USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=19 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 :FLIP amide:sc= 0.959 F(o=2.4,f=3.3) USER MOD Set 1.2: A 42 THR OG1 : rot 80:sc= 1.1 USER MOD Set 1.3: A 44 THR OG1 : rot -21:sc= 1.24 USER MOD Single : A 1 VAL N :NH3+ -160:sc= -0.0635 (180deg=-0.525) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -125:sc= 1.11 (180deg=-0.116) USER MOD Single : A 12 MET CE :methyl 172:sc= -0.0911 (180deg=-0.341) USER MOD Single : A 13 THR OG1 : rot 152:sc= 1.21 USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 180:sc= -0.851 USER MOD Single : A 19 ASN :FLIP amide:sc= -0.225 F(o=-1.1,f=-0.22) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 1.23 K(o=1.2,f=-0.22) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.0296 USER MOD Single : A 48 ASN : amide:sc= -0.973 K(o=-0.97,f=-6.6!) USER MOD Single : A 50 LYS NZ :NH3+ 150:sc= 1.19 (180deg=1.08) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0.0051 USER MOD Single : A 58 LYS NZ :NH3+ 169:sc= 0.358 (180deg=-0.193) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot -147:sc= 1.15 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+ 138:sc= 1.03 (180deg=-0.916) USER MOD Single : A 74 GLN : amide:sc= -0.0086 X(o=-0.0086,f=-0.35) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -9.374 12.760 9.952 1.00 10.00 N ATOM 2 CA VAL A 1 -9.043 11.404 10.413 1.00 10.00 C ATOM 3 C VAL A 1 -7.973 10.841 9.478 1.00 10.00 C ATOM 4 O VAL A 1 -6.797 11.108 9.700 1.00 10.00 O ATOM 5 CB VAL A 1 -10.304 10.525 10.539 1.00 10.00 C ATOM 6 CG1 VAL A 1 -9.954 9.131 11.072 1.00 10.00 C ATOM 7 CG2 VAL A 1 -11.322 11.157 11.496 1.00 10.00 C ATOM 0 H1 VAL A 1 -9.823 13.290 10.726 1.00 10.00 H new ATOM 0 H2 VAL A 1 -8.504 13.248 9.657 1.00 10.00 H new ATOM 0 H3 VAL A 1 -10.029 12.702 9.146 1.00 10.00 H new ATOM 0 HA VAL A 1 -8.633 11.423 11.423 1.00 10.00 H new ATOM 0 HB VAL A 1 -10.733 10.443 9.540 1.00 10.00 H new ATOM 0 HG11 VAL A 1 -10.862 8.533 11.151 1.00 10.00 H new ATOM 0 HG12 VAL A 1 -9.257 8.645 10.389 1.00 10.00 H new ATOM 0 HG13 VAL A 1 -9.494 9.223 12.056 1.00 10.00 H new ATOM 0 HG21 VAL A 1 -12.201 10.517 11.566 1.00 10.00 H new ATOM 0 HG22 VAL A 1 -10.873 11.267 12.483 1.00 10.00 H new ATOM 0 HG23 VAL A 1 -11.616 12.137 11.119 1.00 10.00 H new ATOM 19 N THR A 2 -8.375 10.144 8.415 1.00 10.00 N ATOM 20 CA THR A 2 -7.484 9.553 7.428 1.00 10.00 C ATOM 21 C THR A 2 -7.859 10.026 6.023 1.00 10.00 C ATOM 22 O THR A 2 -8.977 10.489 5.789 1.00 10.00 O ATOM 23 CB THR A 2 -7.567 8.028 7.546 1.00 10.00 C ATOM 24 OG1 THR A 2 -8.923 7.634 7.692 1.00 10.00 O ATOM 25 CG2 THR A 2 -6.774 7.559 8.768 1.00 10.00 C ATOM 0 H THR A 2 -9.360 9.972 8.215 1.00 10.00 H new ATOM 0 HA THR A 2 -6.457 9.868 7.612 1.00 10.00 H new ATOM 0 HB THR A 2 -7.149 7.578 6.645 1.00 10.00 H new ATOM 0 HG1 THR A 2 -8.974 6.658 7.766 1.00 10.00 H new ATOM 0 HG21 THR A 2 -6.836 6.474 8.847 1.00 10.00 H new ATOM 0 HG22 THR A 2 -5.731 7.856 8.661 1.00 10.00 H new ATOM 0 HG23 THR A 2 -7.190 8.013 9.668 1.00 10.00 H new ATOM 33 N GLU A 3 -6.899 9.911 5.109 1.00 10.00 N ATOM 34 CA GLU A 3 -6.905 10.425 3.757 1.00 10.00 C ATOM 35 C GLU A 3 -6.645 9.248 2.814 1.00 10.00 C ATOM 36 O GLU A 3 -6.015 8.266 3.211 1.00 10.00 O ATOM 37 CB GLU A 3 -5.789 11.473 3.682 1.00 10.00 C ATOM 38 CG GLU A 3 -6.063 12.563 2.651 1.00 10.00 C ATOM 39 CD GLU A 3 -5.003 13.647 2.781 1.00 10.00 C ATOM 40 OE1 GLU A 3 -3.879 13.403 2.292 1.00 10.00 O ATOM 41 OE2 GLU A 3 -5.319 14.670 3.425 1.00 10.00 O ATOM 0 H GLU A 3 -6.032 9.416 5.319 1.00 10.00 H new ATOM 0 HA GLU A 3 -7.851 10.887 3.474 1.00 10.00 H new ATOM 0 HB2 GLU A 3 -5.663 11.932 4.663 1.00 10.00 H new ATOM 0 HB3 GLU A 3 -4.849 10.978 3.438 1.00 10.00 H new ATOM 0 HG2 GLU A 3 -6.049 12.142 1.646 1.00 10.00 H new ATOM 0 HG3 GLU A 3 -7.055 12.987 2.806 1.00 10.00 H new ATOM 48 N LYS A 4 -7.167 9.327 1.588 1.00 10.00 N ATOM 49 CA LYS A 4 -7.083 8.262 0.597 1.00 10.00 C ATOM 50 C LYS A 4 -5.868 8.492 -0.301 1.00 10.00 C ATOM 51 O LYS A 4 -5.562 9.631 -0.643 1.00 10.00 O ATOM 52 CB LYS A 4 -8.375 8.219 -0.236 1.00 10.00 C ATOM 53 CG LYS A 4 -9.355 7.142 0.249 1.00 10.00 C ATOM 54 CD LYS A 4 -9.878 7.349 1.676 1.00 10.00 C ATOM 55 CE LYS A 4 -10.966 8.429 1.753 1.00 10.00 C ATOM 56 NZ LYS A 4 -11.357 8.694 3.152 1.00 10.00 N ATOM 0 H LYS A 4 -7.668 10.150 1.254 1.00 10.00 H new ATOM 0 HA LYS A 4 -6.968 7.303 1.102 1.00 10.00 H new ATOM 0 HB2 LYS A 4 -8.862 9.193 -0.195 1.00 10.00 H new ATOM 0 HB3 LYS A 4 -8.124 8.032 -1.280 1.00 10.00 H new ATOM 0 HG2 LYS A 4 -10.204 7.108 -0.434 1.00 10.00 H new ATOM 0 HG3 LYS A 4 -8.863 6.171 0.194 1.00 10.00 H new ATOM 0 HD2 LYS A 4 -10.278 6.408 2.053 1.00 10.00 H new ATOM 0 HD3 LYS A 4 -9.049 7.626 2.327 1.00 10.00 H new ATOM 0 HE2 LYS A 4 -10.603 9.348 1.294 1.00 10.00 H new ATOM 0 HE3 LYS A 4 -11.839 8.111 1.183 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 -12.385 8.574 3.254 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 -10.867 8.027 3.782 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 -11.095 9.667 3.407 1.00 10.00 H new ATOM 70 N ALA A 5 -5.188 7.409 -0.691 1.00 10.00 N ATOM 71 CA ALA A 5 -3.981 7.454 -1.498 1.00 10.00 C ATOM 72 C ALA A 5 -3.917 6.210 -2.382 1.00 10.00 C ATOM 73 O ALA A 5 -4.257 5.124 -1.910 1.00 10.00 O ATOM 74 CB ALA A 5 -2.789 7.488 -0.548 1.00 10.00 C ATOM 0 H ALA A 5 -5.473 6.461 -0.446 1.00 10.00 H new ATOM 0 HA ALA A 5 -3.973 8.335 -2.140 1.00 10.00 H new ATOM 0 HB1 ALA A 5 -1.865 7.522 -1.125 1.00 10.00 H new ATOM 0 HB2 ALA A 5 -2.854 8.372 0.086 1.00 10.00 H new ATOM 0 HB3 ALA A 5 -2.795 6.594 0.075 1.00 10.00 H new ATOM 80 N GLU A 6 -3.467 6.354 -3.634 1.00 10.00 N ATOM 81 CA GLU A 6 -3.229 5.235 -4.532 1.00 10.00 C ATOM 82 C GLU A 6 -1.772 5.170 -4.917 1.00 10.00 C ATOM 83 O GLU A 6 -1.114 6.205 -5.058 1.00 10.00 O ATOM 84 CB GLU A 6 -4.040 5.361 -5.817 1.00 10.00 C ATOM 85 CG GLU A 6 -5.371 4.630 -5.673 1.00 10.00 C ATOM 86 CD GLU A 6 -5.471 3.409 -6.581 1.00 10.00 C ATOM 87 OE1 GLU A 6 -5.241 3.571 -7.799 1.00 10.00 O ATOM 88 OE2 GLU A 6 -5.757 2.325 -6.031 1.00 10.00 O ATOM 0 H GLU A 6 -3.258 7.262 -4.049 1.00 10.00 H new ATOM 0 HA GLU A 6 -3.530 4.334 -3.997 1.00 10.00 H new ATOM 0 HB2 GLU A 6 -4.217 6.413 -6.043 1.00 10.00 H new ATOM 0 HB3 GLU A 6 -3.477 4.946 -6.653 1.00 10.00 H new ATOM 0 HG2 GLU A 6 -5.500 4.319 -4.636 1.00 10.00 H new ATOM 0 HG3 GLU A 6 -6.185 5.317 -5.903 1.00 10.00 H new ATOM 95 N PHE A 7 -1.327 3.935 -5.146 1.00 10.00 N ATOM 96 CA PHE A 7 0.028 3.601 -5.526 1.00 10.00 C ATOM 97 C PHE A 7 -0.017 2.601 -6.674 1.00 10.00 C ATOM 98 O PHE A 7 -0.915 1.755 -6.704 1.00 10.00 O ATOM 99 CB PHE A 7 0.796 3.031 -4.326 1.00 10.00 C ATOM 100 CG PHE A 7 0.739 3.851 -3.058 1.00 10.00 C ATOM 101 CD1 PHE A 7 -0.434 3.852 -2.285 1.00 10.00 C ATOM 102 CD2 PHE A 7 1.855 4.592 -2.635 1.00 10.00 C ATOM 103 CE1 PHE A 7 -0.552 4.719 -1.189 1.00 10.00 C ATOM 104 CE2 PHE A 7 1.760 5.414 -1.502 1.00 10.00 C ATOM 105 CZ PHE A 7 0.548 5.498 -0.795 1.00 10.00 C ATOM 0 H PHE A 7 -1.929 3.116 -5.067 1.00 10.00 H new ATOM 0 HA PHE A 7 0.553 4.499 -5.854 1.00 10.00 H new ATOM 0 HB2 PHE A 7 0.408 2.036 -4.110 1.00 10.00 H new ATOM 0 HB3 PHE A 7 1.841 2.911 -4.612 1.00 10.00 H new ATOM 0 HD1 PHE A 7 -1.246 3.185 -2.535 1.00 10.00 H new ATOM 0 HD2 PHE A 7 2.785 4.529 -3.181 1.00 10.00 H new ATOM 0 HE1 PHE A 7 -1.485 4.787 -0.650 1.00 10.00 H new ATOM 0 HE2 PHE A 7 2.618 5.982 -1.173 1.00 10.00 H new ATOM 0 HZ PHE A 7 0.463 6.162 0.052 1.00 10.00 H new ATOM 115 N ASP A 8 0.936 2.710 -7.604 1.00 10.00 N ATOM 116 CA ASP A 8 0.943 1.947 -8.849 1.00 10.00 C ATOM 117 C ASP A 8 2.079 0.923 -8.784 1.00 10.00 C ATOM 118 O ASP A 8 3.162 1.251 -8.290 1.00 10.00 O ATOM 119 CB ASP A 8 1.072 2.907 -10.038 1.00 10.00 C ATOM 120 CG ASP A 8 0.277 2.409 -11.234 1.00 10.00 C ATOM 121 OD1 ASP A 8 0.841 1.611 -12.005 1.00 10.00 O ATOM 122 OD2 ASP A 8 -0.888 2.852 -11.368 1.00 10.00 O ATOM 0 H ASP A 8 1.733 3.339 -7.509 1.00 10.00 H new ATOM 0 HA ASP A 8 0.009 1.402 -8.985 1.00 10.00 H new ATOM 0 HB2 ASP A 8 0.719 3.897 -9.750 1.00 10.00 H new ATOM 0 HB3 ASP A 8 2.122 3.011 -10.313 1.00 10.00 H new ATOM 127 N ILE A 9 1.789 -0.336 -9.135 1.00 10.00 N ATOM 128 CA ILE A 9 2.548 -1.500 -8.700 1.00 10.00 C ATOM 129 C ILE A 9 3.266 -2.174 -9.862 1.00 10.00 C ATOM 130 O ILE A 9 2.715 -2.278 -10.955 1.00 10.00 O ATOM 131 CB ILE A 9 1.599 -2.523 -8.041 1.00 10.00 C ATOM 132 CG1 ILE A 9 0.428 -1.899 -7.271 1.00 10.00 C ATOM 133 CG2 ILE A 9 2.393 -3.414 -7.087 1.00 10.00 C ATOM 134 CD1 ILE A 9 0.924 -0.973 -6.175 1.00 10.00 C ATOM 0 H ILE A 9 1.003 -0.572 -9.741 1.00 10.00 H new ATOM 0 HA ILE A 9 3.296 -1.156 -7.986 1.00 10.00 H new ATOM 0 HB ILE A 9 1.163 -3.094 -8.861 1.00 10.00 H new ATOM 0 HG12 ILE A 9 -0.209 -1.344 -7.960 1.00 10.00 H new ATOM 0 HG13 ILE A 9 -0.185 -2.687 -6.835 1.00 10.00 H new ATOM 0 HG21 ILE A 9 1.723 -4.137 -6.621 1.00 10.00 H new ATOM 0 HG22 ILE A 9 3.167 -3.943 -7.643 1.00 10.00 H new ATOM 0 HG23 ILE A 9 2.856 -2.799 -6.315 1.00 10.00 H new ATOM 0 HD11 ILE A 9 0.072 -0.546 -5.647 1.00 10.00 H new ATOM 0 HD12 ILE A 9 1.540 -1.536 -5.474 1.00 10.00 H new ATOM 0 HD13 ILE A 9 1.516 -0.172 -6.616 1.00 10.00 H new ATOM 146 N GLU A 10 4.467 -2.692 -9.591 1.00 10.00 N ATOM 147 CA GLU A 10 5.207 -3.553 -10.483 1.00 10.00 C ATOM 148 C GLU A 10 5.627 -4.801 -9.701 1.00 10.00 C ATOM 149 O GLU A 10 6.599 -4.748 -8.944 1.00 10.00 O ATOM 150 CB GLU A 10 6.432 -2.777 -10.973 1.00 10.00 C ATOM 151 CG GLU A 10 6.062 -1.646 -11.941 1.00 10.00 C ATOM 152 CD GLU A 10 7.303 -0.880 -12.378 1.00 10.00 C ATOM 153 OE1 GLU A 10 7.902 -0.226 -11.496 1.00 10.00 O ATOM 154 OE2 GLU A 10 7.648 -0.983 -13.575 1.00 10.00 O ATOM 0 H GLU A 10 4.956 -2.511 -8.714 1.00 10.00 H new ATOM 0 HA GLU A 10 4.610 -3.859 -11.342 1.00 10.00 H new ATOM 0 HB2 GLU A 10 6.960 -2.359 -10.116 1.00 10.00 H new ATOM 0 HB3 GLU A 10 7.119 -3.464 -11.467 1.00 10.00 H new ATOM 0 HG2 GLU A 10 5.558 -2.059 -12.815 1.00 10.00 H new ATOM 0 HG3 GLU A 10 5.360 -0.965 -11.460 1.00 10.00 H new ATOM 161 N GLY A 11 4.913 -5.921 -9.875 1.00 10.00 N ATOM 162 CA GLY A 11 5.376 -7.226 -9.415 1.00 10.00 C ATOM 163 C GLY A 11 4.240 -8.125 -8.935 1.00 10.00 C ATOM 164 O GLY A 11 3.928 -9.132 -9.566 1.00 10.00 O ATOM 0 H GLY A 11 4.004 -5.943 -10.337 1.00 10.00 H new ATOM 0 HA2 GLY A 11 5.908 -7.723 -10.226 1.00 10.00 H new ATOM 0 HA3 GLY A 11 6.090 -7.087 -8.603 1.00 10.00 H new ATOM 168 N MET A 12 3.665 -7.802 -7.777 1.00 10.00 N ATOM 169 CA MET A 12 2.669 -8.648 -7.136 1.00 10.00 C ATOM 170 C MET A 12 1.397 -8.713 -7.994 1.00 10.00 C ATOM 171 O MET A 12 0.733 -7.701 -8.194 1.00 10.00 O ATOM 172 CB MET A 12 2.422 -8.142 -5.707 1.00 10.00 C ATOM 173 CG MET A 12 1.626 -6.840 -5.659 1.00 10.00 C ATOM 174 SD MET A 12 1.544 -6.047 -4.049 1.00 10.00 S ATOM 175 CE MET A 12 -0.030 -5.180 -4.232 1.00 10.00 C ATOM 0 H MET A 12 3.878 -6.948 -7.261 1.00 10.00 H new ATOM 0 HA MET A 12 3.029 -9.674 -7.055 1.00 10.00 H new ATOM 0 HB2 MET A 12 1.888 -8.908 -5.145 1.00 10.00 H new ATOM 0 HB3 MET A 12 3.381 -7.993 -5.211 1.00 10.00 H new ATOM 0 HG2 MET A 12 2.065 -6.139 -6.369 1.00 10.00 H new ATOM 0 HG3 MET A 12 0.610 -7.042 -5.998 1.00 10.00 H new ATOM 0 HE1 MET A 12 -0.318 -4.744 -3.276 1.00 10.00 H new ATOM 0 HE2 MET A 12 0.074 -4.389 -4.975 1.00 10.00 H new ATOM 0 HE3 MET A 12 -0.797 -5.883 -4.556 1.00 10.00 H new ATOM 185 N THR A 13 1.058 -9.892 -8.521 1.00 10.00 N ATOM 186 CA THR A 13 -0.085 -10.036 -9.414 1.00 10.00 C ATOM 187 C THR A 13 -0.730 -11.414 -9.205 1.00 10.00 C ATOM 188 O THR A 13 -0.813 -12.230 -10.119 1.00 10.00 O ATOM 189 CB THR A 13 0.362 -9.662 -10.848 1.00 10.00 C ATOM 190 OG1 THR A 13 -0.742 -9.483 -11.711 1.00 10.00 O ATOM 191 CG2 THR A 13 1.376 -10.623 -11.482 1.00 10.00 C ATOM 0 H THR A 13 1.563 -10.760 -8.342 1.00 10.00 H new ATOM 0 HA THR A 13 -0.897 -9.343 -9.193 1.00 10.00 H new ATOM 0 HB THR A 13 0.885 -8.714 -10.723 1.00 10.00 H new ATOM 0 HG1 THR A 13 -0.505 -8.846 -12.417 1.00 10.00 H new ATOM 0 HG21 THR A 13 1.627 -10.277 -12.485 1.00 10.00 H new ATOM 0 HG22 THR A 13 2.279 -10.654 -10.872 1.00 10.00 H new ATOM 0 HG23 THR A 13 0.943 -11.622 -11.541 1.00 10.00 H new ATOM 199 N CYS A 14 -1.186 -11.694 -7.971 1.00 10.00 N ATOM 200 CA CYS A 14 -1.938 -12.916 -7.675 1.00 10.00 C ATOM 201 C CYS A 14 -3.040 -12.594 -6.672 1.00 10.00 C ATOM 202 O CYS A 14 -4.187 -12.400 -7.057 1.00 10.00 O ATOM 203 CB CYS A 14 -1.033 -14.046 -7.143 1.00 10.00 C ATOM 204 SG CYS A 14 -0.540 -15.185 -8.457 1.00 10.00 S ATOM 0 H CYS A 14 -1.044 -11.086 -7.164 1.00 10.00 H new ATOM 0 HA CYS A 14 -2.376 -13.279 -8.605 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -0.144 -13.614 -6.684 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -1.559 -14.596 -6.363 1.00 10.00 H new ATOM 0 HG CYS A 14 0.221 -16.115 -7.962 1.00 10.00 H new ATOM 210 N ALA A 15 -2.685 -12.554 -5.385 1.00 10.00 N ATOM 211 CA ALA A 15 -3.622 -12.403 -4.276 1.00 10.00 C ATOM 212 C ALA A 15 -2.875 -12.475 -2.951 1.00 10.00 C ATOM 213 O ALA A 15 -3.067 -11.614 -2.107 1.00 10.00 O ATOM 214 CB ALA A 15 -4.732 -13.463 -4.304 1.00 10.00 C ATOM 0 H ALA A 15 -1.714 -12.628 -5.081 1.00 10.00 H new ATOM 0 HA ALA A 15 -4.097 -11.428 -4.383 1.00 10.00 H new ATOM 0 HB1 ALA A 15 -5.404 -13.309 -3.459 1.00 10.00 H new ATOM 0 HB2 ALA A 15 -5.293 -13.377 -5.234 1.00 10.00 H new ATOM 0 HB3 ALA A 15 -4.288 -14.456 -4.238 1.00 10.00 H new ATOM 220 N ALA A 16 -2.001 -13.468 -2.760 1.00 10.00 N ATOM 221 CA ALA A 16 -1.282 -13.645 -1.505 1.00 10.00 C ATOM 222 C ALA A 16 -0.254 -12.527 -1.369 1.00 10.00 C ATOM 223 O ALA A 16 -0.161 -11.838 -0.352 1.00 10.00 O ATOM 224 CB ALA A 16 -0.603 -15.019 -1.507 1.00 10.00 C ATOM 0 H ALA A 16 -1.776 -14.165 -3.470 1.00 10.00 H new ATOM 0 HA ALA A 16 -1.966 -13.599 -0.657 1.00 10.00 H new ATOM 0 HB1 ALA A 16 -0.063 -15.159 -0.571 1.00 10.00 H new ATOM 0 HB2 ALA A 16 -1.358 -15.798 -1.610 1.00 10.00 H new ATOM 0 HB3 ALA A 16 0.096 -15.078 -2.342 1.00 10.00 H new ATOM 230 N CYS A 17 0.507 -12.352 -2.449 1.00 10.00 N ATOM 231 CA CYS A 17 1.547 -11.349 -2.569 1.00 10.00 C ATOM 232 C CYS A 17 0.989 -9.936 -2.389 1.00 10.00 C ATOM 233 O CYS A 17 1.655 -9.085 -1.799 1.00 10.00 O ATOM 234 CB CYS A 17 2.306 -11.535 -3.890 1.00 10.00 C ATOM 235 SG CYS A 17 1.180 -11.499 -5.309 1.00 10.00 S ATOM 0 H CYS A 17 0.408 -12.926 -3.287 1.00 10.00 H new ATOM 0 HA CYS A 17 2.266 -11.484 -1.761 1.00 10.00 H new ATOM 0 HB2 CYS A 17 3.053 -10.748 -3.996 1.00 10.00 H new ATOM 0 HB3 CYS A 17 2.842 -12.484 -3.873 1.00 10.00 H new ATOM 0 HG CYS A 17 1.859 -11.657 -6.406 1.00 10.00 H new ATOM 241 N ALA A 18 -0.244 -9.712 -2.855 1.00 10.00 N ATOM 242 CA ALA A 18 -0.997 -8.489 -2.626 1.00 10.00 C ATOM 243 C ALA A 18 -1.458 -8.402 -1.169 1.00 10.00 C ATOM 244 O ALA A 18 -1.117 -7.465 -0.458 1.00 10.00 O ATOM 245 CB ALA A 18 -2.169 -8.438 -3.608 1.00 10.00 C ATOM 0 H ALA A 18 -0.752 -10.397 -3.415 1.00 10.00 H new ATOM 0 HA ALA A 18 -0.362 -7.621 -2.802 1.00 10.00 H new ATOM 0 HB1 ALA A 18 -2.741 -7.524 -3.445 1.00 10.00 H new ATOM 0 HB2 ALA A 18 -1.789 -8.451 -4.629 1.00 10.00 H new ATOM 0 HB3 ALA A 18 -2.814 -9.303 -3.450 1.00 10.00 H new ATOM 251 N ASN A 19 -2.207 -9.404 -0.714 1.00 10.00 N ATOM 252 CA ASN A 19 -2.723 -9.520 0.655 1.00 10.00 C ATOM 253 C ASN A 19 -1.665 -9.153 1.700 1.00 10.00 C ATOM 254 O ASN A 19 -1.935 -8.446 2.668 1.00 10.00 O ATOM 255 CB ASN A 19 -3.261 -10.942 0.885 1.00 10.00 C ATOM 256 CG ASN A 19 -3.294 -11.358 2.354 1.00 10.00 C ATOM 257 OD1 ASN A 19 -2.136 -11.733 2.896 1.00 10.00 O flip ATOM 258 ND2 ASN A 19 -4.339 -11.390 2.991 1.00 10.00 N flip ATOM 0 H ASN A 19 -2.483 -10.187 -1.307 1.00 10.00 H new ATOM 0 HA ASN A 19 -3.538 -8.806 0.774 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -4.269 -11.010 0.475 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -2.643 -11.648 0.331 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -5.212 -11.097 2.553 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -4.336 -11.709 3.960 1.00 10.00 H new ATOM 265 N ARG A 20 -0.446 -9.661 1.516 1.00 10.00 N ATOM 266 CA ARG A 20 0.669 -9.452 2.417 1.00 10.00 C ATOM 267 C ARG A 20 0.867 -7.957 2.667 1.00 10.00 C ATOM 268 O ARG A 20 1.136 -7.552 3.799 1.00 10.00 O ATOM 269 CB ARG A 20 1.898 -10.142 1.806 1.00 10.00 C ATOM 270 CG ARG A 20 3.022 -10.434 2.808 1.00 10.00 C ATOM 271 CD ARG A 20 3.855 -11.615 2.285 1.00 10.00 C ATOM 272 NE ARG A 20 5.174 -11.699 2.935 1.00 10.00 N ATOM 273 CZ ARG A 20 6.092 -12.647 2.673 1.00 10.00 C ATOM 274 NH1 ARG A 20 5.806 -13.630 1.811 1.00 10.00 N ATOM 275 NH2 ARG A 20 7.287 -12.612 3.274 1.00 10.00 N ATOM 0 H ARG A 20 -0.209 -10.243 0.713 1.00 10.00 H new ATOM 0 HA ARG A 20 0.486 -9.892 3.397 1.00 10.00 H new ATOM 0 HB2 ARG A 20 1.583 -11.080 1.348 1.00 10.00 H new ATOM 0 HB3 ARG A 20 2.293 -9.514 1.008 1.00 10.00 H new ATOM 0 HG2 ARG A 20 3.653 -9.554 2.935 1.00 10.00 H new ATOM 0 HG3 ARG A 20 2.604 -10.671 3.786 1.00 10.00 H new ATOM 0 HD2 ARG A 20 3.310 -12.544 2.453 1.00 10.00 H new ATOM 0 HD3 ARG A 20 3.989 -11.514 1.208 1.00 10.00 H new ATOM 0 HE ARG A 20 5.407 -10.991 3.631 1.00 10.00 H new ATOM 0 HH11 ARG A 20 4.894 -13.659 1.355 1.00 10.00 H new ATOM 0 HH12 ARG A 20 6.500 -14.350 1.610 1.00 10.00 H new ATOM 0 HH21 ARG A 20 7.505 -11.865 3.933 1.00 10.00 H new ATOM 0 HH22 ARG A 20 7.980 -13.333 3.073 1.00 10.00 H new ATOM 289 N ILE A 21 0.679 -7.142 1.624 1.00 10.00 N ATOM 290 CA ILE A 21 0.719 -5.693 1.722 1.00 10.00 C ATOM 291 C ILE A 21 -0.322 -5.189 2.697 1.00 10.00 C ATOM 292 O ILE A 21 0.025 -4.348 3.508 1.00 10.00 O ATOM 293 CB ILE A 21 0.508 -5.000 0.368 1.00 10.00 C ATOM 294 CG1 ILE A 21 1.423 -5.566 -0.708 1.00 10.00 C ATOM 295 CG2 ILE A 21 0.725 -3.480 0.465 1.00 10.00 C ATOM 296 CD1 ILE A 21 2.884 -5.558 -0.248 1.00 10.00 C ATOM 0 H ILE A 21 0.493 -7.481 0.680 1.00 10.00 H new ATOM 0 HA ILE A 21 1.718 -5.444 2.079 1.00 10.00 H new ATOM 0 HB ILE A 21 -0.528 -5.194 0.088 1.00 10.00 H new ATOM 0 HG12 ILE A 21 1.120 -6.585 -0.949 1.00 10.00 H new ATOM 0 HG13 ILE A 21 1.323 -4.979 -1.621 1.00 10.00 H new ATOM 0 HG21 ILE A 21 0.566 -3.027 -0.513 1.00 10.00 H new ATOM 0 HG22 ILE A 21 0.019 -3.057 1.180 1.00 10.00 H new ATOM 0 HG23 ILE A 21 1.743 -3.278 0.798 1.00 10.00 H new ATOM 0 HD11 ILE A 21 3.516 -5.968 -1.036 1.00 10.00 H new ATOM 0 HD12 ILE A 21 3.192 -4.535 -0.031 1.00 10.00 H new ATOM 0 HD13 ILE A 21 2.986 -6.166 0.651 1.00 10.00 H new ATOM 308 N GLU A 22 -1.565 -5.670 2.641 1.00 10.00 N ATOM 309 CA GLU A 22 -2.630 -5.178 3.507 1.00 10.00 C ATOM 310 C GLU A 22 -2.156 -5.176 4.960 1.00 10.00 C ATOM 311 O GLU A 22 -2.216 -4.158 5.646 1.00 10.00 O ATOM 312 CB GLU A 22 -3.901 -6.025 3.340 1.00 10.00 C ATOM 313 CG GLU A 22 -4.353 -6.100 1.876 1.00 10.00 C ATOM 314 CD GLU A 22 -5.726 -6.744 1.749 1.00 10.00 C ATOM 315 OE1 GLU A 22 -6.684 -6.133 2.267 1.00 10.00 O ATOM 316 OE2 GLU A 22 -5.788 -7.832 1.137 1.00 10.00 O ATOM 0 H GLU A 22 -1.857 -6.406 1.998 1.00 10.00 H new ATOM 0 HA GLU A 22 -2.876 -4.155 3.221 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -3.718 -7.032 3.715 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -4.702 -5.600 3.945 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -4.380 -5.097 1.450 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -3.627 -6.672 1.299 1.00 10.00 H new ATOM 323 N LYS A 23 -1.611 -6.311 5.404 1.00 10.00 N ATOM 324 CA LYS A 23 -1.087 -6.497 6.742 1.00 10.00 C ATOM 325 C LYS A 23 0.167 -5.641 6.940 1.00 10.00 C ATOM 326 O LYS A 23 0.293 -4.947 7.948 1.00 10.00 O ATOM 327 CB LYS A 23 -0.832 -7.991 6.961 1.00 10.00 C ATOM 328 CG LYS A 23 -0.437 -8.310 8.412 1.00 10.00 C ATOM 329 CD LYS A 23 1.052 -8.643 8.578 1.00 10.00 C ATOM 330 CE LYS A 23 1.407 -9.957 7.858 1.00 10.00 C ATOM 331 NZ LYS A 23 2.681 -10.532 8.337 1.00 10.00 N ATOM 0 H LYS A 23 -1.524 -7.143 4.820 1.00 10.00 H new ATOM 0 HA LYS A 23 -1.805 -6.165 7.492 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -1.729 -8.552 6.699 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -0.040 -8.324 6.290 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -0.684 -7.457 9.044 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -1.032 -9.152 8.766 1.00 10.00 H new ATOM 0 HD2 LYS A 23 1.657 -7.830 8.177 1.00 10.00 H new ATOM 0 HD3 LYS A 23 1.293 -8.728 9.638 1.00 10.00 H new ATOM 0 HE2 LYS A 23 0.605 -10.680 8.009 1.00 10.00 H new ATOM 0 HE3 LYS A 23 1.474 -9.775 6.785 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 2.878 -11.415 7.824 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 3.452 -9.855 8.170 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 2.611 -10.732 9.355 1.00 10.00 H new ATOM 345 N ARG A 24 1.104 -5.688 5.986 1.00 10.00 N ATOM 346 CA ARG A 24 2.312 -4.865 6.061 1.00 10.00 C ATOM 347 C ARG A 24 1.997 -3.363 6.146 1.00 10.00 C ATOM 348 O ARG A 24 2.771 -2.616 6.729 1.00 10.00 O ATOM 349 CB ARG A 24 3.274 -5.172 4.899 1.00 10.00 C ATOM 350 CG ARG A 24 4.616 -5.728 5.397 1.00 10.00 C ATOM 351 CD ARG A 24 5.462 -4.705 6.179 1.00 10.00 C ATOM 352 NE ARG A 24 5.944 -5.229 7.466 1.00 10.00 N ATOM 353 CZ ARG A 24 6.855 -6.203 7.610 1.00 10.00 C ATOM 354 NH1 ARG A 24 7.385 -6.777 6.525 1.00 10.00 N ATOM 355 NH2 ARG A 24 7.220 -6.606 8.833 1.00 10.00 N ATOM 0 H ARG A 24 1.048 -6.283 5.160 1.00 10.00 H new ATOM 0 HA ARG A 24 2.814 -5.132 6.991 1.00 10.00 H new ATOM 0 HB2 ARG A 24 2.811 -5.892 4.225 1.00 10.00 H new ATOM 0 HB3 ARG A 24 3.449 -4.263 4.323 1.00 10.00 H new ATOM 0 HG2 ARG A 24 4.427 -6.592 6.034 1.00 10.00 H new ATOM 0 HG3 ARG A 24 5.191 -6.083 4.542 1.00 10.00 H new ATOM 0 HD2 ARG A 24 6.316 -4.406 5.571 1.00 10.00 H new ATOM 0 HD3 ARG A 24 4.868 -3.809 6.356 1.00 10.00 H new ATOM 0 HE ARG A 24 5.555 -4.820 8.316 1.00 10.00 H new ATOM 0 HH11 ARG A 24 7.096 -6.474 5.595 1.00 10.00 H new ATOM 0 HH12 ARG A 24 8.078 -7.518 6.627 1.00 10.00 H new ATOM 0 HH21 ARG A 24 6.805 -6.172 9.658 1.00 10.00 H new ATOM 0 HH22 ARG A 24 7.913 -7.347 8.940 1.00 10.00 H new ATOM 369 N LEU A 25 0.876 -2.923 5.581 1.00 10.00 N ATOM 370 CA LEU A 25 0.384 -1.559 5.659 1.00 10.00 C ATOM 371 C LEU A 25 -0.312 -1.349 6.999 1.00 10.00 C ATOM 372 O LEU A 25 -0.087 -0.343 7.665 1.00 10.00 O ATOM 373 CB LEU A 25 -0.560 -1.264 4.488 1.00 10.00 C ATOM 374 CG LEU A 25 0.105 -0.364 3.428 1.00 10.00 C ATOM 375 CD1 LEU A 25 -0.615 -0.559 2.096 1.00 10.00 C ATOM 376 CD2 LEU A 25 -0.110 1.096 3.841 1.00 10.00 C ATOM 0 H LEU A 25 0.266 -3.533 5.037 1.00 10.00 H new ATOM 0 HA LEU A 25 1.221 -0.864 5.589 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -0.870 -2.201 4.026 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -1.462 -0.780 4.862 1.00 10.00 H new ATOM 0 HG LEU A 25 1.164 -0.609 3.342 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -0.154 0.073 1.337 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -0.542 -1.603 1.792 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -1.664 -0.286 2.206 1.00 10.00 H new ATOM 0 HD21 LEU A 25 0.352 1.754 3.105 1.00 10.00 H new ATOM 0 HD22 LEU A 25 -1.178 1.305 3.895 1.00 10.00 H new ATOM 0 HD23 LEU A 25 0.343 1.268 4.817 1.00 10.00 H new ATOM 388 N ASN A 26 -1.126 -2.326 7.415 1.00 10.00 N ATOM 389 CA ASN A 26 -1.847 -2.302 8.685 1.00 10.00 C ATOM 390 C ASN A 26 -0.870 -2.139 9.847 1.00 10.00 C ATOM 391 O ASN A 26 -1.239 -1.691 10.927 1.00 10.00 O ATOM 392 CB ASN A 26 -2.698 -3.569 8.879 1.00 10.00 C ATOM 393 CG ASN A 26 -4.158 -3.228 9.147 1.00 10.00 C ATOM 394 OD1 ASN A 26 -4.643 -3.369 10.263 1.00 10.00 O ATOM 395 ND2 ASN A 26 -4.873 -2.793 8.111 1.00 10.00 N ATOM 0 H ASN A 26 -1.303 -3.168 6.867 1.00 10.00 H new ATOM 0 HA ASN A 26 -2.523 -1.448 8.664 1.00 10.00 H new ATOM 0 HB2 ASN A 26 -2.627 -4.195 7.990 1.00 10.00 H new ATOM 0 HB3 ASN A 26 -2.301 -4.151 9.711 1.00 10.00 H new ATOM 0 HD21 ASN A 26 -5.860 -2.565 8.232 1.00 10.00 H new ATOM 0 HD22 ASN A 26 -4.434 -2.688 7.196 1.00 10.00 H new ATOM 402 N LYS A 27 0.382 -2.547 9.628 1.00 10.00 N ATOM 403 CA LYS A 27 1.455 -2.316 10.574 1.00 10.00 C ATOM 404 C LYS A 27 1.762 -0.840 10.849 1.00 10.00 C ATOM 405 O LYS A 27 2.118 -0.526 11.981 1.00 10.00 O ATOM 406 CB LYS A 27 2.706 -3.083 10.134 1.00 10.00 C ATOM 407 CG LYS A 27 2.719 -4.552 10.575 1.00 10.00 C ATOM 408 CD LYS A 27 2.597 -4.670 12.103 1.00 10.00 C ATOM 409 CE LYS A 27 1.169 -5.073 12.516 1.00 10.00 C ATOM 410 NZ LYS A 27 0.805 -4.530 13.845 1.00 10.00 N ATOM 0 H LYS A 27 0.672 -3.046 8.787 1.00 10.00 H new ATOM 0 HA LYS A 27 1.106 -2.698 11.533 1.00 10.00 H new ATOM 0 HB2 LYS A 27 2.784 -3.039 9.048 1.00 10.00 H new ATOM 0 HB3 LYS A 27 3.587 -2.584 10.538 1.00 10.00 H new ATOM 0 HG2 LYS A 27 1.896 -5.086 10.099 1.00 10.00 H new ATOM 0 HG3 LYS A 27 3.642 -5.027 10.243 1.00 10.00 H new ATOM 0 HD2 LYS A 27 3.308 -5.410 12.472 1.00 10.00 H new ATOM 0 HD3 LYS A 27 2.858 -3.718 12.566 1.00 10.00 H new ATOM 0 HE2 LYS A 27 0.460 -4.713 11.770 1.00 10.00 H new ATOM 0 HE3 LYS A 27 1.089 -6.160 12.534 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 -0.163 -4.823 14.087 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 1.466 -4.893 14.561 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 0.856 -3.492 13.822 1.00 10.00 H new ATOM 424 N ILE A 28 1.679 0.055 9.863 1.00 10.00 N ATOM 425 CA ILE A 28 1.897 1.470 10.096 1.00 10.00 C ATOM 426 C ILE A 28 0.844 2.002 11.066 1.00 10.00 C ATOM 427 O ILE A 28 -0.348 1.811 10.854 1.00 10.00 O ATOM 428 CB ILE A 28 1.867 2.215 8.753 1.00 10.00 C ATOM 429 CG1 ILE A 28 3.074 1.792 7.904 1.00 10.00 C ATOM 430 CG2 ILE A 28 1.922 3.730 8.975 1.00 10.00 C ATOM 431 CD1 ILE A 28 2.795 0.703 6.884 1.00 10.00 C ATOM 0 H ILE A 28 1.461 -0.183 8.895 1.00 10.00 H new ATOM 0 HA ILE A 28 2.874 1.632 10.551 1.00 10.00 H new ATOM 0 HB ILE A 28 0.939 1.963 8.239 1.00 10.00 H new ATOM 0 HG12 ILE A 28 3.456 2.669 7.381 1.00 10.00 H new ATOM 0 HG13 ILE A 28 3.865 1.449 8.571 1.00 10.00 H new ATOM 0 HG21 ILE A 28 1.900 4.240 8.012 1.00 10.00 H new ATOM 0 HG22 ILE A 28 1.064 4.042 9.571 1.00 10.00 H new ATOM 0 HG23 ILE A 28 2.841 3.988 9.501 1.00 10.00 H new ATOM 0 HD11 ILE A 28 3.709 0.475 6.336 1.00 10.00 H new ATOM 0 HD12 ILE A 28 2.446 -0.194 7.396 1.00 10.00 H new ATOM 0 HD13 ILE A 28 2.030 1.045 6.187 1.00 10.00 H new ATOM 443 N GLU A 29 1.284 2.695 12.116 1.00 10.00 N ATOM 444 CA GLU A 29 0.396 3.212 13.141 1.00 10.00 C ATOM 445 C GLU A 29 -0.727 4.081 12.559 1.00 10.00 C ATOM 446 O GLU A 29 -1.897 3.856 12.858 1.00 10.00 O ATOM 447 CB GLU A 29 1.214 3.978 14.191 1.00 10.00 C ATOM 448 CG GLU A 29 2.168 3.059 14.972 1.00 10.00 C ATOM 449 CD GLU A 29 1.417 2.081 15.872 1.00 10.00 C ATOM 450 OE1 GLU A 29 0.665 2.579 16.737 1.00 10.00 O ATOM 451 OE2 GLU A 29 1.604 0.860 15.678 1.00 10.00 O ATOM 0 H GLU A 29 2.268 2.911 12.274 1.00 10.00 H new ATOM 0 HA GLU A 29 -0.097 2.366 13.620 1.00 10.00 H new ATOM 0 HB2 GLU A 29 1.790 4.762 13.699 1.00 10.00 H new ATOM 0 HB3 GLU A 29 0.536 4.471 14.888 1.00 10.00 H new ATOM 0 HG2 GLU A 29 2.789 2.502 14.270 1.00 10.00 H new ATOM 0 HG3 GLU A 29 2.840 3.666 15.579 1.00 10.00 H new ATOM 458 N GLY A 30 -0.418 5.079 11.720 1.00 10.00 N ATOM 459 CA GLY A 30 -1.414 6.046 11.294 1.00 10.00 C ATOM 460 C GLY A 30 -2.240 5.545 10.118 1.00 10.00 C ATOM 461 O GLY A 30 -2.558 6.324 9.228 1.00 10.00 O ATOM 0 H GLY A 30 0.512 5.230 11.329 1.00 10.00 H new ATOM 0 HA2 GLY A 30 -2.076 6.274 12.129 1.00 10.00 H new ATOM 0 HA3 GLY A 30 -0.918 6.976 11.017 1.00 10.00 H new ATOM 465 N VAL A 31 -2.568 4.259 10.080 1.00 10.00 N ATOM 466 CA VAL A 31 -3.296 3.642 8.995 1.00 10.00 C ATOM 467 C VAL A 31 -4.741 3.417 9.433 1.00 10.00 C ATOM 468 O VAL A 31 -5.020 3.315 10.626 1.00 10.00 O ATOM 469 CB VAL A 31 -2.559 2.350 8.631 1.00 10.00 C ATOM 470 CG1 VAL A 31 -2.909 1.197 9.576 1.00 10.00 C ATOM 471 CG2 VAL A 31 -2.794 1.978 7.173 1.00 10.00 C ATOM 0 H VAL A 31 -2.326 3.606 10.825 1.00 10.00 H new ATOM 0 HA VAL A 31 -3.339 4.270 8.105 1.00 10.00 H new ATOM 0 HB VAL A 31 -1.493 2.539 8.757 1.00 10.00 H new ATOM 0 HG11 VAL A 31 -2.362 0.303 9.277 1.00 10.00 H new ATOM 0 HG12 VAL A 31 -2.635 1.466 10.596 1.00 10.00 H new ATOM 0 HG13 VAL A 31 -3.980 1.000 9.528 1.00 10.00 H new ATOM 0 HG21 VAL A 31 -2.259 1.057 6.942 1.00 10.00 H new ATOM 0 HG22 VAL A 31 -3.860 1.831 7.002 1.00 10.00 H new ATOM 0 HG23 VAL A 31 -2.431 2.780 6.530 1.00 10.00 H new ATOM 481 N ALA A 32 -5.659 3.340 8.470 1.00 10.00 N ATOM 482 CA ALA A 32 -7.033 2.931 8.718 1.00 10.00 C ATOM 483 C ALA A 32 -7.339 1.694 7.888 1.00 10.00 C ATOM 484 O ALA A 32 -7.704 0.661 8.440 1.00 10.00 O ATOM 485 CB ALA A 32 -7.992 4.075 8.395 1.00 10.00 C ATOM 0 H ALA A 32 -5.465 3.561 7.493 1.00 10.00 H new ATOM 0 HA ALA A 32 -7.164 2.685 9.772 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -9.017 3.755 8.585 1.00 10.00 H new ATOM 0 HB2 ALA A 32 -7.758 4.935 9.023 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -7.887 4.353 7.346 1.00 10.00 H new ATOM 491 N ASN A 33 -7.198 1.799 6.563 1.00 10.00 N ATOM 492 CA ASN A 33 -7.588 0.733 5.649 1.00 10.00 C ATOM 493 C ASN A 33 -6.534 0.610 4.560 1.00 10.00 C ATOM 494 O ASN A 33 -5.832 1.576 4.266 1.00 10.00 O ATOM 495 CB ASN A 33 -8.965 1.018 5.025 1.00 10.00 C ATOM 496 CG ASN A 33 -10.065 1.251 6.057 1.00 10.00 C ATOM 497 OD1 ASN A 33 -10.403 0.350 6.815 1.00 10.00 O ATOM 498 ND2 ASN A 33 -10.653 2.444 6.094 1.00 10.00 N ATOM 0 H ASN A 33 -6.812 2.622 6.101 1.00 10.00 H new ATOM 0 HA ASN A 33 -7.662 -0.203 6.203 1.00 10.00 H new ATOM 0 HB2 ASN A 33 -8.889 1.895 4.382 1.00 10.00 H new ATOM 0 HB3 ASN A 33 -9.247 0.180 4.388 1.00 10.00 H new ATOM 0 HD21 ASN A 33 -11.402 2.623 6.763 1.00 10.00 H new ATOM 0 HD22 ASN A 33 -10.355 3.180 5.453 1.00 10.00 H new ATOM 505 N ALA A 34 -6.429 -0.569 3.945 1.00 10.00 N ATOM 506 CA ALA A 34 -5.564 -0.780 2.791 1.00 10.00 C ATOM 507 C ALA A 34 -6.053 -1.917 1.886 1.00 10.00 C ATOM 508 O ALA A 34 -5.307 -2.865 1.666 1.00 10.00 O ATOM 509 CB ALA A 34 -4.131 -1.030 3.274 1.00 10.00 C ATOM 0 H ALA A 34 -6.942 -1.402 4.235 1.00 10.00 H new ATOM 0 HA ALA A 34 -5.591 0.121 2.178 1.00 10.00 H new ATOM 0 HB1 ALA A 34 -3.480 -1.189 2.414 1.00 10.00 H new ATOM 0 HB2 ALA A 34 -3.782 -0.166 3.839 1.00 10.00 H new ATOM 0 HB3 ALA A 34 -4.111 -1.913 3.912 1.00 10.00 H new ATOM 515 N PRO A 35 -7.278 -1.852 1.341 1.00 10.00 N ATOM 516 CA PRO A 35 -7.816 -2.903 0.492 1.00 10.00 C ATOM 517 C PRO A 35 -7.151 -2.851 -0.890 1.00 10.00 C ATOM 518 O PRO A 35 -7.723 -2.317 -1.839 1.00 10.00 O ATOM 519 CB PRO A 35 -9.322 -2.621 0.438 1.00 10.00 C ATOM 520 CG PRO A 35 -9.393 -1.096 0.548 1.00 10.00 C ATOM 521 CD PRO A 35 -8.244 -0.777 1.505 1.00 10.00 C ATOM 0 HA PRO A 35 -7.625 -3.908 0.868 1.00 10.00 H new ATOM 0 HB2 PRO A 35 -9.766 -2.979 -0.491 1.00 10.00 H new ATOM 0 HB3 PRO A 35 -9.853 -3.109 1.255 1.00 10.00 H new ATOM 0 HG2 PRO A 35 -9.260 -0.613 -0.420 1.00 10.00 H new ATOM 0 HG3 PRO A 35 -10.353 -0.762 0.942 1.00 10.00 H new ATOM 0 HD2 PRO A 35 -7.797 0.189 1.270 1.00 10.00 H new ATOM 0 HD3 PRO A 35 -8.597 -0.723 2.535 1.00 10.00 H new ATOM 529 N VAL A 36 -5.930 -3.378 -1.013 1.00 10.00 N ATOM 530 CA VAL A 36 -5.197 -3.371 -2.268 1.00 10.00 C ATOM 531 C VAL A 36 -5.902 -4.188 -3.353 1.00 10.00 C ATOM 532 O VAL A 36 -6.655 -5.115 -3.052 1.00 10.00 O ATOM 533 CB VAL A 36 -3.770 -3.879 -2.031 1.00 10.00 C ATOM 534 CG1 VAL A 36 -3.134 -3.174 -0.827 1.00 10.00 C ATOM 535 CG2 VAL A 36 -3.721 -5.393 -1.813 1.00 10.00 C ATOM 0 H VAL A 36 -5.428 -3.819 -0.243 1.00 10.00 H new ATOM 0 HA VAL A 36 -5.157 -2.345 -2.633 1.00 10.00 H new ATOM 0 HB VAL A 36 -3.205 -3.648 -2.934 1.00 10.00 H new ATOM 0 HG11 VAL A 36 -2.122 -3.550 -0.678 1.00 10.00 H new ATOM 0 HG12 VAL A 36 -3.098 -2.100 -1.011 1.00 10.00 H new ATOM 0 HG13 VAL A 36 -3.729 -3.370 0.065 1.00 10.00 H new ATOM 0 HG21 VAL A 36 -2.689 -5.704 -1.650 1.00 10.00 H new ATOM 0 HG22 VAL A 36 -4.321 -5.655 -0.942 1.00 10.00 H new ATOM 0 HG23 VAL A 36 -4.118 -5.900 -2.692 1.00 10.00 H new ATOM 545 N ASN A 37 -5.618 -3.886 -4.625 1.00 10.00 N ATOM 546 CA ASN A 37 -6.264 -4.574 -5.735 1.00 10.00 C ATOM 547 C ASN A 37 -5.364 -5.678 -6.278 1.00 10.00 C ATOM 548 O ASN A 37 -4.255 -5.410 -6.737 1.00 10.00 O ATOM 549 CB ASN A 37 -6.613 -3.590 -6.848 1.00 10.00 C ATOM 550 CG ASN A 37 -7.572 -2.508 -6.375 1.00 10.00 C ATOM 551 OD1 ASN A 37 -7.142 -1.257 -6.445 1.00 10.00 O flip ATOM 552 ND2 ASN A 37 -8.690 -2.800 -5.962 1.00 10.00 N flip ATOM 0 H ASN A 37 -4.946 -3.171 -4.905 1.00 10.00 H new ATOM 0 HA ASN A 37 -7.185 -5.023 -5.365 1.00 10.00 H new ATOM 0 HB2 ASN A 37 -5.700 -3.127 -7.221 1.00 10.00 H new ATOM 0 HB3 ASN A 37 -7.060 -4.131 -7.682 1.00 10.00 H new ATOM 0 HD21 ASN A 37 -8.981 -3.777 -5.925 1.00 10.00 H new ATOM 0 HD22 ASN A 37 -9.328 -2.066 -5.656 1.00 10.00 H new ATOM 559 N PHE A 38 -5.860 -6.918 -6.279 1.00 10.00 N ATOM 560 CA PHE A 38 -5.126 -8.112 -6.687 1.00 10.00 C ATOM 561 C PHE A 38 -5.536 -8.562 -8.092 1.00 10.00 C ATOM 562 O PHE A 38 -5.709 -9.748 -8.357 1.00 10.00 O ATOM 563 CB PHE A 38 -5.335 -9.205 -5.632 1.00 10.00 C ATOM 564 CG PHE A 38 -6.775 -9.453 -5.219 1.00 10.00 C ATOM 565 CD1 PHE A 38 -7.354 -8.696 -4.181 1.00 10.00 C ATOM 566 CD2 PHE A 38 -7.534 -10.448 -5.864 1.00 10.00 C ATOM 567 CE1 PHE A 38 -8.694 -8.912 -3.815 1.00 10.00 C ATOM 568 CE2 PHE A 38 -8.872 -10.668 -5.491 1.00 10.00 C ATOM 569 CZ PHE A 38 -9.453 -9.896 -4.469 1.00 10.00 C ATOM 0 H PHE A 38 -6.815 -7.122 -5.986 1.00 10.00 H new ATOM 0 HA PHE A 38 -4.060 -7.890 -6.746 1.00 10.00 H new ATOM 0 HB2 PHE A 38 -4.920 -10.138 -6.014 1.00 10.00 H new ATOM 0 HB3 PHE A 38 -4.761 -8.941 -4.743 1.00 10.00 H new ATOM 0 HD1 PHE A 38 -6.768 -7.949 -3.666 1.00 10.00 H new ATOM 0 HD2 PHE A 38 -7.088 -11.043 -6.647 1.00 10.00 H new ATOM 0 HE1 PHE A 38 -9.140 -8.320 -3.030 1.00 10.00 H new ATOM 0 HE2 PHE A 38 -9.453 -11.430 -5.989 1.00 10.00 H new ATOM 0 HZ PHE A 38 -10.483 -10.060 -4.187 1.00 10.00 H new ATOM 579 N ALA A 39 -5.674 -7.600 -9.003 1.00 10.00 N ATOM 580 CA ALA A 39 -5.992 -7.840 -10.407 1.00 10.00 C ATOM 581 C ALA A 39 -5.660 -6.588 -11.214 1.00 10.00 C ATOM 582 O ALA A 39 -5.088 -6.664 -12.295 1.00 10.00 O ATOM 583 CB ALA A 39 -7.473 -8.207 -10.561 1.00 10.00 C ATOM 0 H ALA A 39 -5.565 -6.611 -8.779 1.00 10.00 H new ATOM 0 HA ALA A 39 -5.398 -8.675 -10.780 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -7.697 -8.383 -11.613 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -7.686 -9.110 -9.989 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -8.091 -7.389 -10.191 1.00 10.00 H new ATOM 589 N LEU A 40 -6.035 -5.428 -10.669 1.00 10.00 N ATOM 590 CA LEU A 40 -5.851 -4.135 -11.310 1.00 10.00 C ATOM 591 C LEU A 40 -4.390 -3.674 -11.221 1.00 10.00 C ATOM 592 O LEU A 40 -3.969 -2.828 -12.003 1.00 10.00 O ATOM 593 CB LEU A 40 -6.789 -3.105 -10.659 1.00 10.00 C ATOM 594 CG LEU A 40 -8.221 -3.606 -10.391 1.00 10.00 C ATOM 595 CD1 LEU A 40 -9.074 -2.423 -9.930 1.00 10.00 C ATOM 596 CD2 LEU A 40 -8.857 -4.291 -11.605 1.00 10.00 C ATOM 0 H LEU A 40 -6.482 -5.366 -9.754 1.00 10.00 H new ATOM 0 HA LEU A 40 -6.098 -4.228 -12.367 1.00 10.00 H new ATOM 0 HB2 LEU A 40 -6.350 -2.782 -9.715 1.00 10.00 H new ATOM 0 HB3 LEU A 40 -6.842 -2.227 -11.302 1.00 10.00 H new ATOM 0 HG LEU A 40 -8.170 -4.368 -9.613 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -10.092 -2.762 -9.736 1.00 10.00 H new ATOM 0 HD12 LEU A 40 -8.651 -2.003 -9.017 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -9.088 -1.659 -10.708 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -9.864 -4.621 -11.351 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -8.904 -3.588 -12.436 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -8.255 -5.153 -11.893 1.00 10.00 H new ATOM 608 N GLU A 41 -3.646 -4.207 -10.243 1.00 10.00 N ATOM 609 CA GLU A 41 -2.270 -3.843 -9.931 1.00 10.00 C ATOM 610 C GLU A 41 -2.212 -2.373 -9.519 1.00 10.00 C ATOM 611 O GLU A 41 -1.426 -1.580 -10.035 1.00 10.00 O ATOM 612 CB GLU A 41 -1.284 -4.256 -11.040 1.00 10.00 C ATOM 613 CG GLU A 41 -1.245 -5.791 -11.162 1.00 10.00 C ATOM 614 CD GLU A 41 -0.029 -6.320 -11.916 1.00 10.00 C ATOM 615 OE1 GLU A 41 1.103 -5.992 -11.496 1.00 10.00 O ATOM 616 OE2 GLU A 41 -0.247 -7.128 -12.846 1.00 10.00 O ATOM 0 H GLU A 41 -4.008 -4.934 -9.625 1.00 10.00 H new ATOM 0 HA GLU A 41 -1.926 -4.418 -9.071 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -1.586 -3.815 -11.990 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -0.288 -3.875 -10.814 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -1.258 -6.226 -10.162 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -2.149 -6.129 -11.668 1.00 10.00 H new ATOM 623 N THR A 42 -3.045 -2.047 -8.529 1.00 10.00 N ATOM 624 CA THR A 42 -3.100 -0.767 -7.849 1.00 10.00 C ATOM 625 C THR A 42 -3.275 -1.048 -6.355 1.00 10.00 C ATOM 626 O THR A 42 -4.085 -1.891 -5.966 1.00 10.00 O ATOM 627 CB THR A 42 -4.253 0.075 -8.409 1.00 10.00 C ATOM 628 OG1 THR A 42 -5.437 -0.690 -8.507 1.00 10.00 O ATOM 629 CG2 THR A 42 -3.918 0.626 -9.798 1.00 10.00 C ATOM 0 H THR A 42 -3.732 -2.708 -8.167 1.00 10.00 H new ATOM 0 HA THR A 42 -2.185 -0.196 -8.006 1.00 10.00 H new ATOM 0 HB THR A 42 -4.403 0.903 -7.716 1.00 10.00 H new ATOM 0 HG1 THR A 42 -5.864 -0.746 -7.627 1.00 10.00 H new ATOM 0 HG21 THR A 42 -4.756 1.218 -10.166 1.00 10.00 H new ATOM 0 HG22 THR A 42 -3.029 1.254 -9.736 1.00 10.00 H new ATOM 0 HG23 THR A 42 -3.730 -0.202 -10.482 1.00 10.00 H new ATOM 637 N VAL A 43 -2.490 -0.381 -5.511 1.00 10.00 N ATOM 638 CA VAL A 43 -2.650 -0.442 -4.063 1.00 10.00 C ATOM 639 C VAL A 43 -3.395 0.814 -3.640 1.00 10.00 C ATOM 640 O VAL A 43 -2.955 1.924 -3.937 1.00 10.00 O ATOM 641 CB VAL A 43 -1.279 -0.560 -3.387 1.00 10.00 C ATOM 642 CG1 VAL A 43 -1.264 -0.127 -1.918 1.00 10.00 C ATOM 643 CG2 VAL A 43 -0.722 -1.977 -3.517 1.00 10.00 C ATOM 0 H VAL A 43 -1.723 0.219 -5.815 1.00 10.00 H new ATOM 0 HA VAL A 43 -3.220 -1.320 -3.759 1.00 10.00 H new ATOM 0 HB VAL A 43 -0.637 0.140 -3.922 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -0.258 -0.241 -1.515 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -1.568 0.917 -1.843 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -1.955 -0.748 -1.349 1.00 10.00 H new ATOM 0 HG21 VAL A 43 0.251 -2.032 -3.029 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -1.406 -2.682 -3.044 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -0.613 -2.230 -4.572 1.00 10.00 H new ATOM 653 N THR A 44 -4.502 0.608 -2.930 1.00 10.00 N ATOM 654 CA THR A 44 -5.409 1.622 -2.442 1.00 10.00 C ATOM 655 C THR A 44 -5.249 1.692 -0.922 1.00 10.00 C ATOM 656 O THR A 44 -5.548 0.704 -0.251 1.00 10.00 O ATOM 657 CB THR A 44 -6.835 1.179 -2.812 1.00 10.00 C ATOM 658 OG1 THR A 44 -6.966 0.904 -4.194 1.00 10.00 O ATOM 659 CG2 THR A 44 -7.856 2.226 -2.375 1.00 10.00 C ATOM 0 H THR A 44 -4.800 -0.332 -2.669 1.00 10.00 H new ATOM 0 HA THR A 44 -5.207 2.602 -2.873 1.00 10.00 H new ATOM 0 HB THR A 44 -7.032 0.250 -2.276 1.00 10.00 H new ATOM 0 HG1 THR A 44 -6.248 1.354 -4.687 1.00 10.00 H new ATOM 0 HG21 THR A 44 -8.858 1.893 -2.646 1.00 10.00 H new ATOM 0 HG22 THR A 44 -7.799 2.362 -1.295 1.00 10.00 H new ATOM 0 HG23 THR A 44 -7.642 3.173 -2.871 1.00 10.00 H new ATOM 667 N VAL A 45 -4.769 2.815 -0.371 1.00 10.00 N ATOM 668 CA VAL A 45 -4.592 2.992 1.065 1.00 10.00 C ATOM 669 C VAL A 45 -5.479 4.119 1.587 1.00 10.00 C ATOM 670 O VAL A 45 -5.678 5.123 0.904 1.00 10.00 O ATOM 671 CB VAL A 45 -3.116 3.265 1.382 1.00 10.00 C ATOM 672 CG1 VAL A 45 -2.860 3.150 2.888 1.00 10.00 C ATOM 673 CG2 VAL A 45 -2.226 2.265 0.637 1.00 10.00 C ATOM 0 H VAL A 45 -4.492 3.629 -0.919 1.00 10.00 H new ATOM 0 HA VAL A 45 -4.892 2.073 1.569 1.00 10.00 H new ATOM 0 HB VAL A 45 -2.877 4.278 1.058 1.00 10.00 H new ATOM 0 HG11 VAL A 45 -1.808 3.347 3.094 1.00 10.00 H new ATOM 0 HG12 VAL A 45 -3.476 3.876 3.418 1.00 10.00 H new ATOM 0 HG13 VAL A 45 -3.114 2.145 3.225 1.00 10.00 H new ATOM 0 HG21 VAL A 45 -1.180 2.466 0.868 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -2.478 1.251 0.949 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -2.386 2.365 -0.437 1.00 10.00 H new ATOM 683 N GLU A 46 -5.962 3.955 2.822 1.00 10.00 N ATOM 684 CA GLU A 46 -6.501 5.012 3.659 1.00 10.00 C ATOM 685 C GLU A 46 -5.582 5.158 4.877 1.00 10.00 C ATOM 686 O GLU A 46 -5.562 4.275 5.744 1.00 10.00 O ATOM 687 CB GLU A 46 -7.943 4.683 4.066 1.00 10.00 C ATOM 688 CG GLU A 46 -8.584 5.871 4.792 1.00 10.00 C ATOM 689 CD GLU A 46 -10.096 5.806 4.778 1.00 10.00 C ATOM 690 OE1 GLU A 46 -10.623 4.684 4.651 1.00 10.00 O ATOM 691 OE2 GLU A 46 -10.696 6.902 4.857 1.00 10.00 O ATOM 0 H GLU A 46 -5.986 3.043 3.277 1.00 10.00 H new ATOM 0 HA GLU A 46 -6.535 5.958 3.119 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -8.528 4.432 3.181 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -7.953 3.806 4.713 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -8.233 5.895 5.824 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -8.258 6.799 4.323 1.00 10.00 H new ATOM 698 N TYR A 47 -4.809 6.249 4.930 1.00 10.00 N ATOM 699 CA TYR A 47 -3.862 6.522 6.007 1.00 10.00 C ATOM 700 C TYR A 47 -3.903 7.998 6.384 1.00 10.00 C ATOM 701 O TYR A 47 -4.393 8.821 5.618 1.00 10.00 O ATOM 702 CB TYR A 47 -2.438 6.097 5.617 1.00 10.00 C ATOM 703 CG TYR A 47 -1.728 7.001 4.618 1.00 10.00 C ATOM 704 CD1 TYR A 47 -1.018 8.125 5.075 1.00 10.00 C ATOM 705 CD2 TYR A 47 -1.756 6.727 3.239 1.00 10.00 C ATOM 706 CE1 TYR A 47 -0.423 9.020 4.177 1.00 10.00 C ATOM 707 CE2 TYR A 47 -1.105 7.593 2.342 1.00 10.00 C ATOM 708 CZ TYR A 47 -0.508 8.776 2.802 1.00 10.00 C ATOM 709 OH TYR A 47 -0.003 9.685 1.923 1.00 10.00 O ATOM 0 H TYR A 47 -4.827 6.975 4.214 1.00 10.00 H new ATOM 0 HA TYR A 47 -4.155 5.933 6.876 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -1.834 6.043 6.523 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -2.480 5.090 5.201 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -0.930 8.301 6.137 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -2.275 5.855 2.870 1.00 10.00 H new ATOM 0 HE1 TYR A 47 0.098 9.892 4.543 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -1.065 7.345 1.292 1.00 10.00 H new ATOM 0 HH TYR A 47 -0.141 9.366 1.007 1.00 10.00 H new ATOM 719 N ASN A 48 -3.389 8.337 7.565 1.00 10.00 N ATOM 720 CA ASN A 48 -3.297 9.715 8.035 1.00 10.00 C ATOM 721 C ASN A 48 -1.911 10.281 7.736 1.00 10.00 C ATOM 722 O ASN A 48 -0.906 9.667 8.091 1.00 10.00 O ATOM 723 CB ASN A 48 -3.702 9.874 9.512 1.00 10.00 C ATOM 724 CG ASN A 48 -2.804 9.251 10.588 1.00 10.00 C ATOM 725 OD1 ASN A 48 -1.581 9.198 10.504 1.00 10.00 O ATOM 726 ND2 ASN A 48 -3.409 8.853 11.700 1.00 10.00 N ATOM 0 H ASN A 48 -3.021 7.655 8.228 1.00 10.00 H new ATOM 0 HA ASN A 48 -4.027 10.305 7.481 1.00 10.00 H new ATOM 0 HB2 ASN A 48 -3.779 10.941 9.722 1.00 10.00 H new ATOM 0 HB3 ASN A 48 -4.701 9.453 9.629 1.00 10.00 H new ATOM 0 HD21 ASN A 48 -2.857 8.504 12.484 1.00 10.00 H new ATOM 0 HD22 ASN A 48 -4.426 8.897 11.771 1.00 10.00 H new ATOM 733 N PRO A 49 -1.803 11.451 7.098 1.00 10.00 N ATOM 734 CA PRO A 49 -0.517 12.105 6.955 1.00 10.00 C ATOM 735 C PRO A 49 -0.138 12.733 8.304 1.00 10.00 C ATOM 736 O PRO A 49 -0.013 13.954 8.393 1.00 10.00 O ATOM 737 CB PRO A 49 -0.737 13.128 5.832 1.00 10.00 C ATOM 738 CG PRO A 49 -2.207 13.519 5.991 1.00 10.00 C ATOM 739 CD PRO A 49 -2.863 12.222 6.466 1.00 10.00 C ATOM 0 HA PRO A 49 0.311 11.445 6.696 1.00 10.00 H new ATOM 0 HB2 PRO A 49 -0.078 13.990 5.939 1.00 10.00 H new ATOM 0 HB3 PRO A 49 -0.540 12.696 4.851 1.00 10.00 H new ATOM 0 HG2 PRO A 49 -2.334 14.323 6.716 1.00 10.00 H new ATOM 0 HG3 PRO A 49 -2.635 13.866 5.051 1.00 10.00 H new ATOM 0 HD2 PRO A 49 -3.670 12.427 7.169 1.00 10.00 H new ATOM 0 HD3 PRO A 49 -3.299 11.675 5.630 1.00 10.00 H new ATOM 747 N LYS A 50 0.022 11.925 9.368 1.00 10.00 N ATOM 748 CA LYS A 50 0.456 12.438 10.659 1.00 10.00 C ATOM 749 C LYS A 50 1.387 11.438 11.337 1.00 10.00 C ATOM 750 O LYS A 50 2.456 11.827 11.797 1.00 10.00 O ATOM 751 CB LYS A 50 -0.746 12.933 11.491 1.00 10.00 C ATOM 752 CG LYS A 50 -1.414 11.973 12.482 1.00 10.00 C ATOM 753 CD LYS A 50 -0.742 11.912 13.859 1.00 10.00 C ATOM 754 CE LYS A 50 -1.579 10.990 14.755 1.00 10.00 C ATOM 755 NZ LYS A 50 -1.013 10.869 16.113 1.00 10.00 N ATOM 0 H LYS A 50 -0.145 10.919 9.349 1.00 10.00 H new ATOM 0 HA LYS A 50 1.064 13.334 10.533 1.00 10.00 H new ATOM 0 HB2 LYS A 50 -0.419 13.809 12.052 1.00 10.00 H new ATOM 0 HB3 LYS A 50 -1.512 13.270 10.793 1.00 10.00 H new ATOM 0 HG2 LYS A 50 -2.454 12.271 12.612 1.00 10.00 H new ATOM 0 HG3 LYS A 50 -1.421 10.972 12.050 1.00 10.00 H new ATOM 0 HD2 LYS A 50 0.277 11.534 13.769 1.00 10.00 H new ATOM 0 HD3 LYS A 50 -0.675 12.909 14.295 1.00 10.00 H new ATOM 0 HE2 LYS A 50 -2.597 11.375 14.820 1.00 10.00 H new ATOM 0 HE3 LYS A 50 -1.641 10.002 14.300 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 -1.780 10.702 16.795 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 -0.345 10.072 16.141 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 -0.514 11.747 16.361 1.00 10.00 H new ATOM 769 N GLU A 51 1.002 10.155 11.360 1.00 10.00 N ATOM 770 CA GLU A 51 1.873 9.071 11.797 1.00 10.00 C ATOM 771 C GLU A 51 2.376 8.283 10.581 1.00 10.00 C ATOM 772 O GLU A 51 3.533 7.874 10.542 1.00 10.00 O ATOM 773 CB GLU A 51 1.124 8.169 12.796 1.00 10.00 C ATOM 774 CG GLU A 51 1.957 7.863 14.047 1.00 10.00 C ATOM 775 CD GLU A 51 2.106 9.078 14.947 1.00 10.00 C ATOM 776 OE1 GLU A 51 1.071 9.465 15.531 1.00 10.00 O ATOM 777 OE2 GLU A 51 3.226 9.615 15.034 1.00 10.00 O ATOM 0 H GLU A 51 0.073 9.845 11.074 1.00 10.00 H new ATOM 0 HA GLU A 51 2.744 9.481 12.309 1.00 10.00 H new ATOM 0 HB2 GLU A 51 0.194 8.654 13.092 1.00 10.00 H new ATOM 0 HB3 GLU A 51 0.854 7.234 12.305 1.00 10.00 H new ATOM 0 HG2 GLU A 51 1.487 7.054 14.606 1.00 10.00 H new ATOM 0 HG3 GLU A 51 2.944 7.511 13.747 1.00 10.00 H new ATOM 784 N ALA A 52 1.506 8.046 9.592 1.00 10.00 N ATOM 785 CA ALA A 52 1.833 7.271 8.410 1.00 10.00 C ATOM 786 C ALA A 52 2.399 8.180 7.317 1.00 10.00 C ATOM 787 O ALA A 52 2.158 9.386 7.307 1.00 10.00 O ATOM 788 CB ALA A 52 0.563 6.571 7.928 1.00 10.00 C ATOM 0 H ALA A 52 0.547 8.395 9.599 1.00 10.00 H new ATOM 0 HA ALA A 52 2.594 6.528 8.648 1.00 10.00 H new ATOM 0 HB1 ALA A 52 0.787 5.982 7.039 1.00 10.00 H new ATOM 0 HB2 ALA A 52 0.189 5.914 8.713 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -0.195 7.317 7.688 1.00 10.00 H new ATOM 794 N SER A 53 3.141 7.588 6.377 1.00 10.00 N ATOM 795 CA SER A 53 3.627 8.281 5.191 1.00 10.00 C ATOM 796 C SER A 53 3.747 7.339 3.993 1.00 10.00 C ATOM 797 O SER A 53 3.881 6.122 4.138 1.00 10.00 O ATOM 798 CB SER A 53 4.972 8.957 5.476 1.00 10.00 C ATOM 799 OG SER A 53 5.963 7.989 5.769 1.00 10.00 O ATOM 0 H SER A 53 3.421 6.608 6.422 1.00 10.00 H new ATOM 0 HA SER A 53 2.894 9.047 4.936 1.00 10.00 H new ATOM 0 HB2 SER A 53 5.278 9.549 4.613 1.00 10.00 H new ATOM 0 HB3 SER A 53 4.869 9.645 6.315 1.00 10.00 H new ATOM 0 HG SER A 53 6.816 8.438 5.947 1.00 10.00 H new ATOM 805 N VAL A 54 3.748 7.939 2.801 1.00 10.00 N ATOM 806 CA VAL A 54 3.996 7.256 1.540 1.00 10.00 C ATOM 807 C VAL A 54 5.312 6.473 1.591 1.00 10.00 C ATOM 808 O VAL A 54 5.367 5.318 1.177 1.00 10.00 O ATOM 809 CB VAL A 54 3.946 8.259 0.370 1.00 10.00 C ATOM 810 CG1 VAL A 54 2.578 8.949 0.334 1.00 10.00 C ATOM 811 CG2 VAL A 54 5.036 9.340 0.412 1.00 10.00 C ATOM 0 H VAL A 54 3.572 8.937 2.688 1.00 10.00 H new ATOM 0 HA VAL A 54 3.207 6.524 1.370 1.00 10.00 H new ATOM 0 HB VAL A 54 4.123 7.666 -0.528 1.00 10.00 H new ATOM 0 HG11 VAL A 54 2.549 9.656 -0.495 1.00 10.00 H new ATOM 0 HG12 VAL A 54 1.797 8.201 0.200 1.00 10.00 H new ATOM 0 HG13 VAL A 54 2.414 9.481 1.271 1.00 10.00 H new ATOM 0 HG21 VAL A 54 4.926 10.001 -0.447 1.00 10.00 H new ATOM 0 HG22 VAL A 54 4.939 9.919 1.330 1.00 10.00 H new ATOM 0 HG23 VAL A 54 6.018 8.868 0.383 1.00 10.00 H new ATOM 821 N SER A 55 6.372 7.103 2.103 1.00 10.00 N ATOM 822 CA SER A 55 7.701 6.526 2.201 1.00 10.00 C ATOM 823 C SER A 55 7.696 5.229 3.007 1.00 10.00 C ATOM 824 O SER A 55 8.354 4.260 2.615 1.00 10.00 O ATOM 825 CB SER A 55 8.627 7.565 2.835 1.00 10.00 C ATOM 826 OG SER A 55 8.501 8.776 2.113 1.00 10.00 O ATOM 0 H SER A 55 6.321 8.054 2.469 1.00 10.00 H new ATOM 0 HA SER A 55 8.058 6.267 1.204 1.00 10.00 H new ATOM 0 HB2 SER A 55 8.364 7.719 3.882 1.00 10.00 H new ATOM 0 HB3 SER A 55 9.659 7.216 2.813 1.00 10.00 H new ATOM 0 HG SER A 55 9.087 9.455 2.508 1.00 10.00 H new ATOM 832 N ASP A 56 6.972 5.232 4.130 1.00 10.00 N ATOM 833 CA ASP A 56 6.874 4.106 5.044 1.00 10.00 C ATOM 834 C ASP A 56 6.197 2.935 4.331 1.00 10.00 C ATOM 835 O ASP A 56 6.779 1.867 4.152 1.00 10.00 O ATOM 836 CB ASP A 56 6.101 4.570 6.288 1.00 10.00 C ATOM 837 CG ASP A 56 5.956 3.503 7.364 1.00 10.00 C ATOM 838 OD1 ASP A 56 6.285 2.332 7.083 1.00 10.00 O ATOM 839 OD2 ASP A 56 5.483 3.888 8.453 1.00 10.00 O ATOM 0 H ASP A 56 6.427 6.040 4.430 1.00 10.00 H new ATOM 0 HA ASP A 56 7.857 3.758 5.363 1.00 10.00 H new ATOM 0 HB2 ASP A 56 6.608 5.435 6.716 1.00 10.00 H new ATOM 0 HB3 ASP A 56 5.108 4.901 5.983 1.00 10.00 H new ATOM 844 N LEU A 57 4.982 3.150 3.828 1.00 10.00 N ATOM 845 CA LEU A 57 4.242 2.059 3.207 1.00 10.00 C ATOM 846 C LEU A 57 4.944 1.572 1.932 1.00 10.00 C ATOM 847 O LEU A 57 5.092 0.368 1.724 1.00 10.00 O ATOM 848 CB LEU A 57 2.761 2.418 3.063 1.00 10.00 C ATOM 849 CG LEU A 57 2.481 3.586 2.111 1.00 10.00 C ATOM 850 CD1 LEU A 57 2.313 3.066 0.681 1.00 10.00 C ATOM 851 CD2 LEU A 57 1.256 4.407 2.539 1.00 10.00 C ATOM 0 H LEU A 57 4.500 4.049 3.838 1.00 10.00 H new ATOM 0 HA LEU A 57 4.245 1.187 3.860 1.00 10.00 H new ATOM 0 HB2 LEU A 57 2.220 1.540 2.710 1.00 10.00 H new ATOM 0 HB3 LEU A 57 2.362 2.664 4.047 1.00 10.00 H new ATOM 0 HG LEU A 57 3.339 4.257 2.152 1.00 10.00 H new ATOM 0 HD11 LEU A 57 2.114 3.902 0.011 1.00 10.00 H new ATOM 0 HD12 LEU A 57 3.226 2.559 0.368 1.00 10.00 H new ATOM 0 HD13 LEU A 57 1.479 2.365 0.644 1.00 10.00 H new ATOM 0 HD21 LEU A 57 1.100 5.222 1.833 1.00 10.00 H new ATOM 0 HD22 LEU A 57 0.375 3.765 2.553 1.00 10.00 H new ATOM 0 HD23 LEU A 57 1.423 4.817 3.535 1.00 10.00 H new ATOM 863 N LYS A 58 5.464 2.491 1.109 1.00 10.00 N ATOM 864 CA LYS A 58 6.481 2.154 0.125 1.00 10.00 C ATOM 865 C LYS A 58 7.557 1.224 0.688 1.00 10.00 C ATOM 866 O LYS A 58 7.846 0.221 0.051 1.00 10.00 O ATOM 867 CB LYS A 58 7.084 3.434 -0.462 1.00 10.00 C ATOM 868 CG LYS A 58 8.117 3.152 -1.559 1.00 10.00 C ATOM 869 CD LYS A 58 9.517 3.714 -1.255 1.00 10.00 C ATOM 870 CE LYS A 58 10.380 2.862 -0.305 1.00 10.00 C ATOM 871 NZ LYS A 58 10.382 3.342 1.095 1.00 10.00 N ATOM 0 H LYS A 58 5.192 3.474 1.111 1.00 10.00 H new ATOM 0 HA LYS A 58 5.998 1.597 -0.678 1.00 10.00 H new ATOM 0 HB2 LYS A 58 6.285 4.053 -0.871 1.00 10.00 H new ATOM 0 HB3 LYS A 58 7.555 4.008 0.336 1.00 10.00 H new ATOM 0 HG2 LYS A 58 8.192 2.075 -1.705 1.00 10.00 H new ATOM 0 HG3 LYS A 58 7.761 3.577 -2.498 1.00 10.00 H new ATOM 0 HD2 LYS A 58 10.054 3.834 -2.196 1.00 10.00 H new ATOM 0 HD3 LYS A 58 9.405 4.708 -0.823 1.00 10.00 H new ATOM 0 HE2 LYS A 58 10.019 1.834 -0.326 1.00 10.00 H new ATOM 0 HE3 LYS A 58 11.405 2.848 -0.675 1.00 10.00 H new ATOM 0 HZ1 LYS A 58 10.824 2.626 1.707 1.00 10.00 H new ATOM 0 HZ2 LYS A 58 10.920 4.230 1.157 1.00 10.00 H new ATOM 0 HZ3 LYS A 58 9.404 3.508 1.407 1.00 10.00 H new ATOM 885 N GLU A 59 8.185 1.546 1.825 1.00 10.00 N ATOM 886 CA GLU A 59 9.226 0.714 2.421 1.00 10.00 C ATOM 887 C GLU A 59 8.701 -0.694 2.651 1.00 10.00 C ATOM 888 O GLU A 59 9.347 -1.669 2.283 1.00 10.00 O ATOM 889 CB GLU A 59 9.705 1.339 3.738 1.00 10.00 C ATOM 890 CG GLU A 59 11.136 0.910 4.094 1.00 10.00 C ATOM 891 CD GLU A 59 11.202 -0.058 5.281 1.00 10.00 C ATOM 892 OE1 GLU A 59 10.758 -1.216 5.119 1.00 10.00 O ATOM 893 OE2 GLU A 59 11.721 0.368 6.334 1.00 10.00 O ATOM 0 H GLU A 59 7.982 2.393 2.355 1.00 10.00 H new ATOM 0 HA GLU A 59 10.074 0.656 1.738 1.00 10.00 H new ATOM 0 HB2 GLU A 59 9.661 2.425 3.660 1.00 10.00 H new ATOM 0 HB3 GLU A 59 9.029 1.050 4.543 1.00 10.00 H new ATOM 0 HG2 GLU A 59 11.593 0.439 3.224 1.00 10.00 H new ATOM 0 HG3 GLU A 59 11.727 1.797 4.324 1.00 10.00 H new ATOM 900 N ALA A 60 7.495 -0.783 3.209 1.00 10.00 N ATOM 901 CA ALA A 60 6.852 -2.064 3.448 1.00 10.00 C ATOM 902 C ALA A 60 6.823 -2.894 2.159 1.00 10.00 C ATOM 903 O ALA A 60 7.306 -4.029 2.139 1.00 10.00 O ATOM 904 CB ALA A 60 5.460 -1.855 4.048 1.00 10.00 C ATOM 0 H ALA A 60 6.945 0.024 3.504 1.00 10.00 H new ATOM 0 HA ALA A 60 7.430 -2.631 4.177 1.00 10.00 H new ATOM 0 HB1 ALA A 60 4.990 -2.823 4.222 1.00 10.00 H new ATOM 0 HB2 ALA A 60 5.548 -1.319 4.993 1.00 10.00 H new ATOM 0 HB3 ALA A 60 4.849 -1.274 3.357 1.00 10.00 H new ATOM 910 N VAL A 61 6.281 -2.325 1.077 1.00 10.00 N ATOM 911 CA VAL A 61 6.305 -2.982 -0.233 1.00 10.00 C ATOM 912 C VAL A 61 7.739 -3.305 -0.709 1.00 10.00 C ATOM 913 O VAL A 61 8.008 -4.420 -1.152 1.00 10.00 O ATOM 914 CB VAL A 61 5.527 -2.169 -1.280 1.00 10.00 C ATOM 915 CG1 VAL A 61 5.477 -2.950 -2.603 1.00 10.00 C ATOM 916 CG2 VAL A 61 4.084 -1.923 -0.829 1.00 10.00 C ATOM 0 H VAL A 61 5.822 -1.414 1.083 1.00 10.00 H new ATOM 0 HA VAL A 61 5.799 -3.940 -0.114 1.00 10.00 H new ATOM 0 HB VAL A 61 6.037 -1.214 -1.405 1.00 10.00 H new ATOM 0 HG11 VAL A 61 4.925 -2.373 -3.345 1.00 10.00 H new ATOM 0 HG12 VAL A 61 6.492 -3.125 -2.961 1.00 10.00 H new ATOM 0 HG13 VAL A 61 4.979 -3.906 -2.443 1.00 10.00 H new ATOM 0 HG21 VAL A 61 3.558 -1.346 -1.590 1.00 10.00 H new ATOM 0 HG22 VAL A 61 3.580 -2.879 -0.686 1.00 10.00 H new ATOM 0 HG23 VAL A 61 4.086 -1.369 0.110 1.00 10.00 H new ATOM 926 N ASP A 62 8.657 -2.340 -0.614 1.00 10.00 N ATOM 927 CA ASP A 62 10.044 -2.461 -1.064 1.00 10.00 C ATOM 928 C ASP A 62 10.675 -3.704 -0.428 1.00 10.00 C ATOM 929 O ASP A 62 11.115 -4.635 -1.100 1.00 10.00 O ATOM 930 CB ASP A 62 10.797 -1.167 -0.697 1.00 10.00 C ATOM 931 CG ASP A 62 11.926 -0.798 -1.648 1.00 10.00 C ATOM 932 OD1 ASP A 62 12.517 -1.713 -2.260 1.00 10.00 O ATOM 933 OD2 ASP A 62 12.160 0.427 -1.761 1.00 10.00 O ATOM 0 H ASP A 62 8.449 -1.427 -0.210 1.00 10.00 H new ATOM 0 HA ASP A 62 10.098 -2.586 -2.145 1.00 10.00 H new ATOM 0 HB2 ASP A 62 10.083 -0.344 -0.665 1.00 10.00 H new ATOM 0 HB3 ASP A 62 11.206 -1.273 0.308 1.00 10.00 H new ATOM 938 N LYS A 63 10.615 -3.737 0.902 1.00 10.00 N ATOM 939 CA LYS A 63 11.089 -4.797 1.771 1.00 10.00 C ATOM 940 C LYS A 63 10.391 -6.128 1.474 1.00 10.00 C ATOM 941 O LYS A 63 11.010 -7.182 1.604 1.00 10.00 O ATOM 942 CB LYS A 63 10.885 -4.316 3.211 1.00 10.00 C ATOM 943 CG LYS A 63 11.469 -5.228 4.293 1.00 10.00 C ATOM 944 CD LYS A 63 11.616 -4.364 5.554 1.00 10.00 C ATOM 945 CE LYS A 63 11.933 -5.181 6.810 1.00 10.00 C ATOM 946 NZ LYS A 63 12.231 -4.290 7.950 1.00 10.00 N ATOM 0 H LYS A 63 10.204 -2.968 1.431 1.00 10.00 H new ATOM 0 HA LYS A 63 12.146 -5.000 1.601 1.00 10.00 H new ATOM 0 HB2 LYS A 63 11.331 -3.327 3.313 1.00 10.00 H new ATOM 0 HB3 LYS A 63 9.816 -4.204 3.391 1.00 10.00 H new ATOM 0 HG2 LYS A 63 10.814 -6.079 4.479 1.00 10.00 H new ATOM 0 HG3 LYS A 63 12.433 -5.630 3.983 1.00 10.00 H new ATOM 0 HD2 LYS A 63 12.408 -3.632 5.395 1.00 10.00 H new ATOM 0 HD3 LYS A 63 10.693 -3.806 5.714 1.00 10.00 H new ATOM 0 HE2 LYS A 63 11.087 -5.823 7.055 1.00 10.00 H new ATOM 0 HE3 LYS A 63 12.785 -5.834 6.620 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 12.443 -4.863 8.792 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 13.052 -3.695 7.720 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 11.408 -3.684 8.142 1.00 10.00 H new ATOM 960 N LEU A 64 9.115 -6.100 1.076 1.00 10.00 N ATOM 961 CA LEU A 64 8.423 -7.258 0.541 1.00 10.00 C ATOM 962 C LEU A 64 9.195 -7.901 -0.619 1.00 10.00 C ATOM 963 O LEU A 64 9.198 -9.126 -0.737 1.00 10.00 O ATOM 964 CB LEU A 64 7.010 -6.854 0.075 1.00 10.00 C ATOM 965 CG LEU A 64 5.847 -7.630 0.688 1.00 10.00 C ATOM 966 CD1 LEU A 64 6.163 -9.114 0.809 1.00 10.00 C ATOM 967 CD2 LEU A 64 5.463 -7.033 2.044 1.00 10.00 C ATOM 0 H LEU A 64 8.536 -5.262 1.120 1.00 10.00 H new ATOM 0 HA LEU A 64 8.350 -7.998 1.338 1.00 10.00 H new ATOM 0 HB2 LEU A 64 6.868 -5.796 0.293 1.00 10.00 H new ATOM 0 HB3 LEU A 64 6.962 -6.965 -1.008 1.00 10.00 H new ATOM 0 HG LEU A 64 4.993 -7.539 0.017 1.00 10.00 H new ATOM 0 HD11 LEU A 64 5.311 -9.633 1.249 1.00 10.00 H new ATOM 0 HD12 LEU A 64 6.366 -9.525 -0.180 1.00 10.00 H new ATOM 0 HD13 LEU A 64 7.038 -9.249 1.444 1.00 10.00 H new ATOM 0 HD21 LEU A 64 4.632 -7.597 2.468 1.00 10.00 H new ATOM 0 HD22 LEU A 64 6.318 -7.083 2.719 1.00 10.00 H new ATOM 0 HD23 LEU A 64 5.165 -5.993 1.912 1.00 10.00 H new ATOM 979 N GLY A 65 9.824 -7.088 -1.475 1.00 10.00 N ATOM 980 CA GLY A 65 10.658 -7.548 -2.580 1.00 10.00 C ATOM 981 C GLY A 65 10.147 -7.102 -3.952 1.00 10.00 C ATOM 982 O GLY A 65 10.656 -7.567 -4.969 1.00 10.00 O ATOM 0 H GLY A 65 9.763 -6.072 -1.414 1.00 10.00 H new ATOM 0 HA2 GLY A 65 11.673 -7.175 -2.439 1.00 10.00 H new ATOM 0 HA3 GLY A 65 10.712 -8.636 -2.557 1.00 10.00 H new ATOM 986 N TYR A 66 9.155 -6.208 -4.003 1.00 10.00 N ATOM 987 CA TYR A 66 8.669 -5.575 -5.227 1.00 10.00 C ATOM 988 C TYR A 66 8.490 -4.090 -4.923 1.00 10.00 C ATOM 989 O TYR A 66 8.687 -3.685 -3.784 1.00 10.00 O ATOM 990 CB TYR A 66 7.390 -6.257 -5.744 1.00 10.00 C ATOM 991 CG TYR A 66 6.609 -7.056 -4.718 1.00 10.00 C ATOM 992 CD1 TYR A 66 6.993 -8.378 -4.423 1.00 10.00 C ATOM 993 CD2 TYR A 66 5.510 -6.486 -4.053 1.00 10.00 C ATOM 994 CE1 TYR A 66 6.281 -9.127 -3.472 1.00 10.00 C ATOM 995 CE2 TYR A 66 4.779 -7.253 -3.129 1.00 10.00 C ATOM 996 CZ TYR A 66 5.145 -8.580 -2.857 1.00 10.00 C ATOM 997 OH TYR A 66 4.372 -9.354 -2.040 1.00 10.00 O ATOM 0 H TYR A 66 8.656 -5.898 -3.169 1.00 10.00 H new ATOM 0 HA TYR A 66 9.385 -5.687 -6.042 1.00 10.00 H new ATOM 0 HB2 TYR A 66 6.734 -5.491 -6.157 1.00 10.00 H new ATOM 0 HB3 TYR A 66 7.661 -6.921 -6.565 1.00 10.00 H new ATOM 0 HD1 TYR A 66 7.839 -8.818 -4.930 1.00 10.00 H new ATOM 0 HD2 TYR A 66 5.228 -5.462 -4.251 1.00 10.00 H new ATOM 0 HE1 TYR A 66 6.608 -10.124 -3.214 1.00 10.00 H new ATOM 0 HE2 TYR A 66 3.929 -6.817 -2.625 1.00 10.00 H new ATOM 0 HH TYR A 66 3.435 -9.077 -2.118 1.00 10.00 H new ATOM 1007 N LYS A 67 8.192 -3.259 -5.924 1.00 10.00 N ATOM 1008 CA LYS A 67 8.276 -1.815 -5.792 1.00 10.00 C ATOM 1009 C LYS A 67 6.907 -1.149 -5.913 1.00 10.00 C ATOM 1010 O LYS A 67 5.956 -1.725 -6.442 1.00 10.00 O ATOM 1011 CB LYS A 67 9.305 -1.304 -6.806 1.00 10.00 C ATOM 1012 CG LYS A 67 10.673 -1.208 -6.112 1.00 10.00 C ATOM 1013 CD LYS A 67 11.833 -1.312 -7.105 1.00 10.00 C ATOM 1014 CE LYS A 67 13.156 -1.119 -6.346 1.00 10.00 C ATOM 1015 NZ LYS A 67 14.315 -1.622 -7.109 1.00 10.00 N ATOM 0 H LYS A 67 7.887 -3.574 -6.845 1.00 10.00 H new ATOM 0 HA LYS A 67 8.616 -1.545 -4.792 1.00 10.00 H new ATOM 0 HB2 LYS A 67 9.361 -1.978 -7.660 1.00 10.00 H new ATOM 0 HB3 LYS A 67 9.006 -0.328 -7.189 1.00 10.00 H new ATOM 0 HG2 LYS A 67 10.740 -0.262 -5.575 1.00 10.00 H new ATOM 0 HG3 LYS A 67 10.759 -2.002 -5.371 1.00 10.00 H new ATOM 0 HD2 LYS A 67 11.820 -2.283 -7.599 1.00 10.00 H new ATOM 0 HD3 LYS A 67 11.731 -0.556 -7.884 1.00 10.00 H new ATOM 0 HE2 LYS A 67 13.298 -0.060 -6.130 1.00 10.00 H new ATOM 0 HE3 LYS A 67 13.102 -1.636 -5.388 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 15.185 -1.471 -6.559 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 14.194 -2.638 -7.294 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 14.384 -1.112 -8.012 1.00 10.00 H new ATOM 1029 N LEU A 68 6.833 0.062 -5.357 1.00 10.00 N ATOM 1030 CA LEU A 68 5.626 0.837 -5.151 1.00 10.00 C ATOM 1031 C LEU A 68 5.984 2.297 -5.375 1.00 10.00 C ATOM 1032 O LEU A 68 7.070 2.717 -4.970 1.00 10.00 O ATOM 1033 CB LEU A 68 5.209 0.690 -3.683 1.00 10.00 C ATOM 1034 CG LEU A 68 3.814 1.262 -3.415 1.00 10.00 C ATOM 1035 CD1 LEU A 68 2.733 0.289 -3.887 1.00 10.00 C ATOM 1036 CD2 LEU A 68 3.607 1.635 -1.952 1.00 10.00 C ATOM 0 H LEU A 68 7.665 0.548 -5.023 1.00 10.00 H new ATOM 0 HA LEU A 68 4.830 0.507 -5.819 1.00 10.00 H new ATOM 0 HB2 LEU A 68 5.226 -0.364 -3.407 1.00 10.00 H new ATOM 0 HB3 LEU A 68 5.936 1.198 -3.049 1.00 10.00 H new ATOM 0 HG LEU A 68 3.732 2.185 -3.989 1.00 10.00 H new ATOM 0 HD11 LEU A 68 1.749 0.714 -3.688 1.00 10.00 H new ATOM 0 HD12 LEU A 68 2.843 0.114 -4.957 1.00 10.00 H new ATOM 0 HD13 LEU A 68 2.835 -0.656 -3.353 1.00 10.00 H new ATOM 0 HD21 LEU A 68 2.602 2.035 -1.817 1.00 10.00 H new ATOM 0 HD22 LEU A 68 3.731 0.749 -1.330 1.00 10.00 H new ATOM 0 HD23 LEU A 68 4.339 2.388 -1.661 1.00 10.00 H new ATOM 1048 N LYS A 69 5.059 3.080 -5.929 1.00 10.00 N ATOM 1049 CA LYS A 69 5.101 4.523 -5.916 1.00 10.00 C ATOM 1050 C LYS A 69 3.683 5.059 -5.898 1.00 10.00 C ATOM 1051 O LYS A 69 2.790 4.404 -6.419 1.00 10.00 O ATOM 1052 CB LYS A 69 5.822 5.029 -7.166 1.00 10.00 C ATOM 1053 CG LYS A 69 7.344 5.049 -7.017 1.00 10.00 C ATOM 1054 CD LYS A 69 7.745 5.762 -5.717 1.00 10.00 C ATOM 1055 CE LYS A 69 9.174 6.303 -5.861 1.00 10.00 C ATOM 1056 NZ LYS A 69 9.698 6.857 -4.597 1.00 10.00 N ATOM 0 H LYS A 69 4.241 2.707 -6.410 1.00 10.00 H new ATOM 0 HA LYS A 69 5.637 4.865 -5.031 1.00 10.00 H new ATOM 0 HB2 LYS A 69 5.555 4.397 -8.013 1.00 10.00 H new ATOM 0 HB3 LYS A 69 5.473 6.035 -7.397 1.00 10.00 H new ATOM 0 HG2 LYS A 69 7.729 4.029 -7.014 1.00 10.00 H new ATOM 0 HG3 LYS A 69 7.793 5.556 -7.871 1.00 10.00 H new ATOM 0 HD2 LYS A 69 7.053 6.578 -5.507 1.00 10.00 H new ATOM 0 HD3 LYS A 69 7.688 5.071 -4.876 1.00 10.00 H new ATOM 0 HE2 LYS A 69 9.830 5.502 -6.203 1.00 10.00 H new ATOM 0 HE3 LYS A 69 9.190 7.077 -6.628 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 10.665 7.209 -4.747 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 9.090 7.640 -4.282 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 9.709 6.113 -3.870 1.00 10.00 H new ATOM 1070 N LEU A 70 3.489 6.235 -5.290 1.00 10.00 N ATOM 1071 CA LEU A 70 2.201 6.913 -5.291 1.00 10.00 C ATOM 1072 C LEU A 70 1.823 7.272 -6.725 1.00 10.00 C ATOM 1073 O LEU A 70 2.674 7.395 -7.605 1.00 10.00 O ATOM 1074 CB LEU A 70 2.268 8.195 -4.453 1.00 10.00 C ATOM 1075 CG LEU A 70 0.941 8.790 -3.959 1.00 10.00 C ATOM 1076 CD1 LEU A 70 0.408 7.998 -2.768 1.00 10.00 C ATOM 1077 CD2 LEU A 70 1.182 10.233 -3.502 1.00 10.00 C ATOM 0 H LEU A 70 4.221 6.736 -4.787 1.00 10.00 H new ATOM 0 HA LEU A 70 1.453 6.248 -4.860 1.00 10.00 H new ATOM 0 HB2 LEU A 70 2.892 7.995 -3.582 1.00 10.00 H new ATOM 0 HB3 LEU A 70 2.779 8.956 -5.043 1.00 10.00 H new ATOM 0 HG LEU A 70 0.218 8.752 -4.774 1.00 10.00 H new ATOM 0 HD11 LEU A 70 -0.533 8.435 -2.432 1.00 10.00 H new ATOM 0 HD12 LEU A 70 0.242 6.962 -3.065 1.00 10.00 H new ATOM 0 HD13 LEU A 70 1.134 8.031 -1.955 1.00 10.00 H new ATOM 0 HD21 LEU A 70 0.245 10.664 -3.149 1.00 10.00 H new ATOM 0 HD22 LEU A 70 1.913 10.241 -2.693 1.00 10.00 H new ATOM 0 HD23 LEU A 70 1.560 10.821 -4.338 1.00 10.00 H new ATOM 1089 N LYS A 71 0.530 7.475 -6.914 1.00 10.00 N ATOM 1090 CA LYS A 71 -0.141 7.801 -8.144 1.00 10.00 C ATOM 1091 C LYS A 71 -0.928 9.085 -7.912 1.00 10.00 C ATOM 1092 O LYS A 71 -0.774 10.061 -8.640 1.00 10.00 O ATOM 1093 CB LYS A 71 -1.050 6.609 -8.425 1.00 10.00 C ATOM 1094 CG LYS A 71 -1.946 6.818 -9.635 1.00 10.00 C ATOM 1095 CD LYS A 71 -1.935 5.515 -10.439 1.00 10.00 C ATOM 1096 CE LYS A 71 -3.048 5.402 -11.483 1.00 10.00 C ATOM 1097 NZ LYS A 71 -2.819 4.214 -12.329 1.00 10.00 N ATOM 0 H LYS A 71 -0.127 7.408 -6.137 1.00 10.00 H new ATOM 0 HA LYS A 71 0.524 7.971 -8.991 1.00 10.00 H new ATOM 0 HB2 LYS A 71 -0.438 5.721 -8.582 1.00 10.00 H new ATOM 0 HB3 LYS A 71 -1.670 6.417 -7.549 1.00 10.00 H new ATOM 0 HG2 LYS A 71 -2.960 7.069 -9.324 1.00 10.00 H new ATOM 0 HG3 LYS A 71 -1.584 7.648 -10.242 1.00 10.00 H new ATOM 0 HD2 LYS A 71 -0.972 5.422 -10.942 1.00 10.00 H new ATOM 0 HD3 LYS A 71 -2.016 4.676 -9.748 1.00 10.00 H new ATOM 0 HE2 LYS A 71 -4.017 5.327 -10.989 1.00 10.00 H new ATOM 0 HE3 LYS A 71 -3.073 6.300 -12.100 1.00 10.00 H new ATOM 0 HZ1 LYS A 71 -3.722 3.724 -12.490 1.00 10.00 H new ATOM 0 HZ2 LYS A 71 -2.418 4.510 -13.242 1.00 10.00 H new ATOM 0 HZ3 LYS A 71 -2.156 3.570 -11.852 1.00 10.00 H new ATOM 1111 N GLY A 72 -1.763 9.071 -6.873 1.00 10.00 N ATOM 1112 CA GLY A 72 -2.521 10.223 -6.440 1.00 10.00 C ATOM 1113 C GLY A 72 -3.461 9.780 -5.331 1.00 10.00 C ATOM 1114 O GLY A 72 -3.111 9.843 -4.155 1.00 10.00 O ATOM 0 H GLY A 72 -1.928 8.240 -6.305 1.00 10.00 H new ATOM 0 HA2 GLY A 72 -1.852 11.006 -6.082 1.00 10.00 H new ATOM 0 HA3 GLY A 72 -3.086 10.642 -7.273 1.00 10.00 H new ATOM 1118 N GLU A 73 -4.630 9.275 -5.716 1.00 10.00 N ATOM 1119 CA GLU A 73 -5.742 9.006 -4.821 1.00 10.00 C ATOM 1120 C GLU A 73 -6.674 8.012 -5.502 1.00 10.00 C ATOM 1121 O GLU A 73 -6.617 7.861 -6.723 1.00 10.00 O ATOM 1122 CB GLU A 73 -6.460 10.320 -4.472 1.00 10.00 C ATOM 1123 CG GLU A 73 -6.985 11.065 -5.711 1.00 10.00 C ATOM 1124 CD GLU A 73 -7.566 12.425 -5.343 1.00 10.00 C ATOM 1125 OE1 GLU A 73 -8.368 12.459 -4.385 1.00 10.00 O ATOM 1126 OE2 GLU A 73 -7.191 13.402 -6.023 1.00 10.00 O ATOM 0 H GLU A 73 -4.831 9.036 -6.687 1.00 10.00 H new ATOM 0 HA GLU A 73 -5.391 8.572 -3.885 1.00 10.00 H new ATOM 0 HB2 GLU A 73 -7.294 10.106 -3.803 1.00 10.00 H new ATOM 0 HB3 GLU A 73 -5.774 10.969 -3.928 1.00 10.00 H new ATOM 0 HG2 GLU A 73 -6.174 11.197 -6.428 1.00 10.00 H new ATOM 0 HG3 GLU A 73 -7.750 10.463 -6.202 1.00 10.00 H new ATOM 1133 N GLN A 74 -7.507 7.333 -4.712 1.00 10.00 N ATOM 1134 CA GLN A 74 -8.532 6.438 -5.223 1.00 10.00 C ATOM 1135 C GLN A 74 -9.839 7.201 -5.394 1.00 10.00 C ATOM 1136 O GLN A 74 -10.157 8.070 -4.584 1.00 10.00 O ATOM 1137 CB GLN A 74 -8.728 5.241 -4.285 1.00 10.00 C ATOM 1138 CG GLN A 74 -9.010 5.647 -2.828 1.00 10.00 C ATOM 1139 CD GLN A 74 -10.176 4.877 -2.219 1.00 10.00 C ATOM 1140 OE1 GLN A 74 -10.011 4.139 -1.254 1.00 10.00 O ATOM 1141 NE2 GLN A 74 -11.378 5.079 -2.748 1.00 10.00 N ATOM 0 H GLN A 74 -7.485 7.393 -3.694 1.00 10.00 H new ATOM 0 HA GLN A 74 -8.212 6.055 -6.192 1.00 10.00 H new ATOM 0 HB2 GLN A 74 -9.555 4.633 -4.652 1.00 10.00 H new ATOM 0 HB3 GLN A 74 -7.836 4.616 -4.314 1.00 10.00 H new ATOM 0 HG2 GLN A 74 -8.116 5.478 -2.228 1.00 10.00 H new ATOM 0 HG3 GLN A 74 -9.224 6.715 -2.787 1.00 10.00 H new ATOM 0 HE21 GLN A 74 -11.484 5.699 -3.551 1.00 10.00 H new ATOM 0 HE22 GLN A 74 -12.195 4.614 -2.351 1.00 10.00 H new ATOM 1150 N ASP A 75 -10.620 6.811 -6.399 1.00 10.00 N ATOM 1151 CA ASP A 75 -12.013 7.200 -6.539 1.00 10.00 C ATOM 1152 C ASP A 75 -12.859 5.932 -6.413 1.00 10.00 C ATOM 1153 O ASP A 75 -12.319 4.826 -6.467 1.00 10.00 O ATOM 1154 CB ASP A 75 -12.215 7.917 -7.879 1.00 10.00 C ATOM 1155 CG ASP A 75 -13.619 8.485 -8.022 1.00 10.00 C ATOM 1156 OD1 ASP A 75 -14.294 8.604 -6.974 1.00 10.00 O ATOM 1157 OD2 ASP A 75 -14.005 8.760 -9.175 1.00 10.00 O ATOM 0 H ASP A 75 -10.292 6.204 -7.151 1.00 10.00 H new ATOM 0 HA ASP A 75 -12.319 7.902 -5.763 1.00 10.00 H new ATOM 0 HB2 ASP A 75 -11.488 8.724 -7.971 1.00 10.00 H new ATOM 0 HB3 ASP A 75 -12.022 7.220 -8.695 1.00 10.00 H new ATOM 1162 N SER A 76 -14.163 6.082 -6.191 1.00 10.00 N ATOM 1163 CA SER A 76 -15.101 4.989 -5.993 1.00 10.00 C ATOM 1164 C SER A 76 -16.520 5.550 -6.113 1.00 10.00 C ATOM 1165 O SER A 76 -17.133 5.921 -5.113 1.00 10.00 O ATOM 1166 CB SER A 76 -14.847 4.314 -4.634 1.00 10.00 C ATOM 1167 OG SER A 76 -15.587 3.113 -4.528 1.00 10.00 O ATOM 0 H SER A 76 -14.606 6.999 -6.143 1.00 10.00 H new ATOM 0 HA SER A 76 -14.968 4.218 -6.752 1.00 10.00 H new ATOM 0 HB2 SER A 76 -13.784 4.103 -4.520 1.00 10.00 H new ATOM 0 HB3 SER A 76 -15.126 4.992 -3.827 1.00 10.00 H new ATOM 0 HG SER A 76 -15.412 2.697 -3.658 1.00 10.00 H new ATOM 1173 N ILE A 77 -17.016 5.648 -7.350 1.00 10.00 N ATOM 1174 CA ILE A 77 -18.357 6.115 -7.675 1.00 10.00 C ATOM 1175 C ILE A 77 -19.210 4.889 -8.051 1.00 10.00 C ATOM 1176 O ILE A 77 -19.003 3.815 -7.492 1.00 10.00 O ATOM 1177 CB ILE A 77 -18.250 7.200 -8.770 1.00 10.00 C ATOM 1178 CG1 ILE A 77 -17.556 6.672 -10.043 1.00 10.00 C ATOM 1179 CG2 ILE A 77 -17.483 8.412 -8.229 1.00 10.00 C ATOM 1180 CD1 ILE A 77 -17.970 7.464 -11.285 1.00 10.00 C ATOM 0 H ILE A 77 -16.473 5.395 -8.176 1.00 10.00 H new ATOM 0 HA ILE A 77 -18.860 6.593 -6.834 1.00 10.00 H new ATOM 0 HB ILE A 77 -19.264 7.492 -9.042 1.00 10.00 H new ATOM 0 HG12 ILE A 77 -16.475 6.730 -9.918 1.00 10.00 H new ATOM 0 HG13 ILE A 77 -17.805 5.620 -10.183 1.00 10.00 H new ATOM 0 HG21 ILE A 77 -17.411 9.173 -9.006 1.00 10.00 H new ATOM 0 HG22 ILE A 77 -18.010 8.821 -7.367 1.00 10.00 H new ATOM 0 HG23 ILE A 77 -16.481 8.104 -7.929 1.00 10.00 H new ATOM 0 HD11 ILE A 77 -17.460 7.061 -12.160 1.00 10.00 H new ATOM 0 HD12 ILE A 77 -19.048 7.384 -11.425 1.00 10.00 H new ATOM 0 HD13 ILE A 77 -17.697 8.511 -11.156 1.00 10.00 H new ATOM 1192 N GLU A 78 -20.125 5.033 -9.017 1.00 10.00 N ATOM 1193 CA GLU A 78 -20.956 3.970 -9.568 1.00 10.00 C ATOM 1194 C GLU A 78 -21.969 3.479 -8.523 1.00 10.00 C ATOM 1195 O GLU A 78 -21.727 2.528 -7.782 1.00 10.00 O ATOM 1196 CB GLU A 78 -20.073 2.878 -10.204 1.00 10.00 C ATOM 1197 CG GLU A 78 -20.728 2.184 -11.411 1.00 10.00 C ATOM 1198 CD GLU A 78 -21.519 0.946 -11.014 1.00 10.00 C ATOM 1199 OE1 GLU A 78 -22.694 1.125 -10.633 1.00 10.00 O ATOM 1200 OE2 GLU A 78 -20.935 -0.153 -11.123 1.00 10.00 O ATOM 0 H GLU A 78 -20.310 5.937 -9.452 1.00 10.00 H new ATOM 0 HA GLU A 78 -21.569 4.348 -10.386 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -19.129 3.323 -10.519 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -19.836 2.129 -9.449 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -21.390 2.888 -11.915 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -19.956 1.903 -12.127 1.00 10.00 H new ATOM 1207 N GLY A 79 -23.105 4.182 -8.438 1.00 10.00 N ATOM 1208 CA GLY A 79 -24.190 3.856 -7.530 1.00 10.00 C ATOM 1209 C GLY A 79 -25.058 5.088 -7.287 1.00 10.00 C ATOM 1210 O GLY A 79 -25.785 5.514 -8.182 1.00 10.00 O ATOM 0 H GLY A 79 -23.290 5.005 -9.011 1.00 10.00 H new ATOM 0 HA2 GLY A 79 -24.795 3.052 -7.948 1.00 10.00 H new ATOM 0 HA3 GLY A 79 -23.787 3.493 -6.585 1.00 10.00 H new ATOM 1214 N ARG A 80 -24.980 5.645 -6.076 1.00 10.00 N ATOM 1215 CA ARG A 80 -25.608 6.904 -5.700 1.00 10.00 C ATOM 1216 C ARG A 80 -24.592 8.031 -5.872 1.00 10.00 C ATOM 1217 O ARG A 80 -23.385 7.706 -5.938 1.00 10.00 O ATOM 1218 CB ARG A 80 -26.044 6.832 -4.231 1.00 10.00 C ATOM 1219 CG ARG A 80 -27.265 5.923 -4.037 1.00 10.00 C ATOM 1220 CD ARG A 80 -27.304 5.336 -2.621 1.00 10.00 C ATOM 1221 NE ARG A 80 -27.194 6.381 -1.590 1.00 10.00 N ATOM 1222 CZ ARG A 80 -27.035 6.142 -0.278 1.00 10.00 C ATOM 1223 NH1 ARG A 80 -27.035 4.881 0.170 1.00 10.00 N ATOM 1224 NH2 ARG A 80 -26.879 7.158 0.579 1.00 10.00 N ATOM 1225 OXT ARG A 80 -25.042 9.197 -5.885 1.00 10.00 O ATOM 0 H ARG A 80 -24.461 5.215 -5.310 1.00 10.00 H new ATOM 0 HA ARG A 80 -26.479 7.090 -6.329 1.00 10.00 H new ATOM 0 HB2 ARG A 80 -25.217 6.462 -3.625 1.00 10.00 H new ATOM 0 HB3 ARG A 80 -26.278 7.835 -3.873 1.00 10.00 H new ATOM 0 HG2 ARG A 80 -28.177 6.491 -4.223 1.00 10.00 H new ATOM 0 HG3 ARG A 80 -27.239 5.114 -4.767 1.00 10.00 H new ATOM 0 HD2 ARG A 80 -28.234 4.785 -2.482 1.00 10.00 H new ATOM 0 HD3 ARG A 80 -26.490 4.621 -2.502 1.00 10.00 H new ATOM 0 HE ARG A 80 -27.242 7.354 -1.893 1.00 10.00 H new ATOM 0 HH11 ARG A 80 -27.155 4.107 -0.484 1.00 10.00 H new ATOM 0 HH12 ARG A 80 -26.915 4.693 1.165 1.00 10.00 H new ATOM 0 HH21 ARG A 80 -26.881 8.119 0.237 1.00 10.00 H new ATOM 0 HH22 ARG A 80 -26.759 6.972 1.575 1.00 10.00 H new TER 1239 ARG A 80