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= -0.0312 K(o=-0.031,f=-1.3) USER MOD Single : A 11 GLN : amide:sc= -0.243 X(o=-0.24,f=-0.039) USER MOD Single : A 12 LYS NZ :NH3+ -158:sc= -0.0352 (180deg=-0.506) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.0554 K(o=-0.055,f=-1.4) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -2.21 X(o=-2.2,f=-1.7) USER MOD Single : A 30 LYS NZ :NH3+ -103:sc= -0.193 (180deg=-0.92) USER MOD Single : A 33 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.075) USER MOD Single : B 6 MET CE :methyl 138:sc= -1.08 (180deg=-5.23!) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 ASN : amide:sc= -0.705 K(o=-0.7,f=-6.3!) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 13 HIS : no HE2:sc= -1.65 K(o=-1.7,f=-7.7!) USER MOD Single : B 14 GLN : amide:sc= -0.236 K(o=-0.24,f=-2.2!) USER MOD Single : B 15 GLN : amide:sc= 0.11 X(o=0.11,f=-0.24) USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 GLN : amide:sc= -0.214 X(o=-0.21,f=-0.57) USER MOD Single : B 24 ASN : amide:sc= -1.85 K(o=-1.8,f=-9.1!) USER MOD Single : B 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 2 2.133 26.189 3.662 1.00 0.00 C HETATM 2 O ACE A 2 1.260 25.325 3.735 1.00 0.00 O HETATM 3 CH3 ACE A 2 1.851 27.630 4.072 1.00 0.00 C HETATM 0 H1 ACE A 2 2.521 27.915 4.883 1.00 0.00 H new HETATM 0 H2 ACE A 2 2.012 28.289 3.219 1.00 0.00 H new HETATM 0 H3 ACE A 2 0.818 27.717 4.408 1.00 0.00 H new ATOM 7 N CYS A 3 3.366 25.942 3.227 1.00 0.00 N ATOM 8 CA CYS A 3 3.759 24.600 2.805 1.00 0.00 C ATOM 9 C CYS A 3 4.883 24.071 3.692 1.00 0.00 C ATOM 10 O CYS A 3 6.061 24.160 3.346 1.00 0.00 O ATOM 11 CB CYS A 3 4.234 24.612 1.351 1.00 0.00 C ATOM 12 SG CYS A 3 2.799 24.539 0.249 1.00 0.00 S ATOM 0 H CYS A 3 4.103 26.644 3.158 1.00 0.00 H new ATOM 0 HA CYS A 3 2.888 23.951 2.895 1.00 0.00 H new ATOM 0 HB2 CYS A 3 4.813 25.514 1.153 1.00 0.00 H new ATOM 0 HB3 CYS A 3 4.893 23.764 1.165 1.00 0.00 H new ATOM 17 N GLY A 4 4.504 23.518 4.841 1.00 0.00 N ATOM 18 CA GLY A 4 5.487 22.975 5.774 1.00 0.00 C ATOM 19 C GLY A 4 4.911 21.786 6.534 1.00 0.00 C ATOM 20 O GLY A 4 4.022 21.936 7.373 1.00 0.00 O ATOM 0 H GLY A 4 3.534 23.434 5.146 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.380 22.667 5.230 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.793 23.749 6.478 1.00 0.00 H new ATOM 24 N GLY A 5 5.430 20.599 6.233 1.00 0.00 N ATOM 25 CA GLY A 5 4.962 19.383 6.893 1.00 0.00 C ATOM 26 C GLY A 5 4.401 18.397 5.875 1.00 0.00 C ATOM 27 O GLY A 5 4.498 17.181 6.048 1.00 0.00 O ATOM 0 H GLY A 5 6.167 20.453 5.544 1.00 0.00 H new ATOM 0 HA2 GLY A 5 5.784 18.921 7.439 1.00 0.00 H new ATOM 0 HA3 GLY A 5 4.194 19.633 7.625 1.00 0.00 H new ATOM 31 N VAL A 6 3.814 18.933 4.809 1.00 0.00 N ATOM 32 CA VAL A 6 3.239 18.093 3.762 1.00 0.00 C ATOM 33 C VAL A 6 4.320 17.233 3.114 1.00 0.00 C ATOM 34 O VAL A 6 4.064 16.111 2.680 1.00 0.00 O ATOM 35 CB VAL A 6 2.573 18.954 2.684 1.00 0.00 C ATOM 36 CG1 VAL A 6 1.810 18.054 1.709 1.00 0.00 C ATOM 37 CG2 VAL A 6 1.597 19.932 3.342 1.00 0.00 C ATOM 0 H VAL A 6 3.724 19.936 4.647 1.00 0.00 H new ATOM 0 HA VAL A 6 2.490 17.449 4.224 1.00 0.00 H new ATOM 0 HB VAL A 6 3.338 19.511 2.143 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.336 18.667 0.942 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.503 17.357 1.239 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.046 17.496 2.251 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.123 20.545 2.575 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.833 19.374 3.884 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.138 20.575 4.036 1.00 0.00 H new ATOM 47 N GLN A 7 5.533 17.775 3.053 1.00 0.00 N ATOM 48 CA GLN A 7 6.651 17.049 2.456 1.00 0.00 C ATOM 49 C GLN A 7 6.929 15.764 3.230 1.00 0.00 C ATOM 50 O GLN A 7 7.340 14.754 2.659 1.00 0.00 O ATOM 51 CB GLN A 7 7.913 17.915 2.459 1.00 0.00 C ATOM 52 CG GLN A 7 7.941 18.781 1.197 1.00 0.00 C ATOM 53 CD GLN A 7 7.304 20.135 1.494 1.00 0.00 C ATOM 54 OE1 GLN A 7 6.086 20.237 1.639 1.00 0.00 O ATOM 55 NE2 GLN A 7 8.064 21.192 1.595 1.00 0.00 N ATOM 0 H GLN A 7 5.766 18.704 3.405 1.00 0.00 H new ATOM 0 HA GLN A 7 6.381 16.802 1.429 1.00 0.00 H new ATOM 0 HB2 GLN A 7 7.931 18.547 3.347 1.00 0.00 H new ATOM 0 HB3 GLN A 7 8.800 17.283 2.499 1.00 0.00 H new ATOM 0 HG2 GLN A 7 8.968 18.917 0.859 1.00 0.00 H new ATOM 0 HG3 GLN A 7 7.403 18.284 0.390 1.00 0.00 H new ATOM 0 HE21 GLN A 7 9.073 21.108 1.475 1.00 0.00 H new ATOM 0 HE22 GLN A 7 7.648 22.102 1.794 1.00 0.00 H new ATOM 64 N ALA A 8 6.694 15.814 4.539 1.00 0.00 N ATOM 65 CA ALA A 8 6.919 14.648 5.388 1.00 0.00 C ATOM 66 C ALA A 8 5.704 13.724 5.359 1.00 0.00 C ATOM 67 O ALA A 8 5.833 12.504 5.450 1.00 0.00 O ATOM 68 CB ALA A 8 7.180 15.080 6.833 1.00 0.00 C ATOM 0 H ALA A 8 6.352 16.640 5.030 1.00 0.00 H new ATOM 0 HA ALA A 8 7.790 14.116 5.004 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.346 14.198 7.452 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.062 15.719 6.868 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.318 15.631 7.209 1.00 0.00 H new ATOM 74 N GLU A 9 4.524 14.323 5.231 1.00 0.00 N ATOM 75 CA GLU A 9 3.287 13.546 5.190 1.00 0.00 C ATOM 76 C GLU A 9 3.138 12.856 3.840 1.00 0.00 C ATOM 77 O GLU A 9 2.792 11.677 3.763 1.00 0.00 O ATOM 78 CB GLU A 9 2.077 14.453 5.422 1.00 0.00 C ATOM 79 CG GLU A 9 1.835 14.608 6.924 1.00 0.00 C ATOM 80 CD GLU A 9 0.433 15.159 7.161 1.00 0.00 C ATOM 81 OE1 GLU A 9 0.235 16.341 6.924 1.00 0.00 O ATOM 82 OE2 GLU A 9 -0.422 14.394 7.573 1.00 0.00 O ATOM 0 H GLU A 9 4.397 15.332 5.155 1.00 0.00 H new ATOM 0 HA GLU A 9 3.334 12.796 5.979 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.249 15.429 4.968 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.195 14.029 4.943 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.947 13.645 7.422 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.578 15.279 7.355 1.00 0.00 H new ATOM 89 N GLU A 10 3.404 13.605 2.773 1.00 0.00 N ATOM 90 CA GLU A 10 3.298 13.058 1.423 1.00 0.00 C ATOM 91 C GLU A 10 4.328 11.952 1.216 1.00 0.00 C ATOM 92 O GLU A 10 4.060 10.954 0.546 1.00 0.00 O ATOM 93 CB GLU A 10 3.526 14.156 0.382 1.00 0.00 C ATOM 94 CG GLU A 10 2.669 13.876 -0.854 1.00 0.00 C ATOM 95 CD GLU A 10 1.347 14.627 -0.738 1.00 0.00 C ATOM 96 OE1 GLU A 10 1.385 15.810 -0.437 1.00 0.00 O ATOM 97 OE2 GLU A 10 0.316 14.011 -0.951 1.00 0.00 O ATOM 0 H GLU A 10 3.692 14.583 2.815 1.00 0.00 H new ATOM 0 HA GLU A 10 2.295 12.648 1.302 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.270 15.129 0.802 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.580 14.196 0.105 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.198 14.187 -1.755 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.484 12.806 -0.947 1.00 0.00 H new ATOM 104 N GLN A 11 5.509 12.143 1.796 1.00 0.00 N ATOM 105 CA GLN A 11 6.577 11.156 1.669 1.00 0.00 C ATOM 106 C GLN A 11 6.229 9.892 2.449 1.00 0.00 C ATOM 107 O GLN A 11 6.548 8.779 2.031 1.00 0.00 O ATOM 108 CB GLN A 11 7.895 11.721 2.199 1.00 0.00 C ATOM 109 CG GLN A 11 8.606 12.491 1.085 1.00 0.00 C ATOM 110 CD GLN A 11 9.835 13.192 1.651 1.00 0.00 C ATOM 111 OE1 GLN A 11 9.833 14.409 1.840 1.00 0.00 O ATOM 112 NE2 GLN A 11 10.897 12.489 1.939 1.00 0.00 N ATOM 0 H GLN A 11 5.750 12.963 2.353 1.00 0.00 H new ATOM 0 HA GLN A 11 6.686 10.913 0.612 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.706 12.379 3.047 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.531 10.912 2.559 1.00 0.00 H new ATOM 0 HG2 GLN A 11 8.899 11.808 0.288 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.928 13.222 0.645 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.899 11.481 1.783 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.724 12.948 2.320 1.00 0.00 H new ATOM 121 N LYS A 12 5.569 10.076 3.588 1.00 0.00 N ATOM 122 CA LYS A 12 5.179 8.944 4.425 1.00 0.00 C ATOM 123 C LYS A 12 4.077 8.136 3.745 1.00 0.00 C ATOM 124 O LYS A 12 4.065 6.906 3.802 1.00 0.00 O ATOM 125 CB LYS A 12 4.674 9.430 5.785 1.00 0.00 C ATOM 126 CG LYS A 12 5.847 9.515 6.763 1.00 0.00 C ATOM 127 CD LYS A 12 5.319 9.441 8.198 1.00 0.00 C ATOM 128 CE LYS A 12 6.497 9.360 9.171 1.00 0.00 C ATOM 129 NZ LYS A 12 7.183 8.046 9.012 1.00 0.00 N ATOM 0 H LYS A 12 5.294 10.989 3.951 1.00 0.00 H new ATOM 0 HA LYS A 12 6.057 8.314 4.570 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.201 10.407 5.682 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.915 8.748 6.168 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.548 8.701 6.579 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.394 10.446 6.612 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.711 10.318 8.419 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.676 8.569 8.316 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.197 10.173 8.980 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.145 9.477 10.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.717 7.826 9.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.475 7.303 8.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.837 8.091 8.204 1.00 0.00 H new ATOM 143 N LEU A 13 3.152 8.842 3.102 1.00 0.00 N ATOM 144 CA LEU A 13 2.045 8.182 2.414 1.00 0.00 C ATOM 145 C LEU A 13 2.564 7.341 1.251 1.00 0.00 C ATOM 146 O LEU A 13 2.210 6.171 1.106 1.00 0.00 O ATOM 147 CB LEU A 13 1.056 9.217 1.877 1.00 0.00 C ATOM 148 CG LEU A 13 0.170 9.719 3.017 1.00 0.00 C ATOM 149 CD1 LEU A 13 -0.249 11.165 2.742 1.00 0.00 C ATOM 150 CD2 LEU A 13 -1.080 8.841 3.119 1.00 0.00 C ATOM 0 H LEU A 13 3.145 9.860 3.042 1.00 0.00 H new ATOM 0 HA LEU A 13 1.541 7.536 3.132 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.595 10.051 1.428 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.441 8.775 1.093 1.00 0.00 H new ATOM 0 HG LEU A 13 0.727 9.672 3.953 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.881 11.522 3.556 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.639 11.793 2.669 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.804 11.211 1.805 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.711 9.200 3.932 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.635 8.887 2.182 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.786 7.810 3.316 1.00 0.00 H new ATOM 162 N ILE A 14 3.409 7.953 0.426 1.00 0.00 N ATOM 163 CA ILE A 14 3.977 7.257 -0.727 1.00 0.00 C ATOM 164 C ILE A 14 4.815 6.065 -0.269 1.00 0.00 C ATOM 165 O ILE A 14 4.658 4.949 -0.766 1.00 0.00 O ATOM 166 CB ILE A 14 4.855 8.210 -1.546 1.00 0.00 C ATOM 167 CG1 ILE A 14 4.021 9.416 -1.984 1.00 0.00 C ATOM 168 CG2 ILE A 14 5.394 7.492 -2.788 1.00 0.00 C ATOM 169 CD1 ILE A 14 4.939 10.617 -2.215 1.00 0.00 C ATOM 0 H ILE A 14 3.714 8.921 0.532 1.00 0.00 H new ATOM 0 HA ILE A 14 3.155 6.901 -1.349 1.00 0.00 H new ATOM 0 HB ILE A 14 5.692 8.540 -0.931 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.476 9.181 -2.898 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.279 9.654 -1.222 1.00 0.00 H new ATOM 0 HG21 ILE A 14 6.016 8.177 -3.363 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.989 6.632 -2.481 1.00 0.00 H new ATOM 0 HG23 ILE A 14 4.560 7.155 -3.404 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.344 11.475 -2.527 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.464 10.856 -1.291 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.664 10.377 -2.993 1.00 0.00 H new ATOM 181 N SER A 15 5.715 6.317 0.677 1.00 0.00 N ATOM 182 CA SER A 15 6.584 5.259 1.188 1.00 0.00 C ATOM 183 C SER A 15 5.759 4.118 1.784 1.00 0.00 C ATOM 184 O SER A 15 6.172 2.958 1.760 1.00 0.00 O ATOM 185 CB SER A 15 7.521 5.809 2.263 1.00 0.00 C ATOM 186 OG SER A 15 8.449 4.800 2.637 1.00 0.00 O ATOM 0 H SER A 15 5.862 7.233 1.102 1.00 0.00 H new ATOM 0 HA SER A 15 7.170 4.879 0.351 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.050 6.685 1.887 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.947 6.132 3.132 1.00 0.00 H new ATOM 0 HG SER A 15 9.053 5.150 3.325 1.00 0.00 H new ATOM 192 N GLU A 16 4.589 4.460 2.316 1.00 0.00 N ATOM 193 CA GLU A 16 3.714 3.456 2.915 1.00 0.00 C ATOM 194 C GLU A 16 3.059 2.605 1.832 1.00 0.00 C ATOM 195 O GLU A 16 3.187 1.379 1.823 1.00 0.00 O ATOM 196 CB GLU A 16 2.620 4.127 3.750 1.00 0.00 C ATOM 197 CG GLU A 16 2.055 3.121 4.754 1.00 0.00 C ATOM 198 CD GLU A 16 1.655 3.848 6.033 1.00 0.00 C ATOM 199 OE1 GLU A 16 2.522 4.067 6.864 1.00 0.00 O ATOM 200 OE2 GLU A 16 0.487 4.176 6.164 1.00 0.00 O ATOM 0 H GLU A 16 4.227 5.413 2.345 1.00 0.00 H new ATOM 0 HA GLU A 16 4.323 2.821 3.558 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.027 4.991 4.275 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.825 4.494 3.100 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.191 2.612 4.327 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.799 2.356 4.976 1.00 0.00 H new ATOM 207 N GLU A 17 2.356 3.268 0.917 1.00 0.00 N ATOM 208 CA GLU A 17 1.680 2.564 -0.170 1.00 0.00 C ATOM 209 C GLU A 17 2.689 1.791 -1.019 1.00 0.00 C ATOM 210 O GLU A 17 2.440 0.655 -1.421 1.00 0.00 O ATOM 211 CB GLU A 17 0.916 3.548 -1.065 1.00 0.00 C ATOM 212 CG GLU A 17 1.879 4.593 -1.635 1.00 0.00 C ATOM 213 CD GLU A 17 1.088 5.650 -2.398 1.00 0.00 C ATOM 214 OE1 GLU A 17 0.061 6.073 -1.893 1.00 0.00 O ATOM 215 OE2 GLU A 17 1.521 6.023 -3.476 1.00 0.00 O ATOM 0 H GLU A 17 2.240 4.281 0.905 1.00 0.00 H new ATOM 0 HA GLU A 17 0.973 1.865 0.277 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.428 3.010 -1.877 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.131 4.040 -0.491 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.446 5.059 -0.829 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.601 4.115 -2.297 1.00 0.00 H new ATOM 222 N ASP A 18 3.832 2.421 -1.282 1.00 0.00 N ATOM 223 CA ASP A 18 4.877 1.784 -2.081 1.00 0.00 C ATOM 224 C ASP A 18 5.359 0.506 -1.403 1.00 0.00 C ATOM 225 O ASP A 18 5.725 -0.465 -2.066 1.00 0.00 O ATOM 226 CB ASP A 18 6.064 2.732 -2.264 1.00 0.00 C ATOM 227 CG ASP A 18 6.834 2.343 -3.522 1.00 0.00 C ATOM 228 OD1 ASP A 18 6.299 2.535 -4.603 1.00 0.00 O ATOM 229 OD2 ASP A 18 7.947 1.863 -3.388 1.00 0.00 O ATOM 0 H ASP A 18 4.057 3.362 -0.958 1.00 0.00 H new ATOM 0 HA ASP A 18 4.455 1.541 -3.056 1.00 0.00 H new ATOM 0 HB2 ASP A 18 5.713 3.761 -2.343 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.719 2.684 -1.394 1.00 0.00 H new ATOM 234 N LEU A 19 5.345 0.512 -0.070 1.00 0.00 N ATOM 235 CA LEU A 19 5.774 -0.661 0.691 1.00 0.00 C ATOM 236 C LEU A 19 4.877 -1.848 0.356 1.00 0.00 C ATOM 237 O LEU A 19 5.346 -2.904 -0.066 1.00 0.00 O ATOM 238 CB LEU A 19 5.701 -0.385 2.195 1.00 0.00 C ATOM 239 CG LEU A 19 6.779 -1.196 2.916 1.00 0.00 C ATOM 240 CD1 LEU A 19 7.085 -0.551 4.269 1.00 0.00 C ATOM 241 CD2 LEU A 19 6.280 -2.626 3.136 1.00 0.00 C ATOM 0 H LEU A 19 5.046 1.304 0.499 1.00 0.00 H new ATOM 0 HA LEU A 19 6.806 -0.887 0.422 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.842 0.679 2.387 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.715 -0.650 2.577 1.00 0.00 H new ATOM 0 HG LEU A 19 7.684 -1.215 2.309 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.853 -1.129 4.782 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.440 0.468 4.114 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.180 -0.531 4.876 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.048 -3.204 3.650 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.374 -2.606 3.742 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.062 -3.087 2.173 1.00 0.00 H new ATOM 253 N LEU A 20 3.575 -1.649 0.533 1.00 0.00 N ATOM 254 CA LEU A 20 2.605 -2.691 0.231 1.00 0.00 C ATOM 255 C LEU A 20 2.505 -2.902 -1.282 1.00 0.00 C ATOM 256 O LEU A 20 2.133 -3.977 -1.749 1.00 0.00 O ATOM 257 CB LEU A 20 1.231 -2.305 0.775 1.00 0.00 C ATOM 258 CG LEU A 20 1.260 -2.322 2.305 1.00 0.00 C ATOM 259 CD1 LEU A 20 0.349 -1.220 2.846 1.00 0.00 C ATOM 260 CD2 LEU A 20 0.770 -3.682 2.808 1.00 0.00 C ATOM 0 H LEU A 20 3.170 -0.780 0.882 1.00 0.00 H new ATOM 0 HA LEU A 20 2.937 -3.615 0.703 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.953 -1.313 0.418 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.475 -3.000 0.408 1.00 0.00 H new ATOM 0 HG LEU A 20 2.279 -2.151 2.651 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.370 -1.233 3.936 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.697 -0.251 2.488 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.671 -1.389 2.501 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.790 -3.696 3.898 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.249 -3.852 2.462 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.420 -4.468 2.423 1.00 0.00 H new ATOM 272 N ARG A 21 2.846 -1.857 -2.045 1.00 0.00 N ATOM 273 CA ARG A 21 2.796 -1.925 -3.506 1.00 0.00 C ATOM 274 C ARG A 21 3.622 -3.102 -4.025 1.00 0.00 C ATOM 275 O ARG A 21 3.103 -3.993 -4.701 1.00 0.00 O ATOM 276 CB ARG A 21 3.346 -0.632 -4.112 1.00 0.00 C ATOM 277 CG ARG A 21 2.890 -0.507 -5.566 1.00 0.00 C ATOM 278 CD ARG A 21 1.538 0.211 -5.627 1.00 0.00 C ATOM 279 NE ARG A 21 1.522 1.185 -6.721 1.00 0.00 N ATOM 280 CZ ARG A 21 1.340 0.819 -7.999 1.00 0.00 C ATOM 281 NH1 ARG A 21 1.171 -0.438 -8.331 1.00 0.00 N ATOM 282 NH2 ARG A 21 1.333 1.733 -8.930 1.00 0.00 N ATOM 0 H ARG A 21 3.158 -0.959 -1.675 1.00 0.00 H new ATOM 0 HA ARG A 21 1.755 -2.060 -3.799 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.999 0.226 -3.537 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.435 -0.630 -4.061 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.632 0.045 -6.143 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.807 -1.496 -6.017 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.739 -0.517 -5.769 1.00 0.00 H new ATOM 0 HD3 ARG A 21 1.345 0.716 -4.680 1.00 0.00 H new ATOM 0 HE ARG A 21 1.653 2.173 -6.504 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.176 -1.161 -7.611 1.00 0.00 H new ATOM 0 HH12 ARG A 21 1.034 -0.693 -9.309 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.465 2.714 -8.683 1.00 0.00 H new ATOM 0 HH22 ARG A 21 1.196 1.467 -9.905 1.00 0.00 H new ATOM 296 N LYS A 22 4.911 -3.094 -3.701 1.00 0.00 N ATOM 297 CA LYS A 22 5.804 -4.163 -4.139 1.00 0.00 C ATOM 298 C LYS A 22 5.419 -5.481 -3.476 1.00 0.00 C ATOM 299 O LYS A 22 5.495 -6.547 -4.086 1.00 0.00 O ATOM 300 CB LYS A 22 7.255 -3.831 -3.783 1.00 0.00 C ATOM 301 CG LYS A 22 8.196 -4.701 -4.617 1.00 0.00 C ATOM 302 CD LYS A 22 9.475 -3.920 -4.926 1.00 0.00 C ATOM 303 CE LYS A 22 9.199 -2.915 -6.045 1.00 0.00 C ATOM 304 NZ LYS A 22 10.450 -2.679 -6.822 1.00 0.00 N ATOM 0 H LYS A 22 5.358 -2.367 -3.142 1.00 0.00 H new ATOM 0 HA LYS A 22 5.710 -4.258 -5.221 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.455 -2.776 -3.972 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.429 -4.003 -2.721 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.438 -5.616 -4.076 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.707 -4.999 -5.544 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.822 -3.400 -4.033 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.269 -4.604 -5.225 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.416 -3.293 -6.702 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.837 -1.977 -5.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.262 -1.995 -7.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.185 -2.301 -6.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.777 -3.576 -7.235 1.00 0.00 H new ATOM 318 N ARG A 23 5.005 -5.396 -2.214 1.00 0.00 N ATOM 319 CA ARG A 23 4.609 -6.589 -1.470 1.00 0.00 C ATOM 320 C ARG A 23 3.371 -7.222 -2.097 1.00 0.00 C ATOM 321 O ARG A 23 3.200 -8.441 -2.075 1.00 0.00 O ATOM 322 CB ARG A 23 4.303 -6.233 -0.014 1.00 0.00 C ATOM 323 CG ARG A 23 4.506 -7.468 0.866 1.00 0.00 C ATOM 324 CD ARG A 23 4.097 -7.142 2.304 1.00 0.00 C ATOM 325 NE ARG A 23 4.206 -8.331 3.154 1.00 0.00 N ATOM 326 CZ ARG A 23 3.929 -8.296 4.465 1.00 0.00 C ATOM 327 NH1 ARG A 23 3.544 -7.187 5.050 1.00 0.00 N ATOM 328 NH2 ARG A 23 4.043 -9.388 5.173 1.00 0.00 N ATOM 0 H ARG A 23 4.935 -4.524 -1.690 1.00 0.00 H new ATOM 0 HA ARG A 23 5.436 -7.298 -1.505 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.955 -5.425 0.319 1.00 0.00 H new ATOM 0 HB3 ARG A 23 3.278 -5.873 0.076 1.00 0.00 H new ATOM 0 HG2 ARG A 23 3.912 -8.299 0.487 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.549 -7.782 0.836 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.732 -6.348 2.697 1.00 0.00 H new ATOM 0 HD3 ARG A 23 3.073 -6.769 2.321 1.00 0.00 H new ATOM 0 HE ARG A 23 4.502 -9.213 2.735 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.450 -6.329 4.506 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.338 -7.182 6.049 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.340 -10.256 4.727 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.835 -9.373 6.171 1.00 0.00 H new ATOM 342 N ARG A 24 2.510 -6.378 -2.659 1.00 0.00 N ATOM 343 CA ARG A 24 1.286 -6.862 -3.292 1.00 0.00 C ATOM 344 C ARG A 24 1.611 -7.638 -4.564 1.00 0.00 C ATOM 345 O ARG A 24 1.038 -8.695 -4.829 1.00 0.00 O ATOM 346 CB ARG A 24 0.365 -5.692 -3.645 1.00 0.00 C ATOM 347 CG ARG A 24 -0.999 -6.227 -4.083 1.00 0.00 C ATOM 348 CD ARG A 24 -2.017 -5.087 -4.089 1.00 0.00 C ATOM 349 NE ARG A 24 -1.763 -4.174 -5.208 1.00 0.00 N ATOM 350 CZ ARG A 24 -2.118 -4.472 -6.466 1.00 0.00 C ATOM 351 NH1 ARG A 24 -2.712 -5.606 -6.755 1.00 0.00 N ATOM 352 NH2 ARG A 24 -1.868 -3.620 -7.422 1.00 0.00 N ATOM 0 H ARG A 24 2.634 -5.366 -2.690 1.00 0.00 H new ATOM 0 HA ARG A 24 0.782 -7.520 -2.584 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.249 -5.034 -2.784 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.807 -5.096 -4.444 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.926 -6.669 -5.077 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.326 -7.017 -3.407 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.026 -5.493 -4.166 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -1.964 -4.540 -3.147 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.301 -3.283 -5.023 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.912 -6.280 -6.016 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.974 -5.813 -7.719 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.406 -2.736 -7.209 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.134 -3.838 -8.382 1.00 0.00 H new ATOM 366 N GLU A 25 2.541 -7.100 -5.350 1.00 0.00 N ATOM 367 CA GLU A 25 2.941 -7.748 -6.597 1.00 0.00 C ATOM 368 C GLU A 25 3.520 -9.132 -6.321 1.00 0.00 C ATOM 369 O GLU A 25 3.065 -10.133 -6.874 1.00 0.00 O ATOM 370 CB GLU A 25 3.992 -6.905 -7.324 1.00 0.00 C ATOM 371 CG GLU A 25 3.296 -5.854 -8.190 1.00 0.00 C ATOM 372 CD GLU A 25 4.153 -5.557 -9.415 1.00 0.00 C ATOM 373 OE1 GLU A 25 4.092 -6.328 -10.358 1.00 0.00 O ATOM 374 OE2 GLU A 25 4.859 -4.561 -9.391 1.00 0.00 O ATOM 0 H GLU A 25 3.027 -6.226 -5.149 1.00 0.00 H new ATOM 0 HA GLU A 25 2.054 -7.845 -7.223 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.647 -6.419 -6.601 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.620 -7.544 -7.944 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.314 -6.213 -8.498 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.136 -4.942 -7.615 1.00 0.00 H new ATOM 381 N GLN A 26 4.532 -9.175 -5.458 1.00 0.00 N ATOM 382 CA GLN A 26 5.173 -10.442 -5.110 1.00 0.00 C ATOM 383 C GLN A 26 4.166 -11.398 -4.477 1.00 0.00 C ATOM 384 O GLN A 26 4.265 -12.615 -4.627 1.00 0.00 O ATOM 385 CB GLN A 26 6.322 -10.208 -4.128 1.00 0.00 C ATOM 386 CG GLN A 26 7.550 -9.706 -4.889 1.00 0.00 C ATOM 387 CD GLN A 26 8.346 -10.895 -5.415 1.00 0.00 C ATOM 388 OE1 GLN A 26 7.943 -11.541 -6.383 1.00 0.00 O ATOM 389 NE2 GLN A 26 9.463 -11.227 -4.829 1.00 0.00 N ATOM 0 H GLN A 26 4.923 -8.357 -4.991 1.00 0.00 H new ATOM 0 HA GLN A 26 5.562 -10.883 -6.028 1.00 0.00 H new ATOM 0 HB2 GLN A 26 6.026 -9.480 -3.373 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.560 -11.133 -3.603 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.242 -9.067 -5.716 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.174 -9.099 -4.233 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.797 -10.692 -4.027 1.00 0.00 H new ATOM 0 HE22 GLN A 26 10.003 -12.022 -5.172 1.00 0.00 H new ATOM 398 N LEU A 27 3.195 -10.831 -3.766 1.00 0.00 N ATOM 399 CA LEU A 27 2.172 -11.641 -3.110 1.00 0.00 C ATOM 400 C LEU A 27 1.274 -12.308 -4.147 1.00 0.00 C ATOM 401 O LEU A 27 1.003 -13.508 -4.076 1.00 0.00 O ATOM 402 CB LEU A 27 1.309 -10.773 -2.192 1.00 0.00 C ATOM 403 CG LEU A 27 1.953 -10.698 -0.806 1.00 0.00 C ATOM 404 CD1 LEU A 27 1.351 -9.527 -0.026 1.00 0.00 C ATOM 405 CD2 LEU A 27 1.687 -12.003 -0.052 1.00 0.00 C ATOM 0 H LEU A 27 3.095 -9.825 -3.630 1.00 0.00 H new ATOM 0 HA LEU A 27 2.677 -12.405 -2.519 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.206 -9.772 -2.611 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.305 -11.192 -2.116 1.00 0.00 H new ATOM 0 HG LEU A 27 3.028 -10.549 -0.911 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.810 -9.473 0.961 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.538 -8.597 -0.564 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.276 -9.675 0.081 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.145 -11.952 0.936 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.612 -12.150 0.053 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.114 -12.838 -0.607 1.00 0.00 H new ATOM 417 N LYS A 28 0.815 -11.515 -5.110 1.00 0.00 N ATOM 418 CA LYS A 28 -0.057 -12.034 -6.161 1.00 0.00 C ATOM 419 C LYS A 28 0.706 -12.981 -7.084 1.00 0.00 C ATOM 420 O LYS A 28 0.122 -13.882 -7.686 1.00 0.00 O ATOM 421 CB LYS A 28 -0.632 -10.884 -6.993 1.00 0.00 C ATOM 422 CG LYS A 28 -1.943 -10.407 -6.367 1.00 0.00 C ATOM 423 CD LYS A 28 -2.540 -9.289 -7.223 1.00 0.00 C ATOM 424 CE LYS A 28 -3.131 -9.885 -8.502 1.00 0.00 C ATOM 425 NZ LYS A 28 -3.812 -8.813 -9.281 1.00 0.00 N ATOM 0 H LYS A 28 1.029 -10.521 -5.186 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.868 -12.580 -5.679 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.082 -10.062 -7.038 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.805 -11.213 -8.018 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.646 -11.237 -6.292 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.765 -10.048 -5.353 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.313 -8.762 -6.664 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.771 -8.557 -7.472 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.343 -10.340 -9.102 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.840 -10.675 -8.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.214 -9.218 -10.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.574 -8.398 -8.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.124 -8.074 -9.529 1.00 0.00 H new ATOM 439 N HIS A 29 2.015 -12.766 -7.198 1.00 0.00 N ATOM 440 CA HIS A 29 2.842 -13.609 -8.060 1.00 0.00 C ATOM 441 C HIS A 29 3.027 -14.993 -7.448 1.00 0.00 C ATOM 442 O HIS A 29 2.655 -16.002 -8.044 1.00 0.00 O ATOM 443 CB HIS A 29 4.216 -12.971 -8.273 1.00 0.00 C ATOM 444 CG HIS A 29 4.058 -11.658 -8.988 1.00 0.00 C ATOM 445 ND1 HIS A 29 3.015 -11.414 -9.868 1.00 0.00 N ATOM 446 CD2 HIS A 29 4.805 -10.505 -8.964 1.00 0.00 C ATOM 447 CE1 HIS A 29 3.162 -10.160 -10.334 1.00 0.00 C ATOM 448 NE2 HIS A 29 4.237 -9.562 -9.813 1.00 0.00 N ATOM 0 H HIS A 29 2.521 -12.026 -6.712 1.00 0.00 H new ATOM 0 HA HIS A 29 2.331 -13.706 -9.018 1.00 0.00 H new ATOM 0 HB2 HIS A 29 4.709 -12.817 -7.313 1.00 0.00 H new ATOM 0 HB3 HIS A 29 4.852 -13.639 -8.854 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.698 -10.354 -8.375 1.00 0.00 H new ATOM 0 HE1 HIS A 29 2.493 -9.694 -11.042 1.00 0.00 H new ATOM 0 HE2 HIS A 29 4.570 -8.616 -9.998 1.00 0.00 H new ATOM 456 N LYS A 30 3.612 -15.033 -6.251 1.00 0.00 N ATOM 457 CA LYS A 30 3.853 -16.305 -5.564 1.00 0.00 C ATOM 458 C LYS A 30 2.571 -17.136 -5.457 1.00 0.00 C ATOM 459 O LYS A 30 2.620 -18.360 -5.340 1.00 0.00 O ATOM 460 CB LYS A 30 4.412 -16.061 -4.158 1.00 0.00 C ATOM 461 CG LYS A 30 3.435 -15.202 -3.350 1.00 0.00 C ATOM 462 CD LYS A 30 4.152 -14.624 -2.125 1.00 0.00 C ATOM 463 CE LYS A 30 4.569 -15.761 -1.188 1.00 0.00 C ATOM 464 NZ LYS A 30 5.982 -16.144 -1.472 1.00 0.00 N ATOM 0 H LYS A 30 3.926 -14.208 -5.739 1.00 0.00 H new ATOM 0 HA LYS A 30 4.581 -16.859 -6.157 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.577 -17.013 -3.653 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.379 -15.563 -4.223 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.045 -14.395 -3.970 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.582 -15.802 -3.035 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.029 -14.058 -2.438 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.495 -13.930 -1.601 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.468 -15.447 -0.149 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.913 -16.620 -1.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.999 -17.027 -2.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.444 -15.388 -2.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.490 -16.285 -0.576 1.00 0.00 H new ATOM 478 N LEU A 31 1.424 -16.462 -5.499 1.00 0.00 N ATOM 479 CA LEU A 31 0.144 -17.157 -5.406 1.00 0.00 C ATOM 480 C LEU A 31 -0.424 -17.420 -6.798 1.00 0.00 C ATOM 481 O LEU A 31 -1.001 -18.475 -7.061 1.00 0.00 O ATOM 482 CB LEU A 31 -0.861 -16.321 -4.608 1.00 0.00 C ATOM 483 CG LEU A 31 -1.771 -17.247 -3.799 1.00 0.00 C ATOM 484 CD1 LEU A 31 -2.205 -16.542 -2.513 1.00 0.00 C ATOM 485 CD2 LEU A 31 -3.008 -17.599 -4.631 1.00 0.00 C ATOM 0 H LEU A 31 1.355 -15.449 -5.596 1.00 0.00 H new ATOM 0 HA LEU A 31 0.313 -18.106 -4.898 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.334 -15.639 -3.941 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.457 -15.708 -5.284 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.230 -18.159 -3.547 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.853 -17.202 -1.937 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.325 -16.291 -1.921 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.746 -15.630 -2.763 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.658 -18.259 -4.056 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.549 -16.687 -4.883 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.699 -18.102 -5.547 1.00 0.00 H new ATOM 497 N GLU A 32 -0.263 -16.440 -7.685 1.00 0.00 N ATOM 498 CA GLU A 32 -0.772 -16.568 -9.049 1.00 0.00 C ATOM 499 C GLU A 32 0.346 -16.953 -10.018 1.00 0.00 C ATOM 500 O GLU A 32 0.357 -16.526 -11.174 1.00 0.00 O ATOM 501 CB GLU A 32 -1.401 -15.252 -9.510 1.00 0.00 C ATOM 502 CG GLU A 32 -2.525 -15.542 -10.505 1.00 0.00 C ATOM 503 CD GLU A 32 -3.776 -15.977 -9.748 1.00 0.00 C ATOM 504 OE1 GLU A 32 -3.777 -17.082 -9.232 1.00 0.00 O ATOM 505 OE2 GLU A 32 -4.714 -15.198 -9.697 1.00 0.00 O ATOM 0 H GLU A 32 0.210 -15.558 -7.487 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.527 -17.354 -9.047 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.793 -14.704 -8.653 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.645 -14.619 -9.974 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.737 -14.653 -11.099 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.217 -16.324 -11.200 1.00 0.00 H new ATOM 512 N GLN A 33 1.282 -17.769 -9.541 1.00 0.00 N ATOM 513 CA GLN A 33 2.393 -18.208 -10.384 1.00 0.00 C ATOM 514 C GLN A 33 2.114 -19.596 -10.959 1.00 0.00 C ATOM 515 O GLN A 33 3.019 -20.420 -11.102 1.00 0.00 O ATOM 516 CB GLN A 33 3.698 -18.254 -9.583 1.00 0.00 C ATOM 517 CG GLN A 33 3.490 -19.078 -8.311 1.00 0.00 C ATOM 518 CD GLN A 33 4.797 -19.766 -7.931 1.00 0.00 C ATOM 519 OE1 GLN A 33 5.326 -19.551 -6.840 1.00 0.00 O ATOM 520 NE2 GLN A 33 5.356 -20.590 -8.776 1.00 0.00 N ATOM 0 H GLN A 33 1.296 -18.136 -8.589 1.00 0.00 H new ATOM 0 HA GLN A 33 2.495 -17.490 -11.198 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.492 -18.693 -10.187 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.015 -17.243 -9.326 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.156 -18.433 -7.498 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.708 -19.821 -8.470 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.918 -20.768 -9.680 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.230 -21.055 -8.532 1.00 0.00 H new ATOM 529 N LEU A 34 0.850 -19.846 -11.289 1.00 0.00 N ATOM 530 CA LEU A 34 0.460 -21.138 -11.849 1.00 0.00 C ATOM 531 C LEU A 34 -0.209 -20.949 -13.206 1.00 0.00 C ATOM 532 O LEU A 34 -0.028 -21.756 -14.119 1.00 0.00 O ATOM 533 CB LEU A 34 -0.511 -21.859 -10.913 1.00 0.00 C ATOM 534 CG LEU A 34 0.267 -22.491 -9.759 1.00 0.00 C ATOM 535 CD1 LEU A 34 0.317 -21.516 -8.581 1.00 0.00 C ATOM 536 CD2 LEU A 34 -0.429 -23.782 -9.323 1.00 0.00 C ATOM 0 H LEU A 34 0.085 -19.180 -11.180 1.00 0.00 H new ATOM 0 HA LEU A 34 1.362 -21.738 -11.967 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.249 -21.156 -10.526 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.058 -22.627 -11.460 1.00 0.00 H new ATOM 0 HG LEU A 34 1.282 -22.717 -10.086 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.872 -21.967 -7.758 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.812 -20.596 -8.891 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.697 -21.289 -8.253 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.125 -24.234 -8.500 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.444 -23.556 -8.996 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.464 -24.477 -10.162 1.00 0.00 H new HETATM 548 N NH2 A 35 -0.983 -19.916 -13.399 1.00 0.00 N TER 551 NH2 A 35 HETATM 552 C ACE B 2 3.205 22.066 -5.263 1.00 0.00 C HETATM 553 O ACE B 2 2.317 21.214 -5.301 1.00 0.00 O HETATM 554 CH3 ACE B 2 4.460 21.932 -6.119 1.00 0.00 C HETATM 0 H1 ACE B 2 4.537 22.789 -6.788 1.00 0.00 H new HETATM 0 H2 ACE B 2 5.338 21.895 -5.474 1.00 0.00 H new HETATM 0 H3 ACE B 2 4.403 21.016 -6.707 1.00 0.00 H new ATOM 558 N CYS B 3 3.143 23.146 -4.490 1.00 0.00 N ATOM 559 CA CYS B 3 1.991 23.386 -3.625 1.00 0.00 C ATOM 560 C CYS B 3 0.742 23.639 -4.460 1.00 0.00 C ATOM 561 O CYS B 3 0.507 24.752 -4.933 1.00 0.00 O ATOM 562 CB CYS B 3 2.243 24.597 -2.724 1.00 0.00 C ATOM 563 SG CYS B 3 3.598 24.230 -1.581 1.00 0.00 S ATOM 0 H CYS B 3 3.868 23.862 -4.444 1.00 0.00 H new ATOM 0 HA CYS B 3 1.842 22.500 -3.009 1.00 0.00 H new ATOM 0 HB2 CYS B 3 2.490 25.469 -3.330 1.00 0.00 H new ATOM 0 HB3 CYS B 3 1.339 24.843 -2.166 1.00 0.00 H new ATOM 568 N GLY B 4 -0.060 22.591 -4.637 1.00 0.00 N ATOM 569 CA GLY B 4 -1.288 22.708 -5.418 1.00 0.00 C ATOM 570 C GLY B 4 -2.318 21.680 -4.963 1.00 0.00 C ATOM 571 O GLY B 4 -3.251 21.999 -4.228 1.00 0.00 O ATOM 0 H GLY B 4 0.116 21.662 -4.255 1.00 0.00 H new ATOM 0 HA2 GLY B 4 -1.698 23.712 -5.311 1.00 0.00 H new ATOM 0 HA3 GLY B 4 -1.067 22.565 -6.476 1.00 0.00 H new ATOM 575 N GLY B 5 -2.137 20.441 -5.412 1.00 0.00 N ATOM 576 CA GLY B 5 -3.057 19.367 -5.047 1.00 0.00 C ATOM 577 C GLY B 5 -2.558 18.623 -3.813 1.00 0.00 C ATOM 578 O GLY B 5 -2.032 17.515 -3.911 1.00 0.00 O ATOM 0 H GLY B 5 -1.371 20.157 -6.022 1.00 0.00 H new ATOM 0 HA2 GLY B 5 -4.047 19.780 -4.853 1.00 0.00 H new ATOM 0 HA3 GLY B 5 -3.160 18.671 -5.880 1.00 0.00 H new ATOM 582 N MET B 6 -2.730 19.246 -2.651 1.00 0.00 N ATOM 583 CA MET B 6 -2.295 18.635 -1.399 1.00 0.00 C ATOM 584 C MET B 6 -3.344 17.652 -0.892 1.00 0.00 C ATOM 585 O MET B 6 -3.066 16.469 -0.691 1.00 0.00 O ATOM 586 CB MET B 6 -2.058 19.706 -0.332 1.00 0.00 C ATOM 587 CG MET B 6 -0.663 20.307 -0.510 1.00 0.00 C ATOM 588 SD MET B 6 -0.655 22.008 0.108 1.00 0.00 S ATOM 589 CE MET B 6 -1.087 21.626 1.825 1.00 0.00 C ATOM 0 H MET B 6 -3.163 20.164 -2.550 1.00 0.00 H new ATOM 0 HA MET B 6 -1.363 18.104 -1.592 1.00 0.00 H new ATOM 0 HB2 MET B 6 -2.814 20.487 -0.412 1.00 0.00 H new ATOM 0 HB3 MET B 6 -2.153 19.270 0.663 1.00 0.00 H new ATOM 0 HG2 MET B 6 0.073 19.710 0.028 1.00 0.00 H new ATOM 0 HG3 MET B 6 -0.380 20.290 -1.562 1.00 0.00 H new ATOM 0 HE1 MET B 6 -0.480 22.233 2.497 1.00 0.00 H new ATOM 0 HE2 MET B 6 -2.142 21.844 1.992 1.00 0.00 H new ATOM 0 HE3 MET B 6 -0.899 20.570 2.021 1.00 0.00 H new ATOM 599 N ARG B 7 -4.558 18.156 -0.687 1.00 0.00 N ATOM 600 CA ARG B 7 -5.651 17.317 -0.201 1.00 0.00 C ATOM 601 C ARG B 7 -5.998 16.248 -1.232 1.00 0.00 C ATOM 602 O ARG B 7 -6.374 15.128 -0.885 1.00 0.00 O ATOM 603 CB ARG B 7 -6.894 18.163 0.078 1.00 0.00 C ATOM 604 CG ARG B 7 -6.547 19.269 1.076 1.00 0.00 C ATOM 605 CD ARG B 7 -7.500 20.450 0.881 1.00 0.00 C ATOM 606 NE ARG B 7 -7.109 21.242 -0.287 1.00 0.00 N ATOM 607 CZ ARG B 7 -7.632 22.452 -0.536 1.00 0.00 C ATOM 608 NH1 ARG B 7 -8.524 22.984 0.264 1.00 0.00 N ATOM 609 NH2 ARG B 7 -7.246 23.111 -1.594 1.00 0.00 N ATOM 0 H ARG B 7 -4.809 19.131 -0.848 1.00 0.00 H new ATOM 0 HA ARG B 7 -5.324 16.840 0.723 1.00 0.00 H new ATOM 0 HB2 ARG B 7 -7.265 18.599 -0.849 1.00 0.00 H new ATOM 0 HB3 ARG B 7 -7.691 17.536 0.477 1.00 0.00 H new ATOM 0 HG2 ARG B 7 -6.624 18.891 2.095 1.00 0.00 H new ATOM 0 HG3 ARG B 7 -5.516 19.592 0.933 1.00 0.00 H new ATOM 0 HD2 ARG B 7 -8.519 20.085 0.754 1.00 0.00 H new ATOM 0 HD3 ARG B 7 -7.495 21.079 1.771 1.00 0.00 H new ATOM 0 HE ARG B 7 -6.417 20.861 -0.932 1.00 0.00 H new ATOM 0 HH11 ARG B 7 -8.832 22.477 1.093 1.00 0.00 H new ATOM 0 HH12 ARG B 7 -8.910 23.905 0.057 1.00 0.00 H new ATOM 0 HH21 ARG B 7 -6.553 22.705 -2.223 1.00 0.00 H new ATOM 0 HH22 ARG B 7 -7.638 24.032 -1.792 1.00 0.00 H new ATOM 623 N ARG B 8 -5.868 16.607 -2.506 1.00 0.00 N ATOM 624 CA ARG B 8 -6.172 15.672 -3.586 1.00 0.00 C ATOM 625 C ARG B 8 -5.197 14.500 -3.568 1.00 0.00 C ATOM 626 O ARG B 8 -5.602 13.337 -3.543 1.00 0.00 O ATOM 627 CB ARG B 8 -6.080 16.375 -4.942 1.00 0.00 C ATOM 628 CG ARG B 8 -6.937 15.627 -5.965 1.00 0.00 C ATOM 629 CD ARG B 8 -6.106 14.523 -6.621 1.00 0.00 C ATOM 630 NE ARG B 8 -4.888 15.078 -7.217 1.00 0.00 N ATOM 631 CZ ARG B 8 -4.909 15.795 -8.350 1.00 0.00 C ATOM 632 NH1 ARG B 8 -6.034 16.032 -8.984 1.00 0.00 N ATOM 633 NH2 ARG B 8 -3.792 16.264 -8.834 1.00 0.00 N ATOM 0 H ARG B 8 -5.558 17.528 -2.814 1.00 0.00 H new ATOM 0 HA ARG B 8 -7.186 15.302 -3.435 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -6.420 17.407 -4.852 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -5.043 16.409 -5.276 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -7.811 15.197 -5.477 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -7.304 16.319 -6.723 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -5.843 13.769 -5.879 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -6.697 14.023 -7.388 1.00 0.00 H new ATOM 0 HE ARG B 8 -3.994 14.913 -6.754 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -6.913 15.668 -8.616 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -6.029 16.580 -9.844 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -2.912 16.084 -8.351 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -3.799 16.810 -9.695 1.00 0.00 H new ATOM 647 N LYS B 9 -3.906 14.818 -3.581 1.00 0.00 N ATOM 648 CA LYS B 9 -2.874 13.784 -3.567 1.00 0.00 C ATOM 649 C LYS B 9 -2.965 12.955 -2.289 1.00 0.00 C ATOM 650 O LYS B 9 -2.826 11.733 -2.314 1.00 0.00 O ATOM 651 CB LYS B 9 -1.484 14.413 -3.657 1.00 0.00 C ATOM 652 CG LYS B 9 -0.505 13.404 -4.261 1.00 0.00 C ATOM 653 CD LYS B 9 0.925 13.927 -4.110 1.00 0.00 C ATOM 654 CE LYS B 9 1.762 13.479 -5.310 1.00 0.00 C ATOM 655 NZ LYS B 9 3.081 14.174 -5.284 1.00 0.00 N ATOM 0 H LYS B 9 -3.551 15.774 -3.601 1.00 0.00 H new ATOM 0 HA LYS B 9 -3.035 13.138 -4.430 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -1.520 15.313 -4.271 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -1.145 14.716 -2.666 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -0.606 12.440 -3.762 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -0.735 13.243 -5.314 1.00 0.00 H new ATOM 0 HD2 LYS B 9 0.920 15.015 -4.042 1.00 0.00 H new ATOM 0 HD3 LYS B 9 1.365 13.552 -3.186 1.00 0.00 H new ATOM 0 HE2 LYS B 9 1.907 12.399 -5.283 1.00 0.00 H new ATOM 0 HE3 LYS B 9 1.237 13.706 -6.238 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 3.650 13.870 -6.100 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 2.933 15.202 -5.330 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 3.582 13.936 -4.404 1.00 0.00 H new ATOM 669 N ASN B 10 -3.198 13.638 -1.172 1.00 0.00 N ATOM 670 CA ASN B 10 -3.304 12.956 0.117 1.00 0.00 C ATOM 671 C ASN B 10 -4.560 12.089 0.165 1.00 0.00 C ATOM 672 O ASN B 10 -4.589 11.053 0.828 1.00 0.00 O ATOM 673 CB ASN B 10 -3.357 13.973 1.259 1.00 0.00 C ATOM 674 CG ASN B 10 -1.947 14.464 1.569 1.00 0.00 C ATOM 675 OD1 ASN B 10 -1.103 13.696 2.032 1.00 0.00 O ATOM 676 ND2 ASN B 10 -1.639 15.711 1.341 1.00 0.00 N ATOM 0 H ASN B 10 -3.316 14.650 -1.131 1.00 0.00 H new ATOM 0 HA ASN B 10 -2.424 12.324 0.233 1.00 0.00 H new ATOM 0 HB2 ASN B 10 -3.994 14.813 0.982 1.00 0.00 H new ATOM 0 HB3 ASN B 10 -3.798 13.517 2.146 1.00 0.00 H new ATOM 0 HD21 ASN B 10 -0.699 16.050 1.546 1.00 0.00 H new ATOM 0 HD22 ASN B 10 -2.338 16.347 0.957 1.00 0.00 H new ATOM 683 N ASP B 11 -5.598 12.526 -0.544 1.00 0.00 N ATOM 684 CA ASP B 11 -6.856 11.781 -0.576 1.00 0.00 C ATOM 685 C ASP B 11 -6.637 10.383 -1.147 1.00 0.00 C ATOM 686 O ASP B 11 -6.883 9.378 -0.480 1.00 0.00 O ATOM 687 CB ASP B 11 -7.890 12.512 -1.434 1.00 0.00 C ATOM 688 CG ASP B 11 -9.253 11.850 -1.264 1.00 0.00 C ATOM 689 OD1 ASP B 11 -9.702 11.746 -0.134 1.00 0.00 O ATOM 690 OD2 ASP B 11 -9.827 11.457 -2.265 1.00 0.00 O ATOM 0 H ASP B 11 -5.595 13.382 -1.099 1.00 0.00 H new ATOM 0 HA ASP B 11 -7.223 11.701 0.447 1.00 0.00 H new ATOM 0 HB2 ASP B 11 -7.944 13.561 -1.142 1.00 0.00 H new ATOM 0 HB3 ASP B 11 -7.591 12.488 -2.482 1.00 0.00 H new ATOM 695 N THR B 12 -6.170 10.332 -2.391 1.00 0.00 N ATOM 696 CA THR B 12 -5.919 9.051 -3.050 1.00 0.00 C ATOM 697 C THR B 12 -4.871 8.249 -2.281 1.00 0.00 C ATOM 698 O THR B 12 -4.909 7.018 -2.253 1.00 0.00 O ATOM 699 CB THR B 12 -5.425 9.274 -4.484 1.00 0.00 C ATOM 700 OG1 THR B 12 -5.110 8.020 -5.072 1.00 0.00 O ATOM 701 CG2 THR B 12 -4.178 10.162 -4.472 1.00 0.00 C ATOM 0 H THR B 12 -5.959 11.152 -2.959 1.00 0.00 H new ATOM 0 HA THR B 12 -6.856 8.495 -3.071 1.00 0.00 H new ATOM 0 HB THR B 12 -6.207 9.765 -5.064 1.00 0.00 H new ATOM 0 HG1 THR B 12 -4.795 8.159 -5.990 1.00 0.00 H new ATOM 0 HG21 THR B 12 -3.832 10.317 -5.494 1.00 0.00 H new ATOM 0 HG22 THR B 12 -4.421 11.124 -4.021 1.00 0.00 H new ATOM 0 HG23 THR B 12 -3.392 9.678 -3.892 1.00 0.00 H new ATOM 709 N HIS B 13 -3.939 8.962 -1.659 1.00 0.00 N ATOM 710 CA HIS B 13 -2.879 8.313 -0.888 1.00 0.00 C ATOM 711 C HIS B 13 -3.471 7.495 0.256 1.00 0.00 C ATOM 712 O HIS B 13 -2.932 6.460 0.643 1.00 0.00 O ATOM 713 CB HIS B 13 -1.923 9.359 -0.308 1.00 0.00 C ATOM 714 CG HIS B 13 -0.840 9.659 -1.307 1.00 0.00 C ATOM 715 ND1 HIS B 13 -0.175 8.660 -1.999 1.00 0.00 N ATOM 716 CD2 HIS B 13 -0.293 10.842 -1.738 1.00 0.00 C ATOM 717 CE1 HIS B 13 0.727 9.255 -2.802 1.00 0.00 C ATOM 718 NE2 HIS B 13 0.696 10.584 -2.683 1.00 0.00 N ATOM 0 H HIS B 13 -3.893 9.981 -1.671 1.00 0.00 H new ATOM 0 HA HIS B 13 -2.333 7.652 -1.561 1.00 0.00 H new ATOM 0 HB2 HIS B 13 -2.469 10.270 -0.064 1.00 0.00 H new ATOM 0 HB3 HIS B 13 -1.485 8.991 0.620 1.00 0.00 H new ATOM 0 HD1 HIS B 13 -0.339 7.657 -1.915 1.00 0.00 H new ATOM 0 HD2 HIS B 13 -0.586 11.824 -1.396 1.00 0.00 H new ATOM 0 HE1 HIS B 13 1.395 8.722 -3.462 1.00 0.00 H new ATOM 726 N GLN B 14 -4.589 7.977 0.795 1.00 0.00 N ATOM 727 CA GLN B 14 -5.251 7.285 1.899 1.00 0.00 C ATOM 728 C GLN B 14 -5.972 6.038 1.395 1.00 0.00 C ATOM 729 O GLN B 14 -5.799 4.945 1.932 1.00 0.00 O ATOM 730 CB GLN B 14 -6.266 8.209 2.575 1.00 0.00 C ATOM 731 CG GLN B 14 -5.533 9.375 3.239 1.00 0.00 C ATOM 732 CD GLN B 14 -5.205 9.014 4.684 1.00 0.00 C ATOM 733 OE1 GLN B 14 -5.924 8.239 5.316 1.00 0.00 O ATOM 734 NE2 GLN B 14 -4.150 9.534 5.251 1.00 0.00 N ATOM 0 H GLN B 14 -5.051 8.834 0.490 1.00 0.00 H new ATOM 0 HA GLN B 14 -4.487 6.994 2.620 1.00 0.00 H new ATOM 0 HB2 GLN B 14 -6.978 8.585 1.840 1.00 0.00 H new ATOM 0 HB3 GLN B 14 -6.839 7.655 3.319 1.00 0.00 H new ATOM 0 HG2 GLN B 14 -4.617 9.601 2.693 1.00 0.00 H new ATOM 0 HG3 GLN B 14 -6.152 10.272 3.209 1.00 0.00 H new ATOM 0 HE21 GLN B 14 -3.554 10.176 4.728 1.00 0.00 H new ATOM 0 HE22 GLN B 14 -3.922 9.298 6.217 1.00 0.00 H new ATOM 743 N GLN B 15 -6.787 6.217 0.358 1.00 0.00 N ATOM 744 CA GLN B 15 -7.537 5.100 -0.211 1.00 0.00 C ATOM 745 C GLN B 15 -6.587 4.026 -0.736 1.00 0.00 C ATOM 746 O GLN B 15 -6.833 2.832 -0.579 1.00 0.00 O ATOM 747 CB GLN B 15 -8.425 5.582 -1.360 1.00 0.00 C ATOM 748 CG GLN B 15 -9.458 6.575 -0.826 1.00 0.00 C ATOM 749 CD GLN B 15 -9.785 7.601 -1.906 1.00 0.00 C ATOM 750 OE1 GLN B 15 -10.175 7.240 -3.015 1.00 0.00 O ATOM 751 NE2 GLN B 15 -9.649 8.872 -1.644 1.00 0.00 N ATOM 0 H GLN B 15 -6.944 7.114 -0.101 1.00 0.00 H new ATOM 0 HA GLN B 15 -8.159 4.679 0.579 1.00 0.00 H new ATOM 0 HB2 GLN B 15 -7.816 6.054 -2.131 1.00 0.00 H new ATOM 0 HB3 GLN B 15 -8.927 4.734 -1.826 1.00 0.00 H new ATOM 0 HG2 GLN B 15 -10.363 6.047 -0.525 1.00 0.00 H new ATOM 0 HG3 GLN B 15 -9.071 7.076 0.061 1.00 0.00 H new ATOM 0 HE21 GLN B 15 -9.326 9.171 -0.724 1.00 0.00 H new ATOM 0 HE22 GLN B 15 -9.866 9.566 -2.359 1.00 0.00 H new ATOM 760 N ASP B 16 -5.498 4.466 -1.360 1.00 0.00 N ATOM 761 CA ASP B 16 -4.515 3.533 -1.907 1.00 0.00 C ATOM 762 C ASP B 16 -3.920 2.674 -0.795 1.00 0.00 C ATOM 763 O ASP B 16 -3.762 1.464 -0.943 1.00 0.00 O ATOM 764 CB ASP B 16 -3.386 4.293 -2.606 1.00 0.00 C ATOM 765 CG ASP B 16 -2.692 3.369 -3.602 1.00 0.00 C ATOM 766 OD1 ASP B 16 -3.168 3.270 -4.720 1.00 0.00 O ATOM 767 OD2 ASP B 16 -1.694 2.772 -3.229 1.00 0.00 O ATOM 0 H ASP B 16 -5.274 5.451 -1.499 1.00 0.00 H new ATOM 0 HA ASP B 16 -5.024 2.894 -2.629 1.00 0.00 H new ATOM 0 HB2 ASP B 16 -3.786 5.166 -3.121 1.00 0.00 H new ATOM 0 HB3 ASP B 16 -2.669 4.657 -1.871 1.00 0.00 H new ATOM 772 N ILE B 17 -3.594 3.318 0.322 1.00 0.00 N ATOM 773 CA ILE B 17 -3.016 2.610 1.464 1.00 0.00 C ATOM 774 C ILE B 17 -3.983 1.536 1.966 1.00 0.00 C ATOM 775 O ILE B 17 -3.765 0.340 1.782 1.00 0.00 O ATOM 776 CB ILE B 17 -2.700 3.614 2.602 1.00 0.00 C ATOM 777 CG1 ILE B 17 -1.368 4.306 2.298 1.00 0.00 C ATOM 778 CG2 ILE B 17 -2.598 2.907 3.970 1.00 0.00 C ATOM 779 CD1 ILE B 17 -1.142 5.440 3.300 1.00 0.00 C ATOM 0 H ILE B 17 -3.718 4.321 0.462 1.00 0.00 H new ATOM 0 HA ILE B 17 -2.091 2.127 1.148 1.00 0.00 H new ATOM 0 HB ILE B 17 -3.512 4.339 2.653 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -0.551 3.587 2.356 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -1.374 4.700 1.282 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -2.376 3.642 4.744 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -3.544 2.416 4.197 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -1.802 2.163 3.937 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -0.194 5.933 3.084 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -1.954 6.163 3.220 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -1.117 5.033 4.311 1.00 0.00 H new ATOM 791 N ASP B 18 -5.037 1.993 2.641 1.00 0.00 N ATOM 792 CA ASP B 18 -6.030 1.092 3.221 1.00 0.00 C ATOM 793 C ASP B 18 -6.451 -0.006 2.236 1.00 0.00 C ATOM 794 O ASP B 18 -6.812 -1.112 2.638 1.00 0.00 O ATOM 795 CB ASP B 18 -7.271 1.882 3.647 1.00 0.00 C ATOM 796 CG ASP B 18 -7.142 2.288 5.113 1.00 0.00 C ATOM 797 OD1 ASP B 18 -6.049 2.658 5.510 1.00 0.00 O ATOM 798 OD2 ASP B 18 -8.138 2.225 5.815 1.00 0.00 O ATOM 0 H ASP B 18 -5.225 2.983 2.799 1.00 0.00 H new ATOM 0 HA ASP B 18 -5.569 0.618 4.087 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -7.382 2.768 3.022 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -8.166 1.277 3.504 1.00 0.00 H new ATOM 803 N ASP B 19 -6.396 0.314 0.946 1.00 0.00 N ATOM 804 CA ASP B 19 -6.769 -0.653 -0.083 1.00 0.00 C ATOM 805 C ASP B 19 -5.676 -1.703 -0.248 1.00 0.00 C ATOM 806 O ASP B 19 -5.953 -2.884 -0.459 1.00 0.00 O ATOM 807 CB ASP B 19 -6.992 0.049 -1.424 1.00 0.00 C ATOM 808 CG ASP B 19 -7.587 -0.937 -2.424 1.00 0.00 C ATOM 809 OD1 ASP B 19 -8.748 -1.279 -2.269 1.00 0.00 O ATOM 810 OD2 ASP B 19 -6.874 -1.335 -3.330 1.00 0.00 O ATOM 0 H ASP B 19 -6.101 1.223 0.591 1.00 0.00 H new ATOM 0 HA ASP B 19 -7.694 -1.137 0.231 1.00 0.00 H new ATOM 0 HB2 ASP B 19 -7.661 0.899 -1.294 1.00 0.00 H new ATOM 0 HB3 ASP B 19 -6.048 0.441 -1.802 1.00 0.00 H new ATOM 815 N LEU B 20 -4.425 -1.258 -0.143 1.00 0.00 N ATOM 816 CA LEU B 20 -3.288 -2.166 -0.280 1.00 0.00 C ATOM 817 C LEU B 20 -3.222 -3.118 0.910 1.00 0.00 C ATOM 818 O LEU B 20 -2.994 -4.317 0.753 1.00 0.00 O ATOM 819 CB LEU B 20 -1.981 -1.376 -0.356 1.00 0.00 C ATOM 820 CG LEU B 20 -1.872 -0.698 -1.722 1.00 0.00 C ATOM 821 CD1 LEU B 20 -0.821 0.413 -1.659 1.00 0.00 C ATOM 822 CD2 LEU B 20 -1.457 -1.731 -2.773 1.00 0.00 C ATOM 0 H LEU B 20 -4.175 -0.285 0.035 1.00 0.00 H new ATOM 0 HA LEU B 20 -3.422 -2.738 -1.198 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -1.949 -0.628 0.436 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -1.132 -2.042 -0.200 1.00 0.00 H new ATOM 0 HG LEU B 20 -2.838 -0.271 -1.992 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -0.743 0.896 -2.633 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -1.114 1.149 -0.911 1.00 0.00 H new ATOM 0 HD13 LEU B 20 0.144 -0.014 -1.388 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -1.379 -1.248 -3.747 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -0.492 -2.158 -2.502 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -2.204 -2.523 -2.820 1.00 0.00 H new ATOM 834 N LYS B 21 -3.419 -2.567 2.105 1.00 0.00 N ATOM 835 CA LYS B 21 -3.377 -3.373 3.324 1.00 0.00 C ATOM 836 C LYS B 21 -4.456 -4.451 3.293 1.00 0.00 C ATOM 837 O LYS B 21 -4.199 -5.615 3.603 1.00 0.00 O ATOM 838 CB LYS B 21 -3.591 -2.491 4.555 1.00 0.00 C ATOM 839 CG LYS B 21 -2.345 -1.638 4.797 1.00 0.00 C ATOM 840 CD LYS B 21 -2.666 -0.539 5.812 1.00 0.00 C ATOM 841 CE LYS B 21 -1.377 0.178 6.215 1.00 0.00 C ATOM 842 NZ LYS B 21 -1.551 0.793 7.562 1.00 0.00 N ATOM 0 H LYS B 21 -3.608 -1.576 2.256 1.00 0.00 H new ATOM 0 HA LYS B 21 -2.396 -3.845 3.379 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -4.460 -1.850 4.409 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -3.795 -3.111 5.428 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -1.531 -2.262 5.166 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -2.008 -1.195 3.860 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -3.371 0.173 5.382 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -3.145 -0.970 6.691 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -0.546 -0.527 6.230 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -1.131 0.946 5.482 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -0.675 1.281 7.837 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -2.334 1.477 7.533 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -1.766 0.050 8.257 1.00 0.00 H new ATOM 856 N ARG B 22 -5.666 -4.050 2.920 1.00 0.00 N ATOM 857 CA ARG B 22 -6.784 -4.989 2.854 1.00 0.00 C ATOM 858 C ARG B 22 -6.495 -6.097 1.846 1.00 0.00 C ATOM 859 O ARG B 22 -6.810 -7.266 2.077 1.00 0.00 O ATOM 860 CB ARG B 22 -8.068 -4.265 2.444 1.00 0.00 C ATOM 861 CG ARG B 22 -9.283 -5.083 2.891 1.00 0.00 C ATOM 862 CD ARG B 22 -10.518 -4.628 2.112 1.00 0.00 C ATOM 863 NE ARG B 22 -11.650 -5.522 2.372 1.00 0.00 N ATOM 864 CZ ARG B 22 -11.691 -6.776 1.896 1.00 0.00 C ATOM 865 NH1 ARG B 22 -10.711 -7.263 1.173 1.00 0.00 N ATOM 866 NH2 ARG B 22 -12.727 -7.525 2.159 1.00 0.00 N ATOM 0 H ARG B 22 -5.899 -3.091 2.661 1.00 0.00 H new ATOM 0 HA ARG B 22 -6.913 -5.425 3.844 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -8.098 -3.273 2.895 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -8.089 -4.124 1.363 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -9.103 -6.144 2.721 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -9.447 -4.955 3.961 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -10.779 -3.609 2.397 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -10.297 -4.614 1.045 1.00 0.00 H new ATOM 0 HE ARG B 22 -12.431 -5.180 2.932 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -9.897 -6.686 0.962 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -10.763 -8.219 0.821 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -13.494 -7.156 2.721 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -12.770 -8.480 1.803 1.00 0.00 H new ATOM 880 N GLN B 23 -5.894 -5.718 0.723 1.00 0.00 N ATOM 881 CA GLN B 23 -5.567 -6.686 -0.320 1.00 0.00 C ATOM 882 C GLN B 23 -4.401 -7.569 0.117 1.00 0.00 C ATOM 883 O GLN B 23 -4.490 -8.797 0.093 1.00 0.00 O ATOM 884 CB GLN B 23 -5.190 -5.971 -1.618 1.00 0.00 C ATOM 885 CG GLN B 23 -5.088 -6.991 -2.754 1.00 0.00 C ATOM 886 CD GLN B 23 -6.468 -7.573 -3.041 1.00 0.00 C ATOM 887 OE1 GLN B 23 -7.449 -6.837 -3.145 1.00 0.00 O ATOM 888 NE2 GLN B 23 -6.602 -8.864 -3.175 1.00 0.00 N ATOM 0 H GLN B 23 -5.625 -4.757 0.512 1.00 0.00 H new ATOM 0 HA GLN B 23 -6.448 -7.305 -0.490 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -5.938 -5.216 -1.860 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -4.240 -5.451 -1.496 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -4.689 -6.515 -3.650 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -4.396 -7.787 -2.481 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -5.788 -9.473 -3.089 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -7.520 -9.264 -3.366 1.00 0.00 H new ATOM 897 N ASN B 24 -3.306 -6.929 0.514 1.00 0.00 N ATOM 898 CA ASN B 24 -2.122 -7.662 0.954 1.00 0.00 C ATOM 899 C ASN B 24 -2.436 -8.497 2.192 1.00 0.00 C ATOM 900 O ASN B 24 -1.863 -9.566 2.397 1.00 0.00 O ATOM 901 CB ASN B 24 -0.985 -6.692 1.280 1.00 0.00 C ATOM 902 CG ASN B 24 -0.645 -5.865 0.045 1.00 0.00 C ATOM 903 OD1 ASN B 24 -1.471 -5.711 -0.855 1.00 0.00 O ATOM 904 ND2 ASN B 24 0.535 -5.320 -0.054 1.00 0.00 N ATOM 0 H ASN B 24 -3.213 -5.914 0.541 1.00 0.00 H new ATOM 0 HA ASN B 24 -1.816 -8.322 0.143 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -1.278 -6.036 2.100 1.00 0.00 H new ATOM 0 HB3 ASN B 24 -0.106 -7.245 1.612 1.00 0.00 H new ATOM 0 HD21 ASN B 24 0.774 -4.766 -0.877 1.00 0.00 H new ATOM 0 HD22 ASN B 24 1.220 -5.447 0.691 1.00 0.00 H new ATOM 911 N ALA B 25 -3.353 -7.996 3.015 1.00 0.00 N ATOM 912 CA ALA B 25 -3.737 -8.703 4.235 1.00 0.00 C ATOM 913 C ALA B 25 -4.329 -10.069 3.899 1.00 0.00 C ATOM 914 O ALA B 25 -3.882 -11.098 4.405 1.00 0.00 O ATOM 915 CB ALA B 25 -4.768 -7.893 5.022 1.00 0.00 C ATOM 0 H ALA B 25 -3.840 -7.113 2.863 1.00 0.00 H new ATOM 0 HA ALA B 25 -2.841 -8.836 4.841 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -5.042 -8.435 5.927 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -4.342 -6.927 5.292 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -5.656 -7.739 4.408 1.00 0.00 H new ATOM 921 N LEU B 26 -5.344 -10.064 3.039 1.00 0.00 N ATOM 922 CA LEU B 26 -5.997 -11.309 2.640 1.00 0.00 C ATOM 923 C LEU B 26 -5.066 -12.145 1.767 1.00 0.00 C ATOM 924 O LEU B 26 -5.116 -13.376 1.784 1.00 0.00 O ATOM 925 CB LEU B 26 -7.280 -11.013 1.861 1.00 0.00 C ATOM 926 CG LEU B 26 -8.445 -10.855 2.838 1.00 0.00 C ATOM 927 CD1 LEU B 26 -9.576 -10.077 2.162 1.00 0.00 C ATOM 928 CD2 LEU B 26 -8.954 -12.238 3.250 1.00 0.00 C ATOM 0 H LEU B 26 -5.729 -9.223 2.609 1.00 0.00 H new ATOM 0 HA LEU B 26 -6.241 -11.866 3.545 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -7.159 -10.103 1.273 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -7.487 -11.821 1.160 1.00 0.00 H new ATOM 0 HG LEU B 26 -8.108 -10.312 3.721 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -10.407 -9.964 2.858 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -9.214 -9.092 1.866 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -9.914 -10.620 1.279 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -9.785 -12.127 3.947 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -9.291 -12.780 2.366 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -8.149 -12.794 3.731 1.00 0.00 H new ATOM 940 N LEU B 27 -4.219 -11.465 0.998 1.00 0.00 N ATOM 941 CA LEU B 27 -3.279 -12.156 0.118 1.00 0.00 C ATOM 942 C LEU B 27 -2.329 -13.031 0.930 1.00 0.00 C ATOM 943 O LEU B 27 -2.331 -14.255 0.809 1.00 0.00 O ATOM 944 CB LEU B 27 -2.462 -11.149 -0.690 1.00 0.00 C ATOM 945 CG LEU B 27 -3.263 -10.705 -1.916 1.00 0.00 C ATOM 946 CD1 LEU B 27 -2.539 -9.549 -2.609 1.00 0.00 C ATOM 947 CD2 LEU B 27 -3.396 -11.879 -2.888 1.00 0.00 C ATOM 0 H LEU B 27 -4.164 -10.447 0.966 1.00 0.00 H new ATOM 0 HA LEU B 27 -3.856 -12.783 -0.562 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -2.216 -10.286 -0.072 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -1.519 -11.597 -1.002 1.00 0.00 H new ATOM 0 HG LEU B 27 -4.254 -10.376 -1.603 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -3.110 -9.233 -3.482 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -2.443 -8.713 -1.917 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -1.548 -9.876 -2.923 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -3.966 -11.565 -3.762 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -2.405 -12.207 -3.200 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -3.912 -12.703 -2.395 1.00 0.00 H new ATOM 959 N GLU B 28 -1.513 -12.385 1.759 1.00 0.00 N ATOM 960 CA GLU B 28 -0.555 -13.101 2.589 1.00 0.00 C ATOM 961 C GLU B 28 -1.270 -14.074 3.523 1.00 0.00 C ATOM 962 O GLU B 28 -0.730 -15.121 3.883 1.00 0.00 O ATOM 963 CB GLU B 28 0.254 -12.106 3.421 1.00 0.00 C ATOM 964 CG GLU B 28 -0.692 -11.224 4.247 1.00 0.00 C ATOM 965 CD GLU B 28 -0.700 -11.692 5.700 1.00 0.00 C ATOM 966 OE1 GLU B 28 -1.174 -12.789 5.945 1.00 0.00 O ATOM 967 OE2 GLU B 28 -0.232 -10.947 6.543 1.00 0.00 O ATOM 0 H GLU B 28 -1.498 -11.371 1.872 1.00 0.00 H new ATOM 0 HA GLU B 28 0.111 -13.665 1.936 1.00 0.00 H new ATOM 0 HB2 GLU B 28 0.936 -12.641 4.082 1.00 0.00 H new ATOM 0 HB3 GLU B 28 0.866 -11.485 2.767 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -0.373 -10.183 4.193 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -1.700 -11.271 3.835 1.00 0.00 H new ATOM 974 N GLN B 29 -2.491 -13.717 3.912 1.00 0.00 N ATOM 975 CA GLN B 29 -3.278 -14.564 4.807 1.00 0.00 C ATOM 976 C GLN B 29 -3.520 -15.933 4.175 1.00 0.00 C ATOM 977 O GLN B 29 -3.618 -16.945 4.870 1.00 0.00 O ATOM 978 CB GLN B 29 -4.629 -13.913 5.109 1.00 0.00 C ATOM 979 CG GLN B 29 -4.499 -13.018 6.345 1.00 0.00 C ATOM 980 CD GLN B 29 -4.791 -13.837 7.597 1.00 0.00 C ATOM 981 OE1 GLN B 29 -3.872 -14.305 8.269 1.00 0.00 O ATOM 982 NE2 GLN B 29 -6.029 -14.041 7.954 1.00 0.00 N ATOM 0 H GLN B 29 -2.955 -12.855 3.625 1.00 0.00 H new ATOM 0 HA GLN B 29 -2.716 -14.685 5.733 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -4.960 -13.324 4.254 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -5.384 -14.680 5.280 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -3.495 -12.597 6.399 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -5.193 -12.180 6.275 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -6.791 -13.653 7.397 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -6.235 -14.588 8.790 1.00 0.00 H new ATOM 991 N GLN B 30 -3.617 -15.953 2.849 1.00 0.00 N ATOM 992 CA GLN B 30 -3.849 -17.203 2.131 1.00 0.00 C ATOM 993 C GLN B 30 -2.523 -17.875 1.785 1.00 0.00 C ATOM 994 O GLN B 30 -2.426 -19.101 1.736 1.00 0.00 O ATOM 995 CB GLN B 30 -4.627 -16.943 0.839 1.00 0.00 C ATOM 996 CG GLN B 30 -6.129 -16.997 1.129 1.00 0.00 C ATOM 997 CD GLN B 30 -6.903 -16.967 -0.184 1.00 0.00 C ATOM 998 OE1 GLN B 30 -6.711 -16.070 -1.005 1.00 0.00 O ATOM 999 NE2 GLN B 30 -7.772 -17.906 -0.437 1.00 0.00 N ATOM 0 H GLN B 30 -3.540 -15.128 2.255 1.00 0.00 H new ATOM 0 HA GLN B 30 -4.430 -17.859 2.779 1.00 0.00 H new ATOM 0 HB2 GLN B 30 -4.359 -15.969 0.430 1.00 0.00 H new ATOM 0 HB3 GLN B 30 -4.364 -17.687 0.087 1.00 0.00 H new ATOM 0 HG2 GLN B 30 -6.370 -17.903 1.685 1.00 0.00 H new ATOM 0 HG3 GLN B 30 -6.420 -16.153 1.754 1.00 0.00 H new ATOM 0 HE21 GLN B 30 -7.932 -18.650 0.243 1.00 0.00 H new ATOM 0 HE22 GLN B 30 -8.292 -17.897 -1.315 1.00 0.00 H new ATOM 1008 N VAL B 31 -1.502 -17.056 1.545 1.00 0.00 N ATOM 1009 CA VAL B 31 -0.182 -17.580 1.202 1.00 0.00 C ATOM 1010 C VAL B 31 0.382 -18.394 2.364 1.00 0.00 C ATOM 1011 O VAL B 31 1.011 -19.432 2.164 1.00 0.00 O ATOM 1012 CB VAL B 31 0.783 -16.433 0.874 1.00 0.00 C ATOM 1013 CG1 VAL B 31 2.115 -17.001 0.375 1.00 0.00 C ATOM 1014 CG2 VAL B 31 0.173 -15.545 -0.218 1.00 0.00 C ATOM 0 H VAL B 31 -1.561 -16.038 1.581 1.00 0.00 H new ATOM 0 HA VAL B 31 -0.288 -18.221 0.327 1.00 0.00 H new ATOM 0 HB VAL B 31 0.954 -15.843 1.775 1.00 0.00 H new ATOM 0 HG11 VAL B 31 2.796 -16.182 0.144 1.00 0.00 H new ATOM 0 HG12 VAL B 31 2.554 -17.631 1.148 1.00 0.00 H new ATOM 0 HG13 VAL B 31 1.944 -17.595 -0.523 1.00 0.00 H new ATOM 0 HG21 VAL B 31 0.859 -14.731 -0.450 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -0.002 -16.139 -1.115 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -0.773 -15.133 0.134 1.00 0.00 H new ATOM 1024 N ARG B 32 0.148 -17.911 3.581 1.00 0.00 N ATOM 1025 CA ARG B 32 0.638 -18.603 4.771 1.00 0.00 C ATOM 1026 C ARG B 32 0.026 -19.998 4.873 1.00 0.00 C ATOM 1027 O ARG B 32 0.643 -20.927 5.393 1.00 0.00 O ATOM 1028 CB ARG B 32 0.295 -17.813 6.037 1.00 0.00 C ATOM 1029 CG ARG B 32 -1.200 -17.483 6.052 1.00 0.00 C ATOM 1030 CD ARG B 32 -1.608 -17.028 7.454 1.00 0.00 C ATOM 1031 NE ARG B 32 -0.737 -15.947 7.922 1.00 0.00 N ATOM 1032 CZ ARG B 32 -0.643 -15.618 9.219 1.00 0.00 C ATOM 1033 NH1 ARG B 32 -1.340 -16.250 10.134 1.00 0.00 N ATOM 1034 NH2 ARG B 32 0.153 -14.648 9.578 1.00 0.00 N ATOM 0 H ARG B 32 -0.371 -17.054 3.769 1.00 0.00 H new ATOM 0 HA ARG B 32 1.721 -18.689 4.682 1.00 0.00 H new ATOM 0 HB2 ARG B 32 0.558 -18.393 6.921 1.00 0.00 H new ATOM 0 HB3 ARG B 32 0.880 -16.894 6.073 1.00 0.00 H new ATOM 0 HG2 ARG B 32 -1.418 -16.699 5.326 1.00 0.00 H new ATOM 0 HG3 ARG B 32 -1.779 -18.359 5.759 1.00 0.00 H new ATOM 0 HD2 ARG B 32 -2.644 -16.689 7.444 1.00 0.00 H new ATOM 0 HD3 ARG B 32 -1.555 -17.870 8.145 1.00 0.00 H new ATOM 0 HE ARG B 32 -0.184 -15.428 7.240 1.00 0.00 H new ATOM 0 HH11 ARG B 32 -1.968 -17.007 9.864 1.00 0.00 H new ATOM 0 HH12 ARG B 32 -1.254 -15.984 11.115 1.00 0.00 H new ATOM 0 HH21 ARG B 32 0.697 -14.148 8.875 1.00 0.00 H new ATOM 0 HH22 ARG B 32 0.231 -14.390 10.562 1.00 0.00 H new ATOM 1048 N ALA B 33 -1.198 -20.135 4.366 1.00 0.00 N ATOM 1049 CA ALA B 33 -1.887 -21.423 4.404 1.00 0.00 C ATOM 1050 C ALA B 33 -1.241 -22.400 3.425 1.00 0.00 C ATOM 1051 O ALA B 33 -1.202 -23.606 3.664 1.00 0.00 O ATOM 1052 CB ALA B 33 -3.362 -21.253 4.041 1.00 0.00 C ATOM 0 H ALA B 33 -1.727 -19.380 3.929 1.00 0.00 H new ATOM 0 HA ALA B 33 -1.808 -21.818 5.417 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -3.859 -22.223 4.075 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -3.836 -20.577 4.753 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -3.444 -20.838 3.037 1.00 0.00 H new ATOM 1058 N LEU B 34 -0.736 -21.862 2.318 1.00 0.00 N ATOM 1059 CA LEU B 34 -0.093 -22.693 1.304 1.00 0.00 C ATOM 1060 C LEU B 34 1.414 -22.459 1.302 1.00 0.00 C ATOM 1061 O LEU B 34 2.075 -22.605 0.273 1.00 0.00 O ATOM 1062 CB LEU B 34 -0.651 -22.372 -0.084 1.00 0.00 C ATOM 1063 CG LEU B 34 -1.856 -23.268 -0.370 1.00 0.00 C ATOM 1064 CD1 LEU B 34 -3.136 -22.559 0.076 1.00 0.00 C ATOM 1065 CD2 LEU B 34 -1.931 -23.558 -1.870 1.00 0.00 C ATOM 0 H LEU B 34 -0.759 -20.866 2.101 1.00 0.00 H new ATOM 0 HA LEU B 34 -0.298 -23.736 1.544 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -0.944 -21.323 -0.136 1.00 0.00 H new ATOM 0 HB3 LEU B 34 0.118 -22.526 -0.841 1.00 0.00 H new ATOM 0 HG LEU B 34 -1.750 -24.205 0.177 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -3.996 -23.198 -0.128 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -3.083 -22.351 1.145 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -3.242 -21.622 -0.471 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -2.790 -24.197 -2.075 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -2.037 -22.621 -2.417 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -1.019 -24.063 -2.189 1.00 0.00 H new HETATM 1077 N NH2 B 35 2.004 -22.096 2.407 1.00 0.00 N TER 1080 NH2 B 35