USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=7 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=-0.013) USER MOD Single : A 11 GLN : amide:sc= -0.143 K(o=-0.14,f=-1.9!) USER MOD Single : A 12 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0192) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -159:sc= -0.0716 (180deg=-0.526) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HE2:sc= -2.78 K(o=-2.8,f=-3.8!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : B 6 MET CE :methyl -128:sc= -0.16 (180deg=-0.495) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 ASN : amide:sc= -0.389 K(o=-0.39,f=-4.6!) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 13 HIS :FLIP no HD1:sc= -2.55 F(o=-3.9,f=-2.5) USER MOD Single : B 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 15 GLN : amide:sc= -0.063 X(o=-0.063,f=0) USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 GLN : amide:sc= -0.277 X(o=-0.28,f=0) USER MOD Single : B 24 ASN : amide:sc= -2.17 K(o=-2.2,f=-8.8!) USER MOD Single : B 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 30 GLN : amide:sc= -1.69 X(o=-1.7,f=-2.2!) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 2 4.675 25.640 1.999 1.00 0.00 C HETATM 2 O ACE A 2 3.833 26.429 2.425 1.00 0.00 O HETATM 3 CH3 ACE A 2 5.775 26.096 1.047 1.00 0.00 C HETATM 0 H1 ACE A 2 6.749 25.911 1.501 1.00 0.00 H new HETATM 0 H2 ACE A 2 5.699 25.542 0.112 1.00 0.00 H new HETATM 0 H3 ACE A 2 5.664 27.162 0.847 1.00 0.00 H new ATOM 7 N CYS A 3 4.695 24.352 2.332 1.00 0.00 N ATOM 8 CA CYS A 3 3.695 23.792 3.237 1.00 0.00 C ATOM 9 C CYS A 3 4.273 23.641 4.640 1.00 0.00 C ATOM 10 O CYS A 3 3.810 24.273 5.589 1.00 0.00 O ATOM 11 CB CYS A 3 3.226 22.424 2.740 1.00 0.00 C ATOM 12 SG CYS A 3 1.903 22.644 1.524 1.00 0.00 S ATOM 0 H CYS A 3 5.385 23.682 1.993 1.00 0.00 H new ATOM 0 HA CYS A 3 2.847 24.476 3.265 1.00 0.00 H new ATOM 0 HB2 CYS A 3 4.059 21.883 2.292 1.00 0.00 H new ATOM 0 HB3 CYS A 3 2.869 21.824 3.577 1.00 0.00 H new ATOM 17 N GLY A 4 5.291 22.793 4.758 1.00 0.00 N ATOM 18 CA GLY A 4 5.930 22.561 6.051 1.00 0.00 C ATOM 19 C GLY A 4 5.120 21.575 6.883 1.00 0.00 C ATOM 20 O GLY A 4 4.198 21.957 7.603 1.00 0.00 O ATOM 0 H GLY A 4 5.688 22.260 3.984 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.938 22.175 5.900 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.027 23.504 6.589 1.00 0.00 H new ATOM 24 N GLY A 5 5.474 20.298 6.777 1.00 0.00 N ATOM 25 CA GLY A 5 4.776 19.258 7.525 1.00 0.00 C ATOM 26 C GLY A 5 3.932 18.396 6.593 1.00 0.00 C ATOM 27 O GLY A 5 3.921 17.168 6.697 1.00 0.00 O ATOM 0 H GLY A 5 6.233 19.960 6.186 1.00 0.00 H new ATOM 0 HA2 GLY A 5 5.499 18.634 8.050 1.00 0.00 H new ATOM 0 HA3 GLY A 5 4.139 19.714 8.283 1.00 0.00 H new ATOM 31 N VAL A 6 3.226 19.053 5.676 1.00 0.00 N ATOM 32 CA VAL A 6 2.381 18.338 4.723 1.00 0.00 C ATOM 33 C VAL A 6 3.241 17.581 3.717 1.00 0.00 C ATOM 34 O VAL A 6 2.886 16.490 3.271 1.00 0.00 O ATOM 35 CB VAL A 6 1.473 19.317 3.972 1.00 0.00 C ATOM 36 CG1 VAL A 6 0.469 18.533 3.123 1.00 0.00 C ATOM 37 CG2 VAL A 6 0.717 20.188 4.976 1.00 0.00 C ATOM 0 H VAL A 6 3.221 20.068 5.573 1.00 0.00 H new ATOM 0 HA VAL A 6 1.766 17.631 5.280 1.00 0.00 H new ATOM 0 HB VAL A 6 2.081 19.951 3.326 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.177 19.229 2.588 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.006 17.912 2.406 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.137 17.899 3.770 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.071 20.884 4.440 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.110 19.554 5.623 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.430 20.747 5.582 1.00 0.00 H new ATOM 47 N GLN A 7 4.378 18.174 3.364 1.00 0.00 N ATOM 48 CA GLN A 7 5.288 17.550 2.407 1.00 0.00 C ATOM 49 C GLN A 7 5.911 16.294 3.008 1.00 0.00 C ATOM 50 O GLN A 7 6.162 15.311 2.310 1.00 0.00 O ATOM 51 CB GLN A 7 6.403 18.520 2.016 1.00 0.00 C ATOM 52 CG GLN A 7 7.064 18.045 0.721 1.00 0.00 C ATOM 53 CD GLN A 7 8.529 18.464 0.711 1.00 0.00 C ATOM 54 OE1 GLN A 7 8.852 19.618 0.995 1.00 0.00 O ATOM 55 NE2 GLN A 7 9.444 17.590 0.398 1.00 0.00 N ATOM 0 H GLN A 7 4.690 19.077 3.722 1.00 0.00 H new ATOM 0 HA GLN A 7 4.713 17.284 1.520 1.00 0.00 H new ATOM 0 HB2 GLN A 7 5.997 19.523 1.882 1.00 0.00 H new ATOM 0 HB3 GLN A 7 7.143 18.580 2.814 1.00 0.00 H new ATOM 0 HG2 GLN A 7 6.985 16.961 0.637 1.00 0.00 H new ATOM 0 HG3 GLN A 7 6.548 18.470 -0.140 1.00 0.00 H new ATOM 0 HE21 GLN A 7 9.177 16.634 0.163 1.00 0.00 H new ATOM 0 HE22 GLN A 7 10.427 17.862 0.388 1.00 0.00 H new ATOM 64 N ALA A 8 6.156 16.337 4.315 1.00 0.00 N ATOM 65 CA ALA A 8 6.751 15.198 5.007 1.00 0.00 C ATOM 66 C ALA A 8 5.760 14.039 5.072 1.00 0.00 C ATOM 67 O ALA A 8 6.127 12.878 4.892 1.00 0.00 O ATOM 68 CB ALA A 8 7.156 15.585 6.430 1.00 0.00 C ATOM 0 H ALA A 8 5.954 17.140 4.911 1.00 0.00 H new ATOM 0 HA ALA A 8 7.636 14.892 4.449 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.598 14.723 6.930 1.00 0.00 H new ATOM 0 HB2 ALA A 8 7.884 16.395 6.393 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.275 15.913 6.982 1.00 0.00 H new ATOM 74 N GLU A 9 4.497 14.371 5.332 1.00 0.00 N ATOM 75 CA GLU A 9 3.456 13.352 5.419 1.00 0.00 C ATOM 76 C GLU A 9 3.099 12.834 4.030 1.00 0.00 C ATOM 77 O GLU A 9 2.770 11.661 3.853 1.00 0.00 O ATOM 78 CB GLU A 9 2.198 13.927 6.073 1.00 0.00 C ATOM 79 CG GLU A 9 2.540 14.443 7.472 1.00 0.00 C ATOM 80 CD GLU A 9 1.423 15.356 7.966 1.00 0.00 C ATOM 81 OE1 GLU A 9 0.356 14.844 8.266 1.00 0.00 O ATOM 82 OE2 GLU A 9 1.650 16.552 8.037 1.00 0.00 O ATOM 0 H GLU A 9 4.173 15.326 5.484 1.00 0.00 H new ATOM 0 HA GLU A 9 3.839 12.532 6.026 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.796 14.736 5.464 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.425 13.161 6.135 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.670 13.606 8.158 1.00 0.00 H new ATOM 0 HG3 GLU A 9 3.485 14.986 7.450 1.00 0.00 H new ATOM 89 N GLU A 10 3.170 13.725 3.044 1.00 0.00 N ATOM 90 CA GLU A 10 2.852 13.350 1.669 1.00 0.00 C ATOM 91 C GLU A 10 3.851 12.321 1.152 1.00 0.00 C ATOM 92 O GLU A 10 3.472 11.276 0.623 1.00 0.00 O ATOM 93 CB GLU A 10 2.888 14.579 0.757 1.00 0.00 C ATOM 94 CG GLU A 10 2.316 14.215 -0.614 1.00 0.00 C ATOM 95 CD GLU A 10 2.928 15.119 -1.678 1.00 0.00 C ATOM 96 OE1 GLU A 10 3.082 16.299 -1.408 1.00 0.00 O ATOM 97 OE2 GLU A 10 3.238 14.617 -2.746 1.00 0.00 O ATOM 0 H GLU A 10 3.442 14.700 3.169 1.00 0.00 H new ATOM 0 HA GLU A 10 1.850 12.920 1.661 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.310 15.390 1.200 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.912 14.937 0.652 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.529 13.171 -0.843 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.232 14.325 -0.608 1.00 0.00 H new ATOM 104 N GLN A 11 5.136 12.628 1.314 1.00 0.00 N ATOM 105 CA GLN A 11 6.187 11.722 0.860 1.00 0.00 C ATOM 106 C GLN A 11 6.105 10.392 1.605 1.00 0.00 C ATOM 107 O GLN A 11 6.419 9.337 1.056 1.00 0.00 O ATOM 108 CB GLN A 11 7.567 12.340 1.097 1.00 0.00 C ATOM 109 CG GLN A 11 8.623 11.545 0.327 1.00 0.00 C ATOM 110 CD GLN A 11 10.001 11.824 0.919 1.00 0.00 C ATOM 111 OE1 GLN A 11 10.126 12.106 2.110 1.00 0.00 O ATOM 112 NE2 GLN A 11 11.053 11.760 0.149 1.00 0.00 N ATOM 0 H GLN A 11 5.472 13.487 1.751 1.00 0.00 H new ATOM 0 HA GLN A 11 6.044 11.551 -0.207 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.572 13.380 0.772 1.00 0.00 H new ATOM 0 HB3 GLN A 11 7.800 12.338 2.162 1.00 0.00 H new ATOM 0 HG2 GLN A 11 8.402 10.479 0.380 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.605 11.822 -0.727 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.949 11.526 -0.838 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.979 11.944 0.535 1.00 0.00 H new ATOM 121 N LYS A 12 5.678 10.457 2.863 1.00 0.00 N ATOM 122 CA LYS A 12 5.555 9.252 3.679 1.00 0.00 C ATOM 123 C LYS A 12 4.438 8.361 3.146 1.00 0.00 C ATOM 124 O LYS A 12 4.547 7.134 3.150 1.00 0.00 O ATOM 125 CB LYS A 12 5.253 9.617 5.132 1.00 0.00 C ATOM 126 CG LYS A 12 5.857 8.563 6.061 1.00 0.00 C ATOM 127 CD LYS A 12 5.424 8.843 7.503 1.00 0.00 C ATOM 128 CE LYS A 12 6.522 8.383 8.464 1.00 0.00 C ATOM 129 NZ LYS A 12 6.615 6.897 8.439 1.00 0.00 N ATOM 0 H LYS A 12 5.414 11.321 3.336 1.00 0.00 H new ATOM 0 HA LYS A 12 6.502 8.715 3.631 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.664 10.599 5.364 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.176 9.678 5.286 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.531 7.568 5.759 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.944 8.578 5.987 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.232 9.908 7.636 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.492 8.321 7.722 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.478 8.822 8.178 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.303 8.727 9.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.301 6.580 9.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.683 6.487 8.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.926 6.584 7.497 1.00 0.00 H new ATOM 143 N LEU A 13 3.361 8.992 2.689 1.00 0.00 N ATOM 144 CA LEU A 13 2.223 8.248 2.153 1.00 0.00 C ATOM 145 C LEU A 13 2.624 7.503 0.884 1.00 0.00 C ATOM 146 O LEU A 13 2.208 6.369 0.654 1.00 0.00 O ATOM 147 CB LEU A 13 1.067 9.198 1.829 1.00 0.00 C ATOM 148 CG LEU A 13 0.267 9.483 3.102 1.00 0.00 C ATOM 149 CD1 LEU A 13 -0.373 10.868 3.003 1.00 0.00 C ATOM 150 CD2 LEU A 13 -0.828 8.427 3.267 1.00 0.00 C ATOM 0 H LEU A 13 3.251 10.006 2.678 1.00 0.00 H new ATOM 0 HA LEU A 13 1.903 7.532 2.909 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.453 10.129 1.414 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.420 8.755 1.072 1.00 0.00 H new ATOM 0 HG LEU A 13 0.934 9.451 3.963 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.943 11.071 3.910 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.406 11.621 2.888 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.039 10.900 2.141 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.397 8.631 4.174 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.495 8.457 2.406 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.373 7.439 3.339 1.00 0.00 H new ATOM 162 N ILE A 14 3.440 8.158 0.061 1.00 0.00 N ATOM 163 CA ILE A 14 3.897 7.552 -1.186 1.00 0.00 C ATOM 164 C ILE A 14 4.829 6.378 -0.895 1.00 0.00 C ATOM 165 O ILE A 14 4.599 5.257 -1.350 1.00 0.00 O ATOM 166 CB ILE A 14 4.639 8.584 -2.042 1.00 0.00 C ATOM 167 CG1 ILE A 14 3.732 9.795 -2.275 1.00 0.00 C ATOM 168 CG2 ILE A 14 5.015 7.965 -3.392 1.00 0.00 C ATOM 169 CD1 ILE A 14 4.520 10.895 -2.988 1.00 0.00 C ATOM 0 H ILE A 14 3.795 9.099 0.233 1.00 0.00 H new ATOM 0 HA ILE A 14 3.023 7.194 -1.730 1.00 0.00 H new ATOM 0 HB ILE A 14 5.546 8.896 -1.524 1.00 0.00 H new ATOM 0 HG12 ILE A 14 2.868 9.506 -2.874 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.351 10.165 -1.323 1.00 0.00 H new ATOM 0 HG21 ILE A 14 5.542 8.703 -3.996 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.660 7.102 -3.229 1.00 0.00 H new ATOM 0 HG23 ILE A 14 4.111 7.649 -3.912 1.00 0.00 H new ATOM 0 HD11 ILE A 14 3.873 11.757 -3.154 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.369 11.191 -2.372 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.880 10.522 -3.947 1.00 0.00 H new ATOM 181 N SER A 15 5.887 6.651 -0.136 1.00 0.00 N ATOM 182 CA SER A 15 6.855 5.612 0.208 1.00 0.00 C ATOM 183 C SER A 15 6.176 4.474 0.966 1.00 0.00 C ATOM 184 O SER A 15 6.555 3.310 0.836 1.00 0.00 O ATOM 185 CB SER A 15 7.974 6.190 1.074 1.00 0.00 C ATOM 186 OG SER A 15 7.426 6.651 2.301 1.00 0.00 O ATOM 0 H SER A 15 6.095 7.572 0.249 1.00 0.00 H new ATOM 0 HA SER A 15 7.276 5.226 -0.721 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.732 5.430 1.264 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.467 7.010 0.552 1.00 0.00 H new ATOM 0 HG SER A 15 8.141 7.021 2.860 1.00 0.00 H new ATOM 192 N GLU A 16 5.167 4.825 1.757 1.00 0.00 N ATOM 193 CA GLU A 16 4.438 3.827 2.533 1.00 0.00 C ATOM 194 C GLU A 16 3.570 2.973 1.615 1.00 0.00 C ATOM 195 O GLU A 16 3.571 1.745 1.698 1.00 0.00 O ATOM 196 CB GLU A 16 3.546 4.503 3.575 1.00 0.00 C ATOM 197 CG GLU A 16 4.381 4.866 4.805 1.00 0.00 C ATOM 198 CD GLU A 16 4.372 3.701 5.788 1.00 0.00 C ATOM 199 OE1 GLU A 16 4.669 2.595 5.369 1.00 0.00 O ATOM 200 OE2 GLU A 16 4.069 3.933 6.947 1.00 0.00 O ATOM 0 H GLU A 16 4.838 5.783 1.877 1.00 0.00 H new ATOM 0 HA GLU A 16 5.168 3.195 3.039 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.092 5.400 3.153 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.732 3.837 3.859 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.404 5.097 4.508 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.978 5.760 5.281 1.00 0.00 H new ATOM 207 N GLU A 17 2.830 3.641 0.733 1.00 0.00 N ATOM 208 CA GLU A 17 1.957 2.939 -0.203 1.00 0.00 C ATOM 209 C GLU A 17 2.786 2.124 -1.193 1.00 0.00 C ATOM 210 O GLU A 17 2.397 1.029 -1.596 1.00 0.00 O ATOM 211 CB GLU A 17 1.092 3.933 -0.978 1.00 0.00 C ATOM 212 CG GLU A 17 0.017 3.176 -1.761 1.00 0.00 C ATOM 213 CD GLU A 17 -0.363 3.973 -3.003 1.00 0.00 C ATOM 214 OE1 GLU A 17 -0.552 5.171 -2.880 1.00 0.00 O ATOM 215 OE2 GLU A 17 -0.460 3.371 -4.061 1.00 0.00 O ATOM 0 H GLU A 17 2.817 4.657 0.647 1.00 0.00 H new ATOM 0 HA GLU A 17 1.315 2.272 0.371 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.626 4.639 -0.290 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.711 4.515 -1.661 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.386 2.191 -2.047 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.861 3.018 -1.135 1.00 0.00 H new ATOM 222 N ASP A 18 3.933 2.677 -1.579 1.00 0.00 N ATOM 223 CA ASP A 18 4.818 1.997 -2.523 1.00 0.00 C ATOM 224 C ASP A 18 5.275 0.653 -1.961 1.00 0.00 C ATOM 225 O ASP A 18 5.503 -0.300 -2.703 1.00 0.00 O ATOM 226 CB ASP A 18 6.049 2.856 -2.817 1.00 0.00 C ATOM 227 CG ASP A 18 6.832 2.244 -3.975 1.00 0.00 C ATOM 228 OD1 ASP A 18 6.385 2.377 -5.102 1.00 0.00 O ATOM 229 OD2 ASP A 18 7.867 1.652 -3.716 1.00 0.00 O ATOM 0 H ASP A 18 4.270 3.584 -1.257 1.00 0.00 H new ATOM 0 HA ASP A 18 4.259 1.833 -3.444 1.00 0.00 H new ATOM 0 HB2 ASP A 18 5.745 3.873 -3.067 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.681 2.921 -1.931 1.00 0.00 H new ATOM 234 N LEU A 19 5.402 0.591 -0.638 1.00 0.00 N ATOM 235 CA LEU A 19 5.831 -0.643 0.017 1.00 0.00 C ATOM 236 C LEU A 19 4.704 -1.671 0.007 1.00 0.00 C ATOM 237 O LEU A 19 4.941 -2.868 -0.153 1.00 0.00 O ATOM 238 CB LEU A 19 6.238 -0.364 1.465 1.00 0.00 C ATOM 239 CG LEU A 19 7.273 -1.398 1.911 1.00 0.00 C ATOM 240 CD1 LEU A 19 7.935 -0.931 3.208 1.00 0.00 C ATOM 241 CD2 LEU A 19 6.580 -2.742 2.149 1.00 0.00 C ATOM 0 H LEU A 19 5.217 1.369 -0.005 1.00 0.00 H new ATOM 0 HA LEU A 19 6.686 -1.037 -0.532 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.652 0.641 1.551 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.364 -0.405 2.114 1.00 0.00 H new ATOM 0 HG LEU A 19 8.031 -1.511 1.136 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.673 -1.668 3.526 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.428 0.027 3.041 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.177 -0.819 3.983 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.317 -3.480 2.467 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.822 -2.628 2.924 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.107 -3.076 1.226 1.00 0.00 H new ATOM 253 N LEU A 20 3.477 -1.188 0.177 1.00 0.00 N ATOM 254 CA LEU A 20 2.316 -2.074 0.187 1.00 0.00 C ATOM 255 C LEU A 20 2.100 -2.683 -1.195 1.00 0.00 C ATOM 256 O LEU A 20 1.900 -3.890 -1.334 1.00 0.00 O ATOM 257 CB LEU A 20 1.059 -1.302 0.591 1.00 0.00 C ATOM 258 CG LEU A 20 0.902 -1.342 2.112 1.00 0.00 C ATOM 259 CD1 LEU A 20 -0.060 -0.237 2.557 1.00 0.00 C ATOM 260 CD2 LEU A 20 0.342 -2.702 2.531 1.00 0.00 C ATOM 0 H LEU A 20 3.261 -0.200 0.308 1.00 0.00 H new ATOM 0 HA LEU A 20 2.504 -2.868 0.910 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.128 -0.269 0.249 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.182 -1.738 0.113 1.00 0.00 H new ATOM 0 HG LEU A 20 1.874 -1.188 2.580 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.171 -0.266 3.641 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.338 0.733 2.259 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.032 -0.390 2.088 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.230 -2.731 3.615 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.630 -2.856 2.061 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.026 -3.490 2.216 1.00 0.00 H new ATOM 272 N ARG A 21 2.140 -1.832 -2.216 1.00 0.00 N ATOM 273 CA ARG A 21 1.945 -2.292 -3.590 1.00 0.00 C ATOM 274 C ARG A 21 3.022 -3.302 -3.978 1.00 0.00 C ATOM 275 O ARG A 21 2.784 -4.211 -4.772 1.00 0.00 O ATOM 276 CB ARG A 21 1.991 -1.109 -4.561 1.00 0.00 C ATOM 277 CG ARG A 21 3.307 -0.352 -4.392 1.00 0.00 C ATOM 278 CD ARG A 21 3.426 0.709 -5.487 1.00 0.00 C ATOM 279 NE ARG A 21 3.336 0.095 -6.814 1.00 0.00 N ATOM 280 CZ ARG A 21 3.074 0.813 -7.916 1.00 0.00 C ATOM 281 NH1 ARG A 21 2.881 2.109 -7.854 1.00 0.00 N ATOM 282 NH2 ARG A 21 3.010 0.211 -9.072 1.00 0.00 N ATOM 0 H ARG A 21 2.304 -0.830 -2.122 1.00 0.00 H new ATOM 0 HA ARG A 21 0.968 -2.771 -3.648 1.00 0.00 H new ATOM 0 HB2 ARG A 21 1.895 -1.465 -5.587 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.150 -0.441 -4.375 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.346 0.118 -3.409 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.147 -1.044 -4.448 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.636 1.450 -5.369 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.375 1.236 -5.388 1.00 0.00 H new ATOM 0 HE ARG A 21 3.477 -0.911 -6.903 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.929 2.589 -6.955 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.683 2.636 -8.704 1.00 0.00 H new ATOM 0 HH21 ARG A 21 3.159 -0.796 -9.131 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.811 0.748 -9.916 1.00 0.00 H new ATOM 296 N LYS A 22 4.213 -3.131 -3.408 1.00 0.00 N ATOM 297 CA LYS A 22 5.321 -4.034 -3.701 1.00 0.00 C ATOM 298 C LYS A 22 5.009 -5.440 -3.201 1.00 0.00 C ATOM 299 O LYS A 22 5.287 -6.430 -3.878 1.00 0.00 O ATOM 300 CB LYS A 22 6.606 -3.540 -3.030 1.00 0.00 C ATOM 301 CG LYS A 22 7.801 -4.325 -3.578 1.00 0.00 C ATOM 302 CD LYS A 22 8.911 -4.364 -2.526 1.00 0.00 C ATOM 303 CE LYS A 22 10.092 -5.179 -3.061 1.00 0.00 C ATOM 304 NZ LYS A 22 9.668 -6.594 -3.258 1.00 0.00 N ATOM 0 H LYS A 22 4.433 -2.385 -2.749 1.00 0.00 H new ATOM 0 HA LYS A 22 5.461 -4.055 -4.782 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.740 -2.475 -3.217 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.537 -3.668 -1.950 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.496 -5.339 -3.838 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.168 -3.858 -4.492 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.234 -3.351 -2.285 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.537 -4.808 -1.603 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.441 -4.758 -4.004 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.927 -5.132 -2.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.507 -7.209 -3.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.041 -6.880 -2.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.160 -6.682 -4.161 1.00 0.00 H new ATOM 318 N ARG A 23 4.424 -5.515 -2.010 1.00 0.00 N ATOM 319 CA ARG A 23 4.073 -6.805 -1.424 1.00 0.00 C ATOM 320 C ARG A 23 2.988 -7.488 -2.250 1.00 0.00 C ATOM 321 O ARG A 23 2.946 -8.713 -2.354 1.00 0.00 O ATOM 322 CB ARG A 23 3.568 -6.624 0.009 1.00 0.00 C ATOM 323 CG ARG A 23 3.558 -7.977 0.722 1.00 0.00 C ATOM 324 CD ARG A 23 2.778 -7.857 2.032 1.00 0.00 C ATOM 325 NE ARG A 23 2.886 -9.093 2.812 1.00 0.00 N ATOM 326 CZ ARG A 23 4.002 -9.417 3.482 1.00 0.00 C ATOM 327 NH1 ARG A 23 5.056 -8.638 3.466 1.00 0.00 N ATOM 328 NH2 ARG A 23 4.038 -10.531 4.162 1.00 0.00 N ATOM 0 H ARG A 23 4.185 -4.707 -1.436 1.00 0.00 H new ATOM 0 HA ARG A 23 4.969 -7.425 -1.417 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.208 -5.923 0.545 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.565 -6.198 0.001 1.00 0.00 H new ATOM 0 HG2 ARG A 23 3.102 -8.733 0.083 1.00 0.00 H new ATOM 0 HG3 ARG A 23 4.579 -8.302 0.923 1.00 0.00 H new ATOM 0 HD2 ARG A 23 3.161 -7.019 2.614 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.730 -7.645 1.819 1.00 0.00 H new ATOM 0 HE ARG A 23 2.088 -9.727 2.846 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.038 -7.766 2.937 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.894 -8.904 3.983 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.223 -11.144 4.180 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.881 -10.788 4.675 1.00 0.00 H new ATOM 342 N ARG A 24 2.112 -6.678 -2.840 1.00 0.00 N ATOM 343 CA ARG A 24 1.027 -7.211 -3.658 1.00 0.00 C ATOM 344 C ARG A 24 1.587 -7.969 -4.858 1.00 0.00 C ATOM 345 O ARG A 24 1.091 -9.032 -5.227 1.00 0.00 O ATOM 346 CB ARG A 24 0.128 -6.080 -4.160 1.00 0.00 C ATOM 347 CG ARG A 24 -1.203 -6.660 -4.641 1.00 0.00 C ATOM 348 CD ARG A 24 -2.297 -5.599 -4.522 1.00 0.00 C ATOM 349 NE ARG A 24 -3.395 -5.880 -5.451 1.00 0.00 N ATOM 350 CZ ARG A 24 -3.272 -5.697 -6.774 1.00 0.00 C ATOM 351 NH1 ARG A 24 -2.155 -5.258 -7.300 1.00 0.00 N ATOM 352 NH2 ARG A 24 -4.286 -5.965 -7.552 1.00 0.00 N ATOM 0 H ARG A 24 2.132 -5.661 -2.768 1.00 0.00 H new ATOM 0 HA ARG A 24 0.443 -7.891 -3.038 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.045 -5.358 -3.362 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.619 -5.545 -4.973 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.114 -6.991 -5.676 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.465 -7.536 -4.047 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.676 -5.574 -3.500 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -1.880 -4.614 -4.732 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.280 -6.225 -5.080 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.357 -5.048 -6.701 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.084 -5.126 -8.309 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.159 -6.309 -7.152 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -4.205 -5.830 -8.560 1.00 0.00 H new ATOM 366 N GLU A 25 2.631 -7.406 -5.461 1.00 0.00 N ATOM 367 CA GLU A 25 3.257 -8.035 -6.621 1.00 0.00 C ATOM 368 C GLU A 25 3.966 -9.322 -6.210 1.00 0.00 C ATOM 369 O GLU A 25 3.990 -10.301 -6.956 1.00 0.00 O ATOM 370 CB GLU A 25 4.273 -7.087 -7.261 1.00 0.00 C ATOM 371 CG GLU A 25 4.638 -7.597 -8.656 1.00 0.00 C ATOM 372 CD GLU A 25 4.990 -6.417 -9.554 1.00 0.00 C ATOM 373 OE1 GLU A 25 4.191 -5.497 -9.632 1.00 0.00 O ATOM 374 OE2 GLU A 25 6.055 -6.448 -10.149 1.00 0.00 O ATOM 0 H GLU A 25 3.057 -6.526 -5.170 1.00 0.00 H new ATOM 0 HA GLU A 25 2.474 -8.266 -7.343 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.857 -6.082 -7.327 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.167 -7.022 -6.641 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.482 -8.285 -8.594 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.803 -8.154 -9.081 1.00 0.00 H new ATOM 381 N GLN A 26 4.546 -9.307 -5.013 1.00 0.00 N ATOM 382 CA GLN A 26 5.255 -10.478 -4.507 1.00 0.00 C ATOM 383 C GLN A 26 4.263 -11.555 -4.074 1.00 0.00 C ATOM 384 O GLN A 26 4.516 -12.750 -4.229 1.00 0.00 O ATOM 385 CB GLN A 26 6.130 -10.099 -3.311 1.00 0.00 C ATOM 386 CG GLN A 26 7.064 -11.263 -2.972 1.00 0.00 C ATOM 387 CD GLN A 26 8.386 -11.088 -3.710 1.00 0.00 C ATOM 388 OE1 GLN A 26 9.317 -10.470 -3.192 1.00 0.00 O ATOM 389 NE2 GLN A 26 8.527 -11.599 -4.902 1.00 0.00 N ATOM 0 H GLN A 26 4.540 -8.506 -4.381 1.00 0.00 H new ATOM 0 HA GLN A 26 5.884 -10.863 -5.310 1.00 0.00 H new ATOM 0 HB2 GLN A 26 6.712 -9.207 -3.541 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.505 -9.858 -2.451 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.238 -11.302 -1.897 1.00 0.00 H new ATOM 0 HG3 GLN A 26 6.601 -12.208 -3.254 1.00 0.00 H new ATOM 0 HE21 GLN A 26 7.757 -12.111 -5.332 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.408 -11.487 -5.404 1.00 0.00 H new ATOM 398 N LEU A 27 3.131 -11.115 -3.533 1.00 0.00 N ATOM 399 CA LEU A 27 2.103 -12.047 -3.080 1.00 0.00 C ATOM 400 C LEU A 27 1.546 -12.839 -4.258 1.00 0.00 C ATOM 401 O LEU A 27 1.246 -14.026 -4.140 1.00 0.00 O ATOM 402 CB LEU A 27 0.956 -11.292 -2.403 1.00 0.00 C ATOM 403 CG LEU A 27 1.410 -10.800 -1.027 1.00 0.00 C ATOM 404 CD1 LEU A 27 0.548 -9.611 -0.600 1.00 0.00 C ATOM 405 CD2 LEU A 27 1.258 -11.932 -0.009 1.00 0.00 C ATOM 0 H LEU A 27 2.903 -10.130 -3.398 1.00 0.00 H new ATOM 0 HA LEU A 27 2.561 -12.730 -2.365 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.649 -10.447 -3.020 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.088 -11.944 -2.300 1.00 0.00 H new ATOM 0 HG LEU A 27 2.454 -10.491 -1.076 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.871 -9.261 0.380 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.654 -8.805 -1.327 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.496 -9.919 -0.549 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.581 -11.585 0.972 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.213 -12.239 0.040 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.872 -12.780 -0.313 1.00 0.00 H new ATOM 417 N LYS A 28 1.413 -12.167 -5.399 1.00 0.00 N ATOM 418 CA LYS A 28 0.892 -12.815 -6.597 1.00 0.00 C ATOM 419 C LYS A 28 1.885 -13.847 -7.121 1.00 0.00 C ATOM 420 O LYS A 28 1.506 -14.942 -7.538 1.00 0.00 O ATOM 421 CB LYS A 28 0.624 -11.780 -7.693 1.00 0.00 C ATOM 422 CG LYS A 28 -0.605 -10.949 -7.321 1.00 0.00 C ATOM 423 CD LYS A 28 -1.855 -11.579 -7.937 1.00 0.00 C ATOM 424 CE LYS A 28 -3.084 -11.186 -7.116 1.00 0.00 C ATOM 425 NZ LYS A 28 -3.653 -9.917 -7.648 1.00 0.00 N ATOM 0 H LYS A 28 1.656 -11.184 -5.518 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.041 -13.312 -6.331 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.491 -11.131 -7.815 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.463 -12.280 -8.648 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.708 -10.898 -6.237 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.487 -9.926 -7.679 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.972 -11.246 -8.968 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.753 -12.664 -7.962 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.832 -11.978 -7.159 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.810 -11.063 -6.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.489 -9.650 -7.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.939 -9.163 -7.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.929 -10.050 -8.642 1.00 0.00 H new ATOM 439 N HIS A 29 3.165 -13.484 -7.093 1.00 0.00 N ATOM 440 CA HIS A 29 4.212 -14.385 -7.567 1.00 0.00 C ATOM 441 C HIS A 29 4.264 -15.642 -6.704 1.00 0.00 C ATOM 442 O HIS A 29 4.513 -16.742 -7.197 1.00 0.00 O ATOM 443 CB HIS A 29 5.576 -13.693 -7.519 1.00 0.00 C ATOM 444 CG HIS A 29 5.549 -12.474 -8.401 1.00 0.00 C ATOM 445 ND1 HIS A 29 4.788 -12.414 -9.557 1.00 0.00 N ATOM 446 CD2 HIS A 29 6.187 -11.262 -8.308 1.00 0.00 C ATOM 447 CE1 HIS A 29 4.983 -11.202 -10.109 1.00 0.00 C ATOM 448 NE2 HIS A 29 5.827 -10.459 -9.388 1.00 0.00 N ATOM 0 H HIS A 29 3.500 -12.583 -6.751 1.00 0.00 H new ATOM 0 HA HIS A 29 3.979 -14.659 -8.596 1.00 0.00 H new ATOM 0 HB2 HIS A 29 5.816 -13.409 -6.494 1.00 0.00 H new ATOM 0 HB3 HIS A 29 6.356 -14.378 -7.851 1.00 0.00 H new ATOM 0 HD1 HIS A 29 4.189 -13.154 -9.923 1.00 0.00 H new ATOM 0 HD2 HIS A 29 6.865 -10.975 -7.518 1.00 0.00 H new ATOM 0 HE1 HIS A 29 4.514 -10.871 -11.024 1.00 0.00 H new ATOM 456 N LYS A 30 4.026 -15.466 -5.407 1.00 0.00 N ATOM 457 CA LYS A 30 4.047 -16.593 -4.479 1.00 0.00 C ATOM 458 C LYS A 30 2.943 -17.588 -4.823 1.00 0.00 C ATOM 459 O LYS A 30 3.119 -18.800 -4.696 1.00 0.00 O ATOM 460 CB LYS A 30 3.850 -16.106 -3.041 1.00 0.00 C ATOM 461 CG LYS A 30 4.623 -17.014 -2.083 1.00 0.00 C ATOM 462 CD LYS A 30 6.019 -16.437 -1.846 1.00 0.00 C ATOM 463 CE LYS A 30 6.471 -16.760 -0.421 1.00 0.00 C ATOM 464 NZ LYS A 30 7.431 -15.720 0.045 1.00 0.00 N ATOM 0 H LYS A 30 3.818 -14.564 -4.978 1.00 0.00 H new ATOM 0 HA LYS A 30 5.017 -17.083 -4.566 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.197 -15.077 -2.944 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.790 -16.110 -2.787 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.089 -17.101 -1.137 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.699 -18.018 -2.499 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.723 -16.855 -2.565 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.009 -15.358 -2.000 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.609 -16.799 0.245 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.941 -17.743 -0.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.738 -15.940 1.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.258 -15.704 -0.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.968 -14.789 0.032 1.00 0.00 H new ATOM 478 N LEU A 31 1.804 -17.061 -5.260 1.00 0.00 N ATOM 479 CA LEU A 31 0.673 -17.910 -5.623 1.00 0.00 C ATOM 480 C LEU A 31 0.949 -18.636 -6.935 1.00 0.00 C ATOM 481 O LEU A 31 0.613 -19.809 -7.095 1.00 0.00 O ATOM 482 CB LEU A 31 -0.599 -17.073 -5.776 1.00 0.00 C ATOM 483 CG LEU A 31 -1.284 -16.932 -4.415 1.00 0.00 C ATOM 484 CD1 LEU A 31 -2.159 -15.678 -4.411 1.00 0.00 C ATOM 485 CD2 LEU A 31 -2.158 -18.162 -4.155 1.00 0.00 C ATOM 0 H LEU A 31 1.639 -16.061 -5.371 1.00 0.00 H new ATOM 0 HA LEU A 31 0.534 -18.640 -4.826 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.354 -16.089 -6.175 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.275 -17.546 -6.488 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.527 -16.850 -3.635 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.647 -15.578 -3.441 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.539 -14.801 -4.598 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.916 -15.760 -5.191 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.647 -18.063 -3.186 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.914 -18.243 -4.936 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.536 -19.057 -4.158 1.00 0.00 H new ATOM 497 N GLU A 32 1.569 -17.924 -7.872 1.00 0.00 N ATOM 498 CA GLU A 32 1.889 -18.508 -9.171 1.00 0.00 C ATOM 499 C GLU A 32 2.976 -19.566 -9.026 1.00 0.00 C ATOM 500 O GLU A 32 2.961 -20.590 -9.711 1.00 0.00 O ATOM 501 CB GLU A 32 2.372 -17.426 -10.139 1.00 0.00 C ATOM 502 CG GLU A 32 1.167 -16.744 -10.788 1.00 0.00 C ATOM 503 CD GLU A 32 0.495 -17.711 -11.756 1.00 0.00 C ATOM 504 OE1 GLU A 32 1.209 -18.456 -12.409 1.00 0.00 O ATOM 505 OE2 GLU A 32 -0.724 -17.693 -11.832 1.00 0.00 O ATOM 0 H GLU A 32 1.857 -16.952 -7.759 1.00 0.00 H new ATOM 0 HA GLU A 32 0.984 -18.970 -9.565 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.976 -16.691 -9.607 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.009 -17.867 -10.905 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.458 -16.428 -10.022 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.486 -15.846 -11.317 1.00 0.00 H new ATOM 512 N GLN A 33 3.922 -19.309 -8.128 1.00 0.00 N ATOM 513 CA GLN A 33 5.018 -20.246 -7.898 1.00 0.00 C ATOM 514 C GLN A 33 4.546 -21.416 -7.040 1.00 0.00 C ATOM 515 O GLN A 33 4.810 -22.577 -7.350 1.00 0.00 O ATOM 516 CB GLN A 33 6.182 -19.549 -7.193 1.00 0.00 C ATOM 517 CG GLN A 33 7.116 -18.932 -8.235 1.00 0.00 C ATOM 518 CD GLN A 33 7.854 -17.747 -7.622 1.00 0.00 C ATOM 519 OE1 GLN A 33 7.740 -16.620 -8.104 1.00 0.00 O ATOM 520 NE2 GLN A 33 8.610 -17.936 -6.575 1.00 0.00 N ATOM 0 H GLN A 33 3.953 -18.468 -7.552 1.00 0.00 H new ATOM 0 HA GLN A 33 5.352 -20.616 -8.867 1.00 0.00 H new ATOM 0 HB2 GLN A 33 5.805 -18.775 -6.524 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.728 -20.264 -6.578 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.831 -19.677 -8.584 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.544 -18.607 -9.104 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.704 -18.870 -6.176 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.107 -17.150 -6.156 1.00 0.00 H new ATOM 529 N LEU A 34 3.844 -21.095 -5.958 1.00 0.00 N ATOM 530 CA LEU A 34 3.336 -22.127 -5.058 1.00 0.00 C ATOM 531 C LEU A 34 1.814 -22.193 -5.128 1.00 0.00 C ATOM 532 O LEU A 34 1.117 -21.541 -4.352 1.00 0.00 O ATOM 533 CB LEU A 34 3.756 -21.833 -3.616 1.00 0.00 C ATOM 534 CG LEU A 34 5.282 -21.862 -3.513 1.00 0.00 C ATOM 535 CD1 LEU A 34 5.711 -21.345 -2.138 1.00 0.00 C ATOM 536 CD2 LEU A 34 5.776 -23.298 -3.693 1.00 0.00 C ATOM 0 H LEU A 34 3.615 -20.140 -5.684 1.00 0.00 H new ATOM 0 HA LEU A 34 3.756 -23.083 -5.371 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.379 -20.858 -3.308 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.321 -22.571 -2.942 1.00 0.00 H new ATOM 0 HG LEU A 34 5.711 -21.228 -4.289 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.798 -21.366 -2.065 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.358 -20.322 -2.007 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.283 -21.979 -1.361 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.863 -23.321 -3.620 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.347 -23.931 -2.916 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.470 -23.668 -4.672 1.00 0.00 H new HETATM 548 N NH2 A 35 1.249 -22.953 -6.027 1.00 0.00 N TER 551 NH2 A 35 HETATM 552 C ACE B 2 2.285 24.633 -3.460 1.00 0.00 C HETATM 553 O ACE B 2 3.297 25.256 -3.138 1.00 0.00 O HETATM 554 CH3 ACE B 2 1.096 25.339 -4.100 1.00 0.00 C HETATM 0 H1 ACE B 2 0.908 24.914 -5.086 1.00 0.00 H new HETATM 0 H2 ACE B 2 0.214 25.207 -3.473 1.00 0.00 H new HETATM 0 H3 ACE B 2 1.315 26.402 -4.199 1.00 0.00 H new ATOM 558 N CYS B 3 2.152 23.322 -3.278 1.00 0.00 N ATOM 559 CA CYS B 3 3.223 22.533 -2.673 1.00 0.00 C ATOM 560 C CYS B 3 3.576 21.344 -3.561 1.00 0.00 C ATOM 561 O CYS B 3 4.741 21.114 -3.883 1.00 0.00 O ATOM 562 CB CYS B 3 2.798 22.019 -1.296 1.00 0.00 C ATOM 563 SG CYS B 3 2.842 23.380 -0.105 1.00 0.00 S ATOM 0 H CYS B 3 1.323 22.787 -3.537 1.00 0.00 H new ATOM 0 HA CYS B 3 4.096 23.177 -2.565 1.00 0.00 H new ATOM 0 HB2 CYS B 3 1.794 21.598 -1.347 1.00 0.00 H new ATOM 0 HB3 CYS B 3 3.463 21.218 -0.974 1.00 0.00 H new ATOM 568 N GLY B 4 2.552 20.590 -3.953 1.00 0.00 N ATOM 569 CA GLY B 4 2.761 19.422 -4.805 1.00 0.00 C ATOM 570 C GLY B 4 1.515 18.545 -4.836 1.00 0.00 C ATOM 571 O GLY B 4 0.530 18.863 -5.503 1.00 0.00 O ATOM 0 H GLY B 4 1.580 20.764 -3.698 1.00 0.00 H new ATOM 0 HA2 GLY B 4 3.010 19.744 -5.816 1.00 0.00 H new ATOM 0 HA3 GLY B 4 3.609 18.844 -4.436 1.00 0.00 H new ATOM 575 N GLY B 5 1.569 17.436 -4.104 1.00 0.00 N ATOM 576 CA GLY B 5 0.438 16.514 -4.052 1.00 0.00 C ATOM 577 C GLY B 5 -0.782 17.189 -3.435 1.00 0.00 C ATOM 578 O GLY B 5 -1.923 16.895 -3.794 1.00 0.00 O ATOM 0 H GLY B 5 2.374 17.156 -3.544 1.00 0.00 H new ATOM 0 HA2 GLY B 5 0.198 16.168 -5.057 1.00 0.00 H new ATOM 0 HA3 GLY B 5 0.707 15.634 -3.468 1.00 0.00 H new ATOM 582 N MET B 6 -0.528 18.100 -2.498 1.00 0.00 N ATOM 583 CA MET B 6 -1.611 18.819 -1.829 1.00 0.00 C ATOM 584 C MET B 6 -2.518 17.847 -1.082 1.00 0.00 C ATOM 585 O MET B 6 -2.276 16.640 -1.060 1.00 0.00 O ATOM 586 CB MET B 6 -2.447 19.603 -2.845 1.00 0.00 C ATOM 587 CG MET B 6 -1.857 21.003 -3.021 1.00 0.00 C ATOM 588 SD MET B 6 -2.451 21.715 -4.575 1.00 0.00 S ATOM 589 CE MET B 6 -1.329 23.134 -4.616 1.00 0.00 C ATOM 0 H MET B 6 0.409 18.356 -2.187 1.00 0.00 H new ATOM 0 HA MET B 6 -1.161 19.513 -1.119 1.00 0.00 H new ATOM 0 HB2 MET B 6 -2.461 19.080 -3.801 1.00 0.00 H new ATOM 0 HB3 MET B 6 -3.480 19.673 -2.505 1.00 0.00 H new ATOM 0 HG2 MET B 6 -2.145 21.639 -2.184 1.00 0.00 H new ATOM 0 HG3 MET B 6 -0.768 20.953 -3.024 1.00 0.00 H new ATOM 0 HE1 MET B 6 -1.904 24.049 -4.761 1.00 0.00 H new ATOM 0 HE2 MET B 6 -0.783 23.194 -3.674 1.00 0.00 H new ATOM 0 HE3 MET B 6 -0.623 23.016 -5.438 1.00 0.00 H new ATOM 599 N ARG B 7 -3.567 18.389 -0.471 1.00 0.00 N ATOM 600 CA ARG B 7 -4.512 17.566 0.279 1.00 0.00 C ATOM 601 C ARG B 7 -5.199 16.555 -0.637 1.00 0.00 C ATOM 602 O ARG B 7 -5.616 15.484 -0.196 1.00 0.00 O ATOM 603 CB ARG B 7 -5.578 18.445 0.938 1.00 0.00 C ATOM 604 CG ARG B 7 -4.905 19.443 1.883 1.00 0.00 C ATOM 605 CD ARG B 7 -5.908 19.900 2.943 1.00 0.00 C ATOM 606 NE ARG B 7 -5.600 21.260 3.393 1.00 0.00 N ATOM 607 CZ ARG B 7 -6.219 21.818 4.444 1.00 0.00 C ATOM 608 NH1 ARG B 7 -7.135 21.167 5.121 1.00 0.00 N ATOM 609 NH2 ARG B 7 -5.903 23.033 4.800 1.00 0.00 N ATOM 0 H ARG B 7 -3.784 19.386 -0.479 1.00 0.00 H new ATOM 0 HA ARG B 7 -3.951 17.031 1.046 1.00 0.00 H new ATOM 0 HB2 ARG B 7 -6.148 18.977 0.176 1.00 0.00 H new ATOM 0 HB3 ARG B 7 -6.285 17.825 1.490 1.00 0.00 H new ATOM 0 HG2 ARG B 7 -4.041 18.981 2.360 1.00 0.00 H new ATOM 0 HG3 ARG B 7 -4.538 20.302 1.321 1.00 0.00 H new ATOM 0 HD2 ARG B 7 -6.918 19.867 2.534 1.00 0.00 H new ATOM 0 HD3 ARG B 7 -5.885 19.216 3.792 1.00 0.00 H new ATOM 0 HE ARG B 7 -4.894 21.799 2.892 1.00 0.00 H new ATOM 0 HH11 ARG B 7 -7.389 20.217 4.851 1.00 0.00 H new ATOM 0 HH12 ARG B 7 -7.593 21.611 5.917 1.00 0.00 H new ATOM 0 HH21 ARG B 7 -5.192 23.548 4.281 1.00 0.00 H new ATOM 0 HH22 ARG B 7 -6.367 23.468 5.598 1.00 0.00 H new ATOM 623 N ARG B 8 -5.319 16.907 -1.917 1.00 0.00 N ATOM 624 CA ARG B 8 -5.964 16.022 -2.887 1.00 0.00 C ATOM 625 C ARG B 8 -5.252 14.671 -2.947 1.00 0.00 C ATOM 626 O ARG B 8 -5.882 13.618 -2.855 1.00 0.00 O ATOM 627 CB ARG B 8 -5.944 16.653 -4.281 1.00 0.00 C ATOM 628 CG ARG B 8 -7.103 17.646 -4.409 1.00 0.00 C ATOM 629 CD ARG B 8 -8.424 16.888 -4.582 1.00 0.00 C ATOM 630 NE ARG B 8 -9.218 16.950 -3.352 1.00 0.00 N ATOM 631 CZ ARG B 8 -9.927 18.038 -3.016 1.00 0.00 C ATOM 632 NH1 ARG B 8 -9.936 19.106 -3.777 1.00 0.00 N ATOM 633 NH2 ARG B 8 -10.620 18.035 -1.910 1.00 0.00 N ATOM 0 H ARG B 8 -4.982 17.789 -2.304 1.00 0.00 H new ATOM 0 HA ARG B 8 -6.995 15.873 -2.565 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -4.995 17.162 -4.448 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -6.029 15.879 -5.044 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -7.150 18.279 -3.523 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -6.937 18.304 -5.262 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -8.990 17.317 -5.409 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -8.222 15.848 -4.839 1.00 0.00 H new ATOM 0 HE ARG B 8 -9.232 16.140 -2.732 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -9.397 19.120 -4.643 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -10.482 19.923 -3.503 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -10.619 17.210 -1.310 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -11.162 18.857 -1.646 1.00 0.00 H new ATOM 647 N LYS B 9 -3.931 14.716 -3.101 1.00 0.00 N ATOM 648 CA LYS B 9 -3.142 13.489 -3.173 1.00 0.00 C ATOM 649 C LYS B 9 -3.168 12.759 -1.833 1.00 0.00 C ATOM 650 O LYS B 9 -3.175 11.530 -1.780 1.00 0.00 O ATOM 651 CB LYS B 9 -1.691 13.805 -3.540 1.00 0.00 C ATOM 652 CG LYS B 9 -1.526 13.756 -5.060 1.00 0.00 C ATOM 653 CD LYS B 9 -1.077 12.356 -5.481 1.00 0.00 C ATOM 654 CE LYS B 9 -1.357 12.155 -6.972 1.00 0.00 C ATOM 655 NZ LYS B 9 -1.025 10.754 -7.356 1.00 0.00 N ATOM 0 H LYS B 9 -3.390 15.577 -3.178 1.00 0.00 H new ATOM 0 HA LYS B 9 -3.580 12.853 -3.942 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -1.417 14.791 -3.166 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -1.021 13.087 -3.068 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -2.468 14.009 -5.547 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -0.793 14.496 -5.381 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -0.013 12.228 -5.280 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -1.605 11.602 -4.896 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -2.405 12.364 -7.187 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -0.765 12.855 -7.562 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -1.215 10.617 -8.369 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -0.019 10.571 -7.165 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -1.608 10.095 -6.802 1.00 0.00 H new ATOM 669 N ASN B 10 -3.183 13.532 -0.751 1.00 0.00 N ATOM 670 CA ASN B 10 -3.208 12.952 0.589 1.00 0.00 C ATOM 671 C ASN B 10 -4.469 12.116 0.787 1.00 0.00 C ATOM 672 O ASN B 10 -4.434 11.048 1.397 1.00 0.00 O ATOM 673 CB ASN B 10 -3.169 14.053 1.651 1.00 0.00 C ATOM 674 CG ASN B 10 -1.721 14.443 1.925 1.00 0.00 C ATOM 675 OD1 ASN B 10 -0.831 13.592 1.925 1.00 0.00 O ATOM 676 ND2 ASN B 10 -1.428 15.692 2.163 1.00 0.00 N ATOM 0 H ASN B 10 -3.178 14.552 -0.774 1.00 0.00 H new ATOM 0 HA ASN B 10 -2.330 12.315 0.694 1.00 0.00 H new ATOM 0 HB2 ASN B 10 -3.733 14.922 1.311 1.00 0.00 H new ATOM 0 HB3 ASN B 10 -3.643 13.705 2.569 1.00 0.00 H new ATOM 0 HD21 ASN B 10 -0.462 15.963 2.349 1.00 0.00 H new ATOM 0 HD22 ASN B 10 -2.165 16.398 2.163 1.00 0.00 H new ATOM 683 N ASP B 11 -5.584 12.616 0.262 1.00 0.00 N ATOM 684 CA ASP B 11 -6.856 11.910 0.385 1.00 0.00 C ATOM 685 C ASP B 11 -6.810 10.595 -0.387 1.00 0.00 C ATOM 686 O ASP B 11 -7.100 9.528 0.155 1.00 0.00 O ATOM 687 CB ASP B 11 -8.000 12.766 -0.157 1.00 0.00 C ATOM 688 CG ASP B 11 -9.335 12.174 0.285 1.00 0.00 C ATOM 689 OD1 ASP B 11 -9.820 11.286 -0.396 1.00 0.00 O ATOM 690 OD2 ASP B 11 -9.850 12.619 1.297 1.00 0.00 O ATOM 0 H ASP B 11 -5.634 13.498 -0.248 1.00 0.00 H new ATOM 0 HA ASP B 11 -7.027 11.707 1.442 1.00 0.00 H new ATOM 0 HB2 ASP B 11 -7.906 13.789 0.207 1.00 0.00 H new ATOM 0 HB3 ASP B 11 -7.952 12.809 -1.245 1.00 0.00 H new ATOM 695 N THR B 12 -6.441 10.684 -1.661 1.00 0.00 N ATOM 696 CA THR B 12 -6.356 9.495 -2.505 1.00 0.00 C ATOM 697 C THR B 12 -5.243 8.571 -2.021 1.00 0.00 C ATOM 698 O THR B 12 -5.326 7.351 -2.159 1.00 0.00 O ATOM 699 CB THR B 12 -6.079 9.889 -3.958 1.00 0.00 C ATOM 700 OG1 THR B 12 -4.828 10.558 -4.035 1.00 0.00 O ATOM 701 CG2 THR B 12 -7.188 10.817 -4.458 1.00 0.00 C ATOM 0 H THR B 12 -6.198 11.557 -2.129 1.00 0.00 H new ATOM 0 HA THR B 12 -7.311 8.973 -2.444 1.00 0.00 H new ATOM 0 HB THR B 12 -6.051 8.993 -4.579 1.00 0.00 H new ATOM 0 HG1 THR B 12 -4.648 10.810 -4.965 1.00 0.00 H new ATOM 0 HG21 THR B 12 -6.989 11.097 -5.493 1.00 0.00 H new ATOM 0 HG22 THR B 12 -8.147 10.303 -4.399 1.00 0.00 H new ATOM 0 HG23 THR B 12 -7.219 11.714 -3.839 1.00 0.00 H new ATOM 709 N HIS B 13 -4.198 9.167 -1.451 1.00 0.00 N ATOM 710 CA HIS B 13 -3.067 8.390 -0.948 1.00 0.00 C ATOM 711 C HIS B 13 -3.523 7.423 0.140 1.00 0.00 C ATOM 712 O HIS B 13 -3.043 6.292 0.228 1.00 0.00 O ATOM 713 CB HIS B 13 -1.996 9.316 -0.371 1.00 0.00 C ATOM 714 CG HIS B 13 -1.043 9.726 -1.459 1.00 0.00 C ATOM 715 ND1 HIS B 13 -0.495 10.941 -1.791 1.00 0.00 N flip ATOM 716 CD2 HIS B 13 -0.531 8.819 -2.375 1.00 0.00 C flip ATOM 717 CE1 HIS B 13 0.341 10.793 -2.892 1.00 0.00 C flip ATOM 718 NE2 HIS B 13 0.285 9.496 -3.204 1.00 0.00 N flip ATOM 0 H HIS B 13 -4.110 10.176 -1.326 1.00 0.00 H new ATOM 0 HA HIS B 13 -2.650 7.827 -1.783 1.00 0.00 H new ATOM 0 HB2 HIS B 13 -2.462 10.198 0.069 1.00 0.00 H new ATOM 0 HB3 HIS B 13 -1.455 8.809 0.428 1.00 0.00 H new ATOM 0 HD2 HIS B 13 -0.748 7.762 -2.416 1.00 0.00 H new ATOM 0 HE1 HIS B 13 0.913 11.563 -3.389 1.00 0.00 H new ATOM 0 HE2 HIS B 13 0.798 9.070 -3.976 1.00 0.00 H new ATOM 726 N GLN B 14 -4.453 7.883 0.969 1.00 0.00 N ATOM 727 CA GLN B 14 -4.973 7.054 2.055 1.00 0.00 C ATOM 728 C GLN B 14 -5.871 5.952 1.501 1.00 0.00 C ATOM 729 O GLN B 14 -5.878 4.828 2.001 1.00 0.00 O ATOM 730 CB GLN B 14 -5.777 7.904 3.041 1.00 0.00 C ATOM 731 CG GLN B 14 -4.829 8.825 3.813 1.00 0.00 C ATOM 732 CD GLN B 14 -5.579 9.463 4.978 1.00 0.00 C ATOM 733 OE1 GLN B 14 -6.552 10.191 4.775 1.00 0.00 O ATOM 734 NE2 GLN B 14 -5.179 9.234 6.199 1.00 0.00 N ATOM 0 H GLN B 14 -4.861 8.816 0.913 1.00 0.00 H new ATOM 0 HA GLN B 14 -4.124 6.606 2.572 1.00 0.00 H new ATOM 0 HB2 GLN B 14 -6.520 8.495 2.506 1.00 0.00 H new ATOM 0 HB3 GLN B 14 -6.320 7.261 3.733 1.00 0.00 H new ATOM 0 HG2 GLN B 14 -3.975 8.258 4.183 1.00 0.00 H new ATOM 0 HG3 GLN B 14 -4.437 9.598 3.152 1.00 0.00 H new ATOM 0 HE21 GLN B 14 -4.373 8.631 6.367 1.00 0.00 H new ATOM 0 HE22 GLN B 14 -5.672 9.658 6.985 1.00 0.00 H new ATOM 743 N GLN B 15 -6.629 6.289 0.461 1.00 0.00 N ATOM 744 CA GLN B 15 -7.530 5.322 -0.156 1.00 0.00 C ATOM 745 C GLN B 15 -6.737 4.182 -0.787 1.00 0.00 C ATOM 746 O GLN B 15 -7.007 3.007 -0.537 1.00 0.00 O ATOM 747 CB GLN B 15 -8.380 5.994 -1.235 1.00 0.00 C ATOM 748 CG GLN B 15 -9.752 5.317 -1.304 1.00 0.00 C ATOM 749 CD GLN B 15 -10.733 6.065 -0.409 1.00 0.00 C ATOM 750 OE1 GLN B 15 -11.482 6.922 -0.878 1.00 0.00 O ATOM 751 NE2 GLN B 15 -10.775 5.791 0.866 1.00 0.00 N ATOM 0 H GLN B 15 -6.638 7.214 0.032 1.00 0.00 H new ATOM 0 HA GLN B 15 -8.181 4.925 0.623 1.00 0.00 H new ATOM 0 HB2 GLN B 15 -8.497 7.054 -1.012 1.00 0.00 H new ATOM 0 HB3 GLN B 15 -7.880 5.925 -2.201 1.00 0.00 H new ATOM 0 HG2 GLN B 15 -10.114 5.309 -2.332 1.00 0.00 H new ATOM 0 HG3 GLN B 15 -9.673 4.277 -0.986 1.00 0.00 H new ATOM 0 HE21 GLN B 15 -10.155 5.081 1.256 1.00 0.00 H new ATOM 0 HE22 GLN B 15 -11.428 6.287 1.473 1.00 0.00 H new ATOM 760 N ASP B 16 -5.751 4.542 -1.607 1.00 0.00 N ATOM 761 CA ASP B 16 -4.920 3.539 -2.271 1.00 0.00 C ATOM 762 C ASP B 16 -4.194 2.680 -1.238 1.00 0.00 C ATOM 763 O ASP B 16 -4.079 1.465 -1.390 1.00 0.00 O ATOM 764 CB ASP B 16 -3.884 4.214 -3.173 1.00 0.00 C ATOM 765 CG ASP B 16 -3.577 3.307 -4.360 1.00 0.00 C ATOM 766 OD1 ASP B 16 -3.526 2.104 -4.165 1.00 0.00 O ATOM 767 OD2 ASP B 16 -3.395 3.829 -5.448 1.00 0.00 O ATOM 0 H ASP B 16 -5.510 5.509 -1.826 1.00 0.00 H new ATOM 0 HA ASP B 16 -5.572 2.909 -2.875 1.00 0.00 H new ATOM 0 HB2 ASP B 16 -4.262 5.175 -3.523 1.00 0.00 H new ATOM 0 HB3 ASP B 16 -2.973 4.416 -2.610 1.00 0.00 H new ATOM 772 N ILE B 17 -3.712 3.331 -0.183 1.00 0.00 N ATOM 773 CA ILE B 17 -3.003 2.625 0.880 1.00 0.00 C ATOM 774 C ILE B 17 -3.935 1.614 1.547 1.00 0.00 C ATOM 775 O ILE B 17 -3.810 0.404 1.357 1.00 0.00 O ATOM 776 CB ILE B 17 -2.477 3.638 1.928 1.00 0.00 C ATOM 777 CG1 ILE B 17 -1.174 4.257 1.414 1.00 0.00 C ATOM 778 CG2 ILE B 17 -2.208 2.960 3.287 1.00 0.00 C ATOM 779 CD1 ILE B 17 -0.871 5.535 2.199 1.00 0.00 C ATOM 0 H ILE B 17 -3.798 4.337 -0.042 1.00 0.00 H new ATOM 0 HA ILE B 17 -2.156 2.092 0.449 1.00 0.00 H new ATOM 0 HB ILE B 17 -3.239 4.404 2.073 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -0.354 3.547 1.524 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -1.261 4.482 0.351 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -1.840 3.701 3.997 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -3.132 2.523 3.665 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -1.461 2.176 3.161 1.00 0.00 H new ATOM 0 HD11 ILE B 17 0.056 5.975 1.833 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -1.687 6.245 2.067 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -0.766 5.296 3.257 1.00 0.00 H new ATOM 791 N ASP B 18 -4.850 2.138 2.361 1.00 0.00 N ATOM 792 CA ASP B 18 -5.791 1.301 3.103 1.00 0.00 C ATOM 793 C ASP B 18 -6.413 0.218 2.216 1.00 0.00 C ATOM 794 O ASP B 18 -6.765 -0.864 2.686 1.00 0.00 O ATOM 795 CB ASP B 18 -6.909 2.167 3.697 1.00 0.00 C ATOM 796 CG ASP B 18 -6.569 2.529 5.139 1.00 0.00 C ATOM 797 OD1 ASP B 18 -5.680 3.343 5.332 1.00 0.00 O ATOM 798 OD2 ASP B 18 -7.202 1.986 6.030 1.00 0.00 O ATOM 0 H ASP B 18 -4.960 3.139 2.523 1.00 0.00 H new ATOM 0 HA ASP B 18 -5.231 0.811 3.900 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -7.034 3.073 3.104 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -7.857 1.629 3.661 1.00 0.00 H new ATOM 803 N ASP B 19 -6.539 0.522 0.925 1.00 0.00 N ATOM 804 CA ASP B 19 -7.117 -0.433 -0.017 1.00 0.00 C ATOM 805 C ASP B 19 -6.124 -1.556 -0.308 1.00 0.00 C ATOM 806 O ASP B 19 -6.504 -2.718 -0.443 1.00 0.00 O ATOM 807 CB ASP B 19 -7.482 0.264 -1.330 1.00 0.00 C ATOM 808 CG ASP B 19 -8.266 -0.698 -2.218 1.00 0.00 C ATOM 809 OD1 ASP B 19 -9.474 -0.770 -2.057 1.00 0.00 O ATOM 810 OD2 ASP B 19 -7.648 -1.347 -3.045 1.00 0.00 O ATOM 0 H ASP B 19 -6.253 1.410 0.512 1.00 0.00 H new ATOM 0 HA ASP B 19 -8.018 -0.850 0.433 1.00 0.00 H new ATOM 0 HB2 ASP B 19 -8.076 1.155 -1.128 1.00 0.00 H new ATOM 0 HB3 ASP B 19 -6.578 0.593 -1.842 1.00 0.00 H new ATOM 815 N LEU B 20 -4.849 -1.191 -0.397 1.00 0.00 N ATOM 816 CA LEU B 20 -3.802 -2.173 -0.669 1.00 0.00 C ATOM 817 C LEU B 20 -3.665 -3.141 0.501 1.00 0.00 C ATOM 818 O LEU B 20 -3.481 -4.344 0.313 1.00 0.00 O ATOM 819 CB LEU B 20 -2.460 -1.474 -0.899 1.00 0.00 C ATOM 820 CG LEU B 20 -2.438 -0.853 -2.295 1.00 0.00 C ATOM 821 CD1 LEU B 20 -1.302 0.167 -2.384 1.00 0.00 C ATOM 822 CD2 LEU B 20 -2.218 -1.952 -3.339 1.00 0.00 C ATOM 0 H LEU B 20 -4.517 -0.233 -0.286 1.00 0.00 H new ATOM 0 HA LEU B 20 -4.081 -2.725 -1.566 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -2.306 -0.703 -0.144 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -1.644 -2.189 -0.795 1.00 0.00 H new ATOM 0 HG LEU B 20 -3.389 -0.355 -2.484 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -1.287 0.609 -3.380 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -1.457 0.950 -1.642 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -0.351 -0.330 -2.194 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -2.202 -1.510 -4.335 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -1.268 -2.450 -3.148 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -3.028 -2.679 -3.278 1.00 0.00 H new ATOM 834 N LYS B 21 -3.752 -2.600 1.714 1.00 0.00 N ATOM 835 CA LYS B 21 -3.635 -3.421 2.916 1.00 0.00 C ATOM 836 C LYS B 21 -4.754 -4.457 2.965 1.00 0.00 C ATOM 837 O LYS B 21 -4.553 -5.588 3.411 1.00 0.00 O ATOM 838 CB LYS B 21 -3.710 -2.548 4.171 1.00 0.00 C ATOM 839 CG LYS B 21 -2.304 -2.078 4.550 1.00 0.00 C ATOM 840 CD LYS B 21 -2.363 -1.321 5.878 1.00 0.00 C ATOM 841 CE LYS B 21 -1.055 -1.530 6.643 1.00 0.00 C ATOM 842 NZ LYS B 21 -0.849 -0.401 7.593 1.00 0.00 N ATOM 0 H LYS B 21 -3.902 -1.606 1.890 1.00 0.00 H new ATOM 0 HA LYS B 21 -2.671 -3.928 2.884 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -4.356 -1.689 3.991 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -4.151 -3.112 4.993 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -1.633 -2.933 4.635 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -1.901 -1.434 3.769 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -2.525 -0.258 5.696 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -3.205 -1.674 6.473 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -1.086 -2.475 7.186 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -0.219 -1.590 5.946 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 0.040 -0.543 8.113 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -0.802 0.493 7.064 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -1.641 -0.364 8.266 1.00 0.00 H new ATOM 856 N ARG B 22 -5.935 -4.058 2.506 1.00 0.00 N ATOM 857 CA ARG B 22 -7.084 -4.959 2.504 1.00 0.00 C ATOM 858 C ARG B 22 -6.812 -6.171 1.618 1.00 0.00 C ATOM 859 O ARG B 22 -6.953 -7.317 2.045 1.00 0.00 O ATOM 860 CB ARG B 22 -8.332 -4.238 1.989 1.00 0.00 C ATOM 861 CG ARG B 22 -9.571 -5.079 2.298 1.00 0.00 C ATOM 862 CD ARG B 22 -10.827 -4.306 1.895 1.00 0.00 C ATOM 863 NE ARG B 22 -11.948 -5.223 1.668 1.00 0.00 N ATOM 864 CZ ARG B 22 -13.211 -4.789 1.552 1.00 0.00 C ATOM 865 NH1 ARG B 22 -13.503 -3.514 1.635 1.00 0.00 N ATOM 866 NH2 ARG B 22 -14.169 -5.653 1.351 1.00 0.00 N ATOM 0 H ARG B 22 -6.122 -3.127 2.134 1.00 0.00 H new ATOM 0 HA ARG B 22 -7.252 -5.288 3.530 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -8.418 -3.258 2.458 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -8.251 -4.071 0.915 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -9.525 -6.025 1.759 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -9.605 -5.319 3.361 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -11.087 -3.592 2.676 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -10.632 -3.731 0.990 1.00 0.00 H new ATOM 0 HE ARG B 22 -11.761 -6.223 1.596 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -12.762 -2.830 1.791 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -14.471 -3.205 1.544 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -13.953 -6.648 1.284 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -15.133 -5.333 1.261 1.00 0.00 H new ATOM 880 N GLN B 23 -6.421 -5.904 0.374 1.00 0.00 N ATOM 881 CA GLN B 23 -6.131 -6.978 -0.570 1.00 0.00 C ATOM 882 C GLN B 23 -4.940 -7.804 -0.091 1.00 0.00 C ATOM 883 O GLN B 23 -5.007 -9.030 -0.011 1.00 0.00 O ATOM 884 CB GLN B 23 -5.817 -6.405 -1.953 1.00 0.00 C ATOM 885 CG GLN B 23 -7.106 -6.317 -2.776 1.00 0.00 C ATOM 886 CD GLN B 23 -7.244 -7.563 -3.643 1.00 0.00 C ATOM 887 OE1 GLN B 23 -7.040 -7.510 -4.856 1.00 0.00 O ATOM 888 NE2 GLN B 23 -7.584 -8.695 -3.089 1.00 0.00 N ATOM 0 H GLN B 23 -6.299 -4.963 -0.000 1.00 0.00 H new ATOM 0 HA GLN B 23 -7.012 -7.616 -0.633 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -5.368 -5.417 -1.855 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -5.090 -7.037 -2.463 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -7.967 -6.225 -2.114 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -7.089 -5.425 -3.403 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -7.753 -8.740 -2.084 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -7.680 -9.534 -3.661 1.00 0.00 H new ATOM 897 N ASN B 24 -3.847 -7.115 0.225 1.00 0.00 N ATOM 898 CA ASN B 24 -2.639 -7.789 0.694 1.00 0.00 C ATOM 899 C ASN B 24 -2.916 -8.550 1.988 1.00 0.00 C ATOM 900 O ASN B 24 -2.300 -9.581 2.261 1.00 0.00 O ATOM 901 CB ASN B 24 -1.522 -6.773 0.944 1.00 0.00 C ATOM 902 CG ASN B 24 -1.219 -6.017 -0.346 1.00 0.00 C ATOM 903 OD1 ASN B 24 -2.055 -5.950 -1.249 1.00 0.00 O ATOM 904 ND2 ASN B 24 -0.060 -5.436 -0.489 1.00 0.00 N ATOM 0 H ASN B 24 -3.772 -6.099 0.166 1.00 0.00 H new ATOM 0 HA ASN B 24 -2.327 -8.491 -0.079 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -1.821 -6.074 1.725 1.00 0.00 H new ATOM 0 HB3 ASN B 24 -0.626 -7.283 1.298 1.00 0.00 H new ATOM 0 HD21 ASN B 24 0.153 -4.927 -1.347 1.00 0.00 H new ATOM 0 HD22 ASN B 24 0.633 -5.490 0.257 1.00 0.00 H new ATOM 911 N ALA B 25 -3.847 -8.028 2.785 1.00 0.00 N ATOM 912 CA ALA B 25 -4.196 -8.667 4.052 1.00 0.00 C ATOM 913 C ALA B 25 -4.719 -10.081 3.818 1.00 0.00 C ATOM 914 O ALA B 25 -4.326 -11.024 4.504 1.00 0.00 O ATOM 915 CB ALA B 25 -5.269 -7.854 4.780 1.00 0.00 C ATOM 0 H ALA B 25 -4.367 -7.175 2.579 1.00 0.00 H new ATOM 0 HA ALA B 25 -3.294 -8.714 4.662 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -5.519 -8.342 5.722 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -4.892 -6.851 4.980 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -6.161 -7.789 4.157 1.00 0.00 H new ATOM 921 N LEU B 26 -5.612 -10.215 2.842 1.00 0.00 N ATOM 922 CA LEU B 26 -6.185 -11.520 2.524 1.00 0.00 C ATOM 923 C LEU B 26 -5.160 -12.400 1.815 1.00 0.00 C ATOM 924 O LEU B 26 -5.168 -13.623 1.954 1.00 0.00 O ATOM 925 CB LEU B 26 -7.411 -11.358 1.620 1.00 0.00 C ATOM 926 CG LEU B 26 -8.657 -11.159 2.483 1.00 0.00 C ATOM 927 CD1 LEU B 26 -8.873 -9.664 2.731 1.00 0.00 C ATOM 928 CD2 LEU B 26 -9.875 -11.735 1.757 1.00 0.00 C ATOM 0 H LEU B 26 -5.952 -9.447 2.264 1.00 0.00 H new ATOM 0 HA LEU B 26 -6.480 -11.993 3.461 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -7.276 -10.505 0.955 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -7.530 -12.239 0.989 1.00 0.00 H new ATOM 0 HG LEU B 26 -8.524 -11.670 3.437 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -9.761 -9.522 3.346 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -8.005 -9.251 3.246 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -9.006 -9.153 1.778 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -10.765 -11.594 2.371 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -10.007 -11.222 0.804 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -9.722 -12.799 1.578 1.00 0.00 H new ATOM 940 N LEU B 27 -4.276 -11.763 1.050 1.00 0.00 N ATOM 941 CA LEU B 27 -3.248 -12.497 0.318 1.00 0.00 C ATOM 942 C LEU B 27 -2.254 -13.136 1.284 1.00 0.00 C ATOM 943 O LEU B 27 -2.066 -14.352 1.288 1.00 0.00 O ATOM 944 CB LEU B 27 -2.492 -11.560 -0.627 1.00 0.00 C ATOM 945 CG LEU B 27 -3.424 -11.113 -1.754 1.00 0.00 C ATOM 946 CD1 LEU B 27 -2.738 -10.025 -2.583 1.00 0.00 C ATOM 947 CD2 LEU B 27 -3.748 -12.308 -2.652 1.00 0.00 C ATOM 0 H LEU B 27 -4.251 -10.751 0.922 1.00 0.00 H new ATOM 0 HA LEU B 27 -3.742 -13.277 -0.261 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -2.124 -10.692 -0.079 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -1.621 -12.068 -1.041 1.00 0.00 H new ATOM 0 HG LEU B 27 -4.346 -10.718 -1.327 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -3.402 -9.706 -3.386 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -2.506 -9.173 -1.944 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -1.816 -10.420 -3.010 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -4.412 -11.990 -3.455 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -2.826 -12.703 -3.079 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -4.237 -13.084 -2.063 1.00 0.00 H new ATOM 959 N GLU B 28 -1.616 -12.301 2.101 1.00 0.00 N ATOM 960 CA GLU B 28 -0.638 -12.785 3.066 1.00 0.00 C ATOM 961 C GLU B 28 -1.267 -13.800 4.018 1.00 0.00 C ATOM 962 O GLU B 28 -0.614 -14.742 4.467 1.00 0.00 O ATOM 963 CB GLU B 28 -0.084 -11.612 3.874 1.00 0.00 C ATOM 964 CG GLU B 28 -1.232 -10.861 4.553 1.00 0.00 C ATOM 965 CD GLU B 28 -0.902 -9.372 4.614 1.00 0.00 C ATOM 966 OE1 GLU B 28 -0.341 -8.871 3.654 1.00 0.00 O ATOM 967 OE2 GLU B 28 -1.215 -8.757 5.620 1.00 0.00 O ATOM 0 H GLU B 28 -1.759 -11.291 2.113 1.00 0.00 H new ATOM 0 HA GLU B 28 0.169 -13.272 2.518 1.00 0.00 H new ATOM 0 HB2 GLU B 28 0.619 -11.975 4.624 1.00 0.00 H new ATOM 0 HB3 GLU B 28 0.468 -10.937 3.220 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -2.159 -11.016 4.001 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -1.391 -11.250 5.559 1.00 0.00 H new ATOM 974 N GLN B 29 -2.547 -13.598 4.321 1.00 0.00 N ATOM 975 CA GLN B 29 -3.260 -14.502 5.221 1.00 0.00 C ATOM 976 C GLN B 29 -3.296 -15.913 4.641 1.00 0.00 C ATOM 977 O GLN B 29 -3.279 -16.902 5.375 1.00 0.00 O ATOM 978 CB GLN B 29 -4.695 -14.013 5.446 1.00 0.00 C ATOM 979 CG GLN B 29 -4.746 -13.137 6.699 1.00 0.00 C ATOM 980 CD GLN B 29 -6.169 -13.114 7.245 1.00 0.00 C ATOM 981 OE1 GLN B 29 -7.054 -12.483 6.666 1.00 0.00 O ATOM 982 NE2 GLN B 29 -6.446 -13.771 8.339 1.00 0.00 N ATOM 0 H GLN B 29 -3.107 -12.825 3.961 1.00 0.00 H new ATOM 0 HA GLN B 29 -2.730 -14.517 6.174 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -5.037 -13.447 4.580 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -5.367 -14.864 5.557 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -4.062 -13.524 7.454 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -4.420 -12.124 6.461 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -5.714 -14.294 8.819 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -7.395 -13.761 8.713 1.00 0.00 H new ATOM 991 N GLN B 30 -3.348 -15.995 3.315 1.00 0.00 N ATOM 992 CA GLN B 30 -3.386 -17.291 2.642 1.00 0.00 C ATOM 993 C GLN B 30 -1.978 -17.726 2.246 1.00 0.00 C ATOM 994 O GLN B 30 -1.617 -18.897 2.365 1.00 0.00 O ATOM 995 CB GLN B 30 -4.258 -17.217 1.386 1.00 0.00 C ATOM 996 CG GLN B 30 -5.699 -17.590 1.743 1.00 0.00 C ATOM 997 CD GLN B 30 -6.287 -16.524 2.660 1.00 0.00 C ATOM 998 OE1 GLN B 30 -6.801 -15.507 2.191 1.00 0.00 O ATOM 999 NE2 GLN B 30 -6.246 -16.697 3.953 1.00 0.00 N ATOM 0 H GLN B 30 -3.365 -15.189 2.690 1.00 0.00 H new ATOM 0 HA GLN B 30 -3.810 -18.018 3.334 1.00 0.00 H new ATOM 0 HB2 GLN B 30 -4.225 -16.212 0.966 1.00 0.00 H new ATOM 0 HB3 GLN B 30 -3.874 -17.894 0.623 1.00 0.00 H new ATOM 0 HG2 GLN B 30 -6.299 -17.677 0.837 1.00 0.00 H new ATOM 0 HG3 GLN B 30 -5.723 -18.562 2.235 1.00 0.00 H new ATOM 0 HE21 GLN B 30 -5.821 -17.539 4.342 1.00 0.00 H new ATOM 0 HE22 GLN B 30 -6.639 -15.991 4.575 1.00 0.00 H new ATOM 1008 N VAL B 31 -1.186 -16.766 1.773 1.00 0.00 N ATOM 1009 CA VAL B 31 0.185 -17.054 1.361 1.00 0.00 C ATOM 1010 C VAL B 31 1.001 -17.554 2.551 1.00 0.00 C ATOM 1011 O VAL B 31 1.901 -18.382 2.401 1.00 0.00 O ATOM 1012 CB VAL B 31 0.845 -15.796 0.785 1.00 0.00 C ATOM 1013 CG1 VAL B 31 2.238 -16.138 0.248 1.00 0.00 C ATOM 1014 CG2 VAL B 31 -0.018 -15.242 -0.357 1.00 0.00 C ATOM 0 H VAL B 31 -1.467 -15.791 1.666 1.00 0.00 H new ATOM 0 HA VAL B 31 0.156 -17.827 0.593 1.00 0.00 H new ATOM 0 HB VAL B 31 0.936 -15.048 1.572 1.00 0.00 H new ATOM 0 HG11 VAL B 31 2.701 -15.240 -0.160 1.00 0.00 H new ATOM 0 HG12 VAL B 31 2.854 -16.529 1.058 1.00 0.00 H new ATOM 0 HG13 VAL B 31 2.151 -16.890 -0.537 1.00 0.00 H new ATOM 0 HG21 VAL B 31 0.451 -14.347 -0.767 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -0.111 -15.994 -1.140 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -1.008 -14.990 0.024 1.00 0.00 H new ATOM 1024 N ARG B 32 0.676 -17.041 3.734 1.00 0.00 N ATOM 1025 CA ARG B 32 1.385 -17.440 4.949 1.00 0.00 C ATOM 1026 C ARG B 32 1.227 -18.938 5.193 1.00 0.00 C ATOM 1027 O ARG B 32 2.120 -19.591 5.734 1.00 0.00 O ATOM 1028 CB ARG B 32 0.844 -16.678 6.161 1.00 0.00 C ATOM 1029 CG ARG B 32 1.741 -16.944 7.371 1.00 0.00 C ATOM 1030 CD ARG B 32 1.010 -16.530 8.650 1.00 0.00 C ATOM 1031 NE ARG B 32 1.849 -16.772 9.826 1.00 0.00 N ATOM 1032 CZ ARG B 32 2.883 -15.979 10.140 1.00 0.00 C ATOM 1033 NH1 ARG B 32 3.194 -14.941 9.401 1.00 0.00 N ATOM 1034 NH2 ARG B 32 3.595 -16.246 11.200 1.00 0.00 N ATOM 0 H ARG B 32 -0.065 -16.355 3.879 1.00 0.00 H new ATOM 0 HA ARG B 32 2.440 -17.204 4.814 1.00 0.00 H new ATOM 0 HB2 ARG B 32 0.810 -15.610 5.947 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -0.177 -16.992 6.376 1.00 0.00 H new ATOM 0 HG2 ARG B 32 2.005 -18.001 7.416 1.00 0.00 H new ATOM 0 HG3 ARG B 32 2.673 -16.387 7.276 1.00 0.00 H new ATOM 0 HD2 ARG B 32 0.744 -15.474 8.598 1.00 0.00 H new ATOM 0 HD3 ARG B 32 0.079 -17.089 8.740 1.00 0.00 H new ATOM 0 HE ARG B 32 1.640 -17.570 10.426 1.00 0.00 H new ATOM 0 HH11 ARG B 32 2.645 -14.724 8.569 1.00 0.00 H new ATOM 0 HH12 ARG B 32 3.985 -14.351 9.658 1.00 0.00 H new ATOM 0 HH21 ARG B 32 3.363 -17.052 11.781 1.00 0.00 H new ATOM 0 HH22 ARG B 32 4.384 -15.649 11.448 1.00 0.00 H new ATOM 1048 N ALA B 33 0.079 -19.476 4.789 1.00 0.00 N ATOM 1049 CA ALA B 33 -0.186 -20.900 4.968 1.00 0.00 C ATOM 1050 C ALA B 33 0.793 -21.732 4.146 1.00 0.00 C ATOM 1051 O ALA B 33 1.180 -22.831 4.540 1.00 0.00 O ATOM 1052 CB ALA B 33 -1.615 -21.237 4.533 1.00 0.00 C ATOM 0 H ALA B 33 -0.674 -18.954 4.341 1.00 0.00 H new ATOM 0 HA ALA B 33 -0.063 -21.135 6.025 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -1.796 -22.303 4.673 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -2.323 -20.667 5.135 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -1.745 -20.982 3.481 1.00 0.00 H new ATOM 1058 N LEU B 34 1.189 -21.191 2.997 1.00 0.00 N ATOM 1059 CA LEU B 34 2.127 -21.888 2.121 1.00 0.00 C ATOM 1060 C LEU B 34 3.548 -21.388 2.361 1.00 0.00 C ATOM 1061 O LEU B 34 3.922 -20.305 1.909 1.00 0.00 O ATOM 1062 CB LEU B 34 1.750 -21.664 0.647 1.00 0.00 C ATOM 1063 CG LEU B 34 0.957 -22.864 0.105 1.00 0.00 C ATOM 1064 CD1 LEU B 34 1.815 -24.132 0.176 1.00 0.00 C ATOM 1065 CD2 LEU B 34 -0.320 -23.064 0.930 1.00 0.00 C ATOM 0 H LEU B 34 0.879 -20.282 2.653 1.00 0.00 H new ATOM 0 HA LEU B 34 2.078 -22.953 2.347 1.00 0.00 H new ATOM 0 HB2 LEU B 34 1.156 -20.755 0.552 1.00 0.00 H new ATOM 0 HB3 LEU B 34 2.652 -21.519 0.053 1.00 0.00 H new ATOM 0 HG LEU B 34 0.688 -22.668 -0.933 1.00 0.00 H new ATOM 0 HD11 LEU B 34 1.246 -24.978 -0.210 1.00 0.00 H new ATOM 0 HD12 LEU B 34 2.715 -23.996 -0.423 1.00 0.00 H new ATOM 0 HD13 LEU B 34 2.094 -24.325 1.212 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -0.876 -23.916 0.539 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -0.055 -23.250 1.971 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -0.938 -22.168 0.867 1.00 0.00 H new HETATM 1077 N NH2 B 35 4.374 -22.121 3.055 1.00 0.00 N TER 1080 NH2 B 35