USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 545 hydrogens (10 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 Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -76:sc= -0.098 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.089) USER MOD Single : A 28 LYS NZ :NH3+ 162:sc=-0.00967 (180deg=-0.178) USER MOD Single : A 29 HIS : no HE2:sc= -2.17 K(o=-2.2,f=-3.3) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -2.05 K(o=-2,f=-3.9!) USER MOD Single : B 6 MET CE :methyl 152:sc= -0.102 (180deg=-1.23) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 ASN : amide:sc= -0.846 K(o=-0.85,f=-5.3!) USER MOD Single : B 12 THR OG1 : rot 74:sc= 0.209 USER MOD Single : B 13 HIS :FLIP no HE2:sc= -1.39 F(o=-2.3,f=-1.4) USER MOD Single : B 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 15 GLN : amide:sc= -0.1 K(o=-0.1,f=-2.5!) USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 GLN : amide:sc= -0.211 X(o=-0.21,f=-0.066) USER MOD Single : B 24 ASN : amide:sc= -1.36 K(o=-1.4,f=-6.9!) USER MOD Single : B 29 GLN : amide:sc= -0.874 K(o=-0.87,f=-5!) USER MOD Single : B 30 GLN : amide:sc= 0 X(o=0,f=-0.061) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 2 -0.479 21.276 9.706 1.00 0.00 C HETATM 2 O ACE A 2 0.341 20.399 9.430 1.00 0.00 O HETATM 3 CH3 ACE A 2 -1.240 21.253 11.027 1.00 0.00 C HETATM 0 H1 ACE A 2 -1.022 22.162 11.588 1.00 0.00 H new HETATM 0 H2 ACE A 2 -2.310 21.196 10.829 1.00 0.00 H new HETATM 0 H3 ACE A 2 -0.932 20.385 11.609 1.00 0.00 H new ATOM 7 N CYS A 3 -0.758 22.289 8.893 1.00 0.00 N ATOM 8 CA CYS A 3 -0.094 22.421 7.599 1.00 0.00 C ATOM 9 C CYS A 3 1.233 23.157 7.754 1.00 0.00 C ATOM 10 O CYS A 3 1.293 24.249 8.318 1.00 0.00 O ATOM 11 CB CYS A 3 -0.978 23.193 6.618 1.00 0.00 C ATOM 12 SG CYS A 3 -0.399 22.905 4.927 1.00 0.00 S ATOM 0 H CYS A 3 -1.433 23.025 9.103 1.00 0.00 H new ATOM 0 HA CYS A 3 0.088 21.418 7.212 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -2.015 22.873 6.718 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -0.949 24.258 6.847 1.00 0.00 H new ATOM 17 N GLY A 4 2.299 22.542 7.248 1.00 0.00 N ATOM 18 CA GLY A 4 3.626 23.144 7.335 1.00 0.00 C ATOM 19 C GLY A 4 4.609 22.422 6.420 1.00 0.00 C ATOM 20 O GLY A 4 5.401 23.049 5.716 1.00 0.00 O ATOM 0 H GLY A 4 2.271 21.637 6.778 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.571 24.197 7.059 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.982 23.102 8.364 1.00 0.00 H new ATOM 24 N GLY A 5 4.549 21.093 6.440 1.00 0.00 N ATOM 25 CA GLY A 5 5.439 20.287 5.608 1.00 0.00 C ATOM 26 C GLY A 5 4.669 19.162 4.925 1.00 0.00 C ATOM 27 O GLY A 5 4.887 17.984 5.202 1.00 0.00 O ATOM 0 H GLY A 5 3.901 20.556 7.016 1.00 0.00 H new ATOM 0 HA2 GLY A 5 5.913 20.918 4.856 1.00 0.00 H new ATOM 0 HA3 GLY A 5 6.237 19.868 6.221 1.00 0.00 H new ATOM 31 N VAL A 6 3.765 19.542 4.027 1.00 0.00 N ATOM 32 CA VAL A 6 2.963 18.557 3.304 1.00 0.00 C ATOM 33 C VAL A 6 3.860 17.666 2.453 1.00 0.00 C ATOM 34 O VAL A 6 3.579 16.483 2.256 1.00 0.00 O ATOM 35 CB VAL A 6 1.945 19.255 2.397 1.00 0.00 C ATOM 36 CG1 VAL A 6 0.993 18.215 1.801 1.00 0.00 C ATOM 37 CG2 VAL A 6 1.139 20.268 3.215 1.00 0.00 C ATOM 0 H VAL A 6 3.570 20.513 3.783 1.00 0.00 H new ATOM 0 HA VAL A 6 2.435 17.948 4.037 1.00 0.00 H new ATOM 0 HB VAL A 6 2.472 19.771 1.594 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.269 18.712 1.156 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.563 17.492 1.217 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.468 17.699 2.605 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.415 20.764 2.569 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.614 19.751 4.018 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.814 21.011 3.641 1.00 0.00 H new ATOM 47 N GLN A 7 4.946 18.246 1.948 1.00 0.00 N ATOM 48 CA GLN A 7 5.883 17.497 1.116 1.00 0.00 C ATOM 49 C GLN A 7 6.493 16.343 1.904 1.00 0.00 C ATOM 50 O GLN A 7 6.630 15.228 1.398 1.00 0.00 O ATOM 51 CB GLN A 7 7.006 18.410 0.620 1.00 0.00 C ATOM 52 CG GLN A 7 6.421 19.494 -0.287 1.00 0.00 C ATOM 53 CD GLN A 7 7.472 20.569 -0.540 1.00 0.00 C ATOM 54 OE1 GLN A 7 7.769 21.377 0.341 1.00 0.00 O ATOM 55 NE2 GLN A 7 8.061 20.629 -1.703 1.00 0.00 N ATOM 0 H GLN A 7 5.197 19.223 2.098 1.00 0.00 H new ATOM 0 HA GLN A 7 5.332 17.102 0.262 1.00 0.00 H new ATOM 0 HB2 GLN A 7 7.518 18.867 1.467 1.00 0.00 H new ATOM 0 HB3 GLN A 7 7.749 17.827 0.075 1.00 0.00 H new ATOM 0 HG2 GLN A 7 6.098 19.057 -1.232 1.00 0.00 H new ATOM 0 HG3 GLN A 7 5.539 19.935 0.178 1.00 0.00 H new ATOM 0 HE21 GLN A 7 7.816 19.961 -2.434 1.00 0.00 H new ATOM 0 HE22 GLN A 7 8.766 21.344 -1.881 1.00 0.00 H new ATOM 64 N ALA A 8 6.858 16.623 3.153 1.00 0.00 N ATOM 65 CA ALA A 8 7.456 15.602 4.008 1.00 0.00 C ATOM 66 C ALA A 8 6.439 14.508 4.320 1.00 0.00 C ATOM 67 O ALA A 8 6.702 13.321 4.125 1.00 0.00 O ATOM 68 CB ALA A 8 7.942 16.220 5.320 1.00 0.00 C ATOM 0 H ALA A 8 6.752 17.538 3.591 1.00 0.00 H new ATOM 0 HA ALA A 8 8.303 15.170 3.476 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.385 15.445 5.945 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.689 16.985 5.107 1.00 0.00 H new ATOM 0 HB3 ALA A 8 7.099 16.671 5.844 1.00 0.00 H new ATOM 74 N GLU A 9 5.273 14.922 4.808 1.00 0.00 N ATOM 75 CA GLU A 9 4.218 13.970 5.145 1.00 0.00 C ATOM 76 C GLU A 9 3.760 13.220 3.898 1.00 0.00 C ATOM 77 O GLU A 9 3.450 12.029 3.951 1.00 0.00 O ATOM 78 CB GLU A 9 3.019 14.694 5.760 1.00 0.00 C ATOM 79 CG GLU A 9 2.289 13.753 6.719 1.00 0.00 C ATOM 80 CD GLU A 9 1.310 14.552 7.572 1.00 0.00 C ATOM 81 OE1 GLU A 9 0.548 15.316 7.002 1.00 0.00 O ATOM 82 OE2 GLU A 9 1.336 14.390 8.780 1.00 0.00 O ATOM 0 H GLU A 9 5.036 15.899 4.978 1.00 0.00 H new ATOM 0 HA GLU A 9 4.623 13.261 5.868 1.00 0.00 H new ATOM 0 HB2 GLU A 9 3.353 15.585 6.292 1.00 0.00 H new ATOM 0 HB3 GLU A 9 2.341 15.027 4.975 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.756 12.986 6.157 1.00 0.00 H new ATOM 0 HG3 GLU A 9 3.007 13.239 7.357 1.00 0.00 H new ATOM 89 N GLU A 10 3.721 13.931 2.777 1.00 0.00 N ATOM 90 CA GLU A 10 3.300 13.326 1.516 1.00 0.00 C ATOM 91 C GLU A 10 4.364 12.359 1.006 1.00 0.00 C ATOM 92 O GLU A 10 4.054 11.352 0.368 1.00 0.00 O ATOM 93 CB GLU A 10 3.060 14.404 0.457 1.00 0.00 C ATOM 94 CG GLU A 10 2.405 13.775 -0.773 1.00 0.00 C ATOM 95 CD GLU A 10 2.534 14.723 -1.960 1.00 0.00 C ATOM 96 OE1 GLU A 10 2.434 15.920 -1.750 1.00 0.00 O ATOM 97 OE2 GLU A 10 2.730 14.237 -3.062 1.00 0.00 O ATOM 0 H GLU A 10 3.973 14.917 2.713 1.00 0.00 H new ATOM 0 HA GLU A 10 2.372 12.783 1.699 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.421 15.189 0.861 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.004 14.873 0.180 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.880 12.821 -1.003 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.354 13.568 -0.572 1.00 0.00 H new ATOM 104 N GLN A 11 5.624 12.676 1.295 1.00 0.00 N ATOM 105 CA GLN A 11 6.732 11.827 0.861 1.00 0.00 C ATOM 106 C GLN A 11 6.612 10.435 1.470 1.00 0.00 C ATOM 107 O GLN A 11 6.906 9.429 0.822 1.00 0.00 O ATOM 108 CB GLN A 11 8.070 12.441 1.280 1.00 0.00 C ATOM 109 CG GLN A 11 9.205 11.770 0.505 1.00 0.00 C ATOM 110 CD GLN A 11 10.465 12.621 0.610 1.00 0.00 C ATOM 111 OE1 GLN A 11 11.415 12.255 1.306 1.00 0.00 O ATOM 112 NE2 GLN A 11 10.534 13.748 -0.044 1.00 0.00 N ATOM 0 H GLN A 11 5.902 13.504 1.821 1.00 0.00 H new ATOM 0 HA GLN A 11 6.690 11.750 -0.225 1.00 0.00 H new ATOM 0 HB2 GLN A 11 8.067 13.513 1.085 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.221 12.312 2.352 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.392 10.773 0.904 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.923 11.647 -0.541 1.00 0.00 H new ATOM 0 HE21 GLN A 11 9.749 14.052 -0.620 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.373 14.325 0.021 1.00 0.00 H new ATOM 121 N LYS A 12 6.176 10.387 2.726 1.00 0.00 N ATOM 122 CA LYS A 12 6.020 9.111 3.419 1.00 0.00 C ATOM 123 C LYS A 12 4.835 8.338 2.851 1.00 0.00 C ATOM 124 O LYS A 12 4.880 7.115 2.713 1.00 0.00 O ATOM 125 CB LYS A 12 5.794 9.340 4.915 1.00 0.00 C ATOM 126 CG LYS A 12 7.071 9.897 5.545 1.00 0.00 C ATOM 127 CD LYS A 12 7.143 9.476 7.014 1.00 0.00 C ATOM 128 CE LYS A 12 8.569 9.676 7.533 1.00 0.00 C ATOM 129 NZ LYS A 12 8.811 8.762 8.685 1.00 0.00 N ATOM 0 H LYS A 12 5.927 11.207 3.280 1.00 0.00 H new ATOM 0 HA LYS A 12 6.933 8.534 3.273 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.968 10.035 5.067 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.516 8.404 5.399 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.945 9.529 5.007 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.083 10.984 5.467 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.443 10.065 7.607 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.850 8.431 7.119 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.288 9.476 6.739 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.714 10.712 7.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.780 8.897 9.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.133 8.974 9.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.689 7.776 8.377 1.00 0.00 H new ATOM 143 N LEU A 13 3.770 9.065 2.521 1.00 0.00 N ATOM 144 CA LEU A 13 2.574 8.439 1.965 1.00 0.00 C ATOM 145 C LEU A 13 2.896 7.760 0.637 1.00 0.00 C ATOM 146 O LEU A 13 2.317 6.728 0.294 1.00 0.00 O ATOM 147 CB LEU A 13 1.479 9.486 1.740 1.00 0.00 C ATOM 148 CG LEU A 13 0.572 9.553 2.971 1.00 0.00 C ATOM 149 CD1 LEU A 13 -0.327 10.785 2.876 1.00 0.00 C ATOM 150 CD2 LEU A 13 -0.295 8.293 3.033 1.00 0.00 C ATOM 0 H LEU A 13 3.711 10.078 2.628 1.00 0.00 H new ATOM 0 HA LEU A 13 2.221 7.693 2.677 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.928 10.462 1.553 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.893 9.230 0.857 1.00 0.00 H new ATOM 0 HG LEU A 13 1.184 9.619 3.870 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.973 10.833 3.753 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.290 11.683 2.830 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.940 10.720 1.977 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.942 8.339 3.909 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.907 8.228 2.133 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.345 7.414 3.101 1.00 0.00 H new ATOM 162 N ILE A 14 3.826 8.352 -0.108 1.00 0.00 N ATOM 163 CA ILE A 14 4.222 7.798 -1.400 1.00 0.00 C ATOM 164 C ILE A 14 5.111 6.574 -1.205 1.00 0.00 C ATOM 165 O ILE A 14 4.824 5.491 -1.715 1.00 0.00 O ATOM 166 CB ILE A 14 4.981 8.848 -2.222 1.00 0.00 C ATOM 167 CG1 ILE A 14 4.121 10.106 -2.360 1.00 0.00 C ATOM 168 CG2 ILE A 14 5.291 8.291 -3.616 1.00 0.00 C ATOM 169 CD1 ILE A 14 5.027 11.331 -2.497 1.00 0.00 C ATOM 0 H ILE A 14 4.315 9.207 0.157 1.00 0.00 H new ATOM 0 HA ILE A 14 3.318 7.505 -1.934 1.00 0.00 H new ATOM 0 HB ILE A 14 5.914 9.094 -1.715 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.472 10.022 -3.231 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.474 10.214 -1.489 1.00 0.00 H new ATOM 0 HG21 ILE A 14 5.830 9.040 -4.196 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.904 7.395 -3.522 1.00 0.00 H new ATOM 0 HG23 ILE A 14 4.359 8.041 -4.123 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.415 12.227 -2.595 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.658 11.418 -1.612 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.655 11.222 -3.381 1.00 0.00 H new ATOM 181 N SER A 15 6.201 6.761 -0.465 1.00 0.00 N ATOM 182 CA SER A 15 7.137 5.667 -0.212 1.00 0.00 C ATOM 183 C SER A 15 6.436 4.510 0.497 1.00 0.00 C ATOM 184 O SER A 15 6.718 3.341 0.232 1.00 0.00 O ATOM 185 CB SER A 15 8.301 6.149 0.653 1.00 0.00 C ATOM 186 OG SER A 15 7.790 6.732 1.845 1.00 0.00 O ATOM 0 H SER A 15 6.457 7.649 -0.034 1.00 0.00 H new ATOM 0 HA SER A 15 7.516 5.323 -1.174 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.959 5.314 0.896 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.899 6.878 0.105 1.00 0.00 H new ATOM 0 HG SER A 15 7.432 7.623 1.646 1.00 0.00 H new ATOM 192 N GLU A 16 5.522 4.850 1.399 1.00 0.00 N ATOM 193 CA GLU A 16 4.784 3.832 2.143 1.00 0.00 C ATOM 194 C GLU A 16 3.944 2.986 1.192 1.00 0.00 C ATOM 195 O GLU A 16 3.779 1.781 1.390 1.00 0.00 O ATOM 196 CB GLU A 16 3.865 4.482 3.177 1.00 0.00 C ATOM 197 CG GLU A 16 3.274 3.404 4.086 1.00 0.00 C ATOM 198 CD GLU A 16 2.027 3.945 4.777 1.00 0.00 C ATOM 199 OE1 GLU A 16 1.178 4.484 4.086 1.00 0.00 O ATOM 200 OE2 GLU A 16 1.941 3.814 5.985 1.00 0.00 O ATOM 0 H GLU A 16 5.275 5.812 1.632 1.00 0.00 H new ATOM 0 HA GLU A 16 5.508 3.197 2.654 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.423 5.207 3.770 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.066 5.028 2.676 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.023 2.519 3.502 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.010 3.097 4.829 1.00 0.00 H new ATOM 207 N GLU A 17 3.415 3.630 0.157 1.00 0.00 N ATOM 208 CA GLU A 17 2.590 2.930 -0.824 1.00 0.00 C ATOM 209 C GLU A 17 3.439 1.955 -1.634 1.00 0.00 C ATOM 210 O GLU A 17 3.018 0.836 -1.926 1.00 0.00 O ATOM 211 CB GLU A 17 1.929 3.927 -1.778 1.00 0.00 C ATOM 212 CG GLU A 17 0.891 3.203 -2.636 1.00 0.00 C ATOM 213 CD GLU A 17 0.608 4.021 -3.890 1.00 0.00 C ATOM 214 OE1 GLU A 17 0.177 5.153 -3.751 1.00 0.00 O ATOM 215 OE2 GLU A 17 0.824 3.502 -4.974 1.00 0.00 O ATOM 0 H GLU A 17 3.540 4.626 -0.025 1.00 0.00 H new ATOM 0 HA GLU A 17 1.819 2.380 -0.284 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.453 4.727 -1.211 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.682 4.391 -2.415 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.256 2.213 -2.909 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.028 3.058 -2.068 1.00 0.00 H new ATOM 222 N ASP A 18 4.643 2.394 -1.992 1.00 0.00 N ATOM 223 CA ASP A 18 5.549 1.554 -2.769 1.00 0.00 C ATOM 224 C ASP A 18 5.911 0.295 -1.987 1.00 0.00 C ATOM 225 O ASP A 18 6.063 -0.786 -2.556 1.00 0.00 O ATOM 226 CB ASP A 18 6.831 2.317 -3.106 1.00 0.00 C ATOM 227 CG ASP A 18 7.489 1.692 -4.332 1.00 0.00 C ATOM 228 OD1 ASP A 18 8.241 0.747 -4.159 1.00 0.00 O ATOM 229 OD2 ASP A 18 7.231 2.168 -5.424 1.00 0.00 O ATOM 0 H ASP A 18 5.011 3.317 -1.759 1.00 0.00 H new ATOM 0 HA ASP A 18 5.040 1.275 -3.692 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.603 3.365 -3.298 1.00 0.00 H new ATOM 0 HB3 ASP A 18 7.516 2.290 -2.259 1.00 0.00 H new ATOM 234 N LEU A 19 6.046 0.448 -0.672 1.00 0.00 N ATOM 235 CA LEU A 19 6.390 -0.683 0.186 1.00 0.00 C ATOM 236 C LEU A 19 5.294 -1.743 0.128 1.00 0.00 C ATOM 237 O LEU A 19 5.570 -2.938 0.009 1.00 0.00 O ATOM 238 CB LEU A 19 6.570 -0.219 1.640 1.00 0.00 C ATOM 239 CG LEU A 19 8.058 0.005 1.954 1.00 0.00 C ATOM 240 CD1 LEU A 19 8.828 -1.307 1.792 1.00 0.00 C ATOM 241 CD2 LEU A 19 8.640 1.062 1.007 1.00 0.00 C ATOM 0 H LEU A 19 5.924 1.334 -0.181 1.00 0.00 H new ATOM 0 HA LEU A 19 7.326 -1.110 -0.173 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.015 0.704 1.805 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.157 -0.965 2.320 1.00 0.00 H new ATOM 0 HG LEU A 19 8.153 0.353 2.982 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.882 -1.141 2.016 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.425 -2.053 2.477 1.00 0.00 H new ATOM 0 HD13 LEU A 19 8.727 -1.664 0.767 1.00 0.00 H new ATOM 0 HD21 LEU A 19 9.695 1.215 1.236 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.538 0.723 -0.024 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.101 2.001 1.135 1.00 0.00 H new ATOM 253 N LEU A 20 4.046 -1.292 0.212 1.00 0.00 N ATOM 254 CA LEU A 20 2.909 -2.208 0.169 1.00 0.00 C ATOM 255 C LEU A 20 2.775 -2.823 -1.221 1.00 0.00 C ATOM 256 O LEU A 20 2.355 -3.970 -1.371 1.00 0.00 O ATOM 257 CB LEU A 20 1.614 -1.473 0.518 1.00 0.00 C ATOM 258 CG LEU A 20 1.374 -1.550 2.026 1.00 0.00 C ATOM 259 CD1 LEU A 20 0.584 -0.322 2.481 1.00 0.00 C ATOM 260 CD2 LEU A 20 0.577 -2.816 2.350 1.00 0.00 C ATOM 0 H LEU A 20 3.797 -0.308 0.309 1.00 0.00 H new ATOM 0 HA LEU A 20 3.084 -2.997 0.901 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.678 -0.432 0.202 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.775 -1.918 -0.018 1.00 0.00 H new ATOM 0 HG LEU A 20 2.332 -1.579 2.545 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.413 -0.377 3.556 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.149 0.581 2.249 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.374 -0.293 1.962 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.405 -2.873 3.425 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.381 -2.786 1.830 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.138 -3.692 2.026 1.00 0.00 H new ATOM 272 N ARG A 21 3.136 -2.043 -2.237 1.00 0.00 N ATOM 273 CA ARG A 21 3.053 -2.518 -3.616 1.00 0.00 C ATOM 274 C ARG A 21 3.973 -3.716 -3.824 1.00 0.00 C ATOM 275 O ARG A 21 3.595 -4.707 -4.447 1.00 0.00 O ATOM 276 CB ARG A 21 3.451 -1.407 -4.589 1.00 0.00 C ATOM 277 CG ARG A 21 2.224 -0.556 -4.922 1.00 0.00 C ATOM 278 CD ARG A 21 2.653 0.897 -5.133 1.00 0.00 C ATOM 279 NE ARG A 21 3.579 1.005 -6.264 1.00 0.00 N ATOM 280 CZ ARG A 21 3.838 2.176 -6.866 1.00 0.00 C ATOM 281 NH1 ARG A 21 3.267 3.287 -6.463 1.00 0.00 N ATOM 282 NH2 ARG A 21 4.672 2.209 -7.868 1.00 0.00 N ATOM 0 H ARG A 21 3.485 -1.090 -2.134 1.00 0.00 H new ATOM 0 HA ARG A 21 2.022 -2.816 -3.808 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.230 -0.785 -4.148 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.866 -1.838 -5.500 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.737 -0.937 -5.820 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.495 -0.617 -4.114 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.776 1.518 -5.314 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.130 1.276 -4.229 1.00 0.00 H new ATOM 0 HE ARG A 21 4.042 0.162 -6.605 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.614 3.270 -5.680 1.00 0.00 H new ATOM 0 HH12 ARG A 21 3.476 4.168 -6.933 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.120 1.350 -8.187 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.876 3.094 -8.333 1.00 0.00 H new ATOM 296 N LYS A 22 5.188 -3.613 -3.292 1.00 0.00 N ATOM 297 CA LYS A 22 6.161 -4.694 -3.422 1.00 0.00 C ATOM 298 C LYS A 22 5.656 -5.952 -2.723 1.00 0.00 C ATOM 299 O LYS A 22 5.847 -7.069 -3.207 1.00 0.00 O ATOM 300 CB LYS A 22 7.502 -4.287 -2.809 1.00 0.00 C ATOM 301 CG LYS A 22 8.184 -3.254 -3.708 1.00 0.00 C ATOM 302 CD LYS A 22 8.948 -3.972 -4.822 1.00 0.00 C ATOM 303 CE LYS A 22 10.382 -4.246 -4.364 1.00 0.00 C ATOM 304 NZ LYS A 22 11.014 -5.239 -5.277 1.00 0.00 N ATOM 0 H LYS A 22 5.520 -2.801 -2.772 1.00 0.00 H new ATOM 0 HA LYS A 22 6.296 -4.897 -4.484 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.347 -3.872 -1.813 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.141 -5.162 -2.694 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.440 -2.582 -4.137 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.867 -2.640 -3.121 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.450 -4.909 -5.073 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.954 -3.362 -5.725 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.957 -3.320 -4.362 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.383 -4.624 -3.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.989 -5.425 -4.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.469 -6.125 -5.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.026 -4.861 -6.246 1.00 0.00 H new ATOM 318 N ARG A 23 5.009 -5.758 -1.579 1.00 0.00 N ATOM 319 CA ARG A 23 4.476 -6.883 -0.815 1.00 0.00 C ATOM 320 C ARG A 23 3.316 -7.534 -1.562 1.00 0.00 C ATOM 321 O ARG A 23 3.109 -8.744 -1.483 1.00 0.00 O ATOM 322 CB ARG A 23 3.985 -6.416 0.558 1.00 0.00 C ATOM 323 CG ARG A 23 3.775 -7.629 1.466 1.00 0.00 C ATOM 324 CD ARG A 23 3.052 -7.193 2.741 1.00 0.00 C ATOM 325 NE ARG A 23 2.574 -8.358 3.489 1.00 0.00 N ATOM 326 CZ ARG A 23 3.408 -9.163 4.165 1.00 0.00 C ATOM 327 NH1 ARG A 23 4.700 -8.940 4.187 1.00 0.00 N ATOM 328 NH2 ARG A 23 2.923 -10.186 4.814 1.00 0.00 N ATOM 0 H ARG A 23 4.841 -4.842 -1.162 1.00 0.00 H new ATOM 0 HA ARG A 23 5.278 -7.609 -0.685 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.711 -5.737 1.004 1.00 0.00 H new ATOM 0 HB3 ARG A 23 3.052 -5.862 0.453 1.00 0.00 H new ATOM 0 HG2 ARG A 23 3.192 -8.389 0.946 1.00 0.00 H new ATOM 0 HG3 ARG A 23 4.735 -8.080 1.716 1.00 0.00 H new ATOM 0 HD2 ARG A 23 3.726 -6.606 3.365 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.211 -6.548 2.486 1.00 0.00 H new ATOM 0 HE ARG A 23 1.575 -8.564 3.496 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.088 -8.142 3.684 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.317 -9.564 4.707 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.919 -10.367 4.804 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.548 -10.805 5.331 1.00 0.00 H new ATOM 342 N ARG A 24 2.562 -6.714 -2.288 1.00 0.00 N ATOM 343 CA ARG A 24 1.422 -7.216 -3.049 1.00 0.00 C ATOM 344 C ARG A 24 1.884 -8.207 -4.112 1.00 0.00 C ATOM 345 O ARG A 24 1.403 -9.339 -4.179 1.00 0.00 O ATOM 346 CB ARG A 24 0.683 -6.064 -3.731 1.00 0.00 C ATOM 347 CG ARG A 24 -0.638 -6.574 -4.308 1.00 0.00 C ATOM 348 CD ARG A 24 -1.470 -5.392 -4.807 1.00 0.00 C ATOM 349 NE ARG A 24 -2.702 -5.859 -5.449 1.00 0.00 N ATOM 350 CZ ARG A 24 -2.711 -6.358 -6.693 1.00 0.00 C ATOM 351 NH1 ARG A 24 -1.607 -6.451 -7.398 1.00 0.00 N ATOM 352 NH2 ARG A 24 -3.838 -6.759 -7.214 1.00 0.00 N ATOM 0 H ARG A 24 2.717 -5.709 -2.366 1.00 0.00 H new ATOM 0 HA ARG A 24 0.749 -7.717 -2.353 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.494 -5.265 -3.015 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.300 -5.642 -4.525 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.445 -7.267 -5.127 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.190 -7.125 -3.547 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -1.716 -4.736 -3.972 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.886 -4.803 -5.514 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.580 -5.803 -4.933 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.720 -6.140 -7.001 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.636 -6.834 -8.343 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.702 -6.691 -6.675 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.855 -7.140 -8.160 1.00 0.00 H new ATOM 366 N GLU A 25 2.824 -7.769 -4.944 1.00 0.00 N ATOM 367 CA GLU A 25 3.349 -8.624 -6.006 1.00 0.00 C ATOM 368 C GLU A 25 4.029 -9.854 -5.413 1.00 0.00 C ATOM 369 O GLU A 25 3.981 -10.944 -5.983 1.00 0.00 O ATOM 370 CB GLU A 25 4.362 -7.857 -6.859 1.00 0.00 C ATOM 371 CG GLU A 25 4.416 -8.471 -8.260 1.00 0.00 C ATOM 372 CD GLU A 25 3.386 -7.790 -9.154 1.00 0.00 C ATOM 373 OE1 GLU A 25 2.211 -7.869 -8.838 1.00 0.00 O ATOM 374 OE2 GLU A 25 3.787 -7.199 -10.143 1.00 0.00 O ATOM 0 H GLU A 25 3.235 -6.836 -4.906 1.00 0.00 H new ATOM 0 HA GLU A 25 2.512 -8.937 -6.630 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.080 -6.806 -6.921 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.348 -7.895 -6.395 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.414 -8.353 -8.682 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.217 -9.541 -8.207 1.00 0.00 H new ATOM 381 N GLN A 26 4.662 -9.666 -4.258 1.00 0.00 N ATOM 382 CA GLN A 26 5.350 -10.768 -3.591 1.00 0.00 C ATOM 383 C GLN A 26 4.357 -11.856 -3.197 1.00 0.00 C ATOM 384 O GLN A 26 4.608 -13.046 -3.389 1.00 0.00 O ATOM 385 CB GLN A 26 6.067 -10.269 -2.335 1.00 0.00 C ATOM 386 CG GLN A 26 7.415 -9.662 -2.724 1.00 0.00 C ATOM 387 CD GLN A 26 8.072 -9.050 -1.490 1.00 0.00 C ATOM 388 OE1 GLN A 26 8.167 -9.693 -0.445 1.00 0.00 O ATOM 389 NE2 GLN A 26 8.537 -7.833 -1.550 1.00 0.00 N ATOM 0 H GLN A 26 4.713 -8.772 -3.769 1.00 0.00 H new ATOM 0 HA GLN A 26 6.081 -11.179 -4.287 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.455 -9.525 -1.825 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.215 -11.093 -1.637 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.062 -10.429 -3.151 1.00 0.00 H new ATOM 0 HG3 GLN A 26 7.275 -8.900 -3.491 1.00 0.00 H new ATOM 0 HE21 GLN A 26 8.459 -7.299 -2.416 1.00 0.00 H new ATOM 0 HE22 GLN A 26 8.979 -7.415 -0.731 1.00 0.00 H new ATOM 398 N LEU A 27 3.224 -11.433 -2.643 1.00 0.00 N ATOM 399 CA LEU A 27 2.194 -12.379 -2.222 1.00 0.00 C ATOM 400 C LEU A 27 1.659 -13.153 -3.423 1.00 0.00 C ATOM 401 O LEU A 27 1.327 -14.334 -3.321 1.00 0.00 O ATOM 402 CB LEU A 27 1.034 -11.642 -1.548 1.00 0.00 C ATOM 403 CG LEU A 27 1.474 -11.150 -0.170 1.00 0.00 C ATOM 404 CD1 LEU A 27 0.586 -9.984 0.264 1.00 0.00 C ATOM 405 CD2 LEU A 27 1.347 -12.291 0.842 1.00 0.00 C ATOM 0 H LEU A 27 2.997 -10.453 -2.476 1.00 0.00 H new ATOM 0 HA LEU A 27 2.644 -13.073 -1.513 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.718 -10.799 -2.163 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.175 -12.306 -1.452 1.00 0.00 H new ATOM 0 HG LEU A 27 2.511 -10.818 -0.217 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.900 -9.634 1.247 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.675 -9.171 -0.457 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.451 -10.315 0.311 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.661 -11.941 1.826 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.310 -12.622 0.888 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.980 -13.123 0.534 1.00 0.00 H new ATOM 417 N LYS A 28 1.581 -12.474 -4.564 1.00 0.00 N ATOM 418 CA LYS A 28 1.086 -13.104 -5.783 1.00 0.00 C ATOM 419 C LYS A 28 2.114 -14.091 -6.328 1.00 0.00 C ATOM 420 O LYS A 28 1.763 -15.112 -6.918 1.00 0.00 O ATOM 421 CB LYS A 28 0.794 -12.049 -6.852 1.00 0.00 C ATOM 422 CG LYS A 28 -0.174 -12.624 -7.887 1.00 0.00 C ATOM 423 CD LYS A 28 -1.081 -11.508 -8.414 1.00 0.00 C ATOM 424 CE LYS A 28 -2.297 -12.123 -9.108 1.00 0.00 C ATOM 425 NZ LYS A 28 -3.258 -12.618 -8.083 1.00 0.00 N ATOM 0 H LYS A 28 1.852 -11.496 -4.670 1.00 0.00 H new ATOM 0 HA LYS A 28 0.166 -13.635 -5.537 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.364 -11.159 -6.392 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.721 -11.741 -7.337 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.382 -13.074 -8.710 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.776 -13.414 -7.438 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.403 -10.868 -7.592 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.531 -10.877 -9.112 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.779 -11.381 -9.745 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.984 -12.943 -9.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.193 -12.751 -8.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.922 -13.525 -7.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.332 -11.924 -7.312 1.00 0.00 H new ATOM 439 N HIS A 29 3.388 -13.772 -6.124 1.00 0.00 N ATOM 440 CA HIS A 29 4.466 -14.637 -6.599 1.00 0.00 C ATOM 441 C HIS A 29 4.541 -15.908 -5.756 1.00 0.00 C ATOM 442 O HIS A 29 4.875 -16.981 -6.253 1.00 0.00 O ATOM 443 CB HIS A 29 5.809 -13.910 -6.523 1.00 0.00 C ATOM 444 CG HIS A 29 5.878 -12.872 -7.610 1.00 0.00 C ATOM 445 ND1 HIS A 29 5.651 -13.180 -8.942 1.00 0.00 N ATOM 446 CD2 HIS A 29 6.145 -11.526 -7.576 1.00 0.00 C ATOM 447 CE1 HIS A 29 5.787 -12.042 -9.649 1.00 0.00 C ATOM 448 NE2 HIS A 29 6.089 -11.004 -8.865 1.00 0.00 N ATOM 0 H HIS A 29 3.699 -12.931 -5.638 1.00 0.00 H new ATOM 0 HA HIS A 29 4.254 -14.900 -7.635 1.00 0.00 H new ATOM 0 HB2 HIS A 29 5.925 -13.439 -5.547 1.00 0.00 H new ATOM 0 HB3 HIS A 29 6.627 -14.622 -6.632 1.00 0.00 H new ATOM 0 HD1 HIS A 29 5.423 -14.100 -9.318 1.00 0.00 H new ATOM 0 HD2 HIS A 29 6.365 -10.958 -6.684 1.00 0.00 H new ATOM 0 HE1 HIS A 29 5.666 -11.977 -10.720 1.00 0.00 H new ATOM 456 N LYS A 30 4.225 -15.769 -4.472 1.00 0.00 N ATOM 457 CA LYS A 30 4.260 -16.910 -3.561 1.00 0.00 C ATOM 458 C LYS A 30 3.154 -17.903 -3.907 1.00 0.00 C ATOM 459 O LYS A 30 3.316 -19.113 -3.756 1.00 0.00 O ATOM 460 CB LYS A 30 4.079 -16.449 -2.114 1.00 0.00 C ATOM 461 CG LYS A 30 4.412 -17.601 -1.164 1.00 0.00 C ATOM 462 CD LYS A 30 5.876 -17.498 -0.731 1.00 0.00 C ATOM 463 CE LYS A 30 6.092 -18.329 0.536 1.00 0.00 C ATOM 464 NZ LYS A 30 7.251 -17.782 1.296 1.00 0.00 N ATOM 0 H LYS A 30 3.945 -14.888 -4.041 1.00 0.00 H new ATOM 0 HA LYS A 30 5.231 -17.394 -3.668 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.727 -15.597 -1.909 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.054 -16.116 -1.953 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.760 -17.567 -0.291 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.234 -18.556 -1.657 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.528 -17.854 -1.528 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.139 -16.457 -0.545 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.195 -18.308 1.155 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.274 -19.371 0.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.399 -18.346 2.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.105 -17.824 0.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.059 -16.794 1.558 1.00 0.00 H new ATOM 478 N LEU A 31 2.026 -17.375 -4.375 1.00 0.00 N ATOM 479 CA LEU A 31 0.895 -18.223 -4.741 1.00 0.00 C ATOM 480 C LEU A 31 0.991 -18.632 -6.208 1.00 0.00 C ATOM 481 O LEU A 31 0.779 -19.793 -6.559 1.00 0.00 O ATOM 482 CB LEU A 31 -0.430 -17.479 -4.514 1.00 0.00 C ATOM 483 CG LEU A 31 -1.521 -18.453 -4.038 1.00 0.00 C ATOM 484 CD1 LEU A 31 -1.727 -19.563 -5.074 1.00 0.00 C ATOM 485 CD2 LEU A 31 -1.114 -19.075 -2.699 1.00 0.00 C ATOM 0 H LEU A 31 1.871 -16.376 -4.509 1.00 0.00 H new ATOM 0 HA LEU A 31 0.923 -19.113 -4.112 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.289 -16.692 -3.774 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.745 -16.995 -5.438 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.453 -17.902 -3.915 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.502 -20.246 -4.726 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.031 -19.123 -6.023 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.795 -20.111 -5.211 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.891 -19.764 -2.367 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.176 -19.617 -2.820 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.986 -18.288 -1.956 1.00 0.00 H new ATOM 497 N GLU A 32 1.310 -17.662 -7.060 1.00 0.00 N ATOM 498 CA GLU A 32 1.432 -17.928 -8.491 1.00 0.00 C ATOM 499 C GLU A 32 2.686 -18.748 -8.777 1.00 0.00 C ATOM 500 O GLU A 32 2.609 -19.888 -9.236 1.00 0.00 O ATOM 501 CB GLU A 32 1.505 -16.615 -9.274 1.00 0.00 C ATOM 502 CG GLU A 32 1.338 -16.902 -10.767 1.00 0.00 C ATOM 503 CD GLU A 32 2.695 -17.238 -11.376 1.00 0.00 C ATOM 504 OE1 GLU A 32 3.654 -16.561 -11.045 1.00 0.00 O ATOM 505 OE2 GLU A 32 2.755 -18.167 -12.165 1.00 0.00 O ATOM 0 H GLU A 32 1.487 -16.695 -6.789 1.00 0.00 H new ATOM 0 HA GLU A 32 0.552 -18.490 -8.805 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.726 -15.933 -8.934 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.461 -16.123 -9.092 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.646 -17.732 -10.913 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.907 -16.036 -11.269 1.00 0.00 H new ATOM 512 N GLN A 33 3.844 -18.154 -8.500 1.00 0.00 N ATOM 513 CA GLN A 33 5.113 -18.836 -8.732 1.00 0.00 C ATOM 514 C GLN A 33 5.219 -20.078 -7.851 1.00 0.00 C ATOM 515 O GLN A 33 5.248 -21.206 -8.345 1.00 0.00 O ATOM 516 CB GLN A 33 6.287 -17.906 -8.423 1.00 0.00 C ATOM 517 CG GLN A 33 7.468 -18.256 -9.331 1.00 0.00 C ATOM 518 CD GLN A 33 8.014 -19.628 -8.950 1.00 0.00 C ATOM 519 OE1 GLN A 33 7.480 -20.654 -9.372 1.00 0.00 O ATOM 520 NE2 GLN A 33 9.057 -19.707 -8.170 1.00 0.00 N ATOM 0 H GLN A 33 3.930 -17.212 -8.119 1.00 0.00 H new ATOM 0 HA GLN A 33 5.149 -19.129 -9.781 1.00 0.00 H new ATOM 0 HB2 GLN A 33 5.992 -16.868 -8.576 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.577 -18.004 -7.377 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.151 -18.256 -10.374 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.250 -17.502 -9.235 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.498 -18.856 -7.821 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.431 -20.619 -7.909 1.00 0.00 H new ATOM 529 N LEU A 34 5.276 -19.857 -6.542 1.00 0.00 N ATOM 530 CA LEU A 34 5.381 -20.964 -5.596 1.00 0.00 C ATOM 531 C LEU A 34 4.002 -21.548 -5.306 1.00 0.00 C ATOM 532 O LEU A 34 2.980 -20.960 -5.660 1.00 0.00 O ATOM 533 CB LEU A 34 6.007 -20.490 -4.283 1.00 0.00 C ATOM 534 CG LEU A 34 7.528 -20.631 -4.362 1.00 0.00 C ATOM 535 CD1 LEU A 34 8.166 -19.982 -3.133 1.00 0.00 C ATOM 536 CD2 LEU A 34 7.900 -22.114 -4.404 1.00 0.00 C ATOM 0 H LEU A 34 5.252 -18.931 -6.114 1.00 0.00 H new ATOM 0 HA LEU A 34 6.014 -21.730 -6.043 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.737 -19.451 -4.093 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.620 -21.077 -3.450 1.00 0.00 H new ATOM 0 HG LEU A 34 7.892 -20.138 -5.263 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.250 -20.083 -3.190 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.901 -18.925 -3.101 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.803 -20.475 -2.231 1.00 0.00 H new ATOM 0 HD21 LEU A 34 8.984 -22.216 -4.460 1.00 0.00 H new ATOM 0 HD22 LEU A 34 7.536 -22.606 -3.502 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.446 -22.578 -5.279 1.00 0.00 H new HETATM 548 N NH2 A 35 3.912 -22.688 -4.676 1.00 0.00 N TER 551 NH2 A 35 HETATM 552 C ACE B 2 -1.097 26.563 0.467 1.00 0.00 C HETATM 553 O ACE B 2 -0.939 25.800 -0.485 1.00 0.00 O HETATM 554 CH3 ACE B 2 -0.575 27.996 0.423 1.00 0.00 C HETATM 0 H1 ACE B 2 -1.407 28.690 0.540 1.00 0.00 H new HETATM 0 H2 ACE B 2 0.140 28.148 1.231 1.00 0.00 H new HETATM 0 H3 ACE B 2 -0.085 28.175 -0.534 1.00 0.00 H new ATOM 558 N CYS B 3 -1.719 26.208 1.587 1.00 0.00 N ATOM 559 CA CYS B 3 -2.263 24.864 1.752 1.00 0.00 C ATOM 560 C CYS B 3 -3.659 24.777 1.144 1.00 0.00 C ATOM 561 O CYS B 3 -4.608 25.384 1.641 1.00 0.00 O ATOM 562 CB CYS B 3 -2.343 24.493 3.235 1.00 0.00 C ATOM 563 SG CYS B 3 -0.706 24.668 3.991 1.00 0.00 S ATOM 0 H CYS B 3 -1.858 26.825 2.387 1.00 0.00 H new ATOM 0 HA CYS B 3 -1.598 24.169 1.241 1.00 0.00 H new ATOM 0 HB2 CYS B 3 -3.061 25.137 3.744 1.00 0.00 H new ATOM 0 HB3 CYS B 3 -2.699 23.469 3.346 1.00 0.00 H new ATOM 568 N GLY B 4 -3.774 24.014 0.060 1.00 0.00 N ATOM 569 CA GLY B 4 -5.060 23.853 -0.613 1.00 0.00 C ATOM 570 C GLY B 4 -5.089 22.559 -1.420 1.00 0.00 C ATOM 571 O GLY B 4 -5.734 22.477 -2.466 1.00 0.00 O ATOM 0 H GLY B 4 -3.002 23.503 -0.367 1.00 0.00 H new ATOM 0 HA2 GLY B 4 -5.863 23.846 0.124 1.00 0.00 H new ATOM 0 HA3 GLY B 4 -5.240 24.702 -1.272 1.00 0.00 H new ATOM 575 N GLY B 5 -4.383 21.550 -0.921 1.00 0.00 N ATOM 576 CA GLY B 5 -4.331 20.259 -1.602 1.00 0.00 C ATOM 577 C GLY B 5 -3.788 19.179 -0.673 1.00 0.00 C ATOM 578 O GLY B 5 -3.117 18.243 -1.109 1.00 0.00 O ATOM 0 H GLY B 5 -3.844 21.598 -0.057 1.00 0.00 H new ATOM 0 HA2 GLY B 5 -5.328 19.983 -1.944 1.00 0.00 H new ATOM 0 HA3 GLY B 5 -3.700 20.335 -2.487 1.00 0.00 H new ATOM 582 N MET B 6 -4.087 19.320 0.615 1.00 0.00 N ATOM 583 CA MET B 6 -3.624 18.352 1.606 1.00 0.00 C ATOM 584 C MET B 6 -4.479 17.091 1.560 1.00 0.00 C ATOM 585 O MET B 6 -3.983 15.995 1.297 1.00 0.00 O ATOM 586 CB MET B 6 -3.696 18.949 3.013 1.00 0.00 C ATOM 587 CG MET B 6 -2.816 20.199 3.084 1.00 0.00 C ATOM 588 SD MET B 6 -3.248 21.156 4.560 1.00 0.00 S ATOM 589 CE MET B 6 -2.942 19.848 5.774 1.00 0.00 C ATOM 0 H MET B 6 -4.642 20.087 0.995 1.00 0.00 H new ATOM 0 HA MET B 6 -2.590 18.100 1.370 1.00 0.00 H new ATOM 0 HB2 MET B 6 -4.727 19.203 3.259 1.00 0.00 H new ATOM 0 HB3 MET B 6 -3.364 18.216 3.748 1.00 0.00 H new ATOM 0 HG2 MET B 6 -1.764 19.915 3.116 1.00 0.00 H new ATOM 0 HG3 MET B 6 -2.955 20.806 2.190 1.00 0.00 H new ATOM 0 HE1 MET B 6 -2.659 20.295 6.727 1.00 0.00 H new ATOM 0 HE2 MET B 6 -3.847 19.255 5.906 1.00 0.00 H new ATOM 0 HE3 MET B 6 -2.135 19.206 5.421 1.00 0.00 H new ATOM 599 N ARG B 7 -5.771 17.256 1.822 1.00 0.00 N ATOM 600 CA ARG B 7 -6.694 16.125 1.812 1.00 0.00 C ATOM 601 C ARG B 7 -6.754 15.494 0.424 1.00 0.00 C ATOM 602 O ARG B 7 -6.866 14.278 0.285 1.00 0.00 O ATOM 603 CB ARG B 7 -8.100 16.574 2.216 1.00 0.00 C ATOM 604 CG ARG B 7 -8.991 15.347 2.417 1.00 0.00 C ATOM 605 CD ARG B 7 -10.440 15.794 2.615 1.00 0.00 C ATOM 606 NE ARG B 7 -11.369 14.769 2.129 1.00 0.00 N ATOM 607 CZ ARG B 7 -11.633 14.606 0.825 1.00 0.00 C ATOM 608 NH1 ARG B 7 -11.063 15.362 -0.083 1.00 0.00 N ATOM 609 NH2 ARG B 7 -12.470 13.676 0.454 1.00 0.00 N ATOM 0 H ARG B 7 -6.201 18.154 2.042 1.00 0.00 H new ATOM 0 HA ARG B 7 -6.328 15.390 2.529 1.00 0.00 H new ATOM 0 HB2 ARG B 7 -8.056 17.159 3.135 1.00 0.00 H new ATOM 0 HB3 ARG B 7 -8.522 17.220 1.446 1.00 0.00 H new ATOM 0 HG2 ARG B 7 -8.918 14.686 1.553 1.00 0.00 H new ATOM 0 HG3 ARG B 7 -8.654 14.778 3.283 1.00 0.00 H new ATOM 0 HD2 ARG B 7 -10.625 15.988 3.672 1.00 0.00 H new ATOM 0 HD3 ARG B 7 -10.613 16.730 2.084 1.00 0.00 H new ATOM 0 HE ARG B 7 -11.829 14.160 2.805 1.00 0.00 H new ATOM 0 HH11 ARG B 7 -10.406 16.089 0.198 1.00 0.00 H new ATOM 0 HH12 ARG B 7 -11.277 15.222 -1.070 1.00 0.00 H new ATOM 0 HH21 ARG B 7 -12.916 13.082 1.154 1.00 0.00 H new ATOM 0 HH22 ARG B 7 -12.679 13.543 -0.536 1.00 0.00 H new ATOM 623 N ARG B 8 -6.682 16.339 -0.603 1.00 0.00 N ATOM 624 CA ARG B 8 -6.732 15.855 -1.981 1.00 0.00 C ATOM 625 C ARG B 8 -5.588 14.882 -2.255 1.00 0.00 C ATOM 626 O ARG B 8 -5.796 13.784 -2.772 1.00 0.00 O ATOM 627 CB ARG B 8 -6.635 17.023 -2.963 1.00 0.00 C ATOM 628 CG ARG B 8 -6.929 16.526 -4.380 1.00 0.00 C ATOM 629 CD ARG B 8 -6.981 17.717 -5.339 1.00 0.00 C ATOM 630 NE ARG B 8 -7.657 17.346 -6.586 1.00 0.00 N ATOM 631 CZ ARG B 8 -7.944 18.249 -7.536 1.00 0.00 C ATOM 632 NH1 ARG B 8 -7.632 19.515 -7.389 1.00 0.00 N ATOM 633 NH2 ARG B 8 -8.549 17.861 -8.625 1.00 0.00 N ATOM 0 H ARG B 8 -6.590 17.351 -0.509 1.00 0.00 H new ATOM 0 HA ARG B 8 -7.683 15.341 -2.117 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -7.343 17.804 -2.686 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -5.640 17.465 -2.921 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -6.158 15.824 -4.697 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -7.877 15.989 -4.399 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -7.506 18.548 -4.868 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -5.970 18.061 -5.556 1.00 0.00 H new ATOM 0 HE ARG B 8 -7.917 16.371 -6.736 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -7.162 19.829 -6.540 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -7.859 20.185 -8.124 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -8.799 16.880 -8.748 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -8.772 18.539 -9.354 1.00 0.00 H new ATOM 647 N LYS B 9 -4.376 15.298 -1.901 1.00 0.00 N ATOM 648 CA LYS B 9 -3.202 14.457 -2.112 1.00 0.00 C ATOM 649 C LYS B 9 -3.194 13.290 -1.129 1.00 0.00 C ATOM 650 O LYS B 9 -2.921 12.150 -1.500 1.00 0.00 O ATOM 651 CB LYS B 9 -1.919 15.272 -1.930 1.00 0.00 C ATOM 652 CG LYS B 9 -1.544 15.939 -3.253 1.00 0.00 C ATOM 653 CD LYS B 9 -0.717 17.196 -2.977 1.00 0.00 C ATOM 654 CE LYS B 9 -0.493 17.957 -4.286 1.00 0.00 C ATOM 655 NZ LYS B 9 -0.440 19.421 -4.005 1.00 0.00 N ATOM 0 H LYS B 9 -4.181 16.202 -1.471 1.00 0.00 H new ATOM 0 HA LYS B 9 -3.246 14.071 -3.131 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -2.063 16.028 -1.158 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -1.109 14.624 -1.595 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -0.975 15.246 -3.873 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -2.445 16.199 -3.809 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -1.232 17.832 -2.257 1.00 0.00 H new ATOM 0 HD3 LYS B 9 0.241 16.924 -2.534 1.00 0.00 H new ATOM 0 HE2 LYS B 9 0.436 17.632 -4.754 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -1.298 17.739 -4.988 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -0.288 19.940 -4.893 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -1.337 19.725 -3.576 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 0.342 19.621 -3.349 1.00 0.00 H new ATOM 669 N ASN B 10 -3.495 13.591 0.131 1.00 0.00 N ATOM 670 CA ASN B 10 -3.519 12.561 1.167 1.00 0.00 C ATOM 671 C ASN B 10 -4.564 11.497 0.842 1.00 0.00 C ATOM 672 O ASN B 10 -4.340 10.304 1.047 1.00 0.00 O ATOM 673 CB ASN B 10 -3.839 13.177 2.530 1.00 0.00 C ATOM 674 CG ASN B 10 -2.551 13.670 3.181 1.00 0.00 C ATOM 675 OD1 ASN B 10 -1.822 12.893 3.798 1.00 0.00 O ATOM 676 ND2 ASN B 10 -2.226 14.931 3.085 1.00 0.00 N ATOM 0 H ASN B 10 -3.724 14.530 0.458 1.00 0.00 H new ATOM 0 HA ASN B 10 -2.532 12.099 1.202 1.00 0.00 H new ATOM 0 HB2 ASN B 10 -4.539 14.004 2.412 1.00 0.00 H new ATOM 0 HB3 ASN B 10 -4.323 12.439 3.170 1.00 0.00 H new ATOM 0 HD21 ASN B 10 -1.369 15.271 3.521 1.00 0.00 H new ATOM 0 HD22 ASN B 10 -2.829 15.576 2.574 1.00 0.00 H new ATOM 683 N ASP B 11 -5.711 11.942 0.334 1.00 0.00 N ATOM 684 CA ASP B 11 -6.786 11.016 -0.015 1.00 0.00 C ATOM 685 C ASP B 11 -6.322 10.047 -1.099 1.00 0.00 C ATOM 686 O ASP B 11 -6.644 8.860 -1.069 1.00 0.00 O ATOM 687 CB ASP B 11 -8.013 11.782 -0.521 1.00 0.00 C ATOM 688 CG ASP B 11 -9.183 10.818 -0.691 1.00 0.00 C ATOM 689 OD1 ASP B 11 -9.621 10.268 0.308 1.00 0.00 O ATOM 690 OD2 ASP B 11 -9.627 10.644 -1.813 1.00 0.00 O ATOM 0 H ASP B 11 -5.919 12.925 0.157 1.00 0.00 H new ATOM 0 HA ASP B 11 -7.054 10.458 0.882 1.00 0.00 H new ATOM 0 HB2 ASP B 11 -8.278 12.571 0.183 1.00 0.00 H new ATOM 0 HB3 ASP B 11 -7.786 12.266 -1.471 1.00 0.00 H new ATOM 695 N THR B 12 -5.556 10.567 -2.053 1.00 0.00 N ATOM 696 CA THR B 12 -5.047 9.740 -3.142 1.00 0.00 C ATOM 697 C THR B 12 -4.123 8.658 -2.593 1.00 0.00 C ATOM 698 O THR B 12 -4.109 7.526 -3.078 1.00 0.00 O ATOM 699 CB THR B 12 -4.274 10.594 -4.151 1.00 0.00 C ATOM 700 OG1 THR B 12 -4.893 11.868 -4.260 1.00 0.00 O ATOM 701 CG2 THR B 12 -4.278 9.903 -5.515 1.00 0.00 C ATOM 0 H THR B 12 -5.276 11.547 -2.095 1.00 0.00 H new ATOM 0 HA THR B 12 -5.898 9.277 -3.642 1.00 0.00 H new ATOM 0 HB THR B 12 -3.245 10.717 -3.813 1.00 0.00 H new ATOM 0 HG1 THR B 12 -4.702 12.394 -3.456 1.00 0.00 H new ATOM 0 HG21 THR B 12 -3.728 10.511 -6.233 1.00 0.00 H new ATOM 0 HG22 THR B 12 -3.804 8.925 -5.429 1.00 0.00 H new ATOM 0 HG23 THR B 12 -5.305 9.779 -5.857 1.00 0.00 H new ATOM 709 N HIS B 13 -3.351 9.022 -1.573 1.00 0.00 N ATOM 710 CA HIS B 13 -2.424 8.078 -0.955 1.00 0.00 C ATOM 711 C HIS B 13 -3.171 7.147 -0.006 1.00 0.00 C ATOM 712 O HIS B 13 -2.912 5.944 0.042 1.00 0.00 O ATOM 713 CB HIS B 13 -1.342 8.822 -0.172 1.00 0.00 C ATOM 714 CG HIS B 13 -0.575 9.719 -1.105 1.00 0.00 C ATOM 715 ND1 HIS B 13 -0.418 11.084 -1.143 1.00 0.00 N flip ATOM 716 CD2 HIS B 13 0.161 9.223 -2.169 1.00 0.00 C flip ATOM 717 CE1 HIS B 13 0.400 11.430 -2.214 1.00 0.00 C flip ATOM 718 NE2 HIS B 13 0.722 10.273 -2.798 1.00 0.00 N flip ATOM 0 H HIS B 13 -3.348 9.955 -1.160 1.00 0.00 H new ATOM 0 HA HIS B 13 -1.958 7.494 -1.749 1.00 0.00 H new ATOM 0 HB2 HIS B 13 -1.795 9.411 0.625 1.00 0.00 H new ATOM 0 HB3 HIS B 13 -0.667 8.110 0.302 1.00 0.00 H new ATOM 0 HD1 HIS B 13 -0.837 11.743 -0.486 1.00 0.00 H new ATOM 0 HD2 HIS B 13 0.266 8.184 -2.444 1.00 0.00 H new ATOM 0 HE1 HIS B 13 0.708 12.422 -2.510 1.00 0.00 H new ATOM 726 N GLN B 14 -4.100 7.722 0.749 1.00 0.00 N ATOM 727 CA GLN B 14 -4.887 6.944 1.701 1.00 0.00 C ATOM 728 C GLN B 14 -5.700 5.878 0.972 1.00 0.00 C ATOM 729 O GLN B 14 -5.777 4.730 1.410 1.00 0.00 O ATOM 730 CB GLN B 14 -5.840 7.855 2.477 1.00 0.00 C ATOM 731 CG GLN B 14 -6.079 7.273 3.872 1.00 0.00 C ATOM 732 CD GLN B 14 -6.282 8.410 4.869 1.00 0.00 C ATOM 733 OE1 GLN B 14 -7.295 9.108 4.827 1.00 0.00 O ATOM 734 NE2 GLN B 14 -5.369 8.639 5.773 1.00 0.00 N ATOM 0 H GLN B 14 -4.326 8.716 0.722 1.00 0.00 H new ATOM 0 HA GLN B 14 -4.198 6.464 2.396 1.00 0.00 H new ATOM 0 HB2 GLN B 14 -5.418 8.857 2.557 1.00 0.00 H new ATOM 0 HB3 GLN B 14 -6.786 7.949 1.943 1.00 0.00 H new ATOM 0 HG2 GLN B 14 -6.954 6.623 3.862 1.00 0.00 H new ATOM 0 HG3 GLN B 14 -5.230 6.659 4.172 1.00 0.00 H new ATOM 0 HE21 GLN B 14 -4.530 8.061 5.808 1.00 0.00 H new ATOM 0 HE22 GLN B 14 -5.495 9.396 6.445 1.00 0.00 H new ATOM 743 N GLN B 15 -6.304 6.271 -0.145 1.00 0.00 N ATOM 744 CA GLN B 15 -7.111 5.341 -0.931 1.00 0.00 C ATOM 745 C GLN B 15 -6.248 4.193 -1.445 1.00 0.00 C ATOM 746 O GLN B 15 -6.558 3.022 -1.231 1.00 0.00 O ATOM 747 CB GLN B 15 -7.748 6.058 -2.123 1.00 0.00 C ATOM 748 CG GLN B 15 -8.857 5.183 -2.711 1.00 0.00 C ATOM 749 CD GLN B 15 -10.174 5.488 -2.005 1.00 0.00 C ATOM 750 OE1 GLN B 15 -10.274 5.371 -0.784 1.00 0.00 O ATOM 751 NE2 GLN B 15 -11.203 5.876 -2.709 1.00 0.00 N ATOM 0 H GLN B 15 -6.252 7.216 -0.524 1.00 0.00 H new ATOM 0 HA GLN B 15 -7.895 4.947 -0.285 1.00 0.00 H new ATOM 0 HB2 GLN B 15 -8.156 7.018 -1.808 1.00 0.00 H new ATOM 0 HB3 GLN B 15 -6.993 6.266 -2.882 1.00 0.00 H new ATOM 0 HG2 GLN B 15 -8.954 5.370 -3.780 1.00 0.00 H new ATOM 0 HG3 GLN B 15 -8.604 4.129 -2.593 1.00 0.00 H new ATOM 0 HE21 GLN B 15 -11.121 5.973 -3.721 1.00 0.00 H new ATOM 0 HE22 GLN B 15 -12.089 6.082 -2.247 1.00 0.00 H new ATOM 760 N ASP B 16 -5.156 4.543 -2.123 1.00 0.00 N ATOM 761 CA ASP B 16 -4.248 3.532 -2.663 1.00 0.00 C ATOM 762 C ASP B 16 -3.678 2.675 -1.535 1.00 0.00 C ATOM 763 O ASP B 16 -3.557 1.458 -1.659 1.00 0.00 O ATOM 764 CB ASP B 16 -3.095 4.195 -3.417 1.00 0.00 C ATOM 765 CG ASP B 16 -2.624 3.274 -4.539 1.00 0.00 C ATOM 766 OD1 ASP B 16 -3.217 3.321 -5.605 1.00 0.00 O ATOM 767 OD2 ASP B 16 -1.679 2.537 -4.316 1.00 0.00 O ATOM 0 H ASP B 16 -4.880 5.507 -2.310 1.00 0.00 H new ATOM 0 HA ASP B 16 -4.814 2.902 -3.350 1.00 0.00 H new ATOM 0 HB2 ASP B 16 -3.418 5.151 -3.829 1.00 0.00 H new ATOM 0 HB3 ASP B 16 -2.272 4.404 -2.734 1.00 0.00 H new ATOM 772 N ILE B 17 -3.336 3.333 -0.432 1.00 0.00 N ATOM 773 CA ILE B 17 -2.785 2.631 0.725 1.00 0.00 C ATOM 774 C ILE B 17 -3.816 1.648 1.279 1.00 0.00 C ATOM 775 O ILE B 17 -3.688 0.433 1.129 1.00 0.00 O ATOM 776 CB ILE B 17 -2.382 3.654 1.819 1.00 0.00 C ATOM 777 CG1 ILE B 17 -1.014 4.266 1.472 1.00 0.00 C ATOM 778 CG2 ILE B 17 -2.313 2.997 3.216 1.00 0.00 C ATOM 779 CD1 ILE B 17 0.067 3.179 1.435 1.00 0.00 C ATOM 0 H ILE B 17 -3.429 4.342 -0.314 1.00 0.00 H new ATOM 0 HA ILE B 17 -1.899 2.075 0.416 1.00 0.00 H new ATOM 0 HB ILE B 17 -3.145 4.432 1.849 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -1.068 4.767 0.505 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -0.751 5.024 2.210 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -2.028 3.745 3.956 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -3.289 2.586 3.473 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -1.573 2.196 3.205 1.00 0.00 H new ATOM 0 HD11 ILE B 17 1.028 3.630 1.188 1.00 0.00 H new ATOM 0 HD12 ILE B 17 0.132 2.697 2.411 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -0.190 2.436 0.680 1.00 0.00 H new ATOM 791 N ASP B 18 -4.821 2.202 1.955 1.00 0.00 N ATOM 792 CA ASP B 18 -5.868 1.394 2.579 1.00 0.00 C ATOM 793 C ASP B 18 -6.384 0.299 1.637 1.00 0.00 C ATOM 794 O ASP B 18 -6.813 -0.765 2.079 1.00 0.00 O ATOM 795 CB ASP B 18 -7.041 2.286 3.000 1.00 0.00 C ATOM 796 CG ASP B 18 -6.874 2.702 4.458 1.00 0.00 C ATOM 797 OD1 ASP B 18 -6.513 1.853 5.258 1.00 0.00 O ATOM 798 OD2 ASP B 18 -7.108 3.861 4.754 1.00 0.00 O ATOM 0 H ASP B 18 -4.933 3.208 2.085 1.00 0.00 H new ATOM 0 HA ASP B 18 -5.428 0.914 3.453 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -7.086 3.169 2.363 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -7.982 1.751 2.870 1.00 0.00 H new ATOM 803 N ASP B 19 -6.332 0.576 0.337 1.00 0.00 N ATOM 804 CA ASP B 19 -6.793 -0.393 -0.655 1.00 0.00 C ATOM 805 C ASP B 19 -5.787 -1.533 -0.786 1.00 0.00 C ATOM 806 O ASP B 19 -6.163 -2.696 -0.939 1.00 0.00 O ATOM 807 CB ASP B 19 -6.972 0.278 -2.020 1.00 0.00 C ATOM 808 CG ASP B 19 -7.639 -0.698 -2.983 1.00 0.00 C ATOM 809 OD1 ASP B 19 -8.857 -0.771 -2.973 1.00 0.00 O ATOM 810 OD2 ASP B 19 -6.922 -1.356 -3.719 1.00 0.00 O ATOM 0 H ASP B 19 -5.980 1.451 -0.051 1.00 0.00 H new ATOM 0 HA ASP B 19 -7.752 -0.789 -0.321 1.00 0.00 H new ATOM 0 HB2 ASP B 19 -7.579 1.177 -1.918 1.00 0.00 H new ATOM 0 HB3 ASP B 19 -6.005 0.590 -2.414 1.00 0.00 H new ATOM 815 N LEU B 20 -4.506 -1.185 -0.720 1.00 0.00 N ATOM 816 CA LEU B 20 -3.447 -2.185 -0.830 1.00 0.00 C ATOM 817 C LEU B 20 -3.482 -3.127 0.370 1.00 0.00 C ATOM 818 O LEU B 20 -3.310 -4.339 0.232 1.00 0.00 O ATOM 819 CB LEU B 20 -2.076 -1.509 -0.892 1.00 0.00 C ATOM 820 CG LEU B 20 -1.866 -0.905 -2.281 1.00 0.00 C ATOM 821 CD1 LEU B 20 -0.728 0.115 -2.228 1.00 0.00 C ATOM 822 CD2 LEU B 20 -1.505 -2.017 -3.269 1.00 0.00 C ATOM 0 H LEU B 20 -4.177 -0.228 -0.592 1.00 0.00 H new ATOM 0 HA LEU B 20 -3.612 -2.753 -1.746 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -2.008 -0.731 -0.132 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -1.291 -2.234 -0.677 1.00 0.00 H new ATOM 0 HG LEU B 20 -2.782 -0.411 -2.604 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -0.579 0.545 -3.218 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -0.981 0.907 -1.523 1.00 0.00 H new ATOM 0 HD13 LEU B 20 0.188 -0.379 -1.905 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -1.355 -1.589 -4.260 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -0.588 -2.509 -2.944 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -2.314 -2.746 -3.308 1.00 0.00 H new ATOM 834 N LYS B 21 -3.705 -2.555 1.549 1.00 0.00 N ATOM 835 CA LYS B 21 -3.761 -3.349 2.773 1.00 0.00 C ATOM 836 C LYS B 21 -4.921 -4.337 2.715 1.00 0.00 C ATOM 837 O LYS B 21 -4.794 -5.493 3.120 1.00 0.00 O ATOM 838 CB LYS B 21 -3.939 -2.441 3.992 1.00 0.00 C ATOM 839 CG LYS B 21 -2.573 -1.913 4.448 1.00 0.00 C ATOM 840 CD LYS B 21 -2.069 -2.737 5.639 1.00 0.00 C ATOM 841 CE LYS B 21 -1.060 -3.780 5.153 1.00 0.00 C ATOM 842 NZ LYS B 21 -1.089 -4.960 6.064 1.00 0.00 N ATOM 0 H LYS B 21 -3.849 -1.554 1.683 1.00 0.00 H new ATOM 0 HA LYS B 21 -2.823 -3.896 2.862 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -4.597 -1.608 3.744 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -4.415 -2.993 4.802 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -1.859 -1.969 3.627 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -2.654 -0.863 4.729 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -1.604 -2.082 6.376 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -2.906 -3.229 6.134 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -1.300 -4.087 4.135 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -0.059 -3.350 5.129 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -0.404 -5.670 5.735 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -0.841 -4.660 7.028 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -2.043 -5.374 6.065 1.00 0.00 H new ATOM 856 N ARG B 22 -6.057 -3.867 2.206 1.00 0.00 N ATOM 857 CA ARG B 22 -7.240 -4.714 2.096 1.00 0.00 C ATOM 858 C ARG B 22 -6.964 -5.901 1.178 1.00 0.00 C ATOM 859 O ARG B 22 -7.466 -7.004 1.396 1.00 0.00 O ATOM 860 CB ARG B 22 -8.419 -3.915 1.538 1.00 0.00 C ATOM 861 CG ARG B 22 -9.078 -3.119 2.664 1.00 0.00 C ATOM 862 CD ARG B 22 -10.581 -3.013 2.403 1.00 0.00 C ATOM 863 NE ARG B 22 -11.109 -1.750 2.927 1.00 0.00 N ATOM 864 CZ ARG B 22 -11.219 -1.513 4.241 1.00 0.00 C ATOM 865 NH1 ARG B 22 -10.853 -2.409 5.127 1.00 0.00 N ATOM 866 NH2 ARG B 22 -11.697 -0.369 4.648 1.00 0.00 N ATOM 0 H ARG B 22 -6.183 -2.913 1.866 1.00 0.00 H new ATOM 0 HA ARG B 22 -7.487 -5.078 3.093 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -8.075 -3.240 0.755 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -9.145 -4.589 1.082 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -8.898 -3.607 3.622 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -8.638 -2.124 2.726 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -10.775 -3.078 1.332 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -11.097 -3.851 2.872 1.00 0.00 H new ATOM 0 HE ARG B 22 -11.402 -1.028 2.269 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -10.476 -3.306 4.820 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -10.945 -2.209 6.123 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -11.983 0.335 3.968 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -11.785 -0.179 5.646 1.00 0.00 H new ATOM 880 N GLN B 23 -6.158 -5.660 0.150 1.00 0.00 N ATOM 881 CA GLN B 23 -5.816 -6.713 -0.803 1.00 0.00 C ATOM 882 C GLN B 23 -4.760 -7.643 -0.212 1.00 0.00 C ATOM 883 O GLN B 23 -4.912 -8.866 -0.223 1.00 0.00 O ATOM 884 CB GLN B 23 -5.276 -6.109 -2.099 1.00 0.00 C ATOM 885 CG GLN B 23 -6.440 -5.796 -3.043 1.00 0.00 C ATOM 886 CD GLN B 23 -6.856 -7.068 -3.774 1.00 0.00 C ATOM 887 OE1 GLN B 23 -8.020 -7.466 -3.727 1.00 0.00 O ATOM 888 NE2 GLN B 23 -5.966 -7.736 -4.454 1.00 0.00 N ATOM 0 H GLN B 23 -5.732 -4.754 -0.045 1.00 0.00 H new ATOM 0 HA GLN B 23 -6.722 -7.279 -1.017 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -4.715 -5.200 -1.882 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -4.585 -6.804 -2.576 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -7.282 -5.396 -2.479 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -6.145 -5.031 -3.761 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -5.001 -7.407 -4.493 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -6.234 -8.588 -4.947 1.00 0.00 H new ATOM 897 N ASN B 24 -3.688 -7.049 0.302 1.00 0.00 N ATOM 898 CA ASN B 24 -2.606 -7.829 0.896 1.00 0.00 C ATOM 899 C ASN B 24 -3.114 -8.630 2.090 1.00 0.00 C ATOM 900 O ASN B 24 -2.707 -9.770 2.310 1.00 0.00 O ATOM 901 CB ASN B 24 -1.476 -6.909 1.359 1.00 0.00 C ATOM 902 CG ASN B 24 -0.941 -6.114 0.170 1.00 0.00 C ATOM 903 OD1 ASN B 24 -1.636 -5.938 -0.831 1.00 0.00 O ATOM 904 ND2 ASN B 24 0.264 -5.619 0.222 1.00 0.00 N ATOM 0 H ASN B 24 -3.545 -6.039 0.320 1.00 0.00 H new ATOM 0 HA ASN B 24 -2.231 -8.513 0.135 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -1.840 -6.229 2.129 1.00 0.00 H new ATOM 0 HB3 ASN B 24 -0.675 -7.497 1.806 1.00 0.00 H new ATOM 0 HD21 ASN B 24 0.631 -5.086 -0.566 1.00 0.00 H new ATOM 0 HD22 ASN B 24 0.840 -5.765 1.051 1.00 0.00 H new ATOM 911 N ALA B 25 -4.013 -8.020 2.859 1.00 0.00 N ATOM 912 CA ALA B 25 -4.575 -8.684 4.032 1.00 0.00 C ATOM 913 C ALA B 25 -5.328 -9.947 3.624 1.00 0.00 C ATOM 914 O ALA B 25 -5.084 -11.031 4.153 1.00 0.00 O ATOM 915 CB ALA B 25 -5.537 -7.748 4.767 1.00 0.00 C ATOM 0 H ALA B 25 -4.365 -7.077 2.694 1.00 0.00 H new ATOM 0 HA ALA B 25 -3.750 -8.951 4.692 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -5.947 -8.259 5.638 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -5.001 -6.855 5.088 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -6.349 -7.463 4.098 1.00 0.00 H new ATOM 921 N LEU B 26 -6.245 -9.793 2.674 1.00 0.00 N ATOM 922 CA LEU B 26 -7.031 -10.928 2.196 1.00 0.00 C ATOM 923 C LEU B 26 -6.156 -11.887 1.395 1.00 0.00 C ATOM 924 O LEU B 26 -6.392 -13.095 1.375 1.00 0.00 O ATOM 925 CB LEU B 26 -8.183 -10.445 1.310 1.00 0.00 C ATOM 926 CG LEU B 26 -9.259 -9.795 2.180 1.00 0.00 C ATOM 927 CD1 LEU B 26 -10.213 -8.991 1.297 1.00 0.00 C ATOM 928 CD2 LEU B 26 -10.043 -10.883 2.918 1.00 0.00 C ATOM 0 H LEU B 26 -6.462 -8.904 2.223 1.00 0.00 H new ATOM 0 HA LEU B 26 -7.434 -11.447 3.066 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -7.815 -9.730 0.574 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -8.606 -11.283 0.756 1.00 0.00 H new ATOM 0 HG LEU B 26 -8.788 -9.130 2.904 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -10.980 -8.528 1.918 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -9.656 -8.216 0.770 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -10.685 -9.655 0.572 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -10.811 -10.421 3.539 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -10.514 -11.547 2.193 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -9.364 -11.457 3.548 1.00 0.00 H new ATOM 940 N LEU B 27 -5.141 -11.336 0.731 1.00 0.00 N ATOM 941 CA LEU B 27 -4.235 -12.153 -0.071 1.00 0.00 C ATOM 942 C LEU B 27 -3.521 -13.182 0.802 1.00 0.00 C ATOM 943 O LEU B 27 -3.697 -14.388 0.634 1.00 0.00 O ATOM 944 CB LEU B 27 -3.190 -11.273 -0.758 1.00 0.00 C ATOM 945 CG LEU B 27 -3.729 -10.796 -2.107 1.00 0.00 C ATOM 946 CD1 LEU B 27 -2.973 -9.541 -2.546 1.00 0.00 C ATOM 947 CD2 LEU B 27 -3.538 -11.896 -3.151 1.00 0.00 C ATOM 0 H LEU B 27 -4.928 -10.339 0.732 1.00 0.00 H new ATOM 0 HA LEU B 27 -4.830 -12.670 -0.824 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -2.950 -10.417 -0.128 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -2.266 -11.833 -0.901 1.00 0.00 H new ATOM 0 HG LEU B 27 -4.790 -10.566 -2.011 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -3.358 -9.202 -3.508 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -3.110 -8.755 -1.803 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -1.912 -9.770 -2.641 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -3.922 -11.556 -4.113 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -2.477 -12.128 -3.246 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -4.078 -12.790 -2.840 1.00 0.00 H new ATOM 959 N GLU B 28 -2.711 -12.688 1.738 1.00 0.00 N ATOM 960 CA GLU B 28 -1.967 -13.561 2.638 1.00 0.00 C ATOM 961 C GLU B 28 -2.907 -14.495 3.398 1.00 0.00 C ATOM 962 O GLU B 28 -2.548 -15.625 3.732 1.00 0.00 O ATOM 963 CB GLU B 28 -1.175 -12.718 3.638 1.00 0.00 C ATOM 964 CG GLU B 28 -2.126 -11.810 4.425 1.00 0.00 C ATOM 965 CD GLU B 28 -1.352 -10.618 4.977 1.00 0.00 C ATOM 966 OE1 GLU B 28 -1.110 -9.691 4.220 1.00 0.00 O ATOM 967 OE2 GLU B 28 -1.012 -10.648 6.148 1.00 0.00 O ATOM 0 H GLU B 28 -2.555 -11.692 1.891 1.00 0.00 H new ATOM 0 HA GLU B 28 -1.286 -14.165 2.039 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -0.629 -13.368 4.322 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -0.435 -12.115 3.112 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -2.934 -11.465 3.779 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -2.586 -12.368 5.241 1.00 0.00 H new ATOM 974 N GLN B 29 -4.116 -14.009 3.665 1.00 0.00 N ATOM 975 CA GLN B 29 -5.108 -14.806 4.386 1.00 0.00 C ATOM 976 C GLN B 29 -5.425 -16.086 3.617 1.00 0.00 C ATOM 977 O GLN B 29 -5.712 -17.128 4.208 1.00 0.00 O ATOM 978 CB GLN B 29 -6.398 -14.008 4.579 1.00 0.00 C ATOM 979 CG GLN B 29 -7.135 -14.521 5.818 1.00 0.00 C ATOM 980 CD GLN B 29 -6.454 -13.986 7.074 1.00 0.00 C ATOM 981 OE1 GLN B 29 -5.253 -13.717 7.070 1.00 0.00 O ATOM 982 NE2 GLN B 29 -7.158 -13.813 8.159 1.00 0.00 N ATOM 0 H GLN B 29 -4.432 -13.077 3.397 1.00 0.00 H new ATOM 0 HA GLN B 29 -4.691 -15.061 5.360 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -6.169 -12.948 4.692 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -7.033 -14.105 3.699 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -8.177 -14.202 5.792 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -7.136 -15.611 5.828 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -8.153 -14.036 8.162 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -6.713 -13.455 9.004 1.00 0.00 H new ATOM 991 N GLN B 30 -5.367 -15.995 2.291 1.00 0.00 N ATOM 992 CA GLN B 30 -5.647 -17.152 1.444 1.00 0.00 C ATOM 993 C GLN B 30 -4.383 -17.980 1.244 1.00 0.00 C ATOM 994 O GLN B 30 -4.436 -19.206 1.136 1.00 0.00 O ATOM 995 CB GLN B 30 -6.172 -16.703 0.079 1.00 0.00 C ATOM 996 CG GLN B 30 -7.632 -16.268 0.211 1.00 0.00 C ATOM 997 CD GLN B 30 -8.543 -17.474 0.019 1.00 0.00 C ATOM 998 OE1 GLN B 30 -8.850 -18.187 0.976 1.00 0.00 O ATOM 999 NE2 GLN B 30 -8.999 -17.751 -1.172 1.00 0.00 N ATOM 0 H GLN B 30 -5.131 -15.142 1.784 1.00 0.00 H new ATOM 0 HA GLN B 30 -6.405 -17.758 1.940 1.00 0.00 H new ATOM 0 HB2 GLN B 30 -5.569 -15.878 -0.301 1.00 0.00 H new ATOM 0 HB3 GLN B 30 -6.088 -17.517 -0.641 1.00 0.00 H new ATOM 0 HG2 GLN B 30 -7.802 -15.823 1.191 1.00 0.00 H new ATOM 0 HG3 GLN B 30 -7.863 -15.503 -0.531 1.00 0.00 H new ATOM 0 HE21 GLN B 30 -8.746 -17.162 -1.965 1.00 0.00 H new ATOM 0 HE22 GLN B 30 -9.609 -18.557 -1.310 1.00 0.00 H new ATOM 1008 N VAL B 31 -3.243 -17.295 1.196 1.00 0.00 N ATOM 1009 CA VAL B 31 -1.963 -17.976 1.009 1.00 0.00 C ATOM 1010 C VAL B 31 -1.689 -18.921 2.175 1.00 0.00 C ATOM 1011 O VAL B 31 -1.098 -19.987 2.002 1.00 0.00 O ATOM 1012 CB VAL B 31 -0.824 -16.955 0.912 1.00 0.00 C ATOM 1013 CG1 VAL B 31 0.477 -17.671 0.545 1.00 0.00 C ATOM 1014 CG2 VAL B 31 -1.156 -15.918 -0.167 1.00 0.00 C ATOM 0 H VAL B 31 -3.178 -16.281 1.283 1.00 0.00 H new ATOM 0 HA VAL B 31 -2.016 -18.549 0.083 1.00 0.00 H new ATOM 0 HB VAL B 31 -0.705 -16.455 1.873 1.00 0.00 H new ATOM 0 HG11 VAL B 31 1.286 -16.944 0.476 1.00 0.00 H new ATOM 0 HG12 VAL B 31 0.716 -18.408 1.312 1.00 0.00 H new ATOM 0 HG13 VAL B 31 0.358 -18.173 -0.415 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -0.346 -15.192 -0.236 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -1.277 -16.419 -1.128 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -2.082 -15.405 0.094 1.00 0.00 H new ATOM 1024 N ARG B 32 -2.126 -18.518 3.364 1.00 0.00 N ATOM 1025 CA ARG B 32 -1.924 -19.335 4.559 1.00 0.00 C ATOM 1026 C ARG B 32 -2.621 -20.685 4.410 1.00 0.00 C ATOM 1027 O ARG B 32 -2.145 -21.704 4.910 1.00 0.00 O ATOM 1028 CB ARG B 32 -2.477 -18.622 5.794 1.00 0.00 C ATOM 1029 CG ARG B 32 -1.654 -19.016 7.023 1.00 0.00 C ATOM 1030 CD ARG B 32 -0.548 -17.983 7.249 1.00 0.00 C ATOM 1031 NE ARG B 32 0.606 -18.598 7.910 1.00 0.00 N ATOM 1032 CZ ARG B 32 1.559 -17.868 8.505 1.00 0.00 C ATOM 1033 NH1 ARG B 32 1.501 -16.557 8.521 1.00 0.00 N ATOM 1034 NH2 ARG B 32 2.564 -18.471 9.078 1.00 0.00 N ATOM 0 H ARG B 32 -2.618 -17.639 3.527 1.00 0.00 H new ATOM 0 HA ARG B 32 -0.852 -19.493 4.680 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -2.441 -17.542 5.650 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -3.523 -18.889 5.943 1.00 0.00 H new ATOM 0 HG2 ARG B 32 -2.297 -19.074 7.901 1.00 0.00 H new ATOM 0 HG3 ARG B 32 -1.219 -20.005 6.881 1.00 0.00 H new ATOM 0 HD2 ARG B 32 -0.242 -17.556 6.294 1.00 0.00 H new ATOM 0 HD3 ARG B 32 -0.928 -17.163 7.858 1.00 0.00 H new ATOM 0 HE ARG B 32 0.686 -19.615 7.917 1.00 0.00 H new ATOM 0 HH11 ARG B 32 0.720 -16.076 8.075 1.00 0.00 H new ATOM 0 HH12 ARG B 32 2.237 -16.020 8.979 1.00 0.00 H new ATOM 0 HH21 ARG B 32 2.619 -19.489 9.070 1.00 0.00 H new ATOM 0 HH22 ARG B 32 3.295 -17.924 9.534 1.00 0.00 H new ATOM 1048 N ALA B 33 -3.756 -20.678 3.718 1.00 0.00 N ATOM 1049 CA ALA B 33 -4.515 -21.907 3.507 1.00 0.00 C ATOM 1050 C ALA B 33 -3.777 -22.831 2.543 1.00 0.00 C ATOM 1051 O ALA B 33 -3.627 -24.026 2.796 1.00 0.00 O ATOM 1052 CB ALA B 33 -5.899 -21.593 2.935 1.00 0.00 C ATOM 0 H ALA B 33 -4.168 -19.845 3.298 1.00 0.00 H new ATOM 0 HA ALA B 33 -4.626 -22.402 4.472 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -6.450 -22.522 2.785 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -6.445 -20.956 3.631 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -5.790 -21.077 1.981 1.00 0.00 H new ATOM 1058 N LEU B 34 -3.317 -22.261 1.432 1.00 0.00 N ATOM 1059 CA LEU B 34 -2.593 -23.039 0.432 1.00 0.00 C ATOM 1060 C LEU B 34 -1.102 -23.066 0.754 1.00 0.00 C ATOM 1061 O LEU B 34 -0.673 -22.572 1.798 1.00 0.00 O ATOM 1062 CB LEU B 34 -2.791 -22.439 -0.961 1.00 0.00 C ATOM 1063 CG LEU B 34 -4.033 -23.052 -1.610 1.00 0.00 C ATOM 1064 CD1 LEU B 34 -4.477 -22.183 -2.787 1.00 0.00 C ATOM 1065 CD2 LEU B 34 -3.701 -24.458 -2.114 1.00 0.00 C ATOM 0 H LEU B 34 -3.431 -21.274 1.203 1.00 0.00 H new ATOM 0 HA LEU B 34 -2.987 -24.055 0.448 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -2.902 -21.357 -0.890 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -1.913 -22.630 -1.579 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.837 -23.107 -0.876 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -5.362 -22.621 -3.249 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -4.712 -21.180 -2.431 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -3.674 -22.128 -3.522 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -4.585 -24.897 -2.577 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -2.897 -24.401 -2.848 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -3.384 -25.079 -1.276 1.00 0.00 H new HETATM 1077 N NH2 B 35 -0.276 -23.620 -0.090 1.00 0.00 N TER 1080 NH2 B 35