.776 9.580 1.00 0.00 C ATOM 0 H THR A 83 14.540 -11.816 8.306 1.00 0.00 H new ATOM 0 HA THR A 83 15.152 -14.554 7.415 1.00 0.00 H new ATOM 0 HB THR A 83 12.648 -14.870 7.685 1.00 0.00 H new ATOM 0 HG1 THR A 83 11.604 -13.267 9.041 1.00 0.00 H new ATOM 0 HG21 THR A 83 12.738 -15.061 10.142 1.00 0.00 H new ATOM 0 HG22 THR A 83 14.230 -15.662 9.381 1.00 0.00 H new ATOM 0 HG23 THR A 83 14.211 -14.063 10.162 1.00 0.00 H new ATOM 835 N GLY A 84 14.059 -12.103 5.680 1.00 0.00 N ATOM 836 CA GLY A 84 13.665 -11.673 4.351 1.00 0.00 C ATOM 837 C GLY A 84 12.335 -12.261 3.922 1.00 0.00 C ATOM 838 O GLY A 84 12.070 -12.409 2.728 1.00 0.00 O ATOM 0 H GLY A 84 14.365 -11.353 6.300 1.00 0.00 H new ATOM 0 HA2 GLY A 84 13.602 -10.585 4.328 1.00 0.00 H new ATOM 0 HA3 GLY A 84 14.435 -11.963 3.636 1.00 0.00 H new ATOM 842 N LEU A 85 11.498 -12.600 4.896 1.00 0.00 N ATOM 843 CA LEU A 85 10.189 -13.178 4.613 1.00 0.00 C ATOM 844 C LEU A 85 9.107 -12.104 4.619 1.00 0.00 C ATOM 845 O LEU A 85 9.292 -11.025 5.183 1.00 0.00 O ATOM 846 CB LEU A 85 9.855 -14.261 5.641 1.00 0.00 C ATOM 847 CG LEU A 85 10.473 -15.637 5.391 1.00 0.00 C ATOM 848 CD1 LEU A 85 10.398 -16.492 6.647 1.00 0.00 C ATOM 849 CD2 LEU A 85 9.777 -16.331 4.229 1.00 0.00 C ATOM 0 H LEU A 85 11.702 -12.485 5.889 1.00 0.00 H new ATOM 0 HA LEU A 85 10.224 -13.627 3.620 1.00 0.00 H new ATOM 0 HB2 LEU A 85 10.177 -13.913 6.623 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.772 -14.373 5.682 1.00 0.00 H new ATOM 0 HG LEU A 85 11.523 -15.501 5.131 1.00 0.00 H new ATOM 0 HD11 LEU A 85 10.843 -17.468 6.450 1.00 0.00 H new ATOM 0 HD12 LEU A 85 10.942 -16.001 7.454 1.00 0.00 H new ATOM 0 HD13 LEU A 85 9.355 -16.620 6.938 1.00 0.00 H new ATOM 0 HD21 LEU A 85 10.230 -17.309 4.065 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.719 -16.455 4.460 1.00 0.00 H new ATOM 0 HD23 LEU A 85 9.883 -15.727 3.328 1.00 0.00 H new ATOM 861 N HIS A 86 7.976 -12.407 3.990 1.00 0.00 N ATOM 862 CA HIS A 86 6.862 -11.468 3.925 1.00 0.00 C ATOM 863 C HIS A 86 6.327 -11.162 5.321 1.00 0.00 C ATOM 864 O HIS A 86 5.603 -11.965 5.910 1.00 0.00 O ATOM 865 CB HIS A 86 5.742 -12.031 3.050 1.00 0.00 C ATOM 866 CG HIS A 86 4.778 -10.991 2.567 1.00 0.00 C ATOM 867 ND1 HIS A 86 4.105 -10.138 3.415 1.00 0.00 N ATOM 868 CD2 HIS A 86 4.377 -10.669 1.315 1.00 0.00 C ATOM 869 CE1 HIS A 86 3.330 -9.337 2.707 1.00 0.00 C ATOM 870 NE2 HIS A 86 3.477 -9.638 1.429 1.00 0.00 N ATOM 0 H HIS A 86 7.807 -13.295 3.518 1.00 0.00 H new ATOM 0 HA HIS A 86 7.227 -10.541 3.483 1.00 0.00 H new ATOM 0 HB2 HIS A 86 6.183 -12.534 2.189 1.00 0.00 H new ATOM 0 HB3 HIS A 86 5.196 -12.786 3.615 1.00 0.00 H new ATOM 0 HD2 HIS A 86 4.704 -11.136 0.398 1.00 0.00 H new ATOM 0 HE1 HIS A 86 2.686 -8.567 3.105 1.00 0.00 H new ATOM 0 HE2 HIS A 86 3.000 -9.179 0.653 1.00 0.00 H new ATOM 879 N LYS A 87 6.689 -9.997 5.846 1.00 0.00 N ATOM 880 CA LYS A 87 6.246 -9.584 7.172 1.00 0.00 C ATOM 881 C LYS A 87 4.726 -9.472 7.228 1.00 0.00 C ATOM 882 O LYS A 87 4.103 -9.840 8.223 1.00 0.00 O ATOM 883 CB LYS A 87 6.881 -8.243 7.550 1.00 0.00 C ATOM 884 CG LYS A 87 8.399 -8.273 7.571 1.00 0.00 C ATOM 885 CD LYS A 87 8.978 -6.934 7.994 1.00 0.00 C ATOM 886 CE LYS A 87 8.331 -5.784 7.236 1.00 0.00 C ATOM 887 NZ LYS A 87 9.079 -4.509 7.421 1.00 0.00 N ATOM 0 H LYS A 87 7.289 -9.321 5.373 1.00 0.00 H new ATOM 0 HA LYS A 87 6.563 -10.344 7.886 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.551 -7.482 6.843 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.518 -7.943 8.533 1.00 0.00 H new ATOM 0 HG2 LYS A 87 8.739 -9.050 8.256 1.00 0.00 H new ATOM 0 HG3 LYS A 87 8.772 -8.535 6.581 1.00 0.00 H new ATOM 0 HD2 LYS A 87 8.831 -6.794 9.065 1.00 0.00 H new ATOM 0 HD3 LYS A 87 10.054 -6.929 7.817 1.00 0.00 H new ATOM 0 HE2 LYS A 87 8.286 -6.028 6.175 1.00 0.00 H new ATOM 0 HE3 LYS A 87 7.304 -5.656 7.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 8.481 -3.710 7.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 9.337 -4.400 8.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 9.942 -4.526 6.841 1.00 0.00 H new ATOM 901 N GLY A 88 4.134 -8.963 6.152 1.00 0.00 N ATOM 902 CA GLY A 88 2.692 -8.814 6.099 1.00 0.00 C ATOM 903 C GLY A 88 2.263 -7.367 5.953 1.00 0.00 C ATOM 904 O GLY A 88 1.307 -6.928 6.594 1.00 0.00 O ATOM 0 H GLY A 88 4.628 -8.651 5.316 1.00 0.00 H new ATOM 0 HA2 GLY A 88 2.301 -9.392 5.262 1.00 0.00 H new ATOM 0 HA3 GLY A 88 2.253 -9.230 7.006 1.00 0.00 H new ATOM 908 N CYS A 89 2.973 -6.623 5.111 1.00 0.00 N ATOM 909 CA CYS A 89 2.662 -5.216 4.886 1.00 0.00 C ATOM 910 C CYS A 89 3.272 -4.728 3.576 1.00 0.00 C ATOM 911 O CYS A 89 4.254 -5.289 3.090 1.00 0.00 O ATOM 912 CB CYS A 89 3.175 -4.367 6.049 1.00 0.00 C ATOM 913 SG CYS A 89 4.660 -5.023 6.845 1.00 0.00 S ATOM 0 H CYS A 89 3.767 -6.971 4.574 1.00 0.00 H new ATOM 0 HA CYS A 89 1.579 -5.114 4.822 1.00 0.00 H new ATOM 0 HB2 CYS A 89 3.385 -3.361 5.685 1.00 0.00 H new ATOM 0 HB3 CYS A 89 2.385 -4.278 6.795 1.00 0.00 H new ATOM 0 HG CYS A 89 5.017 -4.234 7.814 1.00 0.00 H new ATOM 919 N ALA A 90 2.682 -3.681 3.009 1.00 0.00 N ATOM 920 CA ALA A 90 3.168 -3.116 1.756 1.00 0.00 C ATOM 921 C ALA A 90 2.881 -1.621 1.679 1.00 0.00 C ATOM 922 O ALA A 90 1.834 -1.155 2.131 1.00 0.00 O ATOM 923 CB ALA A 90 2.539 -3.838 0.573 1.00 0.00 C ATOM 0 H ALA A 90 1.867 -3.207 3.397 1.00 0.00 H new ATOM 0 HA ALA A 90 4.249 -3.253 1.719 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.911 -3.406 -0.356 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.800 -4.896 0.612 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.455 -3.730 0.615 1.00 0.00 H new ATOM 929 N PHE A 91 3.817 -0.872 1.105 1.00 0.00 N ATOM 930 CA PHE A 91 3.664 0.572 0.971 1.00 0.00 C ATOM 931 C PHE A 91 3.075 0.933 -0.389 1.00 0.00 C ATOM 932 O PHE A 91 3.726 0.775 -1.423 1.00 0.00 O ATOM 933 CB PHE A 91 5.015 1.268 1.155 1.00 0.00 C ATOM 934 CG PHE A 91 5.353 1.549 2.591 1.00 0.00 C ATOM 935 CD1 PHE A 91 4.439 2.177 3.422 1.00 0.00 C ATOM 936 CD2 PHE A 91 6.585 1.185 3.110 1.00 0.00 C ATOM 937 CE1 PHE A 91 4.749 2.438 4.743 1.00 0.00 C ATOM 938 CE2 PHE A 91 6.900 1.442 4.431 1.00 0.00 C ATOM 939 CZ PHE A 91 5.980 2.069 5.249 1.00 0.00 C ATOM 0 H PHE A 91 4.689 -1.241 0.725 1.00 0.00 H new ATOM 0 HA PHE A 91 2.978 0.913 1.746 1.00 0.00 H new ATOM 0 HB2 PHE A 91 5.798 0.646 0.721 1.00 0.00 H new ATOM 0 HB3 PHE A 91 5.010 2.207 0.601 1.00 0.00 H new ATOM 0 HD1 PHE A 91 3.474 2.466 3.033 1.00 0.00 H new ATOM 0 HD2 PHE A 91 7.308 0.695 2.475 1.00 0.00 H new ATOM 0 HE1 PHE A 91 4.029 2.930 5.380 1.00 0.00 H new ATOM 0 HE2 PHE A 91 7.864 1.153 4.823 1.00 0.00 H new ATOM 0 HZ PHE A 91 6.223 2.270 6.282 1.00 0.00 H new ATOM 949 N LEU A 92 1.838 1.418 -0.382 1.00 0.00 N ATOM 950 CA LEU A 92 1.159 1.801 -1.614 1.00 0.00 C ATOM 951 C LEU A 92 1.152 3.317 -1.784 1.00 0.00 C ATOM 952 O LEU A 92 0.935 4.059 -0.825 1.00 0.00 O ATOM 953 CB LEU A 92 -0.276 1.270 -1.616 1.00 0.00 C ATOM 954 CG LEU A 92 -1.236 1.933 -2.604 1.00 0.00 C ATOM 955 CD1 LEU A 92 -0.866 1.570 -4.033 1.00 0.00 C ATOM 956 CD2 LEU A 92 -2.672 1.530 -2.304 1.00 0.00 C ATOM 0 H LEU A 92 1.285 1.555 0.464 1.00 0.00 H new ATOM 0 HA LEU A 92 1.703 1.362 -2.450 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.246 0.202 -1.830 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.685 1.382 -0.612 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.152 3.014 -2.493 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.560 2.051 -4.722 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.148 1.910 -4.244 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.920 0.489 -4.159 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.341 2.011 -3.017 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -2.771 0.448 -2.387 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.934 1.842 -1.293 1.00 0.00 H new ATOM 968 N THR A 93 1.390 3.771 -3.010 1.00 0.00 N ATOM 969 CA THR A 93 1.410 5.198 -3.306 1.00 0.00 C ATOM 970 C THR A 93 0.427 5.543 -4.419 1.00 0.00 C ATOM 971 O THR A 93 0.299 4.807 -5.398 1.00 0.00 O ATOM 972 CB THR A 93 2.819 5.667 -3.717 1.00 0.00 C ATOM 973 OG1 THR A 93 3.757 5.368 -2.678 1.00 0.00 O ATOM 974 CG2 THR A 93 2.830 7.161 -4.004 1.00 0.00 C ATOM 0 H THR A 93 1.572 3.171 -3.815 1.00 0.00 H new ATOM 0 HA THR A 93 1.115 5.714 -2.392 1.00 0.00 H new ATOM 0 HB THR A 93 3.104 5.137 -4.626 1.00 0.00 H new ATOM 0 HG1 THR A 93 4.650 5.668 -2.948 1.00 0.00 H new ATOM 0 HG21 THR A 93 3.835 7.469 -4.292 1.00 0.00 H new ATOM 0 HG22 THR A 93 2.137 7.381 -4.816 1.00 0.00 H new ATOM 0 HG23 THR A 93 2.526 7.705 -3.110 1.00 0.00 H new ATOM 982 N TYR A 94 -0.264 6.667 -4.264 1.00 0.00 N ATOM 983 CA TYR A 94 -1.238 7.108 -5.255 1.00 0.00 C ATOM 984 C TYR A 94 -0.790 8.408 -5.918 1.00 0.00 C ATOM 985 O TYR A 94 -0.300 9.320 -5.251 1.00 0.00 O ATOM 986 CB TYR A 94 -2.609 7.301 -4.605 1.00 0.00 C ATOM 987 CG TYR A 94 -3.470 6.059 -4.629 1.00 0.00 C ATOM 988 CD1 TYR A 94 -3.947 5.544 -5.828 1.00 0.00 C ATOM 989 CD2 TYR A 94 -3.808 5.400 -3.453 1.00 0.00 C ATOM 990 CE1 TYR A 94 -4.736 4.410 -5.855 1.00 0.00 C ATOM 991 CE2 TYR A 94 -4.595 4.265 -3.471 1.00 0.00 C ATOM 992 CZ TYR A 94 -5.056 3.774 -4.674 1.00 0.00 C ATOM 993 OH TYR A 94 -5.841 2.643 -4.696 1.00 0.00 O ATOM 0 H TYR A 94 -0.168 7.289 -3.461 1.00 0.00 H new ATOM 0 HA TYR A 94 -1.313 6.336 -6.021 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.470 7.617 -3.571 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -3.134 8.107 -5.117 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -3.697 6.039 -6.755 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.449 5.782 -2.509 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.100 4.024 -6.796 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -4.848 3.765 -2.548 1.00 0.00 H new ATOM 0 HH TYR A 94 -5.958 2.344 -5.622 1.00 0.00 H new ATOM 1003 N CYS A 95 -0.962 8.483 -7.233 1.00 0.00 N ATOM 1004 CA CYS A 95 -0.575 9.671 -7.987 1.00 0.00 C ATOM 1005 C CYS A 95 -1.378 10.886 -7.537 1.00 0.00 C ATOM 1006 O CYS A 95 -0.842 11.987 -7.415 1.00 0.00 O ATOM 1007 CB CYS A 95 -0.778 9.437 -9.485 1.00 0.00 C ATOM 1008 SG CYS A 95 -2.471 9.718 -10.053 1.00 0.00 S ATOM 0 H CYS A 95 -1.366 7.737 -7.799 1.00 0.00 H new ATOM 0 HA CYS A 95 0.480 9.865 -7.796 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -0.107 10.094 -10.039 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -0.491 8.413 -9.724 1.00 0.00 H new ATOM 0 HG CYS A 95 -2.542 9.497 -11.332 1.00 0.00 H new ATOM 1014 N ALA A 96 -2.668 10.679 -7.292 1.00 0.00 N ATOM 1015 CA ALA A 96 -3.546 11.758 -6.855 1.00 0.00 C ATOM 1016 C ALA A 96 -3.666 11.786 -5.335 1.00 0.00 C ATOM 1017 O ALA A 96 -3.103 10.938 -4.643 1.00 0.00 O ATOM 1018 CB ALA A 96 -4.919 11.613 -7.493 1.00 0.00 C ATOM 0 H ALA A 96 -3.128 9.774 -7.389 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.107 12.703 -7.176 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.564 12.425 -7.158 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.822 11.651 -8.578 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.357 10.658 -7.201 1.00 0.00 H new ATOM 1024 N ARG A 97 -4.402 12.767 -4.822 1.00 0.00 N ATOM 1025 CA ARG A 97 -4.594 12.906 -3.384 1.00 0.00 C ATOM 1026 C ARG A 97 -5.922 12.292 -2.951 1.00 0.00 C ATOM 1027 O ARG A 97 -6.045 11.774 -1.841 1.00 0.00 O ATOM 1028 CB ARG A 97 -4.547 14.381 -2.982 1.00 0.00 C ATOM 1029 CG ARG A 97 -5.794 15.159 -3.369 1.00 0.00 C ATOM 1030 CD ARG A 97 -5.479 16.623 -3.631 1.00 0.00 C ATOM 1031 NE ARG A 97 -6.571 17.303 -4.322 1.00 0.00 N ATOM 1032 CZ ARG A 97 -6.423 18.441 -4.991 1.00 0.00 C ATOM 1033 NH1 ARG A 97 -5.234 19.023 -5.059 1.00 0.00 N ATOM 1034 NH2 ARG A 97 -7.465 18.998 -5.594 1.00 0.00 N ATOM 0 H ARG A 97 -4.875 13.477 -5.381 1.00 0.00 H new ATOM 0 HA ARG A 97 -3.786 12.374 -2.882 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -4.406 14.450 -1.903 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -3.679 14.848 -3.447 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -6.238 14.716 -4.260 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -6.534 15.082 -2.572 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -5.280 17.126 -2.685 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -4.570 16.697 -4.228 1.00 0.00 H new ATOM 0 HE ARG A 97 -7.499 16.881 -4.289 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -4.431 18.597 -4.597 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -5.123 19.897 -5.573 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -8.381 18.552 -5.544 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -7.350 19.872 -6.107 1.00 0.00 H new ATOM 1048 N ASP A 98 -6.913 12.356 -3.834 1.00 0.00 N ATOM 1049 CA ASP A 98 -8.232 11.806 -3.543 1.00 0.00 C ATOM 1050 C ASP A 98 -8.199 10.281 -3.550 1.00 0.00 C ATOM 1051 O ASP A 98 -8.698 9.635 -2.628 1.00 0.00 O ATOM 1052 CB ASP A 98 -9.254 12.310 -4.563 1.00 0.00 C ATOM 1053 CG ASP A 98 -9.010 11.753 -5.952 1.00 0.00 C ATOM 1054 OD1 ASP A 98 -8.003 12.143 -6.579 1.00 0.00 O ATOM 1055 OD2 ASP A 98 -9.826 10.926 -6.411 1.00 0.00 O ATOM 0 H ASP A 98 -6.828 12.783 -4.756 1.00 0.00 H new ATOM 0 HA ASP A 98 -8.526 12.141 -2.548 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -10.256 12.034 -4.235 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -9.219 13.399 -4.600 1.00 0.00 H new ATOM 1060 N SER A 99 -7.608 9.711 -4.595 1.00 0.00 N ATOM 1061 CA SER A 99 -7.513 8.262 -4.724 1.00 0.00 C ATOM 1062 C SER A 99 -7.200 7.616 -3.378 1.00 0.00 C ATOM 1063 O SER A 99 -7.842 6.645 -2.978 1.00 0.00 O ATOM 1064 CB SER A 99 -6.436 7.888 -5.745 1.00 0.00 C ATOM 1065 OG SER A 99 -6.848 8.211 -7.062 1.00 0.00 O ATOM 0 H SER A 99 -7.187 10.231 -5.365 1.00 0.00 H new ATOM 0 HA SER A 99 -8.477 7.889 -5.071 1.00 0.00 H new ATOM 0 HB2 SER A 99 -5.510 8.414 -5.511 1.00 0.00 H new ATOM 0 HB3 SER A 99 -6.222 6.821 -5.679 1.00 0.00 H new ATOM 0 HG SER A 99 -6.142 7.964 -7.695 1.00 0.00 H new ATOM 1071 N ALA A 100 -6.208 8.162 -2.683 1.00 0.00 N ATOM 1072 CA ALA A 100 -5.809 7.642 -1.381 1.00 0.00 C ATOM 1073 C ALA A 100 -6.966 7.701 -0.389 1.00 0.00 C ATOM 1074 O ALA A 100 -7.290 6.707 0.263 1.00 0.00 O ATOM 1075 CB ALA A 100 -4.613 8.416 -0.847 1.00 0.00 C ATOM 0 H ALA A 100 -5.665 8.965 -3.000 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.525 6.597 -1.506 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -4.326 8.017 0.126 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -3.777 8.318 -1.540 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.877 9.468 -0.744 1.00 0.00 H new ATOM 1081 N LEU A 101 -7.586 8.871 -0.279 1.00 0.00 N ATOM 1082 CA LEU A 101 -8.707 9.059 0.635 1.00 0.00 C ATOM 1083 C LEU A 101 -9.796 8.021 0.383 1.00 0.00 C ATOM 1084 O LEU A 101 -10.291 7.386 1.314 1.00 0.00 O ATOM 1085 CB LEU A 101 -9.284 10.468 0.482 1.00 0.00 C ATOM 1086 CG LEU A 101 -8.287 11.619 0.615 1.00 0.00 C ATOM 1087 CD1 LEU A 101 -8.886 12.909 0.077 1.00 0.00 C ATOM 1088 CD2 LEU A 101 -7.861 11.792 2.066 1.00 0.00 C ATOM 0 H LEU A 101 -7.331 9.703 -0.811 1.00 0.00 H new ATOM 0 HA LEU A 101 -8.339 8.932 1.653 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -9.762 10.539 -0.495 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -10.065 10.602 1.230 1.00 0.00 H new ATOM 0 HG LEU A 101 -7.403 11.378 0.024 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -8.162 13.717 0.180 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -9.140 12.781 -0.975 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -9.786 13.155 0.640 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -7.151 12.616 2.141 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -8.736 12.010 2.679 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -7.390 10.874 2.419 1.00 0.00 H new ATOM 1100 N LYS A 102 -10.162 7.852 -0.883 1.00 0.00 N ATOM 1101 CA LYS A 102 -11.190 6.889 -1.260 1.00 0.00 C ATOM 1102 C LYS A 102 -10.757 5.468 -0.914 1.00 0.00 C ATOM 1103 O LYS A 102 -11.315 4.841 -0.014 1.00 0.00 O ATOM 1104 CB LYS A 102 -11.489 6.991 -2.758 1.00 0.00 C ATOM 1105 CG LYS A 102 -11.976 8.364 -3.188 1.00 0.00 C ATOM 1106 CD LYS A 102 -12.242 8.418 -4.683 1.00 0.00 C ATOM 1107 CE LYS A 102 -13.572 7.768 -5.037 1.00 0.00 C ATOM 1108 NZ LYS A 102 -13.769 7.675 -6.510 1.00 0.00 N ATOM 0 H LYS A 102 -9.762 8.370 -1.666 1.00 0.00 H new ATOM 0 HA LYS A 102 -12.094 7.122 -0.698 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -10.587 6.743 -3.318 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -12.242 6.248 -3.021 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -12.888 8.614 -2.646 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -11.232 9.115 -2.923 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -12.243 9.456 -5.016 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -11.436 7.913 -5.215 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -13.616 6.770 -4.601 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -14.386 8.344 -4.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -14.686 7.227 -6.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -13.753 8.629 -6.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -13.006 7.104 -6.927 1.00 0.00 H new ATOM 1122 N ALA A 103 -9.758 4.967 -1.633 1.00 0.00 N ATOM 1123 CA ALA A 103 -9.248 3.621 -1.398 1.00 0.00 C ATOM 1124 C ALA A 103 -8.969 3.390 0.083 1.00 0.00 C ATOM 1125 O ALA A 103 -8.978 2.254 0.555 1.00 0.00 O ATOM 1126 CB ALA A 103 -7.989 3.384 -2.218 1.00 0.00 C ATOM 0 H ALA A 103 -9.286 5.472 -2.383 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.012 2.910 -1.711 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.619 2.376 -2.033 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.218 3.498 -3.278 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.227 4.108 -1.932 1.00 0.00 H new ATOM 1132 N GLN A 104 -8.719 4.475 0.809 1.00 0.00 N ATOM 1133 CA GLN A 104 -8.435 4.389 2.237 1.00 0.00 C ATOM 1134 C GLN A 104 -9.716 4.164 3.034 1.00 0.00 C ATOM 1135 O GLN A 104 -9.896 3.117 3.656 1.00 0.00 O ATOM 1136 CB GLN A 104 -7.739 5.664 2.718 1.00 0.00 C ATOM 1137 CG GLN A 104 -7.450 5.673 4.210 1.00 0.00 C ATOM 1138 CD GLN A 104 -7.459 7.071 4.797 1.00 0.00 C ATOM 1139 OE1 GLN A 104 -8.198 7.356 5.740 1.00 0.00 O ATOM 1140 NE2 GLN A 104 -6.635 7.952 4.242 1.00 0.00 N ATOM 0 H GLN A 104 -8.707 5.423 0.433 1.00 0.00 H new ATOM 0 HA GLN A 104 -7.773 3.538 2.399 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -6.802 5.784 2.174 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -8.363 6.523 2.472 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -8.192 5.062 4.724 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -6.478 5.213 4.391 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -6.040 7.673 3.462 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -6.597 8.908 4.596 1.00 0.00 H new ATOM 1149 N SER A 105 -10.603 5.153 3.011 1.00 0.00 N ATOM 1150 CA SER A 105 -11.866 5.065 3.735 1.00 0.00 C ATOM 1151 C SER A 105 -12.806 4.066 3.068 1.00 0.00 C ATOM 1152 O SER A 105 -13.892 3.785 3.574 1.00 0.00 O ATOM 1153 CB SER A 105 -12.533 6.439 3.810 1.00 0.00 C ATOM 1154 OG SER A 105 -13.655 6.416 4.675 1.00 0.00 O ATOM 0 H SER A 105 -10.471 6.025 2.499 1.00 0.00 H new ATOM 0 HA SER A 105 -11.653 4.718 4.746 1.00 0.00 H new ATOM 0 HB2 SER A 105 -11.813 7.177 4.163 1.00 0.00 H new ATOM 0 HB3 SER A 105 -12.845 6.750 2.813 1.00 0.00 H new ATOM 0 HG SER A 105 -14.050 5.519 4.674 1.00 0.00 H new ATOM 1160 N ALA A 106 -12.380 3.534 1.927 1.00 0.00 N ATOM 1161 CA ALA A 106 -13.182 2.565 1.190 1.00 0.00 C ATOM 1162 C ALA A 106 -12.702 1.142 1.452 1.00 0.00 C ATOM 1163 O ALA A 106 -13.445 0.179 1.258 1.00 0.00 O ATOM 1164 CB ALA A 106 -13.142 2.871 -0.300 1.00 0.00 C ATOM 0 H ALA A 106 -11.484 3.758 1.493 1.00 0.00 H new ATOM 0 HA ALA A 106 -14.212 2.643 1.539 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -13.745 2.140 -0.838 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -13.540 3.870 -0.477 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -12.112 2.823 -0.654 1.00 0.00 H new ATOM 1170 N LEU A 107 -11.456 1.015 1.894 1.00 0.00 N ATOM 1171 CA LEU A 107 -10.875 -0.292 2.183 1.00 0.00 C ATOM 1172 C LEU A 107 -10.666 -0.476 3.683 1.00 0.00 C ATOM 1173 O LEU A 107 -11.032 -1.506 4.250 1.00 0.00 O ATOM 1174 CB LEU A 107 -9.544 -0.455 1.447 1.00 0.00 C ATOM 1175 CG LEU A 107 -9.624 -0.521 -0.078 1.00 0.00 C ATOM 1176 CD1 LEU A 107 -8.234 -0.445 -0.690 1.00 0.00 C ATOM 1177 CD2 LEU A 107 -10.334 -1.793 -0.521 1.00 0.00 C ATOM 0 H LEU A 107 -10.828 1.801 2.060 1.00 0.00 H new ATOM 0 HA LEU A 107 -11.571 -1.056 1.836 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -8.896 0.377 1.721 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -9.063 -1.365 1.805 1.00 0.00 H new ATOM 0 HG LEU A 107 -10.201 0.335 -0.429 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -8.312 -0.494 -1.776 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.760 0.493 -0.402 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.632 -1.280 -0.332 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -10.382 -1.823 -1.610 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.785 -2.662 -0.158 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -11.345 -1.806 -0.113 1.00 0.00 H new ATOM 1189 N HIS A 108 -10.078 0.531 4.321 1.00 0.00 N ATOM 1190 CA HIS A 108 -9.823 0.483 5.756 1.00 0.00 C ATOM 1191 C HIS A 108 -11.012 -0.118 6.499 1.00 0.00 C ATOM 1192 O HIS A 108 -12.066 0.507 6.610 1.00 0.00 O ATOM 1193 CB HIS A 108 -9.528 1.884 6.291 1.00 0.00 C ATOM 1194 CG HIS A 108 -8.927 1.887 7.663 1.00 0.00 C ATOM 1195 ND1 HIS A 108 -7.616 1.542 7.911 1.00 0.00 N ATOM 1196 CD2 HIS A 108 -9.467 2.199 8.865 1.00 0.00 C ATOM 1197 CE1 HIS A 108 -7.375 1.639 9.207 1.00 0.00 C ATOM 1198 NE2 HIS A 108 -8.482 2.036 9.808 1.00 0.00 N ATOM 0 H HIS A 108 -9.769 1.390 3.867 1.00 0.00 H new ATOM 0 HA HIS A 108 -8.953 -0.152 5.924 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -8.849 2.391 5.605 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -10.453 2.460 6.307 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -10.483 2.517 9.048 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -6.433 1.429 9.692 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -8.588 2.196 10.810 1.00 0.00 H new ATOM 1206 N GLU A 109 -10.835 -1.335 7.005 1.00 0.00 N ATOM 1207 CA GLU A 109 -11.895 -2.020 7.735 1.00 0.00 C ATOM 1208 C GLU A 109 -13.169 -2.099 6.899 1.00 0.00 C ATOM 1209 O GLU A 109 -14.271 -1.902 7.410 1.00 0.00 O ATOM 1210 CB GLU A 109 -12.181 -1.301 9.055 1.00 0.00 C ATOM 1211 CG GLU A 109 -10.949 -1.102 9.921 1.00 0.00 C ATOM 1212 CD GLU A 109 -11.278 -1.038 11.400 1.00 0.00 C ATOM 1213 OE1 GLU A 109 -12.241 -0.332 11.763 1.00 0.00 O ATOM 1214 OE2 GLU A 109 -10.572 -1.696 12.193 1.00 0.00 O ATOM 0 H GLU A 109 -9.968 -1.866 6.923 1.00 0.00 H new ATOM 0 HA GLU A 109 -11.558 -3.035 7.947 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -12.624 -0.329 8.840 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -12.921 -1.872 9.617 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -10.249 -1.919 9.744 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -10.446 -0.181 9.625 1.00 0.00 H new ATOM 1221 N GLN A 110 -13.007 -2.388 5.612 1.00 0.00 N ATOM 1222 CA GLN A 110 -14.144 -2.491 4.705 1.00 0.00 C ATOM 1223 C GLN A 110 -14.073 -3.777 3.888 1.00 0.00 C ATOM 1224 O GLN A 110 -15.070 -4.482 3.732 1.00 0.00 O ATOM 1225 CB GLN A 110 -14.190 -1.281 3.770 1.00 0.00 C ATOM 1226 CG GLN A 110 -15.596 -0.904 3.331 1.00 0.00 C ATOM 1227 CD GLN A 110 -16.253 0.089 4.268 1.00 0.00 C ATOM 1228 OE1 GLN A 110 -17.377 -0.121 4.725 1.00 0.00 O ATOM 1229 NE2 GLN A 110 -15.555 1.180 4.560 1.00 0.00 N ATOM 0 H GLN A 110 -12.101 -2.555 5.174 1.00 0.00 H new ATOM 0 HA GLN A 110 -15.054 -2.512 5.305 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -13.734 -0.427 4.271 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -13.587 -1.492 2.887 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -15.558 -0.480 2.327 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -16.208 -1.804 3.274 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -14.627 1.314 4.159 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -15.947 1.884 5.185 1.00 0.00 H new ATOM 1238 N LYS A 111 -12.888 -4.076 3.367 1.00 0.00 N ATOM 1239 CA LYS A 111 -12.685 -5.278 2.566 1.00 0.00 C ATOM 1240 C LYS A 111 -12.042 -6.384 3.397 1.00 0.00 C ATOM 1241 O LYS A 111 -11.593 -6.150 4.520 1.00 0.00 O ATOM 1242 CB LYS A 111 -11.809 -4.964 1.351 1.00 0.00 C ATOM 1243 CG LYS A 111 -12.598 -4.529 0.128 1.00 0.00 C ATOM 1244 CD LYS A 111 -12.989 -5.718 -0.734 1.00 0.00 C ATOM 1245 CE LYS A 111 -11.927 -6.020 -1.781 1.00 0.00 C ATOM 1246 NZ LYS A 111 -11.847 -4.952 -2.814 1.00 0.00 N ATOM 0 H LYS A 111 -12.053 -3.502 3.485 1.00 0.00 H new ATOM 0 HA LYS A 111 -13.660 -5.625 2.224 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -11.103 -4.177 1.616 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -11.222 -5.847 1.099 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -13.495 -3.996 0.443 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -12.003 -3.831 -0.461 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -13.138 -6.594 -0.102 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -13.940 -5.515 -1.227 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -10.958 -6.128 -1.294 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -12.151 -6.973 -2.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -11.811 -5.385 -3.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -12.685 -4.339 -2.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -10.989 -4.384 -2.661 1.00 0.00 H new ATOM 1260 N THR A 112 -12.001 -7.589 2.838 1.00 0.00 N ATOM 1261 CA THR A 112 -11.413 -8.731 3.528 1.00 0.00 C ATOM 1262 C THR A 112 -10.742 -9.682 2.543 1.00 0.00 C ATOM 1263 O THR A 112 -11.414 -10.418 1.819 1.00 0.00 O ATOM 1264 CB THR A 112 -12.472 -9.508 4.333 1.00 0.00 C ATOM 1265 OG1 THR A 112 -13.301 -8.594 5.061 1.00 0.00 O ATOM 1266 CG2 THR A 112 -11.812 -10.481 5.298 1.00 0.00 C ATOM 0 H THR A 112 -12.368 -7.800 1.910 1.00 0.00 H new ATOM 0 HA THR A 112 -10.665 -8.334 4.214 1.00 0.00 H new ATOM 0 HB THR A 112 -13.085 -10.076 3.633 1.00 0.00 H new ATOM 0 HG1 THR A 112 -13.973 -9.095 5.569 1.00 0.00 H new ATOM 0 HG21 THR A 112 -12.580 -11.018 5.855 1.00 0.00 H new ATOM 0 HG22 THR A 112 -11.205 -11.193 4.739 1.00 0.00 H new ATOM 0 HG23 THR A 112 -11.178 -9.930 5.993 1.00 0.00 H new ATOM 1274 N LEU A 113 -9.414 -9.663 2.521 1.00 0.00 N ATOM 1275 CA LEU A 113 -8.651 -10.525 1.625 1.00 0.00 C ATOM 1276 C LEU A 113 -8.909 -11.996 1.934 1.00 0.00 C ATOM 1277 O LEU A 113 -9.281 -12.366 3.048 1.00 0.00 O ATOM 1278 CB LEU A 113 -7.156 -10.222 1.744 1.00 0.00 C ATOM 1279 CG LEU A 113 -6.686 -8.909 1.117 1.00 0.00 C ATOM 1280 CD1 LEU A 113 -5.219 -8.661 1.435 1.00 0.00 C ATOM 1281 CD2 LEU A 113 -6.911 -8.926 -0.388 1.00 0.00 C ATOM 0 H LEU A 113 -8.843 -9.060 3.113 1.00 0.00 H new ATOM 0 HA LEU A 113 -8.976 -10.325 0.604 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -6.891 -10.212 2.801 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -6.602 -11.040 1.284 1.00 0.00 H new ATOM 0 HG LEU A 113 -7.272 -8.095 1.543 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -4.902 -7.722 0.981 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -5.085 -8.605 2.515 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -4.617 -9.478 1.037 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -6.571 -7.984 -0.817 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -6.351 -9.750 -0.830 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -7.973 -9.057 -0.596 1.00 0.00 H new ATOM 1293 N PRO A 114 -8.706 -12.857 0.926 1.00 0.00 N ATOM 1294 CA PRO A 114 -8.908 -14.302 1.066 1.00 0.00 C ATOM 1295 C PRO A 114 -7.858 -14.950 1.961 1.00 0.00 C ATOM 1296 O PRO A 114 -6.688 -15.045 1.593 1.00 0.00 O ATOM 1297 CB PRO A 114 -8.780 -14.819 -0.369 1.00 0.00 C ATOM 1298 CG PRO A 114 -7.931 -13.810 -1.061 1.00 0.00 C ATOM 1299 CD PRO A 114 -8.262 -12.486 -0.429 1.00 0.00 C ATOM 0 HA PRO A 114 -9.864 -14.536 1.534 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -8.321 -15.807 -0.394 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -9.756 -14.909 -0.846 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -6.873 -14.044 -0.944 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -8.138 -13.794 -2.131 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -7.395 -11.826 -0.401 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -9.044 -11.962 -0.979 1.00 0.00 H new ATOM 1307 N GLY A 115 -8.284 -15.396 3.139 1.00 0.00 N ATOM 1308 CA GLY A 115 -7.367 -16.030 4.068 1.00 0.00 C ATOM 1309 C GLY A 115 -7.141 -15.201 5.317 1.00 0.00 C ATOM 1310 O GLY A 115 -6.496 -15.653 6.262 1.00 0.00 O ATOM 0 H GLY A 115 -9.248 -15.329 3.466 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -7.759 -17.007 4.350 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -6.412 -16.201 3.571 1.00 0.00 H new ATOM 1314 N MET A 116 -7.672 -13.982 5.320 1.00 0.00 N ATOM 1315 CA MET A 116 -7.524 -13.088 6.462 1.00 0.00 C ATOM 1316 C MET A 116 -8.863 -12.871 7.160 1.00 0.00 C ATOM 1317 O MET A 116 -9.753 -12.211 6.624 1.00 0.00 O ATOM 1318 CB MET A 116 -6.946 -11.744 6.013 1.00 0.00 C ATOM 1319 CG MET A 116 -5.473 -11.809 5.644 1.00 0.00 C ATOM 1320 SD MET A 116 -4.419 -12.182 7.059 1.00 0.00 S ATOM 1321 CE MET A 116 -3.151 -10.930 6.876 1.00 0.00 C ATOM 0 H MET A 116 -8.208 -13.592 4.545 1.00 0.00 H new ATOM 0 HA MET A 116 -6.837 -13.553 7.169 1.00 0.00 H new ATOM 0 HB2 MET A 116 -7.512 -11.383 5.154 1.00 0.00 H new ATOM 0 HB3 MET A 116 -7.080 -11.015 6.812 1.00 0.00 H new ATOM 0 HG2 MET A 116 -5.328 -12.570 4.877 1.00 0.00 H new ATOM 0 HG3 MET A 116 -5.169 -10.857 5.210 1.00 0.00 H new ATOM 0 HE1 MET A 116 -2.180 -11.356 7.127 1.00 0.00 H new ATOM 0 HE2 MET A 116 -3.136 -10.575 5.845 1.00 0.00 H new ATOM 0 HE3 MET A 116 -3.365 -10.096 7.544 1.00 0.00 H new ATOM 1331 N ASN A 117 -8.999 -13.431 8.358 1.00 0.00 N ATOM 1332 CA ASN A 117 -10.230 -13.299 9.128 1.00 0.00 C ATOM 1333 C ASN A 117 -10.584 -11.830 9.341 1.00 0.00 C ATOM 1334 O ASN A 117 -11.758 -11.461 9.366 1.00 0.00 O ATOM 1335 CB ASN A 117 -10.088 -14.001 10.480 1.00 0.00 C ATOM 1336 CG ASN A 117 -11.352 -13.911 11.314 1.00 0.00 C ATOM 1337 OD1 ASN A 117 -11.772 -12.822 11.707 1.00 0.00 O ATOM 1338 ND2 ASN A 117 -11.963 -15.057 11.588 1.00 0.00 N ATOM 0 H ASN A 117 -8.272 -13.980 8.816 1.00 0.00 H new ATOM 0 HA ASN A 117 -11.034 -13.770 8.563 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -9.837 -15.049 10.317 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -9.260 -13.557 11.032 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -12.817 -15.059 12.146 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -11.578 -15.936 11.241 1.00 0.00 H new ATOM 1345 N ARG A 118 -9.560 -10.996 9.492 1.00 0.00 N ATOM 1346 CA ARG A 118 -9.763 -9.568 9.703 1.00 0.00 C ATOM 1347 C ARG A 118 -9.706 -8.810 8.380 1.00 0.00 C ATOM 1348 O ARG A 118 -9.104 -9.258 7.404 1.00 0.00 O ATOM 1349 CB ARG A 118 -8.707 -9.018 10.664 1.00 0.00 C ATOM 1350 CG ARG A 118 -8.936 -9.416 12.113 1.00 0.00 C ATOM 1351 CD ARG A 118 -7.793 -8.954 13.004 1.00 0.00 C ATOM 1352 NE ARG A 118 -6.540 -9.631 12.682 1.00 0.00 N ATOM 1353 CZ ARG A 118 -6.316 -10.918 12.924 1.00 0.00 C ATOM 1354 NH1 ARG A 118 -7.257 -11.663 13.487 1.00 0.00 N ATOM 1355 NH2 ARG A 118 -5.149 -11.461 12.602 1.00 0.00 N ATOM 0 H ARG A 118 -8.582 -11.285 9.472 1.00 0.00 H new ATOM 0 HA ARG A 118 -10.751 -9.427 10.141 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -7.724 -9.370 10.350 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -8.694 -7.930 10.592 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -9.872 -8.984 12.467 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -9.038 -10.499 12.182 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -7.661 -7.877 12.896 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -8.048 -9.141 14.047 1.00 0.00 H new ATOM 0 HE ARG A 118 -5.796 -9.086 12.247 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -8.155 -11.248 13.735 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -7.083 -12.651 13.672 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -4.423 -10.890 12.168 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -4.978 -12.449 12.788 1.00 0.00 H new ATOM 1369 N PRO A 119 -10.349 -7.633 8.344 1.00 0.00 N ATOM 1370 CA PRO A 119 -10.387 -6.788 7.147 1.00 0.00 C ATOM 1371 C PRO A 119 -9.030 -6.167 6.833 1.00 0.00 C ATOM 1372 O PRO A 119 -8.074 -6.325 7.592 1.00 0.00 O ATOM 1373 CB PRO A 119 -11.400 -5.700 7.513 1.00 0.00 C ATOM 1374 CG PRO A 119 -11.366 -5.635 9.001 1.00 0.00 C ATOM 1375 CD PRO A 119 -11.088 -7.037 9.470 1.00 0.00 C ATOM 0 HA PRO A 119 -10.654 -7.356 6.256 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -11.130 -4.742 7.069 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -12.397 -5.950 7.150 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -10.592 -4.948 9.344 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -12.314 -5.271 9.398 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -10.498 -7.045 10.387 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -12.009 -7.581 9.679 1.00 0.00 H new ATOM 1383 N ILE A 120 -8.953 -5.462 5.709 1.00 0.00 N ATOM 1384 CA ILE A 120 -7.713 -4.816 5.296 1.00 0.00 C ATOM 1385 C ILE A 120 -7.581 -3.430 5.917 1.00 0.00 C ATOM 1386 O ILE A 120 -8.472 -2.592 5.781 1.00 0.00 O ATOM 1387 CB ILE A 120 -7.627 -4.691 3.764 1.00 0.00 C ATOM 1388 CG1 ILE A 120 -6.496 -3.738 3.371 1.00 0.00 C ATOM 1389 CG2 ILE A 120 -8.954 -4.209 3.197 1.00 0.00 C ATOM 1390 CD1 ILE A 120 -6.352 -3.555 1.876 1.00 0.00 C ATOM 0 H ILE A 120 -9.734 -5.324 5.068 1.00 0.00 H new ATOM 0 HA ILE A 120 -6.897 -5.447 5.647 1.00 0.00 H new ATOM 0 HB ILE A 120 -7.411 -5.674 3.345 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -6.674 -2.767 3.832 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -5.557 -4.116 3.775 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -8.878 -4.125 2.113 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -9.739 -4.921 3.452 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -9.198 -3.234 3.620 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -5.532 -2.867 1.671 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -6.143 -4.518 1.410 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -7.277 -3.148 1.468 1.00 0.00 H new ATOM 1402 N GLN A 121 -6.463 -3.195 6.596 1.00 0.00 N ATOM 1403 CA GLN A 121 -6.215 -1.909 7.237 1.00 0.00 C ATOM 1404 C GLN A 121 -5.325 -1.029 6.365 1.00 0.00 C ATOM 1405 O GLN A 121 -4.193 -1.394 6.049 1.00 0.00 O ATOM 1406 CB GLN A 121 -5.564 -2.115 8.606 1.00 0.00 C ATOM 1407 CG GLN A 121 -6.566 -2.278 9.738 1.00 0.00 C ATOM 1408 CD GLN A 121 -7.027 -3.712 9.907 1.00 0.00 C ATOM 1409 OE1 GLN A 121 -7.898 -4.186 9.177 1.00 0.00 O ATOM 1410 NE2 GLN A 121 -6.444 -4.411 10.873 1.00 0.00 N ATOM 0 H GLN A 121 -5.715 -3.878 6.716 1.00 0.00 H new ATOM 0 HA GLN A 121 -7.173 -1.407 7.370 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -4.926 -2.998 8.567 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -4.918 -1.265 8.823 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -6.116 -1.933 10.669 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -7.431 -1.642 9.547 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -5.726 -3.978 11.454 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -6.713 -5.381 11.034 1.00 0.00 H new ATOM 1419 N VAL A 122 -5.846 0.131 5.978 1.00 0.00 N ATOM 1420 CA VAL A 122 -5.099 1.064 5.143 1.00 0.00 C ATOM 1421 C VAL A 122 -5.112 2.467 5.738 1.00 0.00 C ATOM 1422 O VAL A 122 -6.169 3.080 5.888 1.00 0.00 O ATOM 1423 CB VAL A 122 -5.670 1.119 3.713 1.00 0.00 C ATOM 1424 CG1 VAL A 122 -4.794 1.985 2.821 1.00 0.00 C ATOM 1425 CG2 VAL A 122 -5.807 -0.284 3.140 1.00 0.00 C ATOM 0 H VAL A 122 -6.783 0.447 6.229 1.00 0.00 H new ATOM 0 HA VAL A 122 -4.072 0.700 5.103 1.00 0.00 H new ATOM 0 HB VAL A 122 -6.662 1.569 3.753 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -5.213 2.012 1.815 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -4.752 2.997 3.224 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -3.788 1.568 2.784 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -6.212 -0.226 2.130 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.828 -0.763 3.112 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -6.479 -0.869 3.767 1.00 0.00 H new ATOM 1435 N LYS A 123 -3.931 2.971 6.076 1.00 0.00 N ATOM 1436 CA LYS A 123 -3.804 4.304 6.654 1.00 0.00 C ATOM 1437 C LYS A 123 -2.850 5.165 5.833 1.00 0.00 C ATOM 1438 O LYS A 123 -1.883 4.677 5.247 1.00 0.00 O ATOM 1439 CB LYS A 123 -3.309 4.211 8.099 1.00 0.00 C ATOM 1440 CG LYS A 123 -2.038 3.393 8.255 1.00 0.00 C ATOM 1441 CD LYS A 123 -1.974 2.715 9.613 1.00 0.00 C ATOM 1442 CE LYS A 123 -1.536 3.685 10.700 1.00 0.00 C ATOM 1443 NZ LYS A 123 -0.111 4.087 10.543 1.00 0.00 N ATOM 0 H LYS A 123 -3.047 2.476 5.960 1.00 0.00 H new ATOM 0 HA LYS A 123 -4.788 4.772 6.643 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -3.133 5.217 8.479 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -4.093 3.770 8.715 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -1.990 2.640 7.469 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -1.170 4.040 8.129 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -2.953 2.305 9.863 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -1.279 1.877 9.570 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -2.169 4.572 10.672 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -1.678 3.223 11.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 0.242 4.471 11.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 0.456 3.258 10.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -0.035 4.813 9.802 1.00 0.00 H new ATOM 1457 N PRO A 124 -3.124 6.477 5.789 1.00 0.00 N ATOM 1458 CA PRO A 124 -2.300 7.434 5.044 1.00 0.00 C ATOM 1459 C PRO A 124 -0.931 7.641 5.684 1.00 0.00 C ATOM 1460 O PRO A 124 -0.721 8.602 6.424 1.00 0.00 O ATOM 1461 CB PRO A 124 -3.118 8.726 5.101 1.00 0.00 C ATOM 1462 CG PRO A 124 -3.951 8.594 6.329 1.00 0.00 C ATOM 1463 CD PRO A 124 -4.259 7.128 6.464 1.00 0.00 C ATOM 0 HA PRO A 124 -2.091 7.090 4.031 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -2.471 9.602 5.154 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -3.739 8.841 4.212 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -3.417 8.963 7.205 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -4.867 9.179 6.244 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -4.331 6.827 7.509 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -5.208 6.872 5.992 1.00 0.00 H new ATOM 1471 N ALA A 125 -0.004 6.735 5.394 1.00 0.00 N ATOM 1472 CA ALA A 125 1.345 6.820 5.939 1.00 0.00 C ATOM 1473 C ALA A 125 1.817 8.269 6.013 1.00 0.00 C ATOM 1474 O ALA A 125 2.320 8.818 5.033 1.00 0.00 O ATOM 1475 CB ALA A 125 2.307 5.992 5.100 1.00 0.00 C ATOM 0 H ALA A 125 -0.163 5.933 4.784 1.00 0.00 H new ATOM 0 HA ALA A 125 1.326 6.419 6.952 1.00 0.00 H new ATOM 0 HB1 ALA A 125 3.311 6.065 5.519 1.00 0.00 H new ATOM 0 HB2 ALA A 125 1.988 4.950 5.103 1.00 0.00 H new ATOM 0 HB3 ALA A 125 2.313 6.367 4.077 1.00 0.00 H new ATOM 1481 N ALA A 126 1.649 8.882 7.180 1.00 0.00 N ATOM 1482 CA ALA A 126 2.059 10.266 7.381 1.00 0.00 C ATOM 1483 C ALA A 126 2.914 10.409 8.636 1.00 0.00 C ATOM 1484 O ALA A 126 2.478 10.073 9.737 1.00 0.00 O ATOM 1485 CB ALA A 126 0.839 11.171 7.466 1.00 0.00 C ATOM 0 H ALA A 126 1.232 8.442 8.000 1.00 0.00 H new ATOM 0 HA ALA A 126 2.663 10.568 6.525 1.00 0.00 H new ATOM 0 HB1 ALA A 126 1.160 12.202 7.616 1.00 0.00 H new ATOM 0 HB2 ALA A 126 0.268 11.100 6.540 1.00 0.00 H new ATOM 0 HB3 ALA A 126 0.213 10.860 8.303 1.00 0.00 H new ATOM 1491 N SER A 127 4.134 10.908 8.462 1.00 0.00 N ATOM 1492 CA SER A 127 5.051 11.090 9.580 1.00 0.00 C ATOM 1493 C SER A 127 4.517 12.133 10.557 1.00 0.00 C ATOM 1494 O SER A 127 4.473 11.902 11.765 1.00 0.00 O ATOM 1495 CB SER A 127 6.431 11.512 9.071 1.00 0.00 C ATOM 1496 OG SER A 127 7.342 11.677 10.145 1.00 0.00 O ATOM 0 H SER A 127 4.510 11.193 7.558 1.00 0.00 H new ATOM 0 HA SER A 127 5.139 10.138 10.104 1.00 0.00 H new ATOM 0 HB2 SER A 127 6.812 10.761 8.379 1.00 0.00 H new ATOM 0 HB3 SER A 127 6.347 12.445 8.514 1.00 0.00 H new ATOM 0 HG SER A 127 8.217 11.945 9.794 1.00 0.00 H new ATOM 1502 N GLU A 128 4.112 13.282 10.024 1.00 0.00 N ATOM 1503 CA GLU A 128 3.581 14.361 10.848 1.00 0.00 C ATOM 1504 C GLU A 128 2.066 14.468 10.695 1.00 0.00 C ATOM 1505 O GLU A 128 1.562 14.814 9.627 1.00 0.00 O ATOM 1506 CB GLU A 128 4.238 15.690 10.472 1.00 0.00 C ATOM 1507 CG GLU A 128 5.754 15.671 10.576 1.00 0.00 C ATOM 1508 CD GLU A 128 6.240 15.722 12.012 1.00 0.00 C ATOM 1509 OE1 GLU A 128 6.252 14.661 12.671 1.00 0.00 O ATOM 1510 OE2 GLU A 128 6.609 16.821 12.476 1.00 0.00 O ATOM 0 H GLU A 128 4.142 13.489 9.026 1.00 0.00 H new ATOM 0 HA GLU A 128 3.808 14.134 11.890 1.00 0.00 H new ATOM 0 HB2 GLU A 128 3.956 15.949 9.452 1.00 0.00 H new ATOM 0 HB3 GLU A 128 3.848 16.475 11.120 1.00 0.00 H new ATOM 0 HG2 GLU A 128 6.136 14.769 10.099 1.00 0.00 H new ATOM 0 HG3 GLU A 128 6.163 16.519 10.027 1.00 0.00 H new ATOM 1517 N GLY A 129 1.346 14.167 11.771 1.00 0.00 N ATOM 1518 CA GLY A 129 -0.103 14.235 11.736 1.00 0.00 C ATOM 1519 C GLY A 129 -0.638 15.524 12.328 1.00 0.00 C ATOM 1520 O GLY A 129 -0.075 16.055 13.285 1.00 0.00 O ATOM 0 H GLY A 129 1.740 13.877 12.666 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -0.443 14.144 10.704 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -0.517 13.388 12.284 1.00 0.00 H new ATOM 1524 N ARG A 130 -1.727 16.028 11.757 1.00 0.00 N ATOM 1525 CA ARG A 130 -2.336 17.265 12.233 1.00 0.00 C ATOM 1526 C ARG A 130 -3.308 16.987 13.376 1.00 0.00 C ATOM 1527 O ARG A 130 -4.052 16.008 13.348 1.00 0.00 O ATOM 1528 CB ARG A 130 -3.066 17.972 11.089 1.00 0.00 C ATOM 1529 CG ARG A 130 -2.172 18.891 10.273 1.00 0.00 C ATOM 1530 CD ARG A 130 -1.156 18.104 9.461 1.00 0.00 C ATOM 1531 NE ARG A 130 -0.135 18.969 8.874 1.00 0.00 N ATOM 1532 CZ ARG A 130 0.858 18.522 8.114 1.00 0.00 C ATOM 1533 NH1 ARG A 130 0.965 17.227 7.851 1.00 0.00 N ATOM 1534 NH2 ARG A 130 1.748 19.371 7.617 1.00 0.00 N ATOM 0 H ARG A 130 -2.206 15.599 10.965 1.00 0.00 H new ATOM 0 HA ARG A 130 -1.542 17.913 12.604 1.00 0.00 H new ATOM 0 HB2 ARG A 130 -3.502 17.222 10.429 1.00 0.00 H new ATOM 0 HB3 ARG A 130 -3.892 18.553 11.500 1.00 0.00 H new ATOM 0 HG2 ARG A 130 -2.784 19.496 9.604 1.00 0.00 H new ATOM 0 HG3 ARG A 130 -1.652 19.580 10.939 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -0.678 17.362 10.100 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -1.669 17.559 8.668 1.00 0.00 H new ATOM 0 HE ARG A 130 -0.188 19.971 9.058 1.00 0.00 H new ATOM 0 HH11 ARG A 130 0.284 16.571 8.233 1.00 0.00 H new ATOM 0 HH12 ARG A 130 1.729 16.887 7.267 1.00 0.00 H new ATOM 0 HH21 ARG A 130 1.670 20.368 7.819 1.00 0.00 H new ATOM 0 HH22 ARG A 130 2.510 19.027 7.033 1.00 0.00 H new ATOM 1548 N GLY A 131 -3.295 17.857 14.381 1.00 0.00 N ATOM 1549 CA GLY A 131 -4.178 17.688 15.520 1.00 0.00 C ATOM 1550 C GLY A 131 -3.701 18.447 16.742 1.00 0.00 C ATOM 1551 O GLY A 131 -2.930 17.922 17.544 1.00 0.00 O ATOM 0 H GLY A 131 -2.689 18.676 14.427 1.00 0.00 H new ATOM 0 HA2 GLY A 131 -5.179 18.028 15.253 1.00 0.00 H new ATOM 0 HA3 GLY A 131 -4.255 16.628 15.762 1.00 0.00 H new ATOM 1555 N GLU A 132 -4.159 19.687 16.884 1.00 0.00 N ATOM 1556 CA GLU A 132 -3.771 20.520 18.016 1.00 0.00 C ATOM 1557 C GLU A 132 -3.996 19.784 19.334 1.00 0.00 C ATOM 1558 O GLU A 132 -4.559 18.690 19.359 1.00 0.00 O ATOM 1559 CB GLU A 132 -4.563 21.829 18.009 1.00 0.00 C ATOM 1560 CG GLU A 132 -4.334 22.672 16.765 1.00 0.00 C ATOM 1561 CD GLU A 132 -5.399 23.735 16.577 1.00 0.00 C ATOM 1562 OE1 GLU A 132 -5.715 24.437 17.560 1.00 0.00 O ATOM 1563 OE2 GLU A 132 -5.916 23.865 15.448 1.00 0.00 O ATOM 0 H GLU A 132 -4.799 20.137 16.229 1.00 0.00 H new ATOM 0 HA GLU A 132 -2.709 20.746 17.922 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -5.626 21.601 18.093 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -4.292 22.413 18.888 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -3.356 23.150 16.829 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -4.315 22.023 15.889 1.00 0.00 H new ATOM 1570 N SER A 133 -3.550 20.394 20.428 1.00 0.00 N ATOM 1571 CA SER A 133 -3.698 19.796 21.750 1.00 0.00 C ATOM 1572 C SER A 133 -5.170 19.586 22.090 1.00 0.00 C ATOM 1573 O SER A 133 -6.045 20.271 21.561 1.00 0.00 O ATOM 1574 CB SER A 133 -3.039 20.682 22.810 1.00 0.00 C ATOM 1575 OG SER A 133 -1.646 20.436 22.886 1.00 0.00 O ATOM 0 H SER A 133 -3.084 21.301 20.425 1.00 0.00 H new ATOM 0 HA SER A 133 -3.204 18.825 21.740 1.00 0.00 H new ATOM 0 HB2 SER A 133 -3.214 21.731 22.571 1.00 0.00 H new ATOM 0 HB3 SER A 133 -3.498 20.495 23.781 1.00 0.00 H new ATOM 0 HG SER A 133 -1.248 21.015 23.569 1.00 0.00 H new ATOM 1581 N GLY A 134 -5.436 18.632 22.977 1.00 0.00 N ATOM 1582 CA GLY A 134 -6.802 18.347 23.373 1.00 0.00 C ATOM 1583 C GLY A 134 -7.645 19.601 23.494 1.00 0.00 C ATOM 1584 O GLY A 134 -8.287 20.038 22.538 1.00 0.00 O ATOM 0 H GLY A 134 -4.729 18.051 23.428 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -7.256 17.677 22.643 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -6.798 17.822 24.328 1.00 0.00 H new ATOM 1588 N PRO A 135 -7.651 20.202 24.693 1.00 0.00 N ATOM 1589 CA PRO A 135 -8.417 21.421 24.964 1.00 0.00 C ATOM 1590 C PRO A 135 -7.842 22.639 24.248 1.00 0.00 C ATOM 1591 O PRO A 135 -6.633 22.732 24.037 1.00 0.00 O ATOM 1592 CB PRO A 135 -8.297 21.586 26.481 1.00 0.00 C ATOM 1593 CG PRO A 135 -7.032 20.885 26.839 1.00 0.00 C ATOM 1594 CD PRO A 135 -6.909 19.736 25.877 1.00 0.00 C ATOM 0 HA PRO A 135 -9.445 21.343 24.610 1.00 0.00 H new ATOM 0 HB2 PRO A 135 -8.260 22.638 26.763 1.00 0.00 H new ATOM 0 HB3 PRO A 135 -9.152 21.148 26.996 1.00 0.00 H new ATOM 0 HG2 PRO A 135 -6.177 21.556 26.757 1.00 0.00 H new ATOM 0 HG3 PRO A 135 -7.061 20.530 27.869 1.00 0.00 H new ATOM 0 HD2 PRO A 135 -5.867 19.521 25.639 1.00 0.00 H new ATOM 0 HD3 PRO A 135 -7.338 18.821 26.286 1.00 0.00 H new ATOM 1602 N SER A 136 -8.716 23.569 23.878 1.00 0.00 N ATOM 1603 CA SER A 136 -8.295 24.780 23.183 1.00 0.00 C ATOM 1604 C SER A 136 -8.563 26.017 24.035 1.00 0.00 C ATOM 1605 O SER A 136 -7.645 26.768 24.365 1.00 0.00 O ATOM 1606 CB SER A 136 -9.022 24.903 21.843 1.00 0.00 C ATOM 1607 OG SER A 136 -8.580 26.043 21.126 1.00 0.00 O ATOM 0 H SER A 136 -9.720 23.507 24.048 1.00 0.00 H new ATOM 0 HA SER A 136 -7.222 24.711 23.002 1.00 0.00 H new ATOM 0 HB2 SER A 136 -8.849 24.006 21.248 1.00 0.00 H new ATOM 0 HB3 SER A 136 -10.096 24.971 22.013 1.00 0.00 H new ATOM 0 HG SER A 136 -9.058 26.098 20.272 1.00 0.00 H new ATOM 1613 N SER A 137 -9.828 26.222 24.388 1.00 0.00 N ATOM 1614 CA SER A 137 -10.219 27.369 25.198 1.00 0.00 C ATOM 1615 C SER A 137 -9.637 27.265 26.605 1.00 0.00 C ATOM 1616 O SER A 137 -8.885 28.133 27.043 1.00 0.00 O ATOM 1617 CB SER A 137 -11.744 27.473 25.271 1.00 0.00 C ATOM 1618 OG SER A 137 -12.320 26.240 25.666 1.00 0.00 O ATOM 0 H SER A 137 -10.599 25.608 24.126 1.00 0.00 H new ATOM 0 HA SER A 137 -9.823 28.268 24.725 1.00 0.00 H new ATOM 0 HB2 SER A 137 -12.025 28.253 25.979 1.00 0.00 H new ATOM 0 HB3 SER A 137 -12.139 27.768 24.299 1.00 0.00 H new ATOM 0 HG SER A 137 -13.295 26.333 25.707 1.00 0.00 H new ATOM 1624 N GLY A 138 -9.993 26.193 27.307 1.00 0.00 N ATOM 1625 CA GLY A 138 -9.498 25.994 28.657 1.00 0.00 C ATOM 1626 C GLY A 138 -8.582 24.791 28.766 1.00 0.00 C ATOM 1627 O GLY A 138 -7.364 24.937 28.870 1.00 0.00 O ATOM 0 H GLY A 138 -10.614 25.460 26.965 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -8.961 26.886 28.979 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -10.342 25.867 29.335 1.00 0.00 H new TER 1631 GLY A 138