USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 623 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 ASN : amide:sc= 1.05 K(o=1.9,f=-0.085) USER MOD Set 1.2: A 42 THR OG1 : rot -130:sc= 0.861 USER MOD Single : A 1 VAL N :NH3+ -173:sc= 1.01 (180deg=0.708) USER MOD Single : A 2 THR OG1 : rot 38:sc= 0.449 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl 170:sc= -0.751 (180deg=-0.931) USER MOD Single : A 13 THR OG1 : rot 164:sc= 1.27 USER MOD Single : A 14 CYS SG : rot 8:sc= 0.676 USER MOD Single : A 17 CYS SG : rot 180:sc= -0.585 USER MOD Single : A 19 ASN : amide:sc= 0.502 K(o=0.5,f=-0.008) USER MOD Single : A 23 LYS NZ :NH3+ -158:sc= 0.804 (180deg=0.146) USER MOD Single : A 26 ASN : amide:sc=-0.00164 X(o=-0.0016,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.272 X(o=-0.27,f=-0.27) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.0295 USER MOD Single : A 48 ASN : amide:sc= 0.00956 K(o=0.0096,f=-7.9!) USER MOD Single : A 50 LYS NZ :NH3+ 145:sc= 1.05 (180deg=0.748) USER MOD Single : A 53 SER OG : rot 104:sc= 1.35 USER MOD Single : A 55 SER OG : rot 102:sc= 0.0488 USER MOD Single : A 58 LYS NZ :NH3+ 165:sc= 1.07 (180deg=0.419) USER MOD Single : A 63 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0169) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0691) USER MOD Single : A 74 GLN : amide:sc= -0.215 X(o=-0.21,f=-0.4) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -7.523 13.984 7.894 1.00 10.00 N ATOM 2 CA VAL A 1 -7.945 12.925 8.819 1.00 10.00 C ATOM 3 C VAL A 1 -7.247 11.652 8.358 1.00 10.00 C ATOM 4 O VAL A 1 -6.074 11.496 8.672 1.00 10.00 O ATOM 5 CB VAL A 1 -9.478 12.803 8.921 1.00 10.00 C ATOM 6 CG1 VAL A 1 -9.874 11.693 9.905 1.00 10.00 C ATOM 7 CG2 VAL A 1 -10.101 14.114 9.414 1.00 10.00 C ATOM 0 H1 VAL A 1 -7.877 14.902 8.232 1.00 10.00 H new ATOM 0 H2 VAL A 1 -6.484 14.010 7.846 1.00 10.00 H new ATOM 0 H3 VAL A 1 -7.909 13.792 6.947 1.00 10.00 H new ATOM 0 HA VAL A 1 -7.651 13.154 9.843 1.00 10.00 H new ATOM 0 HB VAL A 1 -9.846 12.567 7.922 1.00 10.00 H new ATOM 0 HG11 VAL A 1 -10.961 11.626 9.960 1.00 10.00 H new ATOM 0 HG12 VAL A 1 -9.469 10.741 9.562 1.00 10.00 H new ATOM 0 HG13 VAL A 1 -9.474 11.923 10.893 1.00 10.00 H new ATOM 0 HG21 VAL A 1 -11.183 14.001 9.477 1.00 10.00 H new ATOM 0 HG22 VAL A 1 -9.703 14.358 10.399 1.00 10.00 H new ATOM 0 HG23 VAL A 1 -9.860 14.916 8.717 1.00 10.00 H new ATOM 19 N THR A 2 -7.921 10.795 7.589 1.00 10.00 N ATOM 20 CA THR A 2 -7.327 9.678 6.886 1.00 10.00 C ATOM 21 C THR A 2 -7.760 9.785 5.431 1.00 10.00 C ATOM 22 O THR A 2 -8.964 9.791 5.166 1.00 10.00 O ATOM 23 CB THR A 2 -7.825 8.362 7.475 1.00 10.00 C ATOM 24 OG1 THR A 2 -9.234 8.401 7.594 1.00 10.00 O ATOM 25 CG2 THR A 2 -7.194 8.110 8.844 1.00 10.00 C ATOM 0 H THR A 2 -8.927 10.870 7.440 1.00 10.00 H new ATOM 0 HA THR A 2 -6.241 9.700 6.976 1.00 10.00 H new ATOM 0 HB THR A 2 -7.537 7.548 6.809 1.00 10.00 H new ATOM 0 HG1 THR A 2 -9.615 8.864 6.819 1.00 10.00 H new ATOM 0 HG21 THR A 2 -7.563 7.166 9.246 1.00 10.00 H new ATOM 0 HG22 THR A 2 -6.110 8.062 8.742 1.00 10.00 H new ATOM 0 HG23 THR A 2 -7.459 8.922 9.522 1.00 10.00 H new ATOM 33 N GLU A 3 -6.791 9.855 4.524 1.00 10.00 N ATOM 34 CA GLU A 3 -6.988 10.161 3.119 1.00 10.00 C ATOM 35 C GLU A 3 -6.628 8.950 2.254 1.00 10.00 C ATOM 36 O GLU A 3 -5.812 8.117 2.652 1.00 10.00 O ATOM 37 CB GLU A 3 -6.183 11.415 2.759 1.00 10.00 C ATOM 38 CG GLU A 3 -6.831 12.689 3.331 1.00 10.00 C ATOM 39 CD GLU A 3 -6.670 12.900 4.835 1.00 10.00 C ATOM 40 OE1 GLU A 3 -5.531 13.096 5.304 1.00 10.00 O ATOM 41 OE2 GLU A 3 -7.709 12.926 5.535 1.00 10.00 O ATOM 0 H GLU A 3 -5.812 9.693 4.760 1.00 10.00 H new ATOM 0 HA GLU A 3 -8.038 10.376 2.922 1.00 10.00 H new ATOM 0 HB2 GLU A 3 -5.168 11.319 3.143 1.00 10.00 H new ATOM 0 HB3 GLU A 3 -6.107 11.500 1.675 1.00 10.00 H new ATOM 0 HG2 GLU A 3 -6.409 13.551 2.815 1.00 10.00 H new ATOM 0 HG3 GLU A 3 -7.896 12.668 3.098 1.00 10.00 H new ATOM 48 N LYS A 4 -7.317 8.842 1.111 1.00 10.00 N ATOM 49 CA LYS A 4 -7.482 7.634 0.316 1.00 10.00 C ATOM 50 C LYS A 4 -6.503 7.619 -0.860 1.00 10.00 C ATOM 51 O LYS A 4 -6.861 7.882 -2.011 1.00 10.00 O ATOM 52 CB LYS A 4 -8.943 7.563 -0.139 1.00 10.00 C ATOM 53 CG LYS A 4 -9.895 7.692 1.064 1.00 10.00 C ATOM 54 CD LYS A 4 -10.937 6.572 1.053 1.00 10.00 C ATOM 55 CE LYS A 4 -11.964 6.716 -0.078 1.00 10.00 C ATOM 56 NZ LYS A 4 -12.932 7.803 0.169 1.00 10.00 N ATOM 0 H LYS A 4 -7.798 9.642 0.700 1.00 10.00 H new ATOM 0 HA LYS A 4 -7.253 6.749 0.910 1.00 10.00 H new ATOM 0 HB2 LYS A 4 -9.145 8.359 -0.856 1.00 10.00 H new ATOM 0 HB3 LYS A 4 -9.124 6.619 -0.652 1.00 10.00 H new ATOM 0 HG2 LYS A 4 -9.324 7.655 1.992 1.00 10.00 H new ATOM 0 HG3 LYS A 4 -10.395 8.660 1.036 1.00 10.00 H new ATOM 0 HD2 LYS A 4 -10.429 5.613 0.955 1.00 10.00 H new ATOM 0 HD3 LYS A 4 -11.459 6.560 2.010 1.00 10.00 H new ATOM 0 HE2 LYS A 4 -11.442 6.906 -1.016 1.00 10.00 H new ATOM 0 HE3 LYS A 4 -12.502 5.776 -0.197 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 -13.603 7.858 -0.624 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 -13.452 7.612 1.049 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 -12.425 8.707 0.256 1.00 10.00 H new ATOM 70 N ALA A 5 -5.256 7.300 -0.531 1.00 10.00 N ATOM 71 CA ALA A 5 -4.109 7.335 -1.418 1.00 10.00 C ATOM 72 C ALA A 5 -4.086 6.102 -2.313 1.00 10.00 C ATOM 73 O ALA A 5 -4.583 5.049 -1.919 1.00 10.00 O ATOM 74 CB ALA A 5 -2.847 7.403 -0.568 1.00 10.00 C ATOM 0 H ALA A 5 -5.010 6.995 0.411 1.00 10.00 H new ATOM 0 HA ALA A 5 -4.168 8.211 -2.064 1.00 10.00 H new ATOM 0 HB1 ALA A 5 -1.972 7.430 -1.217 1.00 10.00 H new ATOM 0 HB2 ALA A 5 -2.871 8.303 0.047 1.00 10.00 H new ATOM 0 HB3 ALA A 5 -2.794 6.525 0.076 1.00 10.00 H new ATOM 80 N GLU A 6 -3.469 6.223 -3.494 1.00 10.00 N ATOM 81 CA GLU A 6 -3.290 5.136 -4.428 1.00 10.00 C ATOM 82 C GLU A 6 -1.839 5.073 -4.843 1.00 10.00 C ATOM 83 O GLU A 6 -1.160 6.102 -4.883 1.00 10.00 O ATOM 84 CB GLU A 6 -4.112 5.361 -5.685 1.00 10.00 C ATOM 85 CG GLU A 6 -5.561 4.945 -5.480 1.00 10.00 C ATOM 86 CD GLU A 6 -6.262 4.705 -6.815 1.00 10.00 C ATOM 87 OE1 GLU A 6 -5.743 5.204 -7.839 1.00 10.00 O ATOM 88 OE2 GLU A 6 -7.291 4.000 -6.790 1.00 10.00 O ATOM 0 H GLU A 6 -3.076 7.105 -3.822 1.00 10.00 H new ATOM 0 HA GLU A 6 -3.607 4.215 -3.939 1.00 10.00 H new ATOM 0 HB2 GLU A 6 -4.070 6.413 -5.966 1.00 10.00 H new ATOM 0 HB3 GLU A 6 -3.682 4.793 -6.510 1.00 10.00 H new ATOM 0 HG2 GLU A 6 -5.600 4.037 -4.878 1.00 10.00 H new ATOM 0 HG3 GLU A 6 -6.089 5.719 -4.923 1.00 10.00 H new ATOM 95 N PHE A 7 -1.414 3.858 -5.183 1.00 10.00 N ATOM 96 CA PHE A 7 -0.036 3.549 -5.506 1.00 10.00 C ATOM 97 C PHE A 7 0.013 2.564 -6.671 1.00 10.00 C ATOM 98 O PHE A 7 -0.716 1.567 -6.662 1.00 10.00 O ATOM 99 CB PHE A 7 0.684 2.979 -4.278 1.00 10.00 C ATOM 100 CG PHE A 7 0.421 3.689 -2.971 1.00 10.00 C ATOM 101 CD1 PHE A 7 -0.800 3.476 -2.310 1.00 10.00 C ATOM 102 CD2 PHE A 7 1.369 4.568 -2.422 1.00 10.00 C ATOM 103 CE1 PHE A 7 -1.146 4.257 -1.202 1.00 10.00 C ATOM 104 CE2 PHE A 7 1.060 5.280 -1.250 1.00 10.00 C ATOM 105 CZ PHE A 7 -0.206 5.143 -0.656 1.00 10.00 C ATOM 0 H PHE A 7 -2.035 3.051 -5.241 1.00 10.00 H new ATOM 0 HA PHE A 7 0.476 4.464 -5.803 1.00 10.00 H new ATOM 0 HB2 PHE A 7 0.397 1.933 -4.165 1.00 10.00 H new ATOM 0 HB3 PHE A 7 1.757 2.996 -4.469 1.00 10.00 H new ATOM 0 HD1 PHE A 7 -1.474 2.707 -2.658 1.00 10.00 H new ATOM 0 HD2 PHE A 7 2.330 4.696 -2.898 1.00 10.00 H new ATOM 0 HE1 PHE A 7 -2.132 4.178 -0.769 1.00 10.00 H new ATOM 0 HE2 PHE A 7 1.796 5.933 -0.806 1.00 10.00 H new ATOM 0 HZ PHE A 7 -0.455 5.721 0.222 1.00 10.00 H new ATOM 115 N ASP A 8 0.877 2.850 -7.647 1.00 10.00 N ATOM 116 CA ASP A 8 1.085 2.078 -8.846 1.00 10.00 C ATOM 117 C ASP A 8 2.131 1.007 -8.539 1.00 10.00 C ATOM 118 O ASP A 8 3.118 1.280 -7.847 1.00 10.00 O ATOM 119 CB ASP A 8 1.566 3.042 -9.936 1.00 10.00 C ATOM 120 CG ASP A 8 0.430 3.812 -10.606 1.00 10.00 C ATOM 121 OD1 ASP A 8 -0.593 3.173 -10.929 1.00 10.00 O ATOM 122 OD2 ASP A 8 0.593 5.038 -10.789 1.00 10.00 O ATOM 0 H ASP A 8 1.477 3.674 -7.608 1.00 10.00 H new ATOM 0 HA ASP A 8 0.176 1.584 -9.188 1.00 10.00 H new ATOM 0 HB2 ASP A 8 2.269 3.752 -9.499 1.00 10.00 H new ATOM 0 HB3 ASP A 8 2.111 2.479 -10.694 1.00 10.00 H new ATOM 127 N ILE A 9 1.854 -0.225 -8.976 1.00 10.00 N ATOM 128 CA ILE A 9 2.546 -1.440 -8.572 1.00 10.00 C ATOM 129 C ILE A 9 3.458 -1.935 -9.688 1.00 10.00 C ATOM 130 O ILE A 9 3.045 -1.962 -10.845 1.00 10.00 O ATOM 131 CB ILE A 9 1.495 -2.524 -8.254 1.00 10.00 C ATOM 132 CG1 ILE A 9 0.362 -2.016 -7.351 1.00 10.00 C ATOM 133 CG2 ILE A 9 2.154 -3.747 -7.614 1.00 10.00 C ATOM 134 CD1 ILE A 9 0.889 -1.249 -6.152 1.00 10.00 C ATOM 0 H ILE A 9 1.109 -0.404 -9.649 1.00 10.00 H new ATOM 0 HA ILE A 9 3.156 -1.230 -7.694 1.00 10.00 H new ATOM 0 HB ILE A 9 1.049 -2.803 -9.209 1.00 10.00 H new ATOM 0 HG12 ILE A 9 -0.301 -1.373 -7.929 1.00 10.00 H new ATOM 0 HG13 ILE A 9 -0.234 -2.861 -7.007 1.00 10.00 H new ATOM 0 HG21 ILE A 9 1.394 -4.498 -7.398 1.00 10.00 H new ATOM 0 HG22 ILE A 9 2.892 -4.163 -8.300 1.00 10.00 H new ATOM 0 HG23 ILE A 9 2.646 -3.452 -6.687 1.00 10.00 H new ATOM 0 HD11 ILE A 9 0.053 -0.909 -5.541 1.00 10.00 H new ATOM 0 HD12 ILE A 9 1.531 -1.899 -5.558 1.00 10.00 H new ATOM 0 HD13 ILE A 9 1.462 -0.388 -6.494 1.00 10.00 H new ATOM 146 N GLU A 10 4.663 -2.389 -9.331 1.00 10.00 N ATOM 147 CA GLU A 10 5.521 -3.156 -10.202 1.00 10.00 C ATOM 148 C GLU A 10 5.914 -4.452 -9.482 1.00 10.00 C ATOM 149 O GLU A 10 6.755 -4.431 -8.577 1.00 10.00 O ATOM 150 CB GLU A 10 6.741 -2.307 -10.555 1.00 10.00 C ATOM 151 CG GLU A 10 6.380 -1.182 -11.536 1.00 10.00 C ATOM 152 CD GLU A 10 7.609 -0.368 -11.919 1.00 10.00 C ATOM 153 OE1 GLU A 10 8.207 0.223 -10.994 1.00 10.00 O ATOM 154 OE2 GLU A 10 7.941 -0.366 -13.124 1.00 10.00 O ATOM 0 H GLU A 10 5.066 -2.224 -8.408 1.00 10.00 H new ATOM 0 HA GLU A 10 5.014 -3.423 -11.129 1.00 10.00 H new ATOM 0 HB2 GLU A 10 7.162 -1.877 -9.646 1.00 10.00 H new ATOM 0 HB3 GLU A 10 7.512 -2.941 -10.994 1.00 10.00 H new ATOM 0 HG2 GLU A 10 5.930 -1.608 -12.432 1.00 10.00 H new ATOM 0 HG3 GLU A 10 5.634 -0.528 -11.085 1.00 10.00 H new ATOM 161 N GLY A 11 5.310 -5.573 -9.897 1.00 10.00 N ATOM 162 CA GLY A 11 5.762 -6.918 -9.566 1.00 10.00 C ATOM 163 C GLY A 11 4.616 -7.838 -9.148 1.00 10.00 C ATOM 164 O GLY A 11 4.200 -8.702 -9.915 1.00 10.00 O ATOM 0 H GLY A 11 4.476 -5.563 -10.484 1.00 10.00 H new ATOM 0 HA2 GLY A 11 6.272 -7.348 -10.428 1.00 10.00 H new ATOM 0 HA3 GLY A 11 6.492 -6.863 -8.758 1.00 10.00 H new ATOM 168 N MET A 12 4.142 -7.700 -7.908 1.00 10.00 N ATOM 169 CA MET A 12 3.148 -8.605 -7.346 1.00 10.00 C ATOM 170 C MET A 12 1.817 -8.478 -8.095 1.00 10.00 C ATOM 171 O MET A 12 1.289 -7.376 -8.227 1.00 10.00 O ATOM 172 CB MET A 12 3.001 -8.338 -5.841 1.00 10.00 C ATOM 173 CG MET A 12 2.270 -7.027 -5.545 1.00 10.00 C ATOM 174 SD MET A 12 2.427 -6.423 -3.858 1.00 10.00 S ATOM 175 CE MET A 12 2.130 -4.661 -4.121 1.00 10.00 C ATOM 0 H MET A 12 4.437 -6.960 -7.271 1.00 10.00 H new ATOM 0 HA MET A 12 3.479 -9.636 -7.470 1.00 10.00 H new ATOM 0 HB2 MET A 12 2.459 -9.164 -5.380 1.00 10.00 H new ATOM 0 HB3 MET A 12 3.989 -8.310 -5.382 1.00 10.00 H new ATOM 0 HG2 MET A 12 2.644 -6.261 -6.224 1.00 10.00 H new ATOM 0 HG3 MET A 12 1.212 -7.162 -5.768 1.00 10.00 H new ATOM 0 HE1 MET A 12 2.015 -4.164 -3.158 1.00 10.00 H new ATOM 0 HE2 MET A 12 2.974 -4.226 -4.656 1.00 10.00 H new ATOM 0 HE3 MET A 12 1.221 -4.529 -4.708 1.00 10.00 H new ATOM 185 N THR A 13 1.267 -9.595 -8.578 1.00 10.00 N ATOM 186 CA THR A 13 0.017 -9.586 -9.325 1.00 10.00 C ATOM 187 C THR A 13 -0.703 -10.929 -9.164 1.00 10.00 C ATOM 188 O THR A 13 -0.868 -11.691 -10.115 1.00 10.00 O ATOM 189 CB THR A 13 0.283 -9.145 -10.779 1.00 10.00 C ATOM 190 OG1 THR A 13 -0.932 -9.036 -11.489 1.00 10.00 O ATOM 191 CG2 THR A 13 1.262 -10.031 -11.559 1.00 10.00 C ATOM 0 H THR A 13 1.676 -10.522 -8.461 1.00 10.00 H new ATOM 0 HA THR A 13 -0.677 -8.848 -8.923 1.00 10.00 H new ATOM 0 HB THR A 13 0.771 -8.174 -10.694 1.00 10.00 H new ATOM 0 HG1 THR A 13 -0.786 -8.523 -12.311 1.00 10.00 H new ATOM 0 HG21 THR A 13 1.383 -9.639 -12.569 1.00 10.00 H new ATOM 0 HG22 THR A 13 2.228 -10.037 -11.054 1.00 10.00 H new ATOM 0 HG23 THR A 13 0.872 -11.048 -11.609 1.00 10.00 H new ATOM 199 N CYS A 14 -1.138 -11.247 -7.937 1.00 10.00 N ATOM 200 CA CYS A 14 -2.015 -12.392 -7.721 1.00 10.00 C ATOM 201 C CYS A 14 -3.063 -11.989 -6.691 1.00 10.00 C ATOM 202 O CYS A 14 -4.029 -11.315 -7.029 1.00 10.00 O ATOM 203 CB CYS A 14 -1.245 -13.670 -7.330 1.00 10.00 C ATOM 204 SG CYS A 14 -0.168 -14.263 -8.658 1.00 10.00 S ATOM 0 H CYS A 14 -0.897 -10.730 -7.091 1.00 10.00 H new ATOM 0 HA CYS A 14 -2.509 -12.657 -8.656 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -0.646 -13.472 -6.441 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -1.956 -14.453 -7.066 1.00 10.00 H new ATOM 0 HG CYS A 14 -0.149 -13.392 -9.623 1.00 10.00 H new ATOM 210 N ALA A 15 -2.863 -12.369 -5.428 1.00 10.00 N ATOM 211 CA ALA A 15 -3.803 -12.112 -4.348 1.00 10.00 C ATOM 212 C ALA A 15 -3.138 -12.407 -3.011 1.00 10.00 C ATOM 213 O ALA A 15 -3.206 -11.587 -2.103 1.00 10.00 O ATOM 214 CB ALA A 15 -5.076 -12.951 -4.518 1.00 10.00 C ATOM 0 H ALA A 15 -2.028 -12.872 -5.127 1.00 10.00 H new ATOM 0 HA ALA A 15 -4.093 -11.062 -4.377 1.00 10.00 H new ATOM 0 HB1 ALA A 15 -5.763 -12.741 -3.698 1.00 10.00 H new ATOM 0 HB2 ALA A 15 -5.554 -12.700 -5.465 1.00 10.00 H new ATOM 0 HB3 ALA A 15 -4.817 -14.010 -4.512 1.00 10.00 H new ATOM 220 N ALA A 16 -2.455 -13.552 -2.902 1.00 10.00 N ATOM 221 CA ALA A 16 -1.783 -13.973 -1.685 1.00 10.00 C ATOM 222 C ALA A 16 -0.583 -13.063 -1.434 1.00 10.00 C ATOM 223 O ALA A 16 -0.315 -12.656 -0.306 1.00 10.00 O ATOM 224 CB ALA A 16 -1.347 -15.433 -1.827 1.00 10.00 C ATOM 0 H ALA A 16 -2.357 -14.215 -3.671 1.00 10.00 H new ATOM 0 HA ALA A 16 -2.459 -13.897 -0.833 1.00 10.00 H new ATOM 0 HB1 ALA A 16 -0.842 -15.752 -0.915 1.00 10.00 H new ATOM 0 HB2 ALA A 16 -2.223 -16.060 -1.995 1.00 10.00 H new ATOM 0 HB3 ALA A 16 -0.665 -15.529 -2.672 1.00 10.00 H new ATOM 230 N CYS A 17 0.131 -12.725 -2.510 1.00 10.00 N ATOM 231 CA CYS A 17 1.273 -11.838 -2.435 1.00 10.00 C ATOM 232 C CYS A 17 0.809 -10.440 -2.025 1.00 10.00 C ATOM 233 O CYS A 17 1.301 -9.874 -1.048 1.00 10.00 O ATOM 234 CB CYS A 17 2.085 -11.873 -3.740 1.00 10.00 C ATOM 235 SG CYS A 17 1.067 -11.524 -5.199 1.00 10.00 S ATOM 0 H CYS A 17 -0.073 -13.062 -3.451 1.00 10.00 H new ATOM 0 HA CYS A 17 1.962 -12.179 -1.662 1.00 10.00 H new ATOM 0 HB2 CYS A 17 2.893 -11.144 -3.681 1.00 10.00 H new ATOM 0 HB3 CYS A 17 2.548 -12.854 -3.850 1.00 10.00 H new ATOM 0 HG CYS A 17 1.809 -11.566 -6.266 1.00 10.00 H new ATOM 241 N ALA A 18 -0.208 -9.926 -2.721 1.00 10.00 N ATOM 242 CA ALA A 18 -0.861 -8.666 -2.412 1.00 10.00 C ATOM 243 C ALA A 18 -1.357 -8.670 -0.963 1.00 10.00 C ATOM 244 O ALA A 18 -1.188 -7.705 -0.227 1.00 10.00 O ATOM 245 CB ALA A 18 -2.003 -8.447 -3.407 1.00 10.00 C ATOM 0 H ALA A 18 -0.606 -10.393 -3.536 1.00 10.00 H new ATOM 0 HA ALA A 18 -0.156 -7.840 -2.507 1.00 10.00 H new ATOM 0 HB1 ALA A 18 -2.502 -7.504 -3.186 1.00 10.00 H new ATOM 0 HB2 ALA A 18 -1.602 -8.417 -4.420 1.00 10.00 H new ATOM 0 HB3 ALA A 18 -2.719 -9.264 -3.324 1.00 10.00 H new ATOM 251 N ASN A 19 -1.926 -9.788 -0.520 1.00 10.00 N ATOM 252 CA ASN A 19 -2.433 -9.926 0.845 1.00 10.00 C ATOM 253 C ASN A 19 -1.375 -9.622 1.901 1.00 10.00 C ATOM 254 O ASN A 19 -1.708 -9.167 2.994 1.00 10.00 O ATOM 255 CB ASN A 19 -3.030 -11.319 1.095 1.00 10.00 C ATOM 256 CG ASN A 19 -4.546 -11.306 0.995 1.00 10.00 C ATOM 257 OD1 ASN A 19 -5.231 -11.682 1.941 1.00 10.00 O ATOM 258 ND2 ASN A 19 -5.055 -10.890 -0.160 1.00 10.00 N ATOM 0 H ASN A 19 -2.049 -10.622 -1.094 1.00 10.00 H new ATOM 0 HA ASN A 19 -3.224 -9.182 0.940 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -2.623 -12.025 0.371 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -2.733 -11.670 2.083 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -6.066 -10.872 -0.295 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -4.435 -10.589 -0.912 1.00 10.00 H new ATOM 265 N ARG A 20 -0.098 -9.890 1.622 1.00 10.00 N ATOM 266 CA ARG A 20 0.959 -9.645 2.585 1.00 10.00 C ATOM 267 C ARG A 20 1.151 -8.138 2.753 1.00 10.00 C ATOM 268 O ARG A 20 1.486 -7.674 3.845 1.00 10.00 O ATOM 269 CB ARG A 20 2.233 -10.391 2.154 1.00 10.00 C ATOM 270 CG ARG A 20 3.021 -10.897 3.373 1.00 10.00 C ATOM 271 CD ARG A 20 3.995 -12.021 2.991 1.00 10.00 C ATOM 272 NE ARG A 20 4.478 -12.725 4.192 1.00 10.00 N ATOM 273 CZ ARG A 20 4.994 -13.966 4.206 1.00 10.00 C ATOM 274 NH1 ARG A 20 5.262 -14.592 3.055 1.00 10.00 N ATOM 275 NH2 ARG A 20 5.231 -14.578 5.373 1.00 10.00 N ATOM 0 H ARG A 20 0.222 -10.277 0.734 1.00 10.00 H new ATOM 0 HA ARG A 20 0.694 -10.036 3.567 1.00 10.00 H new ATOM 0 HB2 ARG A 20 1.966 -11.233 1.515 1.00 10.00 H new ATOM 0 HB3 ARG A 20 2.863 -9.728 1.561 1.00 10.00 H new ATOM 0 HG2 ARG A 20 3.575 -10.070 3.817 1.00 10.00 H new ATOM 0 HG3 ARG A 20 2.326 -11.259 4.131 1.00 10.00 H new ATOM 0 HD2 ARG A 20 3.499 -12.727 2.325 1.00 10.00 H new ATOM 0 HD3 ARG A 20 4.840 -11.605 2.443 1.00 10.00 H new ATOM 0 HE ARG A 20 4.416 -12.232 5.083 1.00 10.00 H new ATOM 0 HH11 ARG A 20 5.075 -14.128 2.166 1.00 10.00 H new ATOM 0 HH12 ARG A 20 5.654 -15.534 3.066 1.00 10.00 H new ATOM 0 HH21 ARG A 20 5.020 -14.102 6.250 1.00 10.00 H new ATOM 0 HH22 ARG A 20 5.623 -15.520 5.385 1.00 10.00 H new ATOM 289 N ILE A 21 0.877 -7.371 1.690 1.00 10.00 N ATOM 290 CA ILE A 21 0.883 -5.920 1.748 1.00 10.00 C ATOM 291 C ILE A 21 -0.061 -5.468 2.838 1.00 10.00 C ATOM 292 O ILE A 21 0.373 -4.745 3.719 1.00 10.00 O ATOM 293 CB ILE A 21 0.473 -5.276 0.416 1.00 10.00 C ATOM 294 CG1 ILE A 21 1.297 -5.823 -0.748 1.00 10.00 C ATOM 295 CG2 ILE A 21 0.580 -3.750 0.497 1.00 10.00 C ATOM 296 CD1 ILE A 21 2.800 -5.784 -0.452 1.00 10.00 C ATOM 0 H ILE A 21 0.646 -7.747 0.770 1.00 10.00 H new ATOM 0 HA ILE A 21 1.903 -5.600 1.960 1.00 10.00 H new ATOM 0 HB ILE A 21 -0.569 -5.536 0.228 1.00 10.00 H new ATOM 0 HG12 ILE A 21 0.995 -6.849 -0.956 1.00 10.00 H new ATOM 0 HG13 ILE A 21 1.089 -5.241 -1.646 1.00 10.00 H new ATOM 0 HG21 ILE A 21 0.285 -3.313 -0.457 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -0.078 -3.380 1.284 1.00 10.00 H new ATOM 0 HG23 ILE A 21 1.609 -3.469 0.722 1.00 10.00 H new ATOM 0 HD11 ILE A 21 3.349 -6.182 -1.305 1.00 10.00 H new ATOM 0 HD12 ILE A 21 3.108 -4.755 -0.270 1.00 10.00 H new ATOM 0 HD13 ILE A 21 3.013 -6.388 0.430 1.00 10.00 H new ATOM 308 N GLU A 22 -1.322 -5.905 2.794 1.00 10.00 N ATOM 309 CA GLU A 22 -2.341 -5.509 3.757 1.00 10.00 C ATOM 310 C GLU A 22 -1.779 -5.541 5.177 1.00 10.00 C ATOM 311 O GLU A 22 -1.921 -4.585 5.927 1.00 10.00 O ATOM 312 CB GLU A 22 -3.520 -6.475 3.713 1.00 10.00 C ATOM 313 CG GLU A 22 -4.188 -6.681 2.350 1.00 10.00 C ATOM 314 CD GLU A 22 -5.132 -7.873 2.435 1.00 10.00 C ATOM 315 OE1 GLU A 22 -4.726 -8.858 3.100 1.00 10.00 O ATOM 316 OE2 GLU A 22 -6.227 -7.784 1.847 1.00 10.00 O ATOM 0 H GLU A 22 -1.663 -6.549 2.081 1.00 10.00 H new ATOM 0 HA GLU A 22 -2.661 -4.500 3.496 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -3.179 -7.445 4.075 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -4.277 -6.121 4.413 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -4.738 -5.785 2.061 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -3.433 -6.853 1.583 1.00 10.00 H new ATOM 323 N LYS A 23 -1.134 -6.652 5.544 1.00 10.00 N ATOM 324 CA LYS A 23 -0.540 -6.828 6.852 1.00 10.00 C ATOM 325 C LYS A 23 0.611 -5.831 7.039 1.00 10.00 C ATOM 326 O LYS A 23 0.651 -5.099 8.031 1.00 10.00 O ATOM 327 CB LYS A 23 -0.093 -8.292 7.005 1.00 10.00 C ATOM 328 CG LYS A 23 -1.168 -9.182 7.658 1.00 10.00 C ATOM 329 CD LYS A 23 -2.477 -9.349 6.859 1.00 10.00 C ATOM 330 CE LYS A 23 -2.350 -10.360 5.707 1.00 10.00 C ATOM 331 NZ LYS A 23 -3.512 -10.348 4.778 1.00 10.00 N ATOM 0 H LYS A 23 -1.014 -7.456 4.928 1.00 10.00 H new ATOM 0 HA LYS A 23 -1.266 -6.620 7.638 1.00 10.00 H new ATOM 0 HB2 LYS A 23 0.158 -8.695 6.024 1.00 10.00 H new ATOM 0 HB3 LYS A 23 0.816 -8.328 7.606 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -0.740 -10.170 7.829 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -1.412 -8.767 8.636 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -3.270 -9.672 7.534 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -2.776 -8.382 6.455 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -1.442 -10.145 5.144 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -2.238 -11.361 6.123 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -3.560 -11.255 4.271 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -4.388 -10.208 5.320 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -3.401 -9.573 4.093 1.00 10.00 H new ATOM 345 N ARG A 24 1.551 -5.795 6.090 1.00 10.00 N ATOM 346 CA ARG A 24 2.743 -4.956 6.207 1.00 10.00 C ATOM 347 C ARG A 24 2.410 -3.451 6.189 1.00 10.00 C ATOM 348 O ARG A 24 3.190 -2.645 6.690 1.00 10.00 O ATOM 349 CB ARG A 24 3.793 -5.386 5.161 1.00 10.00 C ATOM 350 CG ARG A 24 5.130 -5.799 5.806 1.00 10.00 C ATOM 351 CD ARG A 24 6.002 -4.576 6.111 1.00 10.00 C ATOM 352 NE ARG A 24 7.142 -4.876 6.994 1.00 10.00 N ATOM 353 CZ ARG A 24 8.164 -4.022 7.198 1.00 10.00 C ATOM 354 NH1 ARG A 24 8.147 -2.826 6.605 1.00 10.00 N ATOM 355 NH2 ARG A 24 9.183 -4.370 7.992 1.00 10.00 N ATOM 0 H ARG A 24 1.507 -6.340 5.229 1.00 10.00 H new ATOM 0 HA ARG A 24 3.190 -5.114 7.188 1.00 10.00 H new ATOM 0 HB2 ARG A 24 3.401 -6.220 4.578 1.00 10.00 H new ATOM 0 HB3 ARG A 24 3.967 -4.565 4.466 1.00 10.00 H new ATOM 0 HG2 ARG A 24 4.937 -6.350 6.727 1.00 10.00 H new ATOM 0 HG3 ARG A 24 5.666 -6.473 5.138 1.00 10.00 H new ATOM 0 HD2 ARG A 24 6.376 -4.163 5.174 1.00 10.00 H new ATOM 0 HD3 ARG A 24 5.385 -3.806 6.575 1.00 10.00 H new ATOM 0 HE ARG A 24 7.159 -5.775 7.475 1.00 10.00 H new ATOM 0 HH11 ARG A 24 7.365 -2.566 6.004 1.00 10.00 H new ATOM 0 HH12 ARG A 24 8.916 -2.172 6.753 1.00 10.00 H new ATOM 0 HH21 ARG A 24 9.188 -5.284 8.445 1.00 10.00 H new ATOM 0 HH22 ARG A 24 9.955 -3.721 8.144 1.00 10.00 H new ATOM 369 N LEU A 25 1.253 -3.071 5.644 1.00 10.00 N ATOM 370 CA LEU A 25 0.681 -1.737 5.663 1.00 10.00 C ATOM 371 C LEU A 25 -0.148 -1.502 6.927 1.00 10.00 C ATOM 372 O LEU A 25 -0.052 -0.445 7.538 1.00 10.00 O ATOM 373 CB LEU A 25 -0.149 -1.532 4.384 1.00 10.00 C ATOM 374 CG LEU A 25 0.472 -0.408 3.558 1.00 10.00 C ATOM 375 CD1 LEU A 25 0.040 -0.489 2.094 1.00 10.00 C ATOM 376 CD2 LEU A 25 0.027 0.924 4.183 1.00 10.00 C ATOM 0 H LEU A 25 0.658 -3.734 5.148 1.00 10.00 H new ATOM 0 HA LEU A 25 1.483 -0.999 5.684 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -0.177 -2.454 3.803 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -1.179 -1.285 4.640 1.00 10.00 H new ATOM 0 HG LEU A 25 1.559 -0.494 3.569 1.00 10.00 H new ATOM 0 HD11 LEU A 25 0.499 0.325 1.534 1.00 10.00 H new ATOM 0 HD12 LEU A 25 0.357 -1.443 1.673 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -1.045 -0.407 2.030 1.00 10.00 H new ATOM 0 HD21 LEU A 25 0.453 1.752 3.617 1.00 10.00 H new ATOM 0 HD22 LEU A 25 -1.061 0.991 4.161 1.00 10.00 H new ATOM 0 HD23 LEU A 25 0.372 0.975 5.216 1.00 10.00 H new ATOM 388 N ASN A 26 -0.933 -2.493 7.353 1.00 10.00 N ATOM 389 CA ASN A 26 -1.710 -2.443 8.589 1.00 10.00 C ATOM 390 C ASN A 26 -0.787 -2.201 9.784 1.00 10.00 C ATOM 391 O ASN A 26 -1.187 -1.617 10.785 1.00 10.00 O ATOM 392 CB ASN A 26 -2.513 -3.738 8.756 1.00 10.00 C ATOM 393 CG ASN A 26 -3.177 -3.831 10.126 1.00 10.00 C ATOM 394 OD1 ASN A 26 -4.249 -3.284 10.345 1.00 10.00 O ATOM 395 ND2 ASN A 26 -2.556 -4.557 11.054 1.00 10.00 N ATOM 0 H ASN A 26 -1.047 -3.367 6.839 1.00 10.00 H new ATOM 0 HA ASN A 26 -2.414 -1.613 8.538 1.00 10.00 H new ATOM 0 HB2 ASN A 26 -3.276 -3.793 7.980 1.00 10.00 H new ATOM 0 HB3 ASN A 26 -1.853 -4.594 8.615 1.00 10.00 H new ATOM 0 HD21 ASN A 26 -2.974 -4.669 11.978 1.00 10.00 H new ATOM 0 HD22 ASN A 26 -1.663 -5.001 10.841 1.00 10.00 H new ATOM 402 N LYS A 27 0.464 -2.657 9.674 1.00 10.00 N ATOM 403 CA LYS A 27 1.516 -2.318 10.619 1.00 10.00 C ATOM 404 C LYS A 27 1.699 -0.811 10.833 1.00 10.00 C ATOM 405 O LYS A 27 2.035 -0.413 11.945 1.00 10.00 O ATOM 406 CB LYS A 27 2.832 -2.957 10.164 1.00 10.00 C ATOM 407 CG LYS A 27 2.970 -4.434 10.552 1.00 10.00 C ATOM 408 CD LYS A 27 2.941 -4.599 12.080 1.00 10.00 C ATOM 409 CE LYS A 27 1.605 -5.199 12.549 1.00 10.00 C ATOM 410 NZ LYS A 27 1.352 -4.919 13.980 1.00 10.00 N ATOM 0 H LYS A 27 0.770 -3.274 8.922 1.00 10.00 H new ATOM 0 HA LYS A 27 1.211 -2.717 11.586 1.00 10.00 H new ATOM 0 HB2 LYS A 27 2.913 -2.867 9.081 1.00 10.00 H new ATOM 0 HB3 LYS A 27 3.664 -2.399 10.594 1.00 10.00 H new ATOM 0 HG2 LYS A 27 2.161 -5.010 10.104 1.00 10.00 H new ATOM 0 HG3 LYS A 27 3.903 -4.834 10.156 1.00 10.00 H new ATOM 0 HD2 LYS A 27 3.762 -5.243 12.395 1.00 10.00 H new ATOM 0 HD3 LYS A 27 3.095 -3.631 12.556 1.00 10.00 H new ATOM 0 HE2 LYS A 27 0.792 -4.790 11.949 1.00 10.00 H new ATOM 0 HE3 LYS A 27 1.612 -6.277 12.385 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 0.443 -5.339 14.260 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 2.115 -5.330 14.554 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 1.320 -3.891 14.132 1.00 10.00 H new ATOM 424 N ILE A 28 1.535 0.016 9.799 1.00 10.00 N ATOM 425 CA ILE A 28 1.665 1.459 9.945 1.00 10.00 C ATOM 426 C ILE A 28 0.614 1.962 10.940 1.00 10.00 C ATOM 427 O ILE A 28 -0.573 1.718 10.760 1.00 10.00 O ATOM 428 CB ILE A 28 1.521 2.151 8.577 1.00 10.00 C ATOM 429 CG1 ILE A 28 2.499 1.624 7.512 1.00 10.00 C ATOM 430 CG2 ILE A 28 1.672 3.667 8.727 1.00 10.00 C ATOM 431 CD1 ILE A 28 3.942 1.484 7.996 1.00 10.00 C ATOM 0 H ILE A 28 1.312 -0.293 8.853 1.00 10.00 H new ATOM 0 HA ILE A 28 2.655 1.702 10.332 1.00 10.00 H new ATOM 0 HB ILE A 28 0.519 1.911 8.221 1.00 10.00 H new ATOM 0 HG12 ILE A 28 2.149 0.652 7.164 1.00 10.00 H new ATOM 0 HG13 ILE A 28 2.480 2.296 6.654 1.00 10.00 H new ATOM 0 HG21 ILE A 28 1.568 4.141 7.751 1.00 10.00 H new ATOM 0 HG22 ILE A 28 0.901 4.045 9.398 1.00 10.00 H new ATOM 0 HG23 ILE A 28 2.655 3.896 9.138 1.00 10.00 H new ATOM 0 HD11 ILE A 28 4.563 1.107 7.184 1.00 10.00 H new ATOM 0 HD12 ILE A 28 4.314 2.457 8.316 1.00 10.00 H new ATOM 0 HD13 ILE A 28 3.979 0.788 8.834 1.00 10.00 H new ATOM 443 N GLU A 29 1.042 2.672 11.987 1.00 10.00 N ATOM 444 CA GLU A 29 0.136 3.134 13.030 1.00 10.00 C ATOM 445 C GLU A 29 -0.977 4.042 12.496 1.00 10.00 C ATOM 446 O GLU A 29 -2.149 3.773 12.754 1.00 10.00 O ATOM 447 CB GLU A 29 0.918 3.786 14.175 1.00 10.00 C ATOM 448 CG GLU A 29 1.742 2.727 14.924 1.00 10.00 C ATOM 449 CD GLU A 29 2.421 3.279 16.172 1.00 10.00 C ATOM 450 OE1 GLU A 29 1.877 4.250 16.739 1.00 10.00 O ATOM 451 OE2 GLU A 29 3.461 2.698 16.546 1.00 10.00 O ATOM 0 H GLU A 29 2.016 2.938 12.131 1.00 10.00 H new ATOM 0 HA GLU A 29 -0.373 2.256 13.427 1.00 10.00 H new ATOM 0 HB2 GLU A 29 1.578 4.559 13.781 1.00 10.00 H new ATOM 0 HB3 GLU A 29 0.229 4.275 14.863 1.00 10.00 H new ATOM 0 HG2 GLU A 29 1.091 1.900 15.206 1.00 10.00 H new ATOM 0 HG3 GLU A 29 2.500 2.322 14.253 1.00 10.00 H new ATOM 458 N GLY A 30 -0.670 5.114 11.754 1.00 10.00 N ATOM 459 CA GLY A 30 -1.684 6.076 11.365 1.00 10.00 C ATOM 460 C GLY A 30 -2.481 5.611 10.151 1.00 10.00 C ATOM 461 O GLY A 30 -2.728 6.398 9.245 1.00 10.00 O ATOM 0 H GLY A 30 0.269 5.328 11.418 1.00 10.00 H new ATOM 0 HA2 GLY A 30 -2.363 6.244 12.201 1.00 10.00 H new ATOM 0 HA3 GLY A 30 -1.210 7.032 11.142 1.00 10.00 H new ATOM 465 N VAL A 31 -2.870 4.341 10.111 1.00 10.00 N ATOM 466 CA VAL A 31 -3.573 3.728 9.006 1.00 10.00 C ATOM 467 C VAL A 31 -5.022 3.487 9.418 1.00 10.00 C ATOM 468 O VAL A 31 -5.313 3.340 10.604 1.00 10.00 O ATOM 469 CB VAL A 31 -2.817 2.446 8.635 1.00 10.00 C ATOM 470 CG1 VAL A 31 -3.210 1.246 9.504 1.00 10.00 C ATOM 471 CG2 VAL A 31 -2.976 2.137 7.153 1.00 10.00 C ATOM 0 H VAL A 31 -2.695 3.693 10.879 1.00 10.00 H new ATOM 0 HA VAL A 31 -3.606 4.364 8.121 1.00 10.00 H new ATOM 0 HB VAL A 31 -1.762 2.631 8.839 1.00 10.00 H new ATOM 0 HG11 VAL A 31 -2.641 0.370 9.193 1.00 10.00 H new ATOM 0 HG12 VAL A 31 -2.993 1.467 10.549 1.00 10.00 H new ATOM 0 HG13 VAL A 31 -4.275 1.047 9.389 1.00 10.00 H new ATOM 0 HG21 VAL A 31 -2.432 1.224 6.911 1.00 10.00 H new ATOM 0 HG22 VAL A 31 -4.032 2.002 6.921 1.00 10.00 H new ATOM 0 HG23 VAL A 31 -2.578 2.963 6.564 1.00 10.00 H new ATOM 481 N ALA A 32 -5.928 3.460 8.442 1.00 10.00 N ATOM 482 CA ALA A 32 -7.327 3.130 8.658 1.00 10.00 C ATOM 483 C ALA A 32 -7.663 1.858 7.893 1.00 10.00 C ATOM 484 O ALA A 32 -8.149 0.898 8.485 1.00 10.00 O ATOM 485 CB ALA A 32 -8.210 4.304 8.238 1.00 10.00 C ATOM 0 H ALA A 32 -5.704 3.670 7.469 1.00 10.00 H new ATOM 0 HA ALA A 32 -7.514 2.948 9.716 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -9.257 4.049 8.403 1.00 10.00 H new ATOM 0 HB2 ALA A 32 -7.953 5.183 8.830 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -8.051 4.519 7.181 1.00 10.00 H new ATOM 491 N ASN A 33 -7.406 1.841 6.582 1.00 10.00 N ATOM 492 CA ASN A 33 -7.674 0.682 5.742 1.00 10.00 C ATOM 493 C ASN A 33 -6.625 0.622 4.633 1.00 10.00 C ATOM 494 O ASN A 33 -5.972 1.626 4.346 1.00 10.00 O ATOM 495 CB ASN A 33 -9.084 0.755 5.136 1.00 10.00 C ATOM 496 CG ASN A 33 -10.207 0.871 6.160 1.00 10.00 C ATOM 497 OD1 ASN A 33 -10.724 -0.131 6.643 1.00 10.00 O ATOM 498 ND2 ASN A 33 -10.621 2.097 6.474 1.00 10.00 N ATOM 0 H ASN A 33 -7.006 2.633 6.078 1.00 10.00 H new ATOM 0 HA ASN A 33 -7.621 -0.220 6.352 1.00 10.00 H new ATOM 0 HB2 ASN A 33 -9.133 1.611 4.464 1.00 10.00 H new ATOM 0 HB3 ASN A 33 -9.252 -0.136 4.531 1.00 10.00 H new ATOM 0 HD21 ASN A 33 -11.389 2.223 7.134 1.00 10.00 H new ATOM 0 HD22 ASN A 33 -10.170 2.910 6.055 1.00 10.00 H new ATOM 505 N ALA A 34 -6.456 -0.557 4.026 1.00 10.00 N ATOM 506 CA ALA A 34 -5.584 -0.755 2.870 1.00 10.00 C ATOM 507 C ALA A 34 -6.051 -1.922 1.982 1.00 10.00 C ATOM 508 O ALA A 34 -5.317 -2.897 1.816 1.00 10.00 O ATOM 509 CB ALA A 34 -4.144 -0.962 3.357 1.00 10.00 C ATOM 0 H ALA A 34 -6.928 -1.409 4.329 1.00 10.00 H new ATOM 0 HA ALA A 34 -5.629 0.137 2.245 1.00 10.00 H new ATOM 0 HB1 ALA A 34 -3.488 -1.110 2.499 1.00 10.00 H new ATOM 0 HB2 ALA A 34 -3.819 -0.084 3.915 1.00 10.00 H new ATOM 0 HB3 ALA A 34 -4.101 -1.839 4.003 1.00 10.00 H new ATOM 515 N PRO A 35 -7.262 -1.863 1.403 1.00 10.00 N ATOM 516 CA PRO A 35 -7.804 -2.945 0.598 1.00 10.00 C ATOM 517 C PRO A 35 -7.192 -2.897 -0.807 1.00 10.00 C ATOM 518 O PRO A 35 -7.805 -2.404 -1.749 1.00 10.00 O ATOM 519 CB PRO A 35 -9.316 -2.703 0.596 1.00 10.00 C ATOM 520 CG PRO A 35 -9.417 -1.177 0.638 1.00 10.00 C ATOM 521 CD PRO A 35 -8.213 -0.765 1.489 1.00 10.00 C ATOM 0 HA PRO A 35 -7.575 -3.938 0.985 1.00 10.00 H new ATOM 0 HB2 PRO A 35 -9.790 -3.115 -0.295 1.00 10.00 H new ATOM 0 HB3 PRO A 35 -9.800 -3.164 1.457 1.00 10.00 H new ATOM 0 HG2 PRO A 35 -9.370 -0.744 -0.361 1.00 10.00 H new ATOM 0 HG3 PRO A 35 -10.356 -0.849 1.084 1.00 10.00 H new ATOM 0 HD2 PRO A 35 -7.773 0.161 1.119 1.00 10.00 H new ATOM 0 HD3 PRO A 35 -8.509 -0.586 2.523 1.00 10.00 H new ATOM 529 N VAL A 36 -5.960 -3.389 -0.942 1.00 10.00 N ATOM 530 CA VAL A 36 -5.229 -3.383 -2.200 1.00 10.00 C ATOM 531 C VAL A 36 -5.982 -4.144 -3.303 1.00 10.00 C ATOM 532 O VAL A 36 -6.683 -5.117 -3.022 1.00 10.00 O ATOM 533 CB VAL A 36 -3.813 -3.941 -1.980 1.00 10.00 C ATOM 534 CG1 VAL A 36 -3.189 -3.422 -0.676 1.00 10.00 C ATOM 535 CG2 VAL A 36 -3.792 -5.469 -1.957 1.00 10.00 C ATOM 0 H VAL A 36 -5.440 -3.806 -0.170 1.00 10.00 H new ATOM 0 HA VAL A 36 -5.144 -2.353 -2.547 1.00 10.00 H new ATOM 0 HB VAL A 36 -3.224 -3.590 -2.827 1.00 10.00 H new ATOM 0 HG11 VAL A 36 -2.189 -3.840 -0.559 1.00 10.00 H new ATOM 0 HG12 VAL A 36 -3.125 -2.334 -0.711 1.00 10.00 H new ATOM 0 HG13 VAL A 36 -3.809 -3.722 0.169 1.00 10.00 H new ATOM 0 HG21 VAL A 36 -2.771 -5.817 -1.799 1.00 10.00 H new ATOM 0 HG22 VAL A 36 -4.427 -5.829 -1.148 1.00 10.00 H new ATOM 0 HG23 VAL A 36 -4.163 -5.852 -2.908 1.00 10.00 H new ATOM 545 N ASN A 37 -5.808 -3.736 -4.564 1.00 10.00 N ATOM 546 CA ASN A 37 -6.601 -4.299 -5.658 1.00 10.00 C ATOM 547 C ASN A 37 -5.882 -5.472 -6.327 1.00 10.00 C ATOM 548 O ASN A 37 -5.108 -5.288 -7.270 1.00 10.00 O ATOM 549 CB ASN A 37 -6.958 -3.234 -6.694 1.00 10.00 C ATOM 550 CG ASN A 37 -7.894 -2.146 -6.171 1.00 10.00 C ATOM 551 OD1 ASN A 37 -8.658 -2.368 -5.239 1.00 10.00 O ATOM 552 ND2 ASN A 37 -7.875 -0.967 -6.785 1.00 10.00 N ATOM 0 H ASN A 37 -5.133 -3.026 -4.849 1.00 10.00 H new ATOM 0 HA ASN A 37 -7.526 -4.673 -5.220 1.00 10.00 H new ATOM 0 HB2 ASN A 37 -6.040 -2.768 -7.052 1.00 10.00 H new ATOM 0 HB3 ASN A 37 -7.424 -3.718 -7.552 1.00 10.00 H new ATOM 0 HD21 ASN A 37 -8.505 -0.224 -6.482 1.00 10.00 H new ATOM 0 HD22 ASN A 37 -7.230 -0.805 -7.559 1.00 10.00 H new ATOM 559 N PHE A 38 -6.201 -6.689 -5.879 1.00 10.00 N ATOM 560 CA PHE A 38 -5.644 -7.966 -6.323 1.00 10.00 C ATOM 561 C PHE A 38 -6.160 -8.391 -7.707 1.00 10.00 C ATOM 562 O PHE A 38 -6.643 -9.505 -7.892 1.00 10.00 O ATOM 563 CB PHE A 38 -5.908 -9.031 -5.243 1.00 10.00 C ATOM 564 CG PHE A 38 -7.302 -9.026 -4.634 1.00 10.00 C ATOM 565 CD1 PHE A 38 -8.354 -9.729 -5.250 1.00 10.00 C ATOM 566 CD2 PHE A 38 -7.551 -8.285 -3.462 1.00 10.00 C ATOM 567 CE1 PHE A 38 -9.657 -9.651 -4.727 1.00 10.00 C ATOM 568 CE2 PHE A 38 -8.856 -8.196 -2.948 1.00 10.00 C ATOM 569 CZ PHE A 38 -9.911 -8.876 -3.582 1.00 10.00 C ATOM 0 H PHE A 38 -6.902 -6.815 -5.148 1.00 10.00 H new ATOM 0 HA PHE A 38 -4.568 -7.851 -6.450 1.00 10.00 H new ATOM 0 HB2 PHE A 38 -5.725 -10.014 -5.677 1.00 10.00 H new ATOM 0 HB3 PHE A 38 -5.182 -8.896 -4.442 1.00 10.00 H new ATOM 0 HD1 PHE A 38 -8.160 -10.330 -6.126 1.00 10.00 H new ATOM 0 HD2 PHE A 38 -6.738 -7.784 -2.958 1.00 10.00 H new ATOM 0 HE1 PHE A 38 -10.463 -10.187 -5.205 1.00 10.00 H new ATOM 0 HE2 PHE A 38 -9.049 -7.605 -2.065 1.00 10.00 H new ATOM 0 HZ PHE A 38 -10.915 -8.803 -3.190 1.00 10.00 H new ATOM 579 N ALA A 39 -6.017 -7.506 -8.692 1.00 10.00 N ATOM 580 CA ALA A 39 -6.250 -7.775 -10.106 1.00 10.00 C ATOM 581 C ALA A 39 -5.796 -6.573 -10.927 1.00 10.00 C ATOM 582 O ALA A 39 -5.192 -6.716 -11.983 1.00 10.00 O ATOM 583 CB ALA A 39 -7.735 -8.035 -10.374 1.00 10.00 C ATOM 0 H ALA A 39 -5.724 -6.545 -8.518 1.00 10.00 H new ATOM 0 HA ALA A 39 -5.684 -8.662 -10.389 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -7.884 -8.233 -11.435 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -8.064 -8.897 -9.794 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -8.316 -7.160 -10.083 1.00 10.00 H new ATOM 589 N LEU A 40 -6.132 -5.377 -10.437 1.00 10.00 N ATOM 590 CA LEU A 40 -5.954 -4.134 -11.171 1.00 10.00 C ATOM 591 C LEU A 40 -4.504 -3.653 -11.098 1.00 10.00 C ATOM 592 O LEU A 40 -4.095 -2.824 -11.906 1.00 10.00 O ATOM 593 CB LEU A 40 -6.911 -3.070 -10.617 1.00 10.00 C ATOM 594 CG LEU A 40 -8.339 -3.590 -10.374 1.00 10.00 C ATOM 595 CD1 LEU A 40 -9.234 -2.401 -10.025 1.00 10.00 C ATOM 596 CD2 LEU A 40 -8.908 -4.353 -11.574 1.00 10.00 C ATOM 0 H LEU A 40 -6.539 -5.249 -9.510 1.00 10.00 H new ATOM 0 HA LEU A 40 -6.186 -4.310 -12.221 1.00 10.00 H new ATOM 0 HB2 LEU A 40 -6.509 -2.685 -9.680 1.00 10.00 H new ATOM 0 HB3 LEU A 40 -6.952 -2.233 -11.314 1.00 10.00 H new ATOM 0 HG LEU A 40 -8.305 -4.303 -9.550 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -10.251 -2.751 -9.849 1.00 10.00 H new ATOM 0 HD12 LEU A 40 -8.857 -1.914 -9.126 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -9.232 -1.690 -10.851 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -9.917 -4.695 -11.343 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -8.938 -3.695 -12.443 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -8.275 -5.213 -11.792 1.00 10.00 H new ATOM 608 N GLU A 41 -3.757 -4.150 -10.106 1.00 10.00 N ATOM 609 CA GLU A 41 -2.376 -3.771 -9.836 1.00 10.00 C ATOM 610 C GLU A 41 -2.334 -2.301 -9.436 1.00 10.00 C ATOM 611 O GLU A 41 -1.571 -1.500 -9.969 1.00 10.00 O ATOM 612 CB GLU A 41 -1.422 -4.125 -10.988 1.00 10.00 C ATOM 613 CG GLU A 41 -1.310 -5.644 -11.170 1.00 10.00 C ATOM 614 CD GLU A 41 -0.166 -6.027 -12.101 1.00 10.00 C ATOM 615 OE1 GLU A 41 0.948 -5.497 -11.900 1.00 10.00 O ATOM 616 OE2 GLU A 41 -0.406 -6.912 -12.953 1.00 10.00 O ATOM 0 H GLU A 41 -4.112 -4.848 -9.452 1.00 10.00 H new ATOM 0 HA GLU A 41 -2.003 -4.361 -8.999 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -1.780 -3.671 -11.912 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -0.436 -3.707 -10.788 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -1.159 -6.115 -10.199 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -2.247 -6.031 -11.570 1.00 10.00 H new ATOM 623 N THR A 42 -3.154 -1.983 -8.435 1.00 10.00 N ATOM 624 CA THR A 42 -3.157 -0.719 -7.731 1.00 10.00 C ATOM 625 C THR A 42 -3.328 -1.043 -6.256 1.00 10.00 C ATOM 626 O THR A 42 -4.290 -1.717 -5.881 1.00 10.00 O ATOM 627 CB THR A 42 -4.316 0.156 -8.211 1.00 10.00 C ATOM 628 OG1 THR A 42 -5.511 -0.590 -8.153 1.00 10.00 O ATOM 629 CG2 THR A 42 -4.049 0.675 -9.618 1.00 10.00 C ATOM 0 H THR A 42 -3.860 -2.631 -8.085 1.00 10.00 H new ATOM 0 HA THR A 42 -2.232 -0.171 -7.912 1.00 10.00 H new ATOM 0 HB THR A 42 -4.414 1.025 -7.561 1.00 10.00 H new ATOM 0 HG1 THR A 42 -5.985 -0.516 -9.008 1.00 10.00 H new ATOM 0 HG21 THR A 42 -4.885 1.295 -9.942 1.00 10.00 H new ATOM 0 HG22 THR A 42 -3.135 1.268 -9.619 1.00 10.00 H new ATOM 0 HG23 THR A 42 -3.936 -0.167 -10.301 1.00 10.00 H new ATOM 637 N VAL A 43 -2.423 -0.554 -5.422 1.00 10.00 N ATOM 638 CA VAL A 43 -2.641 -0.562 -3.982 1.00 10.00 C ATOM 639 C VAL A 43 -3.383 0.730 -3.655 1.00 10.00 C ATOM 640 O VAL A 43 -3.137 1.760 -4.285 1.00 10.00 O ATOM 641 CB VAL A 43 -1.302 -0.688 -3.247 1.00 10.00 C ATOM 642 CG1 VAL A 43 -1.333 -0.266 -1.772 1.00 10.00 C ATOM 643 CG2 VAL A 43 -0.717 -2.104 -3.348 1.00 10.00 C ATOM 0 H VAL A 43 -1.534 -0.148 -5.715 1.00 10.00 H new ATOM 0 HA VAL A 43 -3.236 -1.415 -3.656 1.00 10.00 H new ATOM 0 HB VAL A 43 -0.659 0.021 -3.769 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -0.341 -0.390 -1.337 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -1.633 0.779 -1.699 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -2.047 -0.887 -1.231 1.00 10.00 H new ATOM 0 HG21 VAL A 43 0.231 -2.145 -2.812 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -1.413 -2.818 -2.908 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -0.553 -2.356 -4.396 1.00 10.00 H new ATOM 653 N THR A 44 -4.272 0.658 -2.667 1.00 10.00 N ATOM 654 CA THR A 44 -5.066 1.756 -2.164 1.00 10.00 C ATOM 655 C THR A 44 -4.855 1.764 -0.652 1.00 10.00 C ATOM 656 O THR A 44 -4.885 0.688 -0.053 1.00 10.00 O ATOM 657 CB THR A 44 -6.529 1.484 -2.529 1.00 10.00 C ATOM 658 OG1 THR A 44 -6.671 1.401 -3.935 1.00 10.00 O ATOM 659 CG2 THR A 44 -7.438 2.570 -1.965 1.00 10.00 C ATOM 0 H THR A 44 -4.461 -0.216 -2.176 1.00 10.00 H new ATOM 0 HA THR A 44 -4.789 2.723 -2.583 1.00 10.00 H new ATOM 0 HB THR A 44 -6.825 0.532 -2.088 1.00 10.00 H new ATOM 0 HG1 THR A 44 -7.609 1.225 -4.159 1.00 10.00 H new ATOM 0 HG21 THR A 44 -8.472 2.356 -2.236 1.00 10.00 H new ATOM 0 HG22 THR A 44 -7.346 2.594 -0.879 1.00 10.00 H new ATOM 0 HG23 THR A 44 -7.148 3.537 -2.376 1.00 10.00 H new ATOM 667 N VAL A 45 -4.595 2.931 -0.050 1.00 10.00 N ATOM 668 CA VAL A 45 -4.442 3.061 1.394 1.00 10.00 C ATOM 669 C VAL A 45 -5.176 4.289 1.914 1.00 10.00 C ATOM 670 O VAL A 45 -4.932 5.405 1.457 1.00 10.00 O ATOM 671 CB VAL A 45 -2.963 3.134 1.804 1.00 10.00 C ATOM 672 CG1 VAL A 45 -2.821 3.108 3.330 1.00 10.00 C ATOM 673 CG2 VAL A 45 -2.193 1.943 1.247 1.00 10.00 C ATOM 0 H VAL A 45 -4.486 3.810 -0.556 1.00 10.00 H new ATOM 0 HA VAL A 45 -4.880 2.168 1.840 1.00 10.00 H new ATOM 0 HB VAL A 45 -2.562 4.065 1.404 1.00 10.00 H new ATOM 0 HG11 VAL A 45 -1.766 3.161 3.598 1.00 10.00 H new ATOM 0 HG12 VAL A 45 -3.347 3.961 3.759 1.00 10.00 H new ATOM 0 HG13 VAL A 45 -3.249 2.184 3.720 1.00 10.00 H new ATOM 0 HG21 VAL A 45 -1.148 2.013 1.548 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -2.622 1.019 1.635 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -2.258 1.944 0.159 1.00 10.00 H new ATOM 683 N GLU A 46 -5.990 4.074 2.944 1.00 10.00 N ATOM 684 CA GLU A 46 -6.622 5.075 3.754 1.00 10.00 C ATOM 685 C GLU A 46 -5.694 5.311 4.944 1.00 10.00 C ATOM 686 O GLU A 46 -5.691 4.494 5.869 1.00 10.00 O ATOM 687 CB GLU A 46 -7.961 4.487 4.205 1.00 10.00 C ATOM 688 CG GLU A 46 -9.020 4.472 3.104 1.00 10.00 C ATOM 689 CD GLU A 46 -8.632 3.572 1.937 1.00 10.00 C ATOM 690 OE1 GLU A 46 -8.491 2.356 2.187 1.00 10.00 O ATOM 691 OE2 GLU A 46 -8.458 4.127 0.833 1.00 10.00 O ATOM 0 H GLU A 46 -6.232 3.129 3.243 1.00 10.00 H new ATOM 0 HA GLU A 46 -6.798 6.018 3.236 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -7.801 3.468 4.559 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -8.336 5.063 5.051 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -9.969 4.133 3.521 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -9.176 5.487 2.740 1.00 10.00 H new ATOM 698 N TYR A 47 -4.900 6.390 4.929 1.00 10.00 N ATOM 699 CA TYR A 47 -3.959 6.682 6.012 1.00 10.00 C ATOM 700 C TYR A 47 -3.947 8.162 6.374 1.00 10.00 C ATOM 701 O TYR A 47 -4.345 8.999 5.568 1.00 10.00 O ATOM 702 CB TYR A 47 -2.542 6.204 5.671 1.00 10.00 C ATOM 703 CG TYR A 47 -1.774 7.077 4.689 1.00 10.00 C ATOM 704 CD1 TYR A 47 -1.028 8.173 5.161 1.00 10.00 C ATOM 705 CD2 TYR A 47 -1.832 6.833 3.305 1.00 10.00 C ATOM 706 CE1 TYR A 47 -0.413 9.064 4.270 1.00 10.00 C ATOM 707 CE2 TYR A 47 -1.169 7.698 2.416 1.00 10.00 C ATOM 708 CZ TYR A 47 -0.523 8.848 2.892 1.00 10.00 C ATOM 709 OH TYR A 47 -0.016 9.765 2.022 1.00 10.00 O ATOM 0 H TYR A 47 -4.893 7.076 4.174 1.00 10.00 H new ATOM 0 HA TYR A 47 -4.307 6.128 6.884 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -1.968 6.136 6.595 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -2.606 5.196 5.261 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -0.928 8.330 6.225 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -2.383 5.985 2.927 1.00 10.00 H new ATOM 0 HE1 TYR A 47 0.142 9.911 4.645 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -1.157 7.475 1.359 1.00 10.00 H new ATOM 0 HH TYR A 47 -0.173 9.465 1.102 1.00 10.00 H new ATOM 719 N ASN A 48 -3.479 8.470 7.586 1.00 10.00 N ATOM 720 CA ASN A 48 -3.364 9.833 8.094 1.00 10.00 C ATOM 721 C ASN A 48 -1.959 10.380 7.855 1.00 10.00 C ATOM 722 O ASN A 48 -0.987 9.733 8.242 1.00 10.00 O ATOM 723 CB ASN A 48 -3.796 9.958 9.570 1.00 10.00 C ATOM 724 CG ASN A 48 -2.929 9.305 10.651 1.00 10.00 C ATOM 725 OD1 ASN A 48 -1.721 9.498 10.741 1.00 10.00 O ATOM 726 ND2 ASN A 48 -3.560 8.594 11.580 1.00 10.00 N ATOM 0 H ASN A 48 -3.164 7.764 8.251 1.00 10.00 H new ATOM 0 HA ASN A 48 -4.064 10.450 7.531 1.00 10.00 H new ATOM 0 HB2 ASN A 48 -3.870 11.020 9.803 1.00 10.00 H new ATOM 0 HB3 ASN A 48 -4.800 9.542 9.656 1.00 10.00 H new ATOM 0 HD21 ASN A 48 -3.040 8.209 12.368 1.00 10.00 H new ATOM 0 HD22 ASN A 48 -4.565 8.434 11.505 1.00 10.00 H new ATOM 733 N PRO A 49 -1.805 11.569 7.252 1.00 10.00 N ATOM 734 CA PRO A 49 -0.504 12.192 7.079 1.00 10.00 C ATOM 735 C PRO A 49 -0.029 12.792 8.411 1.00 10.00 C ATOM 736 O PRO A 49 0.258 13.984 8.493 1.00 10.00 O ATOM 737 CB PRO A 49 -0.718 13.239 5.979 1.00 10.00 C ATOM 738 CG PRO A 49 -2.166 13.674 6.198 1.00 10.00 C ATOM 739 CD PRO A 49 -2.849 12.379 6.638 1.00 10.00 C ATOM 0 HA PRO A 49 0.281 11.495 6.788 1.00 10.00 H new ATOM 0 HB2 PRO A 49 -0.026 14.075 6.077 1.00 10.00 H new ATOM 0 HB3 PRO A 49 -0.569 12.817 4.985 1.00 10.00 H new ATOM 0 HG2 PRO A 49 -2.244 14.450 6.959 1.00 10.00 H new ATOM 0 HG3 PRO A 49 -2.610 14.075 5.287 1.00 10.00 H new ATOM 0 HD2 PRO A 49 -3.653 12.582 7.345 1.00 10.00 H new ATOM 0 HD3 PRO A 49 -3.295 11.863 5.787 1.00 10.00 H new ATOM 747 N LYS A 50 0.050 11.968 9.463 1.00 10.00 N ATOM 748 CA LYS A 50 0.601 12.326 10.752 1.00 10.00 C ATOM 749 C LYS A 50 1.564 11.208 11.141 1.00 10.00 C ATOM 750 O LYS A 50 2.771 11.419 11.208 1.00 10.00 O ATOM 751 CB LYS A 50 -0.566 12.488 11.732 1.00 10.00 C ATOM 752 CG LYS A 50 -0.122 12.473 13.194 1.00 10.00 C ATOM 753 CD LYS A 50 -1.361 12.586 14.083 1.00 10.00 C ATOM 754 CE LYS A 50 -2.074 11.234 14.274 1.00 10.00 C ATOM 755 NZ LYS A 50 -2.144 10.850 15.698 1.00 10.00 N ATOM 0 H LYS A 50 -0.282 11.004 9.427 1.00 10.00 H new ATOM 0 HA LYS A 50 1.151 13.267 10.748 1.00 10.00 H new ATOM 0 HB2 LYS A 50 -1.081 13.426 11.524 1.00 10.00 H new ATOM 0 HB3 LYS A 50 -1.286 11.686 11.568 1.00 10.00 H new ATOM 0 HG2 LYS A 50 0.419 11.553 13.415 1.00 10.00 H new ATOM 0 HG3 LYS A 50 0.561 13.300 13.390 1.00 10.00 H new ATOM 0 HD2 LYS A 50 -1.071 12.981 15.057 1.00 10.00 H new ATOM 0 HD3 LYS A 50 -2.056 13.301 13.643 1.00 10.00 H new ATOM 0 HE2 LYS A 50 -3.082 11.293 13.863 1.00 10.00 H new ATOM 0 HE3 LYS A 50 -1.546 10.462 13.714 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 -3.038 10.351 15.879 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 -1.346 10.225 15.929 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 -2.098 11.704 16.290 1.00 10.00 H new ATOM 769 N GLU A 51 1.001 10.020 11.376 1.00 10.00 N ATOM 770 CA GLU A 51 1.718 8.848 11.851 1.00 10.00 C ATOM 771 C GLU A 51 2.049 7.903 10.685 1.00 10.00 C ATOM 772 O GLU A 51 2.844 6.982 10.855 1.00 10.00 O ATOM 773 CB GLU A 51 0.857 8.145 12.920 1.00 10.00 C ATOM 774 CG GLU A 51 1.431 8.238 14.344 1.00 10.00 C ATOM 775 CD GLU A 51 1.226 9.594 15.004 1.00 10.00 C ATOM 776 OE1 GLU A 51 0.151 9.768 15.622 1.00 10.00 O ATOM 777 OE2 GLU A 51 2.113 10.458 14.863 1.00 10.00 O ATOM 0 H GLU A 51 0.005 9.849 11.235 1.00 10.00 H new ATOM 0 HA GLU A 51 2.667 9.148 12.296 1.00 10.00 H new ATOM 0 HB2 GLU A 51 -0.142 8.581 12.912 1.00 10.00 H new ATOM 0 HB3 GLU A 51 0.748 7.094 12.651 1.00 10.00 H new ATOM 0 HG2 GLU A 51 0.967 7.470 14.963 1.00 10.00 H new ATOM 0 HG3 GLU A 51 2.498 8.019 14.310 1.00 10.00 H new ATOM 784 N ALA A 52 1.415 8.086 9.520 1.00 10.00 N ATOM 785 CA ALA A 52 1.610 7.252 8.340 1.00 10.00 C ATOM 786 C ALA A 52 2.070 8.104 7.157 1.00 10.00 C ATOM 787 O ALA A 52 1.645 9.249 7.014 1.00 10.00 O ATOM 788 CB ALA A 52 0.282 6.566 8.030 1.00 10.00 C ATOM 0 H ALA A 52 0.739 8.836 9.374 1.00 10.00 H new ATOM 0 HA ALA A 52 2.382 6.505 8.524 1.00 10.00 H new ATOM 0 HB1 ALA A 52 0.396 5.933 7.150 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -0.019 5.954 8.880 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -0.481 7.320 7.838 1.00 10.00 H new ATOM 794 N SER A 53 2.937 7.547 6.308 1.00 10.00 N ATOM 795 CA SER A 53 3.556 8.282 5.220 1.00 10.00 C ATOM 796 C SER A 53 3.856 7.366 4.030 1.00 10.00 C ATOM 797 O SER A 53 4.137 6.176 4.188 1.00 10.00 O ATOM 798 CB SER A 53 4.797 9.018 5.752 1.00 10.00 C ATOM 799 OG SER A 53 5.266 8.474 6.970 1.00 10.00 O ATOM 0 H SER A 53 3.226 6.570 6.362 1.00 10.00 H new ATOM 0 HA SER A 53 2.864 9.033 4.838 1.00 10.00 H new ATOM 0 HB2 SER A 53 5.591 8.971 5.007 1.00 10.00 H new ATOM 0 HB3 SER A 53 4.557 10.071 5.896 1.00 10.00 H new ATOM 0 HG SER A 53 6.064 7.932 6.800 1.00 10.00 H new ATOM 805 N VAL A 54 3.778 7.938 2.823 1.00 10.00 N ATOM 806 CA VAL A 54 3.990 7.239 1.562 1.00 10.00 C ATOM 807 C VAL A 54 5.322 6.482 1.562 1.00 10.00 C ATOM 808 O VAL A 54 5.393 5.340 1.112 1.00 10.00 O ATOM 809 CB VAL A 54 3.858 8.208 0.370 1.00 10.00 C ATOM 810 CG1 VAL A 54 2.486 8.896 0.387 1.00 10.00 C ATOM 811 CG2 VAL A 54 4.945 9.291 0.326 1.00 10.00 C ATOM 0 H VAL A 54 3.560 8.927 2.699 1.00 10.00 H new ATOM 0 HA VAL A 54 3.209 6.487 1.449 1.00 10.00 H new ATOM 0 HB VAL A 54 3.976 7.589 -0.520 1.00 10.00 H new ATOM 0 HG11 VAL A 54 2.410 9.576 -0.461 1.00 10.00 H new ATOM 0 HG12 VAL A 54 1.701 8.143 0.320 1.00 10.00 H new ATOM 0 HG13 VAL A 54 2.372 9.458 1.314 1.00 10.00 H new ATOM 0 HG21 VAL A 54 4.784 9.933 -0.540 1.00 10.00 H new ATOM 0 HG22 VAL A 54 4.899 9.890 1.235 1.00 10.00 H new ATOM 0 HG23 VAL A 54 5.925 8.820 0.252 1.00 10.00 H new ATOM 821 N SER A 55 6.374 7.116 2.080 1.00 10.00 N ATOM 822 CA SER A 55 7.705 6.555 2.209 1.00 10.00 C ATOM 823 C SER A 55 7.690 5.205 2.929 1.00 10.00 C ATOM 824 O SER A 55 8.368 4.265 2.504 1.00 10.00 O ATOM 825 CB SER A 55 8.561 7.574 2.966 1.00 10.00 C ATOM 826 OG SER A 55 8.350 8.850 2.384 1.00 10.00 O ATOM 0 H SER A 55 6.313 8.071 2.433 1.00 10.00 H new ATOM 0 HA SER A 55 8.121 6.363 1.220 1.00 10.00 H new ATOM 0 HB2 SER A 55 8.290 7.588 4.022 1.00 10.00 H new ATOM 0 HB3 SER A 55 9.615 7.301 2.911 1.00 10.00 H new ATOM 0 HG SER A 55 7.739 9.370 2.948 1.00 10.00 H new ATOM 832 N ASP A 56 6.939 5.127 4.026 1.00 10.00 N ATOM 833 CA ASP A 56 6.939 4.012 4.952 1.00 10.00 C ATOM 834 C ASP A 56 6.163 2.854 4.349 1.00 10.00 C ATOM 835 O ASP A 56 6.635 1.720 4.315 1.00 10.00 O ATOM 836 CB ASP A 56 6.323 4.486 6.272 1.00 10.00 C ATOM 837 CG ASP A 56 7.137 5.636 6.842 1.00 10.00 C ATOM 838 OD1 ASP A 56 7.063 6.720 6.214 1.00 10.00 O ATOM 839 OD2 ASP A 56 7.834 5.410 7.850 1.00 10.00 O ATOM 0 H ASP A 56 6.293 5.868 4.298 1.00 10.00 H new ATOM 0 HA ASP A 56 7.953 3.661 5.145 1.00 10.00 H new ATOM 0 HB2 ASP A 56 5.293 4.804 6.109 1.00 10.00 H new ATOM 0 HB3 ASP A 56 6.293 3.662 6.985 1.00 10.00 H new ATOM 844 N LEU A 57 4.976 3.127 3.813 1.00 10.00 N ATOM 845 CA LEU A 57 4.233 2.066 3.156 1.00 10.00 C ATOM 846 C LEU A 57 4.987 1.600 1.902 1.00 10.00 C ATOM 847 O LEU A 57 5.151 0.399 1.696 1.00 10.00 O ATOM 848 CB LEU A 57 2.763 2.445 2.977 1.00 10.00 C ATOM 849 CG LEU A 57 2.522 3.625 2.036 1.00 10.00 C ATOM 850 CD1 LEU A 57 2.377 3.109 0.604 1.00 10.00 C ATOM 851 CD2 LEU A 57 1.285 4.429 2.454 1.00 10.00 C ATOM 0 H LEU A 57 4.524 4.041 3.820 1.00 10.00 H new ATOM 0 HA LEU A 57 4.179 1.180 3.788 1.00 10.00 H new ATOM 0 HB2 LEU A 57 2.221 1.578 2.598 1.00 10.00 H new ATOM 0 HB3 LEU A 57 2.341 2.683 3.953 1.00 10.00 H new ATOM 0 HG LEU A 57 3.378 4.298 2.092 1.00 10.00 H new ATOM 0 HD11 LEU A 57 2.205 3.949 -0.070 1.00 10.00 H new ATOM 0 HD12 LEU A 57 3.289 2.589 0.310 1.00 10.00 H new ATOM 0 HD13 LEU A 57 1.533 2.421 0.549 1.00 10.00 H new ATOM 0 HD21 LEU A 57 1.142 5.261 1.764 1.00 10.00 H new ATOM 0 HD22 LEU A 57 0.407 3.784 2.432 1.00 10.00 H new ATOM 0 HD23 LEU A 57 1.426 4.815 3.464 1.00 10.00 H new ATOM 863 N LYS A 58 5.539 2.523 1.100 1.00 10.00 N ATOM 864 CA LYS A 58 6.545 2.166 0.116 1.00 10.00 C ATOM 865 C LYS A 58 7.620 1.240 0.695 1.00 10.00 C ATOM 866 O LYS A 58 7.849 0.198 0.097 1.00 10.00 O ATOM 867 CB LYS A 58 7.119 3.427 -0.537 1.00 10.00 C ATOM 868 CG LYS A 58 8.123 3.119 -1.652 1.00 10.00 C ATOM 869 CD LYS A 58 9.515 3.720 -1.396 1.00 10.00 C ATOM 870 CE LYS A 58 10.396 2.931 -0.414 1.00 10.00 C ATOM 871 NZ LYS A 58 10.401 3.482 0.956 1.00 10.00 N ATOM 0 H LYS A 58 5.300 3.514 1.121 1.00 10.00 H new ATOM 0 HA LYS A 58 6.065 1.584 -0.671 1.00 10.00 H new ATOM 0 HB2 LYS A 58 6.302 4.022 -0.945 1.00 10.00 H new ATOM 0 HB3 LYS A 58 7.606 4.035 0.225 1.00 10.00 H new ATOM 0 HG2 LYS A 58 8.215 2.038 -1.761 1.00 10.00 H new ATOM 0 HG3 LYS A 58 7.737 3.503 -2.596 1.00 10.00 H new ATOM 0 HD2 LYS A 58 10.040 3.799 -2.348 1.00 10.00 H new ATOM 0 HD3 LYS A 58 9.391 4.734 -1.015 1.00 10.00 H new ATOM 0 HE2 LYS A 58 10.050 1.898 -0.379 1.00 10.00 H new ATOM 0 HE3 LYS A 58 11.418 2.912 -0.792 1.00 10.00 H new ATOM 0 HZ1 LYS A 58 10.796 2.778 1.612 1.00 10.00 H new ATOM 0 HZ2 LYS A 58 10.983 4.344 0.982 1.00 10.00 H new ATOM 0 HZ3 LYS A 58 9.428 3.713 1.241 1.00 10.00 H new ATOM 885 N GLU A 59 8.283 1.575 1.814 1.00 10.00 N ATOM 886 CA GLU A 59 9.289 0.721 2.439 1.00 10.00 C ATOM 887 C GLU A 59 8.741 -0.682 2.632 1.00 10.00 C ATOM 888 O GLU A 59 9.398 -1.667 2.301 1.00 10.00 O ATOM 889 CB GLU A 59 9.695 1.317 3.794 1.00 10.00 C ATOM 890 CG GLU A 59 10.959 0.672 4.376 1.00 10.00 C ATOM 891 CD GLU A 59 10.747 -0.504 5.347 1.00 10.00 C ATOM 892 OE1 GLU A 59 9.601 -0.984 5.497 1.00 10.00 O ATOM 893 OE2 GLU A 59 11.752 -0.934 5.948 1.00 10.00 O ATOM 0 H GLU A 59 8.130 2.454 2.309 1.00 10.00 H new ATOM 0 HA GLU A 59 10.164 0.666 1.791 1.00 10.00 H new ATOM 0 HB2 GLU A 59 9.860 2.388 3.679 1.00 10.00 H new ATOM 0 HB3 GLU A 59 8.873 1.195 4.500 1.00 10.00 H new ATOM 0 HG2 GLU A 59 11.576 0.323 3.548 1.00 10.00 H new ATOM 0 HG3 GLU A 59 11.528 1.444 4.894 1.00 10.00 H new ATOM 900 N ALA A 60 7.513 -0.744 3.138 1.00 10.00 N ATOM 901 CA ALA A 60 6.858 -2.002 3.424 1.00 10.00 C ATOM 902 C ALA A 60 6.824 -2.875 2.173 1.00 10.00 C ATOM 903 O ALA A 60 7.258 -4.027 2.200 1.00 10.00 O ATOM 904 CB ALA A 60 5.472 -1.743 4.028 1.00 10.00 C ATOM 0 H ALA A 60 6.951 0.078 3.358 1.00 10.00 H new ATOM 0 HA ALA A 60 7.424 -2.560 4.170 1.00 10.00 H new ATOM 0 HB1 ALA A 60 4.984 -2.694 4.241 1.00 10.00 H new ATOM 0 HB2 ALA A 60 5.578 -1.175 4.952 1.00 10.00 H new ATOM 0 HB3 ALA A 60 4.867 -1.176 3.321 1.00 10.00 H new ATOM 910 N VAL A 61 6.344 -2.308 1.065 1.00 10.00 N ATOM 911 CA VAL A 61 6.317 -3.013 -0.211 1.00 10.00 C ATOM 912 C VAL A 61 7.736 -3.311 -0.725 1.00 10.00 C ATOM 913 O VAL A 61 8.004 -4.421 -1.181 1.00 10.00 O ATOM 914 CB VAL A 61 5.471 -2.248 -1.240 1.00 10.00 C ATOM 915 CG1 VAL A 61 5.302 -3.101 -2.506 1.00 10.00 C ATOM 916 CG2 VAL A 61 4.082 -1.938 -0.668 1.00 10.00 C ATOM 0 H VAL A 61 5.969 -1.360 1.029 1.00 10.00 H new ATOM 0 HA VAL A 61 5.838 -3.979 -0.053 1.00 10.00 H new ATOM 0 HB VAL A 61 5.981 -1.315 -1.480 1.00 10.00 H new ATOM 0 HG11 VAL A 61 4.701 -2.556 -3.234 1.00 10.00 H new ATOM 0 HG12 VAL A 61 6.282 -3.317 -2.932 1.00 10.00 H new ATOM 0 HG13 VAL A 61 4.803 -4.036 -2.251 1.00 10.00 H new ATOM 0 HG21 VAL A 61 3.496 -1.396 -1.410 1.00 10.00 H new ATOM 0 HG22 VAL A 61 3.576 -2.870 -0.416 1.00 10.00 H new ATOM 0 HG23 VAL A 61 4.186 -1.328 0.229 1.00 10.00 H new ATOM 926 N ASP A 62 8.645 -2.334 -0.635 1.00 10.00 N ATOM 927 CA ASP A 62 10.008 -2.430 -1.156 1.00 10.00 C ATOM 928 C ASP A 62 10.675 -3.652 -0.525 1.00 10.00 C ATOM 929 O ASP A 62 11.132 -4.568 -1.206 1.00 10.00 O ATOM 930 CB ASP A 62 10.787 -1.129 -0.849 1.00 10.00 C ATOM 931 CG ASP A 62 11.509 -0.521 -2.051 1.00 10.00 C ATOM 932 OD1 ASP A 62 11.965 -1.283 -2.929 1.00 10.00 O ATOM 933 OD2 ASP A 62 11.588 0.729 -2.088 1.00 10.00 O ATOM 0 H ASP A 62 8.447 -1.438 -0.189 1.00 10.00 H new ATOM 0 HA ASP A 62 9.999 -2.550 -2.239 1.00 10.00 H new ATOM 0 HB2 ASP A 62 10.092 -0.391 -0.448 1.00 10.00 H new ATOM 0 HB3 ASP A 62 11.519 -1.335 -0.068 1.00 10.00 H new ATOM 938 N LYS A 63 10.654 -3.686 0.810 1.00 10.00 N ATOM 939 CA LYS A 63 11.196 -4.762 1.618 1.00 10.00 C ATOM 940 C LYS A 63 10.539 -6.100 1.267 1.00 10.00 C ATOM 941 O LYS A 63 11.219 -7.123 1.252 1.00 10.00 O ATOM 942 CB LYS A 63 11.025 -4.416 3.103 1.00 10.00 C ATOM 943 CG LYS A 63 11.789 -5.418 3.979 1.00 10.00 C ATOM 944 CD LYS A 63 11.663 -5.042 5.460 1.00 10.00 C ATOM 945 CE LYS A 63 12.283 -6.110 6.375 1.00 10.00 C ATOM 946 NZ LYS A 63 13.731 -6.290 6.140 1.00 10.00 N ATOM 0 H LYS A 63 10.244 -2.937 1.369 1.00 10.00 H new ATOM 0 HA LYS A 63 12.260 -4.871 1.407 1.00 10.00 H new ATOM 0 HB2 LYS A 63 11.390 -3.406 3.292 1.00 10.00 H new ATOM 0 HB3 LYS A 63 9.967 -4.427 3.366 1.00 10.00 H new ATOM 0 HG2 LYS A 63 11.398 -6.423 3.818 1.00 10.00 H new ATOM 0 HG3 LYS A 63 12.840 -5.435 3.690 1.00 10.00 H new ATOM 0 HD2 LYS A 63 12.154 -4.084 5.635 1.00 10.00 H new ATOM 0 HD3 LYS A 63 10.611 -4.912 5.714 1.00 10.00 H new ATOM 0 HE2 LYS A 63 12.120 -5.830 7.416 1.00 10.00 H new ATOM 0 HE3 LYS A 63 11.772 -7.060 6.216 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 14.109 -6.984 6.816 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 13.885 -6.633 5.170 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 14.219 -5.381 6.268 1.00 10.00 H new ATOM 960 N LEU A 64 9.226 -6.104 1.006 1.00 10.00 N ATOM 961 CA LEU A 64 8.515 -7.268 0.512 1.00 10.00 C ATOM 962 C LEU A 64 9.203 -7.887 -0.717 1.00 10.00 C ATOM 963 O LEU A 64 9.173 -9.104 -0.876 1.00 10.00 O ATOM 964 CB LEU A 64 7.057 -6.883 0.187 1.00 10.00 C ATOM 965 CG LEU A 64 5.958 -7.718 0.857 1.00 10.00 C ATOM 966 CD1 LEU A 64 6.322 -9.196 0.941 1.00 10.00 C ATOM 967 CD2 LEU A 64 5.612 -7.172 2.246 1.00 10.00 C ATOM 0 H LEU A 64 8.630 -5.286 1.136 1.00 10.00 H new ATOM 0 HA LEU A 64 8.524 -8.027 1.294 1.00 10.00 H new ATOM 0 HB2 LEU A 64 6.910 -5.840 0.467 1.00 10.00 H new ATOM 0 HB3 LEU A 64 6.921 -6.945 -0.893 1.00 10.00 H new ATOM 0 HG LEU A 64 5.076 -7.635 0.222 1.00 10.00 H new ATOM 0 HD11 LEU A 64 5.512 -9.743 1.423 1.00 10.00 H new ATOM 0 HD12 LEU A 64 6.479 -9.590 -0.063 1.00 10.00 H new ATOM 0 HD13 LEU A 64 7.236 -9.313 1.523 1.00 10.00 H new ATOM 0 HD21 LEU A 64 4.830 -7.786 2.694 1.00 10.00 H new ATOM 0 HD22 LEU A 64 6.500 -7.197 2.878 1.00 10.00 H new ATOM 0 HD23 LEU A 64 5.260 -6.145 2.156 1.00 10.00 H new ATOM 979 N GLY A 65 9.819 -7.064 -1.574 1.00 10.00 N ATOM 980 CA GLY A 65 10.648 -7.525 -2.685 1.00 10.00 C ATOM 981 C GLY A 65 10.033 -7.243 -4.055 1.00 10.00 C ATOM 982 O GLY A 65 10.410 -7.872 -5.041 1.00 10.00 O ATOM 0 H GLY A 65 9.753 -6.048 -1.511 1.00 10.00 H new ATOM 0 HA2 GLY A 65 11.624 -7.042 -2.626 1.00 10.00 H new ATOM 0 HA3 GLY A 65 10.816 -8.597 -2.584 1.00 10.00 H new ATOM 986 N TYR A 66 9.103 -6.290 -4.134 1.00 10.00 N ATOM 987 CA TYR A 66 8.598 -5.706 -5.373 1.00 10.00 C ATOM 988 C TYR A 66 8.391 -4.228 -5.075 1.00 10.00 C ATOM 989 O TYR A 66 8.608 -3.827 -3.933 1.00 10.00 O ATOM 990 CB TYR A 66 7.322 -6.408 -5.866 1.00 10.00 C ATOM 991 CG TYR A 66 6.703 -7.383 -4.891 1.00 10.00 C ATOM 992 CD1 TYR A 66 5.910 -6.905 -3.836 1.00 10.00 C ATOM 993 CD2 TYR A 66 7.009 -8.754 -4.973 1.00 10.00 C ATOM 994 CE1 TYR A 66 5.369 -7.805 -2.906 1.00 10.00 C ATOM 995 CE2 TYR A 66 6.467 -9.652 -4.038 1.00 10.00 C ATOM 996 CZ TYR A 66 5.629 -9.180 -3.016 1.00 10.00 C ATOM 997 OH TYR A 66 5.033 -10.060 -2.160 1.00 10.00 O ATOM 0 H TYR A 66 8.666 -5.890 -3.304 1.00 10.00 H new ATOM 0 HA TYR A 66 9.302 -5.836 -6.195 1.00 10.00 H new ATOM 0 HB2 TYR A 66 6.581 -5.648 -6.113 1.00 10.00 H new ATOM 0 HB3 TYR A 66 7.553 -6.940 -6.789 1.00 10.00 H new ATOM 0 HD1 TYR A 66 5.717 -5.847 -3.741 1.00 10.00 H new ATOM 0 HD2 TYR A 66 7.660 -9.116 -5.755 1.00 10.00 H new ATOM 0 HE1 TYR A 66 4.749 -7.438 -2.101 1.00 10.00 H new ATOM 0 HE2 TYR A 66 6.695 -10.705 -4.106 1.00 10.00 H new ATOM 0 HH TYR A 66 5.321 -10.972 -2.375 1.00 10.00 H new ATOM 1007 N LYS A 67 8.023 -3.407 -6.065 1.00 10.00 N ATOM 1008 CA LYS A 67 8.133 -1.959 -5.906 1.00 10.00 C ATOM 1009 C LYS A 67 6.809 -1.230 -6.112 1.00 10.00 C ATOM 1010 O LYS A 67 5.897 -1.713 -6.786 1.00 10.00 O ATOM 1011 CB LYS A 67 9.299 -1.398 -6.740 1.00 10.00 C ATOM 1012 CG LYS A 67 9.993 -0.253 -5.981 1.00 10.00 C ATOM 1013 CD LYS A 67 11.319 0.154 -6.628 1.00 10.00 C ATOM 1014 CE LYS A 67 12.081 1.058 -5.645 1.00 10.00 C ATOM 1015 NZ LYS A 67 13.402 1.456 -6.162 1.00 10.00 N ATOM 0 H LYS A 67 7.655 -3.715 -6.965 1.00 10.00 H new ATOM 0 HA LYS A 67 8.380 -1.761 -4.863 1.00 10.00 H new ATOM 0 HB2 LYS A 67 10.017 -2.190 -6.954 1.00 10.00 H new ATOM 0 HB3 LYS A 67 8.929 -1.036 -7.699 1.00 10.00 H new ATOM 0 HG2 LYS A 67 9.329 0.611 -5.945 1.00 10.00 H new ATOM 0 HG3 LYS A 67 10.173 -0.560 -4.951 1.00 10.00 H new ATOM 0 HD2 LYS A 67 11.911 -0.729 -6.868 1.00 10.00 H new ATOM 0 HD3 LYS A 67 11.138 0.680 -7.565 1.00 10.00 H new ATOM 0 HE2 LYS A 67 11.489 1.950 -5.441 1.00 10.00 H new ATOM 0 HE3 LYS A 67 12.207 0.536 -4.697 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 13.878 2.064 -5.466 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 13.978 0.607 -6.332 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 13.283 1.978 -7.054 1.00 10.00 H new ATOM 1029 N LEU A 68 6.728 -0.074 -5.447 1.00 10.00 N ATOM 1030 CA LEU A 68 5.544 0.732 -5.252 1.00 10.00 C ATOM 1031 C LEU A 68 5.915 2.182 -5.525 1.00 10.00 C ATOM 1032 O LEU A 68 7.029 2.596 -5.197 1.00 10.00 O ATOM 1033 CB LEU A 68 5.161 0.614 -3.771 1.00 10.00 C ATOM 1034 CG LEU A 68 3.774 1.186 -3.471 1.00 10.00 C ATOM 1035 CD1 LEU A 68 2.711 0.168 -3.864 1.00 10.00 C ATOM 1036 CD2 LEU A 68 3.615 1.574 -2.006 1.00 10.00 C ATOM 0 H LEU A 68 7.548 0.341 -5.006 1.00 10.00 H new ATOM 0 HA LEU A 68 4.730 0.413 -5.903 1.00 10.00 H new ATOM 0 HB2 LEU A 68 5.188 -0.435 -3.476 1.00 10.00 H new ATOM 0 HB3 LEU A 68 5.903 1.135 -3.166 1.00 10.00 H new ATOM 0 HG LEU A 68 3.653 2.097 -4.058 1.00 10.00 H new ATOM 0 HD11 LEU A 68 1.722 0.574 -3.651 1.00 10.00 H new ATOM 0 HD12 LEU A 68 2.792 -0.050 -4.929 1.00 10.00 H new ATOM 0 HD13 LEU A 68 2.857 -0.749 -3.294 1.00 10.00 H new ATOM 0 HD21 LEU A 68 2.615 1.975 -1.842 1.00 10.00 H new ATOM 0 HD22 LEU A 68 3.761 0.695 -1.379 1.00 10.00 H new ATOM 0 HD23 LEU A 68 4.356 2.331 -1.748 1.00 10.00 H new ATOM 1048 N LYS A 69 4.968 2.976 -6.022 1.00 10.00 N ATOM 1049 CA LYS A 69 5.054 4.417 -5.970 1.00 10.00 C ATOM 1050 C LYS A 69 3.656 5.007 -5.895 1.00 10.00 C ATOM 1051 O LYS A 69 2.726 4.378 -6.380 1.00 10.00 O ATOM 1052 CB LYS A 69 5.816 4.913 -7.206 1.00 10.00 C ATOM 1053 CG LYS A 69 6.491 6.263 -6.963 1.00 10.00 C ATOM 1054 CD LYS A 69 7.377 6.157 -5.712 1.00 10.00 C ATOM 1055 CE LYS A 69 8.618 7.054 -5.794 1.00 10.00 C ATOM 1056 NZ LYS A 69 8.271 8.485 -5.927 1.00 10.00 N ATOM 0 H LYS A 69 4.121 2.628 -6.471 1.00 10.00 H new ATOM 0 HA LYS A 69 5.596 4.738 -5.081 1.00 10.00 H new ATOM 0 HB2 LYS A 69 6.569 4.177 -7.486 1.00 10.00 H new ATOM 0 HB3 LYS A 69 5.127 4.999 -8.046 1.00 10.00 H new ATOM 0 HG2 LYS A 69 7.092 6.545 -7.828 1.00 10.00 H new ATOM 0 HG3 LYS A 69 5.740 7.041 -6.828 1.00 10.00 H new ATOM 0 HD2 LYS A 69 6.793 6.430 -4.833 1.00 10.00 H new ATOM 0 HD3 LYS A 69 7.689 5.121 -5.579 1.00 10.00 H new ATOM 0 HE2 LYS A 69 9.226 6.912 -4.900 1.00 10.00 H new ATOM 0 HE3 LYS A 69 9.227 6.750 -6.645 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 9.142 9.050 -5.979 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 7.714 8.628 -6.793 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 7.712 8.785 -5.103 1.00 10.00 H new ATOM 1070 N LEU A 70 3.496 6.183 -5.277 1.00 10.00 N ATOM 1071 CA LEU A 70 2.205 6.863 -5.243 1.00 10.00 C ATOM 1072 C LEU A 70 1.760 7.165 -6.674 1.00 10.00 C ATOM 1073 O LEU A 70 2.588 7.327 -7.568 1.00 10.00 O ATOM 1074 CB LEU A 70 2.309 8.189 -4.480 1.00 10.00 C ATOM 1075 CG LEU A 70 0.999 8.792 -3.947 1.00 10.00 C ATOM 1076 CD1 LEU A 70 0.504 8.034 -2.716 1.00 10.00 C ATOM 1077 CD2 LEU A 70 1.252 10.252 -3.552 1.00 10.00 C ATOM 0 H LEU A 70 4.246 6.679 -4.796 1.00 10.00 H new ATOM 0 HA LEU A 70 1.486 6.215 -4.741 1.00 10.00 H new ATOM 0 HB2 LEU A 70 2.983 8.042 -3.636 1.00 10.00 H new ATOM 0 HB3 LEU A 70 2.777 8.922 -5.137 1.00 10.00 H new ATOM 0 HG LEU A 70 0.243 8.722 -4.729 1.00 10.00 H new ATOM 0 HD11 LEU A 70 -0.424 8.483 -2.361 1.00 10.00 H new ATOM 0 HD12 LEU A 70 0.326 6.991 -2.978 1.00 10.00 H new ATOM 0 HD13 LEU A 70 1.257 8.087 -1.929 1.00 10.00 H new ATOM 0 HD21 LEU A 70 0.330 10.691 -3.172 1.00 10.00 H new ATOM 0 HD22 LEU A 70 2.019 10.292 -2.778 1.00 10.00 H new ATOM 0 HD23 LEU A 70 1.588 10.812 -4.425 1.00 10.00 H new ATOM 1089 N LYS A 71 0.450 7.292 -6.836 1.00 10.00 N ATOM 1090 CA LYS A 71 -0.236 7.597 -8.069 1.00 10.00 C ATOM 1091 C LYS A 71 -0.858 8.988 -7.927 1.00 10.00 C ATOM 1092 O LYS A 71 -0.409 9.930 -8.574 1.00 10.00 O ATOM 1093 CB LYS A 71 -1.243 6.470 -8.315 1.00 10.00 C ATOM 1094 CG LYS A 71 -2.260 6.824 -9.391 1.00 10.00 C ATOM 1095 CD LYS A 71 -2.855 5.534 -9.969 1.00 10.00 C ATOM 1096 CE LYS A 71 -4.171 5.767 -10.717 1.00 10.00 C ATOM 1097 NZ LYS A 71 -4.042 6.804 -11.755 1.00 10.00 N ATOM 0 H LYS A 71 -0.196 7.176 -6.056 1.00 10.00 H new ATOM 0 HA LYS A 71 0.417 7.640 -8.941 1.00 10.00 H new ATOM 0 HB2 LYS A 71 -0.708 5.566 -8.608 1.00 10.00 H new ATOM 0 HB3 LYS A 71 -1.766 6.244 -7.385 1.00 10.00 H new ATOM 0 HG2 LYS A 71 -3.050 7.446 -8.970 1.00 10.00 H new ATOM 0 HG3 LYS A 71 -1.784 7.404 -10.181 1.00 10.00 H new ATOM 0 HD2 LYS A 71 -2.133 5.079 -10.647 1.00 10.00 H new ATOM 0 HD3 LYS A 71 -3.024 4.823 -9.160 1.00 10.00 H new ATOM 0 HE2 LYS A 71 -4.497 4.834 -11.176 1.00 10.00 H new ATOM 0 HE3 LYS A 71 -4.944 6.060 -10.007 1.00 10.00 H new ATOM 0 HZ1 LYS A 71 -4.918 6.847 -12.314 1.00 10.00 H new ATOM 0 HZ2 LYS A 71 -3.873 7.726 -11.305 1.00 10.00 H new ATOM 0 HZ3 LYS A 71 -3.244 6.572 -12.380 1.00 10.00 H new ATOM 1111 N GLY A 72 -1.870 9.128 -7.063 1.00 10.00 N ATOM 1112 CA GLY A 72 -2.471 10.426 -6.767 1.00 10.00 C ATOM 1113 C GLY A 72 -3.917 10.311 -6.284 1.00 10.00 C ATOM 1114 O GLY A 72 -4.788 10.996 -6.813 1.00 10.00 O ATOM 0 H GLY A 72 -2.290 8.350 -6.555 1.00 10.00 H new ATOM 0 HA2 GLY A 72 -1.877 10.931 -6.005 1.00 10.00 H new ATOM 0 HA3 GLY A 72 -2.439 11.049 -7.661 1.00 10.00 H new ATOM 1118 N GLU A 73 -4.139 9.464 -5.273 1.00 10.00 N ATOM 1119 CA GLU A 73 -5.427 9.223 -4.630 1.00 10.00 C ATOM 1120 C GLU A 73 -6.460 8.568 -5.553 1.00 10.00 C ATOM 1121 O GLU A 73 -6.340 8.616 -6.776 1.00 10.00 O ATOM 1122 CB GLU A 73 -5.967 10.489 -3.944 1.00 10.00 C ATOM 1123 CG GLU A 73 -4.940 11.127 -2.996 1.00 10.00 C ATOM 1124 CD GLU A 73 -5.593 12.163 -2.091 1.00 10.00 C ATOM 1125 OE1 GLU A 73 -6.291 11.727 -1.148 1.00 10.00 O ATOM 1126 OE2 GLU A 73 -5.375 13.364 -2.354 1.00 10.00 O ATOM 0 H GLU A 73 -3.390 8.905 -4.865 1.00 10.00 H new ATOM 0 HA GLU A 73 -5.240 8.488 -3.848 1.00 10.00 H new ATOM 0 HB2 GLU A 73 -6.256 11.215 -4.704 1.00 10.00 H new ATOM 0 HB3 GLU A 73 -6.868 10.239 -3.384 1.00 10.00 H new ATOM 0 HG2 GLU A 73 -4.473 10.352 -2.388 1.00 10.00 H new ATOM 0 HG3 GLU A 73 -4.147 11.597 -3.578 1.00 10.00 H new ATOM 1133 N GLN A 74 -7.460 7.909 -4.955 1.00 10.00 N ATOM 1134 CA GLN A 74 -8.489 7.226 -5.731 1.00 10.00 C ATOM 1135 C GLN A 74 -9.595 8.194 -6.165 1.00 10.00 C ATOM 1136 O GLN A 74 -9.915 9.142 -5.449 1.00 10.00 O ATOM 1137 CB GLN A 74 -9.064 6.015 -4.978 1.00 10.00 C ATOM 1138 CG GLN A 74 -9.689 6.357 -3.619 1.00 10.00 C ATOM 1139 CD GLN A 74 -10.802 5.385 -3.244 1.00 10.00 C ATOM 1140 OE1 GLN A 74 -10.760 4.736 -2.207 1.00 10.00 O ATOM 1141 NE2 GLN A 74 -11.849 5.310 -4.062 1.00 10.00 N ATOM 0 H GLN A 74 -7.574 7.837 -3.944 1.00 10.00 H new ATOM 0 HA GLN A 74 -8.012 6.844 -6.634 1.00 10.00 H new ATOM 0 HB2 GLN A 74 -9.819 5.538 -5.603 1.00 10.00 H new ATOM 0 HB3 GLN A 74 -8.269 5.285 -4.826 1.00 10.00 H new ATOM 0 HG2 GLN A 74 -8.917 6.339 -2.850 1.00 10.00 H new ATOM 0 HG3 GLN A 74 -10.087 7.371 -3.648 1.00 10.00 H new ATOM 0 HE21 GLN A 74 -11.865 5.859 -4.922 1.00 10.00 H new ATOM 0 HE22 GLN A 74 -12.636 4.704 -3.829 1.00 10.00 H new ATOM 1150 N ASP A 75 -10.217 7.902 -7.309 1.00 10.00 N ATOM 1151 CA ASP A 75 -11.447 8.512 -7.804 1.00 10.00 C ATOM 1152 C ASP A 75 -12.219 7.410 -8.531 1.00 10.00 C ATOM 1153 O ASP A 75 -11.660 6.355 -8.833 1.00 10.00 O ATOM 1154 CB ASP A 75 -11.145 9.704 -8.735 1.00 10.00 C ATOM 1155 CG ASP A 75 -12.352 10.153 -9.570 1.00 10.00 C ATOM 1156 OD1 ASP A 75 -13.453 10.289 -8.988 1.00 10.00 O ATOM 1157 OD2 ASP A 75 -12.198 10.247 -10.804 1.00 10.00 O ATOM 0 H ASP A 75 -9.854 7.195 -7.948 1.00 10.00 H new ATOM 0 HA ASP A 75 -12.039 8.918 -6.984 1.00 10.00 H new ATOM 0 HB2 ASP A 75 -10.797 10.544 -8.134 1.00 10.00 H new ATOM 0 HB3 ASP A 75 -10.330 9.433 -9.406 1.00 10.00 H new ATOM 1162 N SER A 76 -13.500 7.648 -8.798 1.00 10.00 N ATOM 1163 CA SER A 76 -14.302 6.861 -9.709 1.00 10.00 C ATOM 1164 C SER A 76 -15.375 7.801 -10.258 1.00 10.00 C ATOM 1165 O SER A 76 -16.513 7.788 -9.799 1.00 10.00 O ATOM 1166 CB SER A 76 -14.865 5.623 -8.995 1.00 10.00 C ATOM 1167 OG SER A 76 -15.338 4.676 -9.936 1.00 10.00 O ATOM 0 H SER A 76 -14.016 8.417 -8.371 1.00 10.00 H new ATOM 0 HA SER A 76 -13.721 6.462 -10.540 1.00 10.00 H new ATOM 0 HB2 SER A 76 -14.091 5.171 -8.374 1.00 10.00 H new ATOM 0 HB3 SER A 76 -15.676 5.918 -8.329 1.00 10.00 H new ATOM 0 HG SER A 76 -15.691 3.894 -9.463 1.00 10.00 H new ATOM 1173 N ILE A 77 -14.969 8.641 -11.214 1.00 10.00 N ATOM 1174 CA ILE A 77 -15.745 9.682 -11.845 1.00 10.00 C ATOM 1175 C ILE A 77 -16.631 10.494 -10.897 1.00 10.00 C ATOM 1176 O ILE A 77 -17.847 10.585 -11.067 1.00 10.00 O ATOM 1177 CB ILE A 77 -16.502 9.156 -13.058 1.00 10.00 C ATOM 1178 CG1 ILE A 77 -17.588 8.106 -12.747 1.00 10.00 C ATOM 1179 CG2 ILE A 77 -15.562 8.642 -14.157 1.00 10.00 C ATOM 1180 CD1 ILE A 77 -18.782 8.225 -13.697 1.00 10.00 C ATOM 0 H ILE A 77 -14.020 8.598 -11.585 1.00 10.00 H new ATOM 0 HA ILE A 77 -15.014 10.410 -12.198 1.00 10.00 H new ATOM 0 HB ILE A 77 -17.032 10.034 -13.427 1.00 10.00 H new ATOM 0 HG12 ILE A 77 -17.160 7.107 -12.824 1.00 10.00 H new ATOM 0 HG13 ILE A 77 -17.928 8.228 -11.719 1.00 10.00 H new ATOM 0 HG21 ILE A 77 -16.151 8.278 -14.999 1.00 10.00 H new ATOM 0 HG22 ILE A 77 -14.914 9.453 -14.491 1.00 10.00 H new ATOM 0 HG23 ILE A 77 -14.952 7.829 -13.763 1.00 10.00 H new ATOM 0 HD11 ILE A 77 -19.525 7.468 -13.445 1.00 10.00 H new ATOM 0 HD12 ILE A 77 -19.226 9.216 -13.600 1.00 10.00 H new ATOM 0 HD13 ILE A 77 -18.447 8.076 -14.723 1.00 10.00 H new ATOM 1192 N GLU A 78 -15.999 11.161 -9.941 1.00 10.00 N ATOM 1193 CA GLU A 78 -16.707 12.113 -9.097 1.00 10.00 C ATOM 1194 C GLU A 78 -17.286 13.245 -9.962 1.00 10.00 C ATOM 1195 O GLU A 78 -16.580 13.825 -10.787 1.00 10.00 O ATOM 1196 CB GLU A 78 -15.803 12.649 -7.979 1.00 10.00 C ATOM 1197 CG GLU A 78 -16.649 12.999 -6.746 1.00 10.00 C ATOM 1198 CD GLU A 78 -15.819 13.659 -5.653 1.00 10.00 C ATOM 1199 OE1 GLU A 78 -15.484 14.848 -5.843 1.00 10.00 O ATOM 1200 OE2 GLU A 78 -15.551 12.969 -4.646 1.00 10.00 O ATOM 0 H GLU A 78 -15.006 11.062 -9.732 1.00 10.00 H new ATOM 0 HA GLU A 78 -17.535 11.601 -8.607 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -15.053 11.903 -7.716 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -15.266 13.532 -8.325 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -17.459 13.667 -7.040 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -17.110 12.093 -6.354 1.00 10.00 H new ATOM 1207 N GLY A 79 -18.575 13.547 -9.793 1.00 10.00 N ATOM 1208 CA GLY A 79 -19.294 14.551 -10.561 1.00 10.00 C ATOM 1209 C GLY A 79 -20.785 14.396 -10.278 1.00 10.00 C ATOM 1210 O GLY A 79 -21.173 13.523 -9.500 1.00 10.00 O ATOM 0 H GLY A 79 -19.159 13.083 -9.097 1.00 10.00 H new ATOM 0 HA2 GLY A 79 -18.958 15.551 -10.287 1.00 10.00 H new ATOM 0 HA3 GLY A 79 -19.095 14.429 -11.626 1.00 10.00 H new ATOM 1214 N ARG A 80 -21.621 15.231 -10.899 1.00 10.00 N ATOM 1215 CA ARG A 80 -23.068 15.143 -10.878 1.00 10.00 C ATOM 1216 C ARG A 80 -23.548 16.038 -12.022 1.00 10.00 C ATOM 1217 O ARG A 80 -22.666 16.729 -12.584 1.00 10.00 O ATOM 1218 CB ARG A 80 -23.626 15.614 -9.525 1.00 10.00 C ATOM 1219 CG ARG A 80 -25.014 15.008 -9.280 1.00 10.00 C ATOM 1220 CD ARG A 80 -25.707 15.677 -8.091 1.00 10.00 C ATOM 1221 NE ARG A 80 -27.002 15.033 -7.825 1.00 10.00 N ATOM 1222 CZ ARG A 80 -27.993 15.557 -7.085 1.00 10.00 C ATOM 1223 NH1 ARG A 80 -27.833 16.750 -6.503 1.00 10.00 N ATOM 1224 NH2 ARG A 80 -29.139 14.883 -6.932 1.00 10.00 N ATOM 1225 OXT ARG A 80 -24.765 16.027 -12.301 1.00 10.00 O ATOM 0 H ARG A 80 -21.285 16.019 -11.452 1.00 10.00 H new ATOM 0 HA ARG A 80 -23.414 14.117 -11.005 1.00 10.00 H new ATOM 0 HB2 ARG A 80 -22.948 15.322 -8.723 1.00 10.00 H new ATOM 0 HB3 ARG A 80 -23.689 16.702 -9.509 1.00 10.00 H new ATOM 0 HG2 ARG A 80 -25.627 15.123 -10.174 1.00 10.00 H new ATOM 0 HG3 ARG A 80 -24.919 13.938 -9.094 1.00 10.00 H new ATOM 0 HD2 ARG A 80 -25.072 15.611 -7.207 1.00 10.00 H new ATOM 0 HD3 ARG A 80 -25.856 16.737 -8.298 1.00 10.00 H new ATOM 0 HE ARG A 80 -27.161 14.113 -8.236 1.00 10.00 H new ATOM 0 HH11 ARG A 80 -26.959 17.262 -6.621 1.00 10.00 H new ATOM 0 HH12 ARG A 80 -28.585 17.148 -5.941 1.00 10.00 H new ATOM 0 HH21 ARG A 80 -29.259 13.973 -7.377 1.00 10.00 H new ATOM 0 HH22 ARG A 80 -29.893 15.279 -6.370 1.00 10.00 H new TER 1239 ARG A 80