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 Set 1.1: B 23 GLN : amide:sc= -4.87! C(o=-8.2!,f=-17!) USER MOD Set 1.2: B 24 ASN : amide:sc= -3.29 K(o=-8.2,f=-15!) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= -0.1 K(o=-0.1,f=-1.1!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 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 HD1:sc= -0.203 K(o=-0.1,f=-1.4) USER MOD Single : A 30 LYS NZ :NH3+ 142:sc= -0.255 (180deg=-1.23!) USER MOD Single : A 33 GLN : amide:sc= -0.309 K(o=-0.31,f=-2.3) USER MOD Single : B 6 MET CE :methyl 141:sc= -0.173 (180deg=-1.24!) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 ASN : amide:sc= -0.65 K(o=-0.65,f=0) USER MOD Single : B 12 THR OG1 : rot -25:sc= 0.879 USER MOD Single : B 13 HIS : no HE2:sc= -1.44 K(o=-1.4,f=-0.75) USER MOD Single : B 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 21 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.017) 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 -0.940 26.154 4.912 1.00 0.00 C HETATM 2 O ACE A 2 -0.033 26.986 4.922 1.00 0.00 O HETATM 3 CH3 ACE A 2 -2.343 26.513 5.387 1.00 0.00 C HETATM 0 H1 ACE A 2 -3.052 26.367 4.572 1.00 0.00 H new HETATM 0 H2 ACE A 2 -2.618 25.874 6.226 1.00 0.00 H new HETATM 0 H3 ACE A 2 -2.364 27.556 5.703 1.00 0.00 H new ATOM 7 N CYS A 3 -0.771 24.902 4.493 1.00 0.00 N ATOM 8 CA CYS A 3 0.527 24.432 4.012 1.00 0.00 C ATOM 9 C CYS A 3 1.584 24.560 5.106 1.00 0.00 C ATOM 10 O CYS A 3 2.214 25.606 5.260 1.00 0.00 O ATOM 11 CB CYS A 3 0.972 25.240 2.791 1.00 0.00 C ATOM 12 SG CYS A 3 -0.140 24.904 1.405 1.00 0.00 S ATOM 0 H CYS A 3 -1.510 24.199 4.476 1.00 0.00 H new ATOM 0 HA CYS A 3 0.420 23.384 3.734 1.00 0.00 H new ATOM 0 HB2 CYS A 3 0.967 26.305 3.025 1.00 0.00 H new ATOM 0 HB3 CYS A 3 1.995 24.978 2.522 1.00 0.00 H new ATOM 17 N GLY A 4 1.768 23.482 5.863 1.00 0.00 N ATOM 18 CA GLY A 4 2.751 23.480 6.941 1.00 0.00 C ATOM 19 C GLY A 4 3.860 22.473 6.662 1.00 0.00 C ATOM 20 O GLY A 4 5.039 22.749 6.881 1.00 0.00 O ATOM 0 H GLY A 4 1.255 22.607 5.752 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.178 24.477 7.051 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.262 23.237 7.884 1.00 0.00 H new ATOM 24 N GLY A 5 3.467 21.300 6.174 1.00 0.00 N ATOM 25 CA GLY A 5 4.437 20.252 5.865 1.00 0.00 C ATOM 26 C GLY A 5 3.757 19.070 5.182 1.00 0.00 C ATOM 27 O GLY A 5 4.006 17.913 5.518 1.00 0.00 O ATOM 0 H GLY A 5 2.496 21.052 5.985 1.00 0.00 H new ATOM 0 HA2 GLY A 5 5.218 20.652 5.218 1.00 0.00 H new ATOM 0 HA3 GLY A 5 4.923 19.918 6.782 1.00 0.00 H new ATOM 31 N VAL A 6 2.893 19.377 4.218 1.00 0.00 N ATOM 32 CA VAL A 6 2.178 18.332 3.490 1.00 0.00 C ATOM 33 C VAL A 6 3.166 17.455 2.717 1.00 0.00 C ATOM 34 O VAL A 6 2.948 16.257 2.541 1.00 0.00 O ATOM 35 CB VAL A 6 1.160 18.959 2.521 1.00 0.00 C ATOM 36 CG1 VAL A 6 1.884 19.829 1.488 1.00 0.00 C ATOM 37 CG2 VAL A 6 0.376 17.856 1.801 1.00 0.00 C ATOM 0 H VAL A 6 2.673 20.329 3.925 1.00 0.00 H new ATOM 0 HA VAL A 6 1.643 17.711 4.209 1.00 0.00 H new ATOM 0 HB VAL A 6 0.469 19.580 3.092 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.155 20.268 0.807 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.428 20.624 1.999 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.585 19.215 0.922 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.343 18.308 1.117 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.066 17.227 1.239 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.154 17.248 2.534 1.00 0.00 H new ATOM 47 N GLN A 7 4.253 18.070 2.260 1.00 0.00 N ATOM 48 CA GLN A 7 5.270 17.340 1.507 1.00 0.00 C ATOM 49 C GLN A 7 5.886 16.244 2.370 1.00 0.00 C ATOM 50 O GLN A 7 6.267 15.184 1.874 1.00 0.00 O ATOM 51 CB GLN A 7 6.376 18.290 1.043 1.00 0.00 C ATOM 52 CG GLN A 7 5.772 19.394 0.173 1.00 0.00 C ATOM 53 CD GLN A 7 6.820 19.896 -0.813 1.00 0.00 C ATOM 54 OE1 GLN A 7 7.668 20.717 -0.462 1.00 0.00 O ATOM 55 NE2 GLN A 7 6.814 19.448 -2.039 1.00 0.00 N ATOM 0 H GLN A 7 4.452 19.061 2.395 1.00 0.00 H new ATOM 0 HA GLN A 7 4.789 16.891 0.638 1.00 0.00 H new ATOM 0 HB2 GLN A 7 6.879 18.727 1.905 1.00 0.00 H new ATOM 0 HB3 GLN A 7 7.129 17.740 0.479 1.00 0.00 H new ATOM 0 HG2 GLN A 7 4.904 19.013 -0.365 1.00 0.00 H new ATOM 0 HG3 GLN A 7 5.424 20.215 0.799 1.00 0.00 H new ATOM 0 HE21 GLN A 7 6.112 18.768 -2.330 1.00 0.00 H new ATOM 0 HE22 GLN A 7 7.512 19.778 -2.706 1.00 0.00 H new ATOM 64 N ALA A 8 5.980 16.512 3.669 1.00 0.00 N ATOM 65 CA ALA A 8 6.552 15.542 4.598 1.00 0.00 C ATOM 66 C ALA A 8 5.604 14.361 4.785 1.00 0.00 C ATOM 67 O ALA A 8 5.989 13.205 4.617 1.00 0.00 O ATOM 68 CB ALA A 8 6.813 16.190 5.958 1.00 0.00 C ATOM 0 H ALA A 8 5.671 17.384 4.099 1.00 0.00 H new ATOM 0 HA ALA A 8 7.494 15.190 4.178 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.239 15.452 6.637 1.00 0.00 H new ATOM 0 HB2 ALA A 8 7.511 17.019 5.838 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.875 16.563 6.370 1.00 0.00 H new ATOM 74 N GLU A 9 4.357 14.669 5.132 1.00 0.00 N ATOM 75 CA GLU A 9 3.356 13.625 5.340 1.00 0.00 C ATOM 76 C GLU A 9 3.101 12.868 4.041 1.00 0.00 C ATOM 77 O GLU A 9 2.869 11.660 4.045 1.00 0.00 O ATOM 78 CB GLU A 9 2.041 14.235 5.827 1.00 0.00 C ATOM 79 CG GLU A 9 2.291 15.032 7.110 1.00 0.00 C ATOM 80 CD GLU A 9 0.959 15.346 7.781 1.00 0.00 C ATOM 81 OE1 GLU A 9 0.051 15.766 7.084 1.00 0.00 O ATOM 82 OE2 GLU A 9 0.866 15.161 8.983 1.00 0.00 O ATOM 0 H GLU A 9 4.018 15.620 5.274 1.00 0.00 H new ATOM 0 HA GLU A 9 3.738 12.937 6.094 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.623 14.885 5.058 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.309 13.448 6.012 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.926 14.461 7.787 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.821 15.956 6.879 1.00 0.00 H new ATOM 89 N GLU A 10 3.146 13.594 2.928 1.00 0.00 N ATOM 90 CA GLU A 10 2.918 12.983 1.621 1.00 0.00 C ATOM 91 C GLU A 10 4.082 12.071 1.249 1.00 0.00 C ATOM 92 O GLU A 10 3.902 11.058 0.573 1.00 0.00 O ATOM 93 CB GLU A 10 2.766 14.062 0.545 1.00 0.00 C ATOM 94 CG GLU A 10 2.068 13.466 -0.679 1.00 0.00 C ATOM 95 CD GLU A 10 2.466 14.250 -1.924 1.00 0.00 C ATOM 96 OE1 GLU A 10 2.553 15.465 -1.832 1.00 0.00 O ATOM 97 OE2 GLU A 10 2.678 13.629 -2.951 1.00 0.00 O ATOM 0 H GLU A 10 3.336 14.596 2.903 1.00 0.00 H new ATOM 0 HA GLU A 10 2.001 12.396 1.679 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.188 14.900 0.934 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.745 14.452 0.265 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.343 12.418 -0.793 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.987 13.499 -0.546 1.00 0.00 H new ATOM 104 N GLN A 11 5.278 12.442 1.699 1.00 0.00 N ATOM 105 CA GLN A 11 6.472 11.649 1.408 1.00 0.00 C ATOM 106 C GLN A 11 6.340 10.250 2.001 1.00 0.00 C ATOM 107 O GLN A 11 6.501 9.248 1.303 1.00 0.00 O ATOM 108 CB GLN A 11 7.716 12.322 1.990 1.00 0.00 C ATOM 109 CG GLN A 11 8.956 11.842 1.233 1.00 0.00 C ATOM 110 CD GLN A 11 10.191 12.033 2.108 1.00 0.00 C ATOM 111 OE1 GLN A 11 10.146 11.800 3.316 1.00 0.00 O ATOM 112 NE2 GLN A 11 11.301 12.448 1.564 1.00 0.00 N ATOM 0 H GLN A 11 5.447 13.277 2.260 1.00 0.00 H new ATOM 0 HA GLN A 11 6.572 11.576 0.325 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.626 13.406 1.913 1.00 0.00 H new ATOM 0 HB3 GLN A 11 7.809 12.085 3.050 1.00 0.00 H new ATOM 0 HG2 GLN A 11 8.847 10.791 0.964 1.00 0.00 H new ATOM 0 HG3 GLN A 11 9.066 12.400 0.303 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.337 12.641 0.563 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.133 12.580 2.139 1.00 0.00 H new ATOM 121 N LYS A 12 6.045 10.194 3.297 1.00 0.00 N ATOM 122 CA LYS A 12 5.893 8.911 3.978 1.00 0.00 C ATOM 123 C LYS A 12 4.747 8.110 3.366 1.00 0.00 C ATOM 124 O LYS A 12 4.776 6.881 3.337 1.00 0.00 O ATOM 125 CB LYS A 12 5.617 9.122 5.470 1.00 0.00 C ATOM 126 CG LYS A 12 4.388 10.018 5.647 1.00 0.00 C ATOM 127 CD LYS A 12 4.002 10.071 7.126 1.00 0.00 C ATOM 128 CE LYS A 12 2.509 10.380 7.255 1.00 0.00 C ATOM 129 NZ LYS A 12 2.211 10.810 8.649 1.00 0.00 N ATOM 0 H LYS A 12 5.908 11.012 3.891 1.00 0.00 H new ATOM 0 HA LYS A 12 6.824 8.358 3.858 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.452 8.162 5.958 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.483 9.578 5.949 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.601 11.022 5.280 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.556 9.633 5.057 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.230 9.119 7.606 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.587 10.835 7.638 1.00 0.00 H new ATOM 0 HE2 LYS A 12 2.227 11.164 6.553 1.00 0.00 H new ATOM 0 HE3 LYS A 12 1.921 9.498 7.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 1.196 11.020 8.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 2.466 10.048 9.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 2.762 11.662 8.875 1.00 0.00 H new ATOM 143 N LEU A 13 3.736 8.823 2.876 1.00 0.00 N ATOM 144 CA LEU A 13 2.582 8.169 2.266 1.00 0.00 C ATOM 145 C LEU A 13 2.991 7.459 0.980 1.00 0.00 C ATOM 146 O LEU A 13 2.493 6.380 0.662 1.00 0.00 O ATOM 147 CB LEU A 13 1.492 9.194 1.943 1.00 0.00 C ATOM 148 CG LEU A 13 0.631 9.430 3.185 1.00 0.00 C ATOM 149 CD1 LEU A 13 -0.159 10.731 3.019 1.00 0.00 C ATOM 150 CD2 LEU A 13 -0.344 8.263 3.357 1.00 0.00 C ATOM 0 H LEU A 13 3.692 9.842 2.889 1.00 0.00 H new ATOM 0 HA LEU A 13 2.195 7.440 2.978 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.944 10.131 1.617 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.873 8.836 1.121 1.00 0.00 H new ATOM 0 HG LEU A 13 1.272 9.503 4.063 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.773 10.899 3.904 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.533 11.564 2.894 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.801 10.657 2.141 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.958 8.430 4.242 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.985 8.192 2.478 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.216 7.335 3.474 1.00 0.00 H new ATOM 162 N ILE A 14 3.909 8.078 0.245 1.00 0.00 N ATOM 163 CA ILE A 14 4.387 7.499 -1.009 1.00 0.00 C ATOM 164 C ILE A 14 5.388 6.383 -0.731 1.00 0.00 C ATOM 165 O ILE A 14 5.266 5.274 -1.251 1.00 0.00 O ATOM 166 CB ILE A 14 5.056 8.576 -1.873 1.00 0.00 C ATOM 167 CG1 ILE A 14 4.064 9.714 -2.121 1.00 0.00 C ATOM 168 CG2 ILE A 14 5.485 7.977 -3.217 1.00 0.00 C ATOM 169 CD1 ILE A 14 4.830 11.012 -2.387 1.00 0.00 C ATOM 0 H ILE A 14 4.334 8.972 0.491 1.00 0.00 H new ATOM 0 HA ILE A 14 3.530 7.089 -1.543 1.00 0.00 H new ATOM 0 HB ILE A 14 5.935 8.957 -1.353 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.426 9.475 -2.972 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.411 9.836 -1.257 1.00 0.00 H new ATOM 0 HG21 ILE A 14 5.959 8.748 -3.824 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.192 7.165 -3.045 1.00 0.00 H new ATOM 0 HG23 ILE A 14 4.610 7.591 -3.739 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.123 11.822 -2.564 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.449 11.253 -1.523 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.465 10.887 -3.264 1.00 0.00 H new ATOM 181 N SER A 15 6.387 6.691 0.093 1.00 0.00 N ATOM 182 CA SER A 15 7.416 5.709 0.430 1.00 0.00 C ATOM 183 C SER A 15 6.793 4.475 1.077 1.00 0.00 C ATOM 184 O SER A 15 7.215 3.346 0.828 1.00 0.00 O ATOM 185 CB SER A 15 8.438 6.314 1.391 1.00 0.00 C ATOM 186 OG SER A 15 9.540 5.425 1.525 1.00 0.00 O ATOM 0 H SER A 15 6.506 7.602 0.536 1.00 0.00 H new ATOM 0 HA SER A 15 7.914 5.417 -0.495 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.778 7.280 1.018 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.979 6.492 2.364 1.00 0.00 H new ATOM 0 HG SER A 15 10.199 5.811 2.140 1.00 0.00 H new ATOM 192 N GLU A 16 5.783 4.704 1.911 1.00 0.00 N ATOM 193 CA GLU A 16 5.106 3.601 2.589 1.00 0.00 C ATOM 194 C GLU A 16 4.264 2.808 1.596 1.00 0.00 C ATOM 195 O GLU A 16 4.171 1.583 1.677 1.00 0.00 O ATOM 196 CB GLU A 16 4.195 4.132 3.701 1.00 0.00 C ATOM 197 CG GLU A 16 3.743 2.971 4.588 1.00 0.00 C ATOM 198 CD GLU A 16 4.691 2.838 5.775 1.00 0.00 C ATOM 199 OE1 GLU A 16 4.606 3.661 6.671 1.00 0.00 O ATOM 200 OE2 GLU A 16 5.489 1.914 5.770 1.00 0.00 O ATOM 0 H GLU A 16 5.418 5.630 2.132 1.00 0.00 H new ATOM 0 HA GLU A 16 5.868 2.953 3.023 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.726 4.874 4.297 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.328 4.632 3.268 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.726 3.143 4.939 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.730 2.045 4.014 1.00 0.00 H new ATOM 207 N GLU A 17 3.655 3.522 0.654 1.00 0.00 N ATOM 208 CA GLU A 17 2.823 2.878 -0.359 1.00 0.00 C ATOM 209 C GLU A 17 3.685 2.037 -1.296 1.00 0.00 C ATOM 210 O GLU A 17 3.275 0.967 -1.749 1.00 0.00 O ATOM 211 CB GLU A 17 2.070 3.926 -1.181 1.00 0.00 C ATOM 212 CG GLU A 17 0.961 3.244 -1.984 1.00 0.00 C ATOM 213 CD GLU A 17 0.429 4.210 -3.038 1.00 0.00 C ATOM 214 OE1 GLU A 17 0.136 5.339 -2.683 1.00 0.00 O ATOM 215 OE2 GLU A 17 0.322 3.805 -4.183 1.00 0.00 O ATOM 0 H GLU A 17 3.720 4.536 0.570 1.00 0.00 H new ATOM 0 HA GLU A 17 2.106 2.236 0.152 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.644 4.683 -0.522 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.758 4.439 -1.853 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.345 2.343 -2.462 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.155 2.934 -1.320 1.00 0.00 H new ATOM 222 N ASP A 18 4.886 2.532 -1.580 1.00 0.00 N ATOM 223 CA ASP A 18 5.804 1.820 -2.464 1.00 0.00 C ATOM 224 C ASP A 18 6.184 0.474 -1.859 1.00 0.00 C ATOM 225 O ASP A 18 6.297 -0.530 -2.563 1.00 0.00 O ATOM 226 CB ASP A 18 7.074 2.642 -2.691 1.00 0.00 C ATOM 227 CG ASP A 18 7.876 2.034 -3.837 1.00 0.00 C ATOM 228 OD1 ASP A 18 8.192 0.857 -3.752 1.00 0.00 O ATOM 229 OD2 ASP A 18 8.162 2.751 -4.781 1.00 0.00 O ATOM 0 H ASP A 18 5.244 3.415 -1.215 1.00 0.00 H new ATOM 0 HA ASP A 18 5.301 1.662 -3.418 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.815 3.675 -2.923 1.00 0.00 H new ATOM 0 HB3 ASP A 18 7.675 2.660 -1.782 1.00 0.00 H new ATOM 234 N LEU A 19 6.377 0.464 -0.542 1.00 0.00 N ATOM 235 CA LEU A 19 6.744 -0.766 0.155 1.00 0.00 C ATOM 236 C LEU A 19 5.633 -1.802 0.016 1.00 0.00 C ATOM 237 O LEU A 19 5.891 -2.984 -0.214 1.00 0.00 O ATOM 238 CB LEU A 19 6.985 -0.488 1.641 1.00 0.00 C ATOM 239 CG LEU A 19 8.086 -1.412 2.163 1.00 0.00 C ATOM 240 CD1 LEU A 19 9.455 -0.811 1.839 1.00 0.00 C ATOM 241 CD2 LEU A 19 7.945 -1.567 3.679 1.00 0.00 C ATOM 0 H LEU A 19 6.287 1.284 0.058 1.00 0.00 H new ATOM 0 HA LEU A 19 7.660 -1.150 -0.293 1.00 0.00 H new ATOM 0 HB2 LEU A 19 7.272 0.554 1.785 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.066 -0.646 2.205 1.00 0.00 H new ATOM 0 HG LEU A 19 7.996 -2.388 1.686 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.239 -1.470 2.211 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.557 -0.699 0.760 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.546 0.165 2.315 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.729 -2.226 4.052 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.035 -0.590 4.155 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.970 -1.996 3.912 1.00 0.00 H new ATOM 253 N LEU A 20 4.392 -1.342 0.155 1.00 0.00 N ATOM 254 CA LEU A 20 3.242 -2.235 0.039 1.00 0.00 C ATOM 255 C LEU A 20 3.098 -2.735 -1.395 1.00 0.00 C ATOM 256 O LEU A 20 2.645 -3.854 -1.636 1.00 0.00 O ATOM 257 CB LEU A 20 1.958 -1.508 0.446 1.00 0.00 C ATOM 258 CG LEU A 20 1.712 -1.705 1.943 1.00 0.00 C ATOM 259 CD1 LEU A 20 0.823 -0.578 2.468 1.00 0.00 C ATOM 260 CD2 LEU A 20 1.017 -3.050 2.169 1.00 0.00 C ATOM 0 H LEU A 20 4.158 -0.368 0.346 1.00 0.00 H new ATOM 0 HA LEU A 20 3.405 -3.083 0.704 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.041 -0.446 0.217 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.113 -1.892 -0.126 1.00 0.00 H new ATOM 0 HG LEU A 20 2.664 -1.691 2.473 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.648 -0.719 3.535 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.316 0.380 2.305 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.130 -0.590 1.939 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.840 -3.194 3.235 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.065 -3.061 1.638 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.650 -3.854 1.795 1.00 0.00 H new ATOM 272 N ARG A 21 3.491 -1.892 -2.348 1.00 0.00 N ATOM 273 CA ARG A 21 3.403 -2.255 -3.760 1.00 0.00 C ATOM 274 C ARG A 21 4.263 -3.483 -4.050 1.00 0.00 C ATOM 275 O ARG A 21 3.873 -4.366 -4.813 1.00 0.00 O ATOM 276 CB ARG A 21 3.875 -1.096 -4.640 1.00 0.00 C ATOM 277 CG ARG A 21 2.685 -0.199 -4.986 1.00 0.00 C ATOM 278 CD ARG A 21 3.147 1.257 -5.064 1.00 0.00 C ATOM 279 NE ARG A 21 4.289 1.390 -5.972 1.00 0.00 N ATOM 280 CZ ARG A 21 5.080 2.474 -5.971 1.00 0.00 C ATOM 281 NH1 ARG A 21 4.863 3.472 -5.150 1.00 0.00 N ATOM 282 NH2 ARG A 21 6.081 2.535 -6.804 1.00 0.00 N ATOM 0 H ARG A 21 3.870 -0.962 -2.170 1.00 0.00 H new ATOM 0 HA ARG A 21 2.361 -2.481 -3.985 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.640 -0.519 -4.120 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.331 -1.481 -5.552 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.250 -0.505 -5.938 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.906 -0.304 -4.231 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.326 1.886 -5.409 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.423 1.610 -4.070 1.00 0.00 H new ATOM 0 HE ARG A 21 4.489 0.634 -6.626 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.081 3.434 -4.496 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.476 4.287 -5.165 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.256 1.764 -7.448 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.689 3.354 -6.812 1.00 0.00 H new ATOM 296 N LYS A 22 5.440 -3.524 -3.430 1.00 0.00 N ATOM 297 CA LYS A 22 6.352 -4.647 -3.626 1.00 0.00 C ATOM 298 C LYS A 22 5.787 -5.909 -2.982 1.00 0.00 C ATOM 299 O LYS A 22 5.983 -7.019 -3.477 1.00 0.00 O ATOM 300 CB LYS A 22 7.718 -4.343 -3.010 1.00 0.00 C ATOM 301 CG LYS A 22 8.374 -3.186 -3.766 1.00 0.00 C ATOM 302 CD LYS A 22 9.887 -3.221 -3.543 1.00 0.00 C ATOM 303 CE LYS A 22 10.564 -2.203 -4.462 1.00 0.00 C ATOM 304 NZ LYS A 22 12.017 -2.513 -4.562 1.00 0.00 N ATOM 0 H LYS A 22 5.781 -2.802 -2.795 1.00 0.00 H new ATOM 0 HA LYS A 22 6.466 -4.804 -4.699 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.604 -4.085 -1.957 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.354 -5.227 -3.055 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.151 -3.261 -4.830 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.967 -2.235 -3.421 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.117 -2.995 -2.502 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.272 -4.221 -3.745 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.107 -2.230 -5.451 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.422 -1.195 -4.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 12.477 -1.821 -5.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.448 -2.466 -3.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.142 -3.469 -4.952 1.00 0.00 H new ATOM 318 N ARG A 23 5.081 -5.725 -1.869 1.00 0.00 N ATOM 319 CA ARG A 23 4.488 -6.855 -1.160 1.00 0.00 C ATOM 320 C ARG A 23 3.328 -7.436 -1.960 1.00 0.00 C ATOM 321 O ARG A 23 3.132 -8.650 -2.005 1.00 0.00 O ATOM 322 CB ARG A 23 3.975 -6.415 0.214 1.00 0.00 C ATOM 323 CG ARG A 23 3.926 -7.622 1.152 1.00 0.00 C ATOM 324 CD ARG A 23 3.780 -7.141 2.596 1.00 0.00 C ATOM 325 NE ARG A 23 3.601 -8.277 3.504 1.00 0.00 N ATOM 326 CZ ARG A 23 3.770 -8.163 4.829 1.00 0.00 C ATOM 327 NH1 ARG A 23 4.103 -7.018 5.377 1.00 0.00 N ATOM 328 NH2 ARG A 23 3.599 -9.210 5.588 1.00 0.00 N ATOM 0 H ARG A 23 4.907 -4.815 -1.443 1.00 0.00 H new ATOM 0 HA ARG A 23 5.259 -7.615 -1.033 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.627 -5.646 0.628 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.983 -5.974 0.119 1.00 0.00 H new ATOM 0 HG2 ARG A 23 3.089 -8.268 0.887 1.00 0.00 H new ATOM 0 HG3 ARG A 23 4.834 -8.216 1.045 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.664 -6.572 2.886 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.927 -6.467 2.676 1.00 0.00 H new ATOM 0 HE ARG A 23 3.340 -9.183 3.116 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.238 -6.193 4.793 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.227 -6.953 6.387 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.339 -10.104 5.172 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.725 -9.134 6.597 1.00 0.00 H new ATOM 342 N ARG A 24 2.560 -6.552 -2.592 1.00 0.00 N ATOM 343 CA ARG A 24 1.417 -6.986 -3.393 1.00 0.00 C ATOM 344 C ARG A 24 1.890 -7.773 -4.611 1.00 0.00 C ATOM 345 O ARG A 24 1.329 -8.815 -4.952 1.00 0.00 O ATOM 346 CB ARG A 24 0.605 -5.778 -3.865 1.00 0.00 C ATOM 347 CG ARG A 24 -0.737 -6.254 -4.425 1.00 0.00 C ATOM 348 CD ARG A 24 -1.793 -5.167 -4.215 1.00 0.00 C ATOM 349 NE ARG A 24 -2.800 -5.213 -5.278 1.00 0.00 N ATOM 350 CZ ARG A 24 -2.549 -4.768 -6.518 1.00 0.00 C ATOM 351 NH1 ARG A 24 -1.378 -4.269 -6.839 1.00 0.00 N ATOM 352 NH2 ARG A 24 -3.486 -4.833 -7.424 1.00 0.00 N ATOM 0 H ARG A 24 2.705 -5.543 -2.567 1.00 0.00 H new ATOM 0 HA ARG A 24 0.790 -7.623 -2.769 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.442 -5.089 -3.036 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.157 -5.231 -4.629 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.640 -6.481 -5.487 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.044 -7.175 -3.929 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.273 -5.302 -3.246 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -1.316 -4.187 -4.201 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.722 -5.596 -5.068 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.638 -4.214 -6.139 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.208 -3.936 -7.788 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.399 -5.220 -7.186 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.305 -4.497 -8.370 1.00 0.00 H new ATOM 366 N GLU A 25 2.930 -7.262 -5.263 1.00 0.00 N ATOM 367 CA GLU A 25 3.476 -7.923 -6.446 1.00 0.00 C ATOM 368 C GLU A 25 4.036 -9.293 -6.076 1.00 0.00 C ATOM 369 O GLU A 25 3.844 -10.272 -6.796 1.00 0.00 O ATOM 370 CB GLU A 25 4.589 -7.079 -7.066 1.00 0.00 C ATOM 371 CG GLU A 25 4.669 -7.360 -8.569 1.00 0.00 C ATOM 372 CD GLU A 25 6.082 -7.080 -9.066 1.00 0.00 C ATOM 373 OE1 GLU A 25 6.390 -5.922 -9.294 1.00 0.00 O ATOM 374 OE2 GLU A 25 6.837 -8.028 -9.210 1.00 0.00 O ATOM 0 H GLU A 25 3.408 -6.401 -4.997 1.00 0.00 H new ATOM 0 HA GLU A 25 2.669 -8.042 -7.169 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.396 -6.020 -6.893 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.542 -7.310 -6.591 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.401 -8.397 -8.770 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.954 -6.736 -9.105 1.00 0.00 H new ATOM 381 N GLN A 26 4.731 -9.349 -4.944 1.00 0.00 N ATOM 382 CA GLN A 26 5.319 -10.604 -4.484 1.00 0.00 C ATOM 383 C GLN A 26 4.224 -11.584 -4.073 1.00 0.00 C ATOM 384 O GLN A 26 4.304 -12.780 -4.355 1.00 0.00 O ATOM 385 CB GLN A 26 6.239 -10.357 -3.286 1.00 0.00 C ATOM 386 CG GLN A 26 7.034 -11.628 -2.982 1.00 0.00 C ATOM 387 CD GLN A 26 7.820 -11.441 -1.689 1.00 0.00 C ATOM 388 OE1 GLN A 26 7.238 -11.342 -0.609 1.00 0.00 O ATOM 389 NE2 GLN A 26 9.123 -11.385 -1.736 1.00 0.00 N ATOM 0 H GLN A 26 4.900 -8.550 -4.333 1.00 0.00 H new ATOM 0 HA GLN A 26 5.898 -11.026 -5.306 1.00 0.00 H new ATOM 0 HB2 GLN A 26 6.919 -9.533 -3.500 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.650 -10.067 -2.416 1.00 0.00 H new ATOM 0 HG2 GLN A 26 6.358 -12.478 -2.889 1.00 0.00 H new ATOM 0 HG3 GLN A 26 7.714 -11.849 -3.804 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.605 -11.467 -2.631 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.659 -11.259 -0.878 1.00 0.00 H new ATOM 398 N LEU A 27 3.198 -11.062 -3.407 1.00 0.00 N ATOM 399 CA LEU A 27 2.086 -11.898 -2.960 1.00 0.00 C ATOM 400 C LEU A 27 1.379 -12.528 -4.156 1.00 0.00 C ATOM 401 O LEU A 27 0.940 -13.676 -4.103 1.00 0.00 O ATOM 402 CB LEU A 27 1.077 -11.068 -2.164 1.00 0.00 C ATOM 403 CG LEU A 27 1.590 -10.874 -0.736 1.00 0.00 C ATOM 404 CD1 LEU A 27 0.678 -9.894 0.005 1.00 0.00 C ATOM 405 CD2 LEU A 27 1.590 -12.219 -0.008 1.00 0.00 C ATOM 0 H LEU A 27 3.112 -10.075 -3.166 1.00 0.00 H new ATOM 0 HA LEU A 27 2.491 -12.684 -2.322 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.928 -10.100 -2.643 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.109 -11.569 -2.149 1.00 0.00 H new ATOM 0 HG LEU A 27 2.604 -10.476 -0.765 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.043 -9.756 1.023 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.676 -8.935 -0.514 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.336 -10.292 0.035 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.955 -12.082 1.010 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.576 -12.617 0.021 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.239 -12.918 -0.535 1.00 0.00 H new ATOM 417 N LYS A 28 1.272 -11.759 -5.237 1.00 0.00 N ATOM 418 CA LYS A 28 0.617 -12.249 -6.446 1.00 0.00 C ATOM 419 C LYS A 28 1.367 -13.452 -7.009 1.00 0.00 C ATOM 420 O LYS A 28 0.763 -14.444 -7.417 1.00 0.00 O ATOM 421 CB LYS A 28 0.565 -11.152 -7.511 1.00 0.00 C ATOM 422 CG LYS A 28 -0.693 -11.325 -8.364 1.00 0.00 C ATOM 423 CD LYS A 28 -0.820 -10.147 -9.332 1.00 0.00 C ATOM 424 CE LYS A 28 -0.084 -10.472 -10.632 1.00 0.00 C ATOM 425 NZ LYS A 28 -0.598 -9.599 -11.726 1.00 0.00 N ATOM 0 H LYS A 28 1.626 -10.805 -5.301 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.398 -12.545 -6.181 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.563 -10.171 -7.037 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.453 -11.200 -8.141 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.643 -12.262 -8.919 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.574 -11.380 -7.725 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.871 -9.944 -9.538 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.403 -9.246 -8.882 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.988 -10.319 -10.504 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.228 -11.521 -10.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.098 -9.820 -12.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.617 -9.766 -11.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.439 -8.602 -11.478 1.00 0.00 H new ATOM 439 N HIS A 29 2.693 -13.353 -7.023 1.00 0.00 N ATOM 440 CA HIS A 29 3.525 -14.438 -7.536 1.00 0.00 C ATOM 441 C HIS A 29 3.321 -15.703 -6.708 1.00 0.00 C ATOM 442 O HIS A 29 3.345 -16.815 -7.233 1.00 0.00 O ATOM 443 CB HIS A 29 5.004 -14.048 -7.494 1.00 0.00 C ATOM 444 CG HIS A 29 5.246 -12.903 -8.439 1.00 0.00 C ATOM 445 ND1 HIS A 29 4.763 -12.901 -9.738 1.00 0.00 N ATOM 446 CD2 HIS A 29 5.919 -11.715 -8.287 1.00 0.00 C ATOM 447 CE1 HIS A 29 5.149 -11.747 -10.312 1.00 0.00 C ATOM 448 NE2 HIS A 29 5.857 -10.987 -9.471 1.00 0.00 N ATOM 0 H HIS A 29 3.211 -12.541 -6.688 1.00 0.00 H new ATOM 0 HA HIS A 29 3.230 -14.627 -8.568 1.00 0.00 H new ATOM 0 HB2 HIS A 29 5.288 -13.764 -6.481 1.00 0.00 H new ATOM 0 HB3 HIS A 29 5.624 -14.900 -7.772 1.00 0.00 H new ATOM 0 HD2 HIS A 29 6.420 -11.395 -7.385 1.00 0.00 H new ATOM 0 HE1 HIS A 29 4.915 -11.469 -11.329 1.00 0.00 H new ATOM 0 HE2 HIS A 29 6.264 -10.071 -9.657 1.00 0.00 H new ATOM 456 N LYS A 30 3.115 -15.518 -5.408 1.00 0.00 N ATOM 457 CA LYS A 30 2.904 -16.652 -4.512 1.00 0.00 C ATOM 458 C LYS A 30 1.642 -17.414 -4.911 1.00 0.00 C ATOM 459 O LYS A 30 1.555 -18.631 -4.746 1.00 0.00 O ATOM 460 CB LYS A 30 2.763 -16.175 -3.064 1.00 0.00 C ATOM 461 CG LYS A 30 4.135 -16.190 -2.386 1.00 0.00 C ATOM 462 CD LYS A 30 4.972 -15.018 -2.901 1.00 0.00 C ATOM 463 CE LYS A 30 6.407 -15.149 -2.388 1.00 0.00 C ATOM 464 NZ LYS A 30 6.963 -16.468 -2.804 1.00 0.00 N ATOM 0 H LYS A 30 3.090 -14.605 -4.954 1.00 0.00 H new ATOM 0 HA LYS A 30 3.769 -17.310 -4.591 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.345 -15.169 -3.040 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.071 -16.820 -2.523 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.019 -16.120 -1.304 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.644 -17.132 -2.592 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.964 -15.004 -3.991 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.540 -14.075 -2.567 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.022 -14.341 -2.785 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.426 -15.060 -1.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.965 -16.357 -3.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.880 -17.143 -2.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.433 -16.825 -3.624 1.00 0.00 H new ATOM 478 N LEU A 31 0.665 -16.683 -5.442 1.00 0.00 N ATOM 479 CA LEU A 31 -0.591 -17.298 -5.864 1.00 0.00 C ATOM 480 C LEU A 31 -0.421 -17.976 -7.220 1.00 0.00 C ATOM 481 O LEU A 31 -0.897 -19.090 -7.437 1.00 0.00 O ATOM 482 CB LEU A 31 -1.694 -16.243 -5.971 1.00 0.00 C ATOM 483 CG LEU A 31 -2.401 -16.105 -4.620 1.00 0.00 C ATOM 484 CD1 LEU A 31 -1.667 -15.073 -3.764 1.00 0.00 C ATOM 485 CD2 LEU A 31 -3.844 -15.647 -4.846 1.00 0.00 C ATOM 0 H LEU A 31 0.717 -15.675 -5.589 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.870 -18.041 -5.117 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.268 -15.285 -6.270 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.411 -16.528 -6.741 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.400 -17.067 -4.108 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.170 -14.974 -2.802 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.639 -15.398 -3.604 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.668 -14.110 -4.274 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.349 -15.548 -3.885 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.844 -14.684 -5.357 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.368 -16.382 -5.457 1.00 0.00 H new ATOM 497 N GLU A 32 0.266 -17.291 -8.131 1.00 0.00 N ATOM 498 CA GLU A 32 0.494 -17.836 -9.466 1.00 0.00 C ATOM 499 C GLU A 32 1.891 -18.444 -9.573 1.00 0.00 C ATOM 500 O GLU A 32 2.482 -18.489 -10.652 1.00 0.00 O ATOM 501 CB GLU A 32 0.345 -16.742 -10.525 1.00 0.00 C ATOM 502 CG GLU A 32 1.276 -15.574 -10.189 1.00 0.00 C ATOM 503 CD GLU A 32 1.802 -14.952 -11.478 1.00 0.00 C ATOM 504 OE1 GLU A 32 0.990 -14.606 -12.320 1.00 0.00 O ATOM 505 OE2 GLU A 32 3.008 -14.831 -11.605 1.00 0.00 O ATOM 0 H GLU A 32 0.670 -16.368 -7.972 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.251 -18.613 -9.637 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.586 -17.140 -11.511 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.688 -16.397 -10.564 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.741 -14.826 -9.604 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.107 -15.923 -9.576 1.00 0.00 H new ATOM 512 N GLN A 33 2.416 -18.912 -8.442 1.00 0.00 N ATOM 513 CA GLN A 33 3.745 -19.516 -8.424 1.00 0.00 C ATOM 514 C GLN A 33 3.703 -20.905 -9.055 1.00 0.00 C ATOM 515 O GLN A 33 4.389 -21.175 -10.041 1.00 0.00 O ATOM 516 CB GLN A 33 4.262 -19.639 -6.989 1.00 0.00 C ATOM 517 CG GLN A 33 5.791 -19.581 -6.991 1.00 0.00 C ATOM 518 CD GLN A 33 6.247 -18.152 -7.263 1.00 0.00 C ATOM 519 OE1 GLN A 33 5.939 -17.239 -6.499 1.00 0.00 O ATOM 520 NE2 GLN A 33 6.969 -17.901 -8.322 1.00 0.00 N ATOM 0 H GLN A 33 1.947 -18.885 -7.536 1.00 0.00 H new ATOM 0 HA GLN A 33 4.414 -18.873 -8.995 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.858 -18.834 -6.375 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.924 -20.577 -6.548 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.179 -19.921 -6.031 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.190 -20.252 -7.752 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.225 -18.658 -8.956 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.277 -16.948 -8.515 1.00 0.00 H new ATOM 529 N LEU A 34 2.890 -21.781 -8.473 1.00 0.00 N ATOM 530 CA LEU A 34 2.761 -23.144 -8.982 1.00 0.00 C ATOM 531 C LEU A 34 1.336 -23.400 -9.461 1.00 0.00 C ATOM 532 O LEU A 34 0.378 -23.239 -8.706 1.00 0.00 O ATOM 533 CB LEU A 34 3.111 -24.158 -7.892 1.00 0.00 C ATOM 534 CG LEU A 34 4.631 -24.291 -7.785 1.00 0.00 C ATOM 535 CD1 LEU A 34 5.018 -24.570 -6.332 1.00 0.00 C ATOM 536 CD2 LEU A 34 5.105 -25.447 -8.669 1.00 0.00 C ATOM 0 H LEU A 34 2.315 -21.575 -7.656 1.00 0.00 H new ATOM 0 HA LEU A 34 3.451 -23.258 -9.818 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.696 -23.838 -6.936 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.667 -25.126 -8.125 1.00 0.00 H new ATOM 0 HG LEU A 34 5.101 -23.364 -8.115 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.101 -24.665 -6.256 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.680 -23.748 -5.701 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.549 -25.497 -6.002 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.188 -25.542 -8.593 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.635 -26.374 -8.339 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.830 -25.249 -9.705 1.00 0.00 H new HETATM 548 N NH2 A 35 1.137 -23.795 -10.689 1.00 0.00 N TER 551 NH2 A 35 HETATM 552 C ACE B 2 -2.684 26.100 -2.090 1.00 0.00 C HETATM 553 O ACE B 2 -2.299 26.954 -2.888 1.00 0.00 O HETATM 554 CH3 ACE B 2 -4.043 26.214 -1.409 1.00 0.00 C HETATM 0 H1 ACE B 2 -4.651 25.346 -1.663 1.00 0.00 H new HETATM 0 H2 ACE B 2 -3.906 26.257 -0.329 1.00 0.00 H new HETATM 0 H3 ACE B 2 -4.545 27.120 -1.748 1.00 0.00 H new ATOM 558 N CYS B 3 -1.962 25.031 -1.765 1.00 0.00 N ATOM 559 CA CYS B 3 -0.641 24.809 -2.351 1.00 0.00 C ATOM 560 C CYS B 3 -0.770 24.135 -3.713 1.00 0.00 C ATOM 561 O CYS B 3 -0.033 24.447 -4.648 1.00 0.00 O ATOM 562 CB CYS B 3 0.209 23.926 -1.436 1.00 0.00 C ATOM 563 SG CYS B 3 1.060 24.961 -0.219 1.00 0.00 S ATOM 0 H CYS B 3 -2.263 24.312 -1.107 1.00 0.00 H new ATOM 0 HA CYS B 3 -0.158 25.779 -2.469 1.00 0.00 H new ATOM 0 HB2 CYS B 3 -0.422 23.195 -0.930 1.00 0.00 H new ATOM 0 HB3 CYS B 3 0.936 23.367 -2.025 1.00 0.00 H new ATOM 568 N GLY B 4 -1.718 23.206 -3.814 1.00 0.00 N ATOM 569 CA GLY B 4 -1.940 22.491 -5.065 1.00 0.00 C ATOM 570 C GLY B 4 -2.054 20.990 -4.817 1.00 0.00 C ATOM 571 O GLY B 4 -1.051 20.288 -4.688 1.00 0.00 O ATOM 0 H GLY B 4 -2.339 22.934 -3.052 1.00 0.00 H new ATOM 0 HA2 GLY B 4 -2.850 22.856 -5.541 1.00 0.00 H new ATOM 0 HA3 GLY B 4 -1.118 22.689 -5.753 1.00 0.00 H new ATOM 575 N GLY B 5 -3.292 20.506 -4.752 1.00 0.00 N ATOM 576 CA GLY B 5 -3.531 19.085 -4.519 1.00 0.00 C ATOM 577 C GLY B 5 -2.973 18.657 -3.167 1.00 0.00 C ATOM 578 O GLY B 5 -2.304 17.630 -3.052 1.00 0.00 O ATOM 0 H GLY B 5 -4.136 21.069 -4.856 1.00 0.00 H new ATOM 0 HA2 GLY B 5 -4.601 18.881 -4.557 1.00 0.00 H new ATOM 0 HA3 GLY B 5 -3.066 18.499 -5.312 1.00 0.00 H new ATOM 582 N MET B 6 -3.257 19.459 -2.143 1.00 0.00 N ATOM 583 CA MET B 6 -2.778 19.156 -0.796 1.00 0.00 C ATOM 584 C MET B 6 -3.536 17.966 -0.217 1.00 0.00 C ATOM 585 O MET B 6 -2.949 16.935 0.107 1.00 0.00 O ATOM 586 CB MET B 6 -2.968 20.365 0.122 1.00 0.00 C ATOM 587 CG MET B 6 -2.029 20.245 1.324 1.00 0.00 C ATOM 588 SD MET B 6 -2.191 21.717 2.366 1.00 0.00 S ATOM 589 CE MET B 6 -3.900 21.439 2.887 1.00 0.00 C ATOM 0 H MET B 6 -3.809 20.313 -2.218 1.00 0.00 H new ATOM 0 HA MET B 6 -1.717 18.913 -0.861 1.00 0.00 H new ATOM 0 HB2 MET B 6 -2.762 21.286 -0.424 1.00 0.00 H new ATOM 0 HB3 MET B 6 -4.003 20.420 0.459 1.00 0.00 H new ATOM 0 HG2 MET B 6 -2.270 19.351 1.899 1.00 0.00 H new ATOM 0 HG3 MET B 6 -0.999 20.138 0.985 1.00 0.00 H new ATOM 0 HE1 MET B 6 -4.010 21.715 3.936 1.00 0.00 H new ATOM 0 HE2 MET B 6 -4.569 22.048 2.279 1.00 0.00 H new ATOM 0 HE3 MET B 6 -4.152 20.386 2.761 1.00 0.00 H new ATOM 599 N ARG B 7 -4.851 18.125 -0.089 1.00 0.00 N ATOM 600 CA ARG B 7 -5.689 17.058 0.455 1.00 0.00 C ATOM 601 C ARG B 7 -6.047 16.045 -0.631 1.00 0.00 C ATOM 602 O ARG B 7 -6.263 14.867 -0.351 1.00 0.00 O ATOM 603 CB ARG B 7 -6.979 17.632 1.047 1.00 0.00 C ATOM 604 CG ARG B 7 -7.685 18.499 0.003 1.00 0.00 C ATOM 605 CD ARG B 7 -9.137 18.725 0.425 1.00 0.00 C ATOM 606 NE ARG B 7 -9.967 19.054 -0.737 1.00 0.00 N ATOM 607 CZ ARG B 7 -11.270 19.346 -0.622 1.00 0.00 C ATOM 608 NH1 ARG B 7 -11.866 19.353 0.546 1.00 0.00 N ATOM 609 NH2 ARG B 7 -11.959 19.631 -1.693 1.00 0.00 N ATOM 0 H ARG B 7 -5.355 18.972 -0.351 1.00 0.00 H new ATOM 0 HA ARG B 7 -5.121 16.560 1.241 1.00 0.00 H new ATOM 0 HB2 ARG B 7 -7.636 16.823 1.366 1.00 0.00 H new ATOM 0 HB3 ARG B 7 -6.751 18.225 1.933 1.00 0.00 H new ATOM 0 HG2 ARG B 7 -7.172 19.455 -0.098 1.00 0.00 H new ATOM 0 HG3 ARG B 7 -7.650 18.013 -0.972 1.00 0.00 H new ATOM 0 HD2 ARG B 7 -9.523 17.830 0.913 1.00 0.00 H new ATOM 0 HD3 ARG B 7 -9.188 19.533 1.155 1.00 0.00 H new ATOM 0 HE ARG B 7 -9.539 19.061 -1.663 1.00 0.00 H new ATOM 0 HH11 ARG B 7 -11.337 19.133 1.390 1.00 0.00 H new ATOM 0 HH12 ARG B 7 -12.859 19.578 0.611 1.00 0.00 H new ATOM 0 HH21 ARG B 7 -11.505 19.630 -2.607 1.00 0.00 H new ATOM 0 HH22 ARG B 7 -12.951 19.855 -1.617 1.00 0.00 H new ATOM 623 N ARG B 8 -6.108 16.516 -1.876 1.00 0.00 N ATOM 624 CA ARG B 8 -6.442 15.640 -2.995 1.00 0.00 C ATOM 625 C ARG B 8 -5.400 14.535 -3.139 1.00 0.00 C ATOM 626 O ARG B 8 -5.726 13.391 -3.457 1.00 0.00 O ATOM 627 CB ARG B 8 -6.506 16.437 -4.299 1.00 0.00 C ATOM 628 CG ARG B 8 -7.076 15.554 -5.412 1.00 0.00 C ATOM 629 CD ARG B 8 -6.651 16.109 -6.772 1.00 0.00 C ATOM 630 NE ARG B 8 -7.015 17.523 -6.890 1.00 0.00 N ATOM 631 CZ ARG B 8 -6.546 18.298 -7.877 1.00 0.00 C ATOM 632 NH1 ARG B 8 -5.734 17.823 -8.791 1.00 0.00 N ATOM 633 NH2 ARG B 8 -6.906 19.552 -7.931 1.00 0.00 N ATOM 0 H ARG B 8 -5.933 17.488 -2.132 1.00 0.00 H new ATOM 0 HA ARG B 8 -7.417 15.195 -2.793 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -7.130 17.321 -4.167 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -5.511 16.787 -4.572 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -6.719 14.530 -5.297 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -8.163 15.522 -5.344 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -5.574 15.994 -6.897 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -7.128 15.538 -7.569 1.00 0.00 H new ATOM 0 HE ARG B 8 -7.645 17.930 -6.199 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -5.447 16.845 -8.760 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -5.390 18.432 -9.533 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -7.538 19.932 -7.226 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -6.555 20.152 -8.678 1.00 0.00 H new ATOM 647 N LYS B 9 -4.140 14.892 -2.902 1.00 0.00 N ATOM 648 CA LYS B 9 -3.052 13.926 -3.008 1.00 0.00 C ATOM 649 C LYS B 9 -2.978 13.065 -1.750 1.00 0.00 C ATOM 650 O LYS B 9 -2.827 11.846 -1.823 1.00 0.00 O ATOM 651 CB LYS B 9 -1.715 14.643 -3.202 1.00 0.00 C ATOM 652 CG LYS B 9 -1.596 15.119 -4.651 1.00 0.00 C ATOM 653 CD LYS B 9 -1.056 13.982 -5.521 1.00 0.00 C ATOM 654 CE LYS B 9 -0.265 14.565 -6.692 1.00 0.00 C ATOM 655 NZ LYS B 9 0.548 13.490 -7.327 1.00 0.00 N ATOM 0 H LYS B 9 -3.850 15.834 -2.638 1.00 0.00 H new ATOM 0 HA LYS B 9 -3.250 13.291 -3.871 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -1.644 15.492 -2.522 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -0.892 13.971 -2.960 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -2.570 15.442 -5.020 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -0.932 15.981 -4.708 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -0.418 13.328 -4.927 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -1.879 13.372 -5.893 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -0.946 15.001 -7.423 1.00 0.00 H new ATOM 0 HE3 LYS B 9 0.384 15.368 -6.342 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 1.086 13.886 -8.124 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 1.207 13.094 -6.627 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -0.081 12.738 -7.674 1.00 0.00 H new ATOM 669 N ASN B 10 -3.084 13.716 -0.596 1.00 0.00 N ATOM 670 CA ASN B 10 -3.027 13.002 0.677 1.00 0.00 C ATOM 671 C ASN B 10 -4.221 12.064 0.817 1.00 0.00 C ATOM 672 O ASN B 10 -4.095 10.941 1.304 1.00 0.00 O ATOM 673 CB ASN B 10 -3.030 13.990 1.847 1.00 0.00 C ATOM 674 CG ASN B 10 -1.599 14.406 2.174 1.00 0.00 C ATOM 675 OD1 ASN B 10 -1.238 14.546 3.343 1.00 0.00 O ATOM 676 ND2 ASN B 10 -0.756 14.611 1.204 1.00 0.00 N ATOM 0 H ASN B 10 -3.208 14.725 -0.514 1.00 0.00 H new ATOM 0 HA ASN B 10 -2.105 12.421 0.695 1.00 0.00 H new ATOM 0 HB2 ASN B 10 -3.625 14.867 1.593 1.00 0.00 H new ATOM 0 HB3 ASN B 10 -3.494 13.532 2.721 1.00 0.00 H new ATOM 0 HD21 ASN B 10 0.203 14.888 1.412 1.00 0.00 H new ATOM 0 HD22 ASN B 10 -1.055 14.495 0.236 1.00 0.00 H new ATOM 683 N ASP B 11 -5.386 12.539 0.381 1.00 0.00 N ATOM 684 CA ASP B 11 -6.602 11.735 0.461 1.00 0.00 C ATOM 685 C ASP B 11 -6.463 10.475 -0.387 1.00 0.00 C ATOM 686 O ASP B 11 -6.739 9.367 0.071 1.00 0.00 O ATOM 687 CB ASP B 11 -7.808 12.538 -0.032 1.00 0.00 C ATOM 688 CG ASP B 11 -9.090 11.766 0.259 1.00 0.00 C ATOM 689 OD1 ASP B 11 -9.442 10.917 -0.545 1.00 0.00 O ATOM 690 OD2 ASP B 11 -9.701 12.033 1.280 1.00 0.00 O ATOM 0 H ASP B 11 -5.513 13.465 -0.027 1.00 0.00 H new ATOM 0 HA ASP B 11 -6.754 11.456 1.504 1.00 0.00 H new ATOM 0 HB2 ASP B 11 -7.837 13.510 0.461 1.00 0.00 H new ATOM 0 HB3 ASP B 11 -7.720 12.726 -1.102 1.00 0.00 H new ATOM 695 N THR B 12 -6.030 10.659 -1.631 1.00 0.00 N ATOM 696 CA THR B 12 -5.854 9.529 -2.541 1.00 0.00 C ATOM 697 C THR B 12 -4.790 8.575 -2.007 1.00 0.00 C ATOM 698 O THR B 12 -4.864 7.363 -2.211 1.00 0.00 O ATOM 699 CB THR B 12 -5.432 10.019 -3.928 1.00 0.00 C ATOM 700 OG1 THR B 12 -4.193 10.707 -3.828 1.00 0.00 O ATOM 701 CG2 THR B 12 -6.499 10.964 -4.483 1.00 0.00 C ATOM 0 H THR B 12 -5.797 11.568 -2.030 1.00 0.00 H new ATOM 0 HA THR B 12 -6.807 9.006 -2.615 1.00 0.00 H new ATOM 0 HB THR B 12 -5.322 9.166 -4.598 1.00 0.00 H new ATOM 0 HG1 THR B 12 -4.087 11.059 -2.920 1.00 0.00 H new ATOM 0 HG21 THR B 12 -6.198 11.313 -5.471 1.00 0.00 H new ATOM 0 HG22 THR B 12 -7.449 10.435 -4.559 1.00 0.00 H new ATOM 0 HG23 THR B 12 -6.611 11.818 -3.815 1.00 0.00 H new ATOM 709 N HIS B 13 -3.799 9.137 -1.321 1.00 0.00 N ATOM 710 CA HIS B 13 -2.721 8.328 -0.759 1.00 0.00 C ATOM 711 C HIS B 13 -3.260 7.383 0.308 1.00 0.00 C ATOM 712 O HIS B 13 -2.932 6.197 0.333 1.00 0.00 O ATOM 713 CB HIS B 13 -1.648 9.223 -0.135 1.00 0.00 C ATOM 714 CG HIS B 13 -0.688 9.679 -1.199 1.00 0.00 C ATOM 715 ND1 HIS B 13 -0.093 8.795 -2.085 1.00 0.00 N ATOM 716 CD2 HIS B 13 -0.212 10.922 -1.531 1.00 0.00 C ATOM 717 CE1 HIS B 13 0.704 9.512 -2.898 1.00 0.00 C ATOM 718 NE2 HIS B 13 0.668 10.815 -2.605 1.00 0.00 N ATOM 0 H HIS B 13 -3.719 10.138 -1.142 1.00 0.00 H new ATOM 0 HA HIS B 13 -2.283 7.746 -1.570 1.00 0.00 H new ATOM 0 HB2 HIS B 13 -2.113 10.085 0.343 1.00 0.00 H new ATOM 0 HB3 HIS B 13 -1.113 8.678 0.642 1.00 0.00 H new ATOM 0 HD1 HIS B 13 -0.234 7.785 -2.115 1.00 0.00 H new ATOM 0 HD2 HIS B 13 -0.479 11.843 -1.035 1.00 0.00 H new ATOM 0 HE1 HIS B 13 1.300 9.086 -3.691 1.00 0.00 H new ATOM 726 N GLN B 14 -4.091 7.926 1.191 1.00 0.00 N ATOM 727 CA GLN B 14 -4.677 7.130 2.268 1.00 0.00 C ATOM 728 C GLN B 14 -5.498 5.976 1.702 1.00 0.00 C ATOM 729 O GLN B 14 -5.444 4.852 2.202 1.00 0.00 O ATOM 730 CB GLN B 14 -5.582 7.999 3.144 1.00 0.00 C ATOM 731 CG GLN B 14 -4.724 8.966 3.964 1.00 0.00 C ATOM 732 CD GLN B 14 -5.411 9.255 5.294 1.00 0.00 C ATOM 733 OE1 GLN B 14 -4.953 8.811 6.346 1.00 0.00 O ATOM 734 NE2 GLN B 14 -6.496 9.982 5.309 1.00 0.00 N ATOM 0 H GLN B 14 -4.374 8.906 1.185 1.00 0.00 H new ATOM 0 HA GLN B 14 -3.860 6.731 2.868 1.00 0.00 H new ATOM 0 HB2 GLN B 14 -6.282 8.556 2.522 1.00 0.00 H new ATOM 0 HB3 GLN B 14 -6.176 7.370 3.808 1.00 0.00 H new ATOM 0 HG2 GLN B 14 -3.738 8.535 4.138 1.00 0.00 H new ATOM 0 HG3 GLN B 14 -4.574 9.893 3.411 1.00 0.00 H new ATOM 0 HE21 GLN B 14 -6.875 10.350 4.437 1.00 0.00 H new ATOM 0 HE22 GLN B 14 -6.964 10.182 6.193 1.00 0.00 H new ATOM 743 N GLN B 15 -6.262 6.266 0.652 1.00 0.00 N ATOM 744 CA GLN B 15 -7.094 5.244 0.023 1.00 0.00 C ATOM 745 C GLN B 15 -6.226 4.126 -0.544 1.00 0.00 C ATOM 746 O GLN B 15 -6.618 2.959 -0.547 1.00 0.00 O ATOM 747 CB GLN B 15 -7.925 5.852 -1.109 1.00 0.00 C ATOM 748 CG GLN B 15 -8.914 6.865 -0.529 1.00 0.00 C ATOM 749 CD GLN B 15 -10.175 6.892 -1.386 1.00 0.00 C ATOM 750 OE1 GLN B 15 -11.011 5.991 -1.302 1.00 0.00 O ATOM 751 NE2 GLN B 15 -10.366 7.881 -2.216 1.00 0.00 N ATOM 0 H GLN B 15 -6.322 7.189 0.223 1.00 0.00 H new ATOM 0 HA GLN B 15 -7.760 4.837 0.784 1.00 0.00 H new ATOM 0 HB2 GLN B 15 -7.272 6.339 -1.833 1.00 0.00 H new ATOM 0 HB3 GLN B 15 -8.462 5.067 -1.642 1.00 0.00 H new ATOM 0 HG2 GLN B 15 -9.165 6.598 0.498 1.00 0.00 H new ATOM 0 HG3 GLN B 15 -8.461 7.856 -0.499 1.00 0.00 H new ATOM 0 HE21 GLN B 15 -9.675 8.628 -2.287 1.00 0.00 H new ATOM 0 HE22 GLN B 15 -11.206 7.907 -2.794 1.00 0.00 H new ATOM 760 N ASP B 16 -5.043 4.496 -1.024 1.00 0.00 N ATOM 761 CA ASP B 16 -4.123 3.513 -1.595 1.00 0.00 C ATOM 762 C ASP B 16 -3.634 2.551 -0.515 1.00 0.00 C ATOM 763 O ASP B 16 -3.606 1.338 -0.713 1.00 0.00 O ATOM 764 CB ASP B 16 -2.916 4.214 -2.224 1.00 0.00 C ATOM 765 CG ASP B 16 -2.437 3.417 -3.432 1.00 0.00 C ATOM 766 OD1 ASP B 16 -2.156 2.241 -3.267 1.00 0.00 O ATOM 767 OD2 ASP B 16 -2.357 3.993 -4.504 1.00 0.00 O ATOM 0 H ASP B 16 -4.700 5.457 -1.031 1.00 0.00 H new ATOM 0 HA ASP B 16 -4.659 2.954 -2.362 1.00 0.00 H new ATOM 0 HB2 ASP B 16 -3.187 5.226 -2.527 1.00 0.00 H new ATOM 0 HB3 ASP B 16 -2.113 4.304 -1.493 1.00 0.00 H new ATOM 772 N ILE B 17 -3.250 3.109 0.630 1.00 0.00 N ATOM 773 CA ILE B 17 -2.760 2.296 1.745 1.00 0.00 C ATOM 774 C ILE B 17 -3.828 1.289 2.177 1.00 0.00 C ATOM 775 O ILE B 17 -3.699 0.086 1.956 1.00 0.00 O ATOM 776 CB ILE B 17 -2.374 3.212 2.935 1.00 0.00 C ATOM 777 CG1 ILE B 17 -0.960 3.755 2.707 1.00 0.00 C ATOM 778 CG2 ILE B 17 -2.408 2.450 4.276 1.00 0.00 C ATOM 779 CD1 ILE B 17 -1.038 5.102 1.985 1.00 0.00 C ATOM 0 H ILE B 17 -3.267 4.113 0.812 1.00 0.00 H new ATOM 0 HA ILE B 17 -1.877 1.746 1.420 1.00 0.00 H new ATOM 0 HB ILE B 17 -3.099 4.024 2.987 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -0.446 3.872 3.661 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -0.379 3.047 2.116 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -2.132 3.126 5.085 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -3.413 2.066 4.451 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -1.703 1.619 4.240 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -0.031 5.487 1.824 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -1.535 4.971 1.024 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -1.603 5.808 2.593 1.00 0.00 H new ATOM 791 N ASP B 18 -4.866 1.807 2.832 1.00 0.00 N ATOM 792 CA ASP B 18 -5.950 0.969 3.344 1.00 0.00 C ATOM 793 C ASP B 18 -6.415 -0.063 2.310 1.00 0.00 C ATOM 794 O ASP B 18 -6.878 -1.148 2.660 1.00 0.00 O ATOM 795 CB ASP B 18 -7.140 1.843 3.752 1.00 0.00 C ATOM 796 CG ASP B 18 -7.044 2.183 5.237 1.00 0.00 C ATOM 797 OD1 ASP B 18 -6.973 1.262 6.032 1.00 0.00 O ATOM 798 OD2 ASP B 18 -7.043 3.361 5.554 1.00 0.00 O ATOM 0 H ASP B 18 -4.979 2.803 3.021 1.00 0.00 H new ATOM 0 HA ASP B 18 -5.563 0.432 4.210 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -7.151 2.758 3.160 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -8.074 1.320 3.549 1.00 0.00 H new ATOM 803 N ASP B 19 -6.285 0.290 1.033 1.00 0.00 N ATOM 804 CA ASP B 19 -6.694 -0.612 -0.041 1.00 0.00 C ATOM 805 C ASP B 19 -5.650 -1.709 -0.238 1.00 0.00 C ATOM 806 O ASP B 19 -5.985 -2.862 -0.510 1.00 0.00 O ATOM 807 CB ASP B 19 -6.866 0.156 -1.353 1.00 0.00 C ATOM 808 CG ASP B 19 -7.487 -0.758 -2.403 1.00 0.00 C ATOM 809 OD1 ASP B 19 -8.435 -1.450 -2.071 1.00 0.00 O ATOM 810 OD2 ASP B 19 -7.007 -0.752 -3.524 1.00 0.00 O ATOM 0 H ASP B 19 -5.905 1.183 0.719 1.00 0.00 H new ATOM 0 HA ASP B 19 -7.647 -1.061 0.240 1.00 0.00 H new ATOM 0 HB2 ASP B 19 -7.500 1.028 -1.195 1.00 0.00 H new ATOM 0 HB3 ASP B 19 -5.900 0.523 -1.701 1.00 0.00 H new ATOM 815 N LEU B 20 -4.382 -1.336 -0.097 1.00 0.00 N ATOM 816 CA LEU B 20 -3.292 -2.294 -0.261 1.00 0.00 C ATOM 817 C LEU B 20 -3.271 -3.284 0.899 1.00 0.00 C ATOM 818 O LEU B 20 -3.215 -4.497 0.700 1.00 0.00 O ATOM 819 CB LEU B 20 -1.944 -1.570 -0.316 1.00 0.00 C ATOM 820 CG LEU B 20 -1.812 -0.832 -1.648 1.00 0.00 C ATOM 821 CD1 LEU B 20 -0.716 0.228 -1.538 1.00 0.00 C ATOM 822 CD2 LEU B 20 -1.445 -1.831 -2.748 1.00 0.00 C ATOM 0 H LEU B 20 -4.085 -0.387 0.128 1.00 0.00 H new ATOM 0 HA LEU B 20 -3.457 -2.830 -1.196 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -1.865 -0.865 0.511 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -1.130 -2.286 -0.203 1.00 0.00 H new ATOM 0 HG LEU B 20 -2.759 -0.351 -1.893 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -0.622 0.754 -2.488 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -0.975 0.939 -0.753 1.00 0.00 H new ATOM 0 HD13 LEU B 20 0.232 -0.252 -1.294 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -1.350 -1.307 -3.699 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -0.498 -2.311 -2.502 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -2.225 -2.588 -2.827 1.00 0.00 H new ATOM 834 N LYS B 21 -3.317 -2.749 2.117 1.00 0.00 N ATOM 835 CA LYS B 21 -3.301 -3.590 3.311 1.00 0.00 C ATOM 836 C LYS B 21 -4.514 -4.514 3.334 1.00 0.00 C ATOM 837 O LYS B 21 -4.424 -5.672 3.745 1.00 0.00 O ATOM 838 CB LYS B 21 -3.310 -2.725 4.573 1.00 0.00 C ATOM 839 CG LYS B 21 -1.956 -2.031 4.728 1.00 0.00 C ATOM 840 CD LYS B 21 -1.752 -1.626 6.189 1.00 0.00 C ATOM 841 CE LYS B 21 -0.286 -1.250 6.413 1.00 0.00 C ATOM 842 NZ LYS B 21 0.522 -2.487 6.601 1.00 0.00 N ATOM 0 H LYS B 21 -3.365 -1.747 2.302 1.00 0.00 H new ATOM 0 HA LYS B 21 -2.391 -4.190 3.286 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -4.106 -1.983 4.512 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -3.516 -3.342 5.448 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -1.155 -2.698 4.410 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -1.911 -1.151 4.086 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -2.397 -0.783 6.438 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -2.033 -2.447 6.848 1.00 0.00 H new ATOM 0 HE2 LYS B 21 0.089 -0.684 5.561 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -0.194 -0.607 7.288 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 1.497 -2.229 6.854 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 0.107 -3.060 7.363 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 0.527 -3.036 5.718 1.00 0.00 H new ATOM 856 N ARG B 22 -5.653 -3.990 2.888 1.00 0.00 N ATOM 857 CA ARG B 22 -6.882 -4.776 2.863 1.00 0.00 C ATOM 858 C ARG B 22 -6.800 -5.864 1.796 1.00 0.00 C ATOM 859 O ARG B 22 -7.230 -6.997 2.009 1.00 0.00 O ATOM 860 CB ARG B 22 -8.085 -3.879 2.567 1.00 0.00 C ATOM 861 CG ARG B 22 -9.378 -4.676 2.760 1.00 0.00 C ATOM 862 CD ARG B 22 -10.439 -4.185 1.772 1.00 0.00 C ATOM 863 NE ARG B 22 -11.268 -5.299 1.308 1.00 0.00 N ATOM 864 CZ ARG B 22 -12.131 -5.170 0.290 1.00 0.00 C ATOM 865 NH1 ARG B 22 -12.275 -4.028 -0.338 1.00 0.00 N ATOM 866 NH2 ARG B 22 -12.840 -6.200 -0.083 1.00 0.00 N ATOM 0 H ARG B 22 -5.750 -3.035 2.543 1.00 0.00 H new ATOM 0 HA ARG B 22 -7.005 -5.237 3.843 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -8.077 -3.013 3.229 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -8.027 -3.501 1.546 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -9.188 -5.738 2.606 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -9.738 -4.561 3.782 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -11.067 -3.432 2.249 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -9.956 -3.705 0.921 1.00 0.00 H new ATOM 0 HE ARG B 22 -11.186 -6.203 1.774 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -11.725 -3.217 -0.054 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -12.937 -3.951 -1.110 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -12.735 -7.093 0.399 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -13.499 -6.112 -0.856 1.00 0.00 H new ATOM 880 N GLN B 23 -6.238 -5.505 0.645 1.00 0.00 N ATOM 881 CA GLN B 23 -6.101 -6.459 -0.454 1.00 0.00 C ATOM 882 C GLN B 23 -5.009 -7.478 -0.143 1.00 0.00 C ATOM 883 O GLN B 23 -5.201 -8.683 -0.300 1.00 0.00 O ATOM 884 CB GLN B 23 -5.749 -5.730 -1.753 1.00 0.00 C ATOM 885 CG GLN B 23 -6.078 -6.626 -2.952 1.00 0.00 C ATOM 886 CD GLN B 23 -4.815 -7.344 -3.417 1.00 0.00 C ATOM 887 OE1 GLN B 23 -3.877 -7.530 -2.642 1.00 0.00 O ATOM 888 NE2 GLN B 23 -4.734 -7.763 -4.650 1.00 0.00 N ATOM 0 H GLN B 23 -5.874 -4.573 0.449 1.00 0.00 H new ATOM 0 HA GLN B 23 -7.054 -6.975 -0.574 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -6.307 -4.796 -1.820 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -4.691 -5.470 -1.760 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -6.841 -7.354 -2.676 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -6.488 -6.027 -3.765 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -5.511 -7.609 -5.293 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -3.894 -8.244 -4.971 1.00 0.00 H new ATOM 897 N ASN B 24 -3.860 -6.977 0.300 1.00 0.00 N ATOM 898 CA ASN B 24 -2.736 -7.850 0.630 1.00 0.00 C ATOM 899 C ASN B 24 -3.085 -8.745 1.815 1.00 0.00 C ATOM 900 O ASN B 24 -2.642 -9.890 1.898 1.00 0.00 O ATOM 901 CB ASN B 24 -1.499 -7.019 0.979 1.00 0.00 C ATOM 902 CG ASN B 24 -1.134 -6.121 -0.199 1.00 0.00 C ATOM 903 OD1 ASN B 24 -1.966 -5.846 -1.063 1.00 0.00 O ATOM 904 ND2 ASN B 24 0.077 -5.641 -0.284 1.00 0.00 N ATOM 0 H ASN B 24 -3.682 -5.982 0.438 1.00 0.00 H new ATOM 0 HA ASN B 24 -2.524 -8.469 -0.241 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -1.694 -6.413 1.864 1.00 0.00 H new ATOM 0 HB3 ASN B 24 -0.664 -7.676 1.220 1.00 0.00 H new ATOM 0 HD21 ASN B 24 0.333 -5.038 -1.066 1.00 0.00 H new ATOM 0 HD22 ASN B 24 0.767 -5.868 0.432 1.00 0.00 H new ATOM 911 N ALA B 25 -3.883 -8.208 2.733 1.00 0.00 N ATOM 912 CA ALA B 25 -4.287 -8.966 3.915 1.00 0.00 C ATOM 913 C ALA B 25 -5.084 -10.201 3.511 1.00 0.00 C ATOM 914 O ALA B 25 -4.807 -11.313 3.963 1.00 0.00 O ATOM 915 CB ALA B 25 -5.143 -8.100 4.840 1.00 0.00 C ATOM 0 H ALA B 25 -4.260 -7.261 2.684 1.00 0.00 H new ATOM 0 HA ALA B 25 -3.383 -9.274 4.441 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -5.435 -8.681 5.715 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -4.569 -7.229 5.157 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -6.036 -7.772 4.308 1.00 0.00 H new ATOM 921 N LEU B 26 -6.083 -9.993 2.657 1.00 0.00 N ATOM 922 CA LEU B 26 -6.921 -11.098 2.196 1.00 0.00 C ATOM 923 C LEU B 26 -6.086 -12.108 1.415 1.00 0.00 C ATOM 924 O LEU B 26 -6.353 -13.309 1.442 1.00 0.00 O ATOM 925 CB LEU B 26 -8.050 -10.574 1.295 1.00 0.00 C ATOM 926 CG LEU B 26 -9.322 -10.318 2.119 1.00 0.00 C ATOM 927 CD1 LEU B 26 -9.809 -11.626 2.746 1.00 0.00 C ATOM 928 CD2 LEU B 26 -9.033 -9.296 3.225 1.00 0.00 C ATOM 0 H LEU B 26 -6.331 -9.081 2.274 1.00 0.00 H new ATOM 0 HA LEU B 26 -7.352 -11.584 3.071 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -7.735 -9.652 0.806 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -8.260 -11.297 0.507 1.00 0.00 H new ATOM 0 HG LEU B 26 -10.095 -9.925 1.459 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -10.711 -11.437 3.328 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -10.030 -12.347 1.959 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -9.034 -12.028 3.398 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -9.940 -9.120 3.804 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -8.252 -9.681 3.881 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -8.701 -8.359 2.777 1.00 0.00 H new ATOM 940 N LEU B 27 -5.070 -11.607 0.716 1.00 0.00 N ATOM 941 CA LEU B 27 -4.200 -12.474 -0.073 1.00 0.00 C ATOM 942 C LEU B 27 -3.445 -13.440 0.836 1.00 0.00 C ATOM 943 O LEU B 27 -3.518 -14.657 0.671 1.00 0.00 O ATOM 944 CB LEU B 27 -3.190 -11.641 -0.866 1.00 0.00 C ATOM 945 CG LEU B 27 -3.773 -11.303 -2.238 1.00 0.00 C ATOM 946 CD1 LEU B 27 -2.986 -10.146 -2.858 1.00 0.00 C ATOM 947 CD2 LEU B 27 -3.677 -12.529 -3.149 1.00 0.00 C ATOM 0 H LEU B 27 -4.831 -10.616 0.680 1.00 0.00 H new ATOM 0 HA LEU B 27 -4.825 -13.039 -0.764 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -2.953 -10.725 -0.324 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -2.258 -12.194 -0.981 1.00 0.00 H new ATOM 0 HG LEU B 27 -4.818 -11.013 -2.126 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -3.402 -9.906 -3.836 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -3.053 -9.272 -2.210 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -1.941 -10.435 -2.970 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -4.093 -12.289 -4.128 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -2.632 -12.819 -3.260 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -4.238 -13.354 -2.709 1.00 0.00 H new ATOM 959 N GLU B 28 -2.718 -12.880 1.802 1.00 0.00 N ATOM 960 CA GLU B 28 -1.947 -13.696 2.740 1.00 0.00 C ATOM 961 C GLU B 28 -2.859 -14.673 3.482 1.00 0.00 C ATOM 962 O GLU B 28 -2.537 -15.851 3.636 1.00 0.00 O ATOM 963 CB GLU B 28 -1.237 -12.801 3.760 1.00 0.00 C ATOM 964 CG GLU B 28 -0.303 -13.648 4.630 1.00 0.00 C ATOM 965 CD GLU B 28 1.117 -13.581 4.076 1.00 0.00 C ATOM 966 OE1 GLU B 28 1.406 -14.323 3.153 1.00 0.00 O ATOM 967 OE2 GLU B 28 1.892 -12.787 4.583 1.00 0.00 O ATOM 0 H GLU B 28 -2.646 -11.874 1.955 1.00 0.00 H new ATOM 0 HA GLU B 28 -1.209 -14.259 2.169 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -0.668 -12.027 3.245 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -1.971 -12.293 4.386 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -0.320 -13.286 5.658 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -0.647 -14.682 4.650 1.00 0.00 H new ATOM 974 N GLN B 29 -4.002 -14.166 3.940 1.00 0.00 N ATOM 975 CA GLN B 29 -4.965 -14.997 4.669 1.00 0.00 C ATOM 976 C GLN B 29 -5.366 -16.216 3.840 1.00 0.00 C ATOM 977 O GLN B 29 -5.659 -17.282 4.381 1.00 0.00 O ATOM 978 CB GLN B 29 -6.219 -14.190 5.006 1.00 0.00 C ATOM 979 CG GLN B 29 -6.022 -13.475 6.346 1.00 0.00 C ATOM 980 CD GLN B 29 -7.357 -13.392 7.079 1.00 0.00 C ATOM 981 OE1 GLN B 29 -7.978 -12.330 7.132 1.00 0.00 O ATOM 982 NE2 GLN B 29 -7.840 -14.459 7.652 1.00 0.00 N ATOM 0 H GLN B 29 -4.285 -13.193 3.822 1.00 0.00 H new ATOM 0 HA GLN B 29 -4.486 -15.330 5.590 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -6.418 -13.462 4.219 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -7.086 -14.849 5.057 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -5.294 -14.013 6.954 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -5.623 -12.474 6.181 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -7.326 -15.339 7.608 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -8.732 -14.414 8.144 1.00 0.00 H new ATOM 991 N GLN B 30 -5.369 -16.046 2.520 1.00 0.00 N ATOM 992 CA GLN B 30 -5.729 -17.139 1.623 1.00 0.00 C ATOM 993 C GLN B 30 -4.493 -17.965 1.280 1.00 0.00 C ATOM 994 O GLN B 30 -4.563 -19.185 1.123 1.00 0.00 O ATOM 995 CB GLN B 30 -6.339 -16.595 0.330 1.00 0.00 C ATOM 996 CG GLN B 30 -7.274 -17.643 -0.275 1.00 0.00 C ATOM 997 CD GLN B 30 -8.161 -16.987 -1.329 1.00 0.00 C ATOM 998 OE1 GLN B 30 -9.371 -16.869 -1.144 1.00 0.00 O ATOM 999 NE2 GLN B 30 -7.623 -16.549 -2.434 1.00 0.00 N ATOM 0 H GLN B 30 -5.129 -15.172 2.053 1.00 0.00 H new ATOM 0 HA GLN B 30 -6.462 -17.766 2.130 1.00 0.00 H new ATOM 0 HB2 GLN B 30 -6.889 -15.676 0.534 1.00 0.00 H new ATOM 0 HB3 GLN B 30 -5.550 -16.344 -0.379 1.00 0.00 H new ATOM 0 HG2 GLN B 30 -6.693 -18.448 -0.724 1.00 0.00 H new ATOM 0 HG3 GLN B 30 -7.889 -18.091 0.506 1.00 0.00 H new ATOM 0 HE21 GLN B 30 -6.619 -16.647 -2.586 1.00 0.00 H new ATOM 0 HE22 GLN B 30 -8.206 -16.108 -3.145 1.00 0.00 H new ATOM 1008 N VAL B 31 -3.357 -17.282 1.171 1.00 0.00 N ATOM 1009 CA VAL B 31 -2.099 -17.952 0.851 1.00 0.00 C ATOM 1010 C VAL B 31 -1.648 -18.816 2.029 1.00 0.00 C ATOM 1011 O VAL B 31 -1.037 -19.869 1.847 1.00 0.00 O ATOM 1012 CB VAL B 31 -1.013 -16.917 0.531 1.00 0.00 C ATOM 1013 CG1 VAL B 31 0.275 -17.626 0.103 1.00 0.00 C ATOM 1014 CG2 VAL B 31 -1.494 -16.002 -0.605 1.00 0.00 C ATOM 0 H VAL B 31 -3.281 -16.273 1.298 1.00 0.00 H new ATOM 0 HA VAL B 31 -2.257 -18.587 -0.021 1.00 0.00 H new ATOM 0 HB VAL B 31 -0.815 -16.321 1.422 1.00 0.00 H new ATOM 0 HG11 VAL B 31 1.041 -16.884 -0.122 1.00 0.00 H new ATOM 0 HG12 VAL B 31 0.621 -18.271 0.911 1.00 0.00 H new ATOM 0 HG13 VAL B 31 0.081 -18.228 -0.784 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -0.722 -15.267 -0.832 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -1.697 -16.601 -1.493 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -2.405 -15.488 -0.298 1.00 0.00 H new ATOM 1024 N ARG B 32 -1.957 -18.355 3.238 1.00 0.00 N ATOM 1025 CA ARG B 32 -1.579 -19.091 4.442 1.00 0.00 C ATOM 1026 C ARG B 32 -2.383 -20.383 4.550 1.00 0.00 C ATOM 1027 O ARG B 32 -1.826 -21.463 4.748 1.00 0.00 O ATOM 1028 CB ARG B 32 -1.830 -18.241 5.689 1.00 0.00 C ATOM 1029 CG ARG B 32 -1.127 -18.876 6.892 1.00 0.00 C ATOM 1030 CD ARG B 32 -2.117 -19.759 7.656 1.00 0.00 C ATOM 1031 NE ARG B 32 -1.434 -20.919 8.237 1.00 0.00 N ATOM 1032 CZ ARG B 32 -2.076 -21.818 8.995 1.00 0.00 C ATOM 1033 NH1 ARG B 32 -3.356 -21.699 9.256 1.00 0.00 N ATOM 1034 NH2 ARG B 32 -1.415 -22.832 9.484 1.00 0.00 N ATOM 0 H ARG B 32 -2.462 -17.486 3.410 1.00 0.00 H new ATOM 0 HA ARG B 32 -0.517 -19.329 4.373 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -1.460 -17.228 5.532 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -2.900 -18.163 5.879 1.00 0.00 H new ATOM 0 HG2 ARG B 32 -0.277 -19.470 6.557 1.00 0.00 H new ATOM 0 HG3 ARG B 32 -0.735 -18.100 7.549 1.00 0.00 H new ATOM 0 HD2 ARG B 32 -2.595 -19.179 8.445 1.00 0.00 H new ATOM 0 HD3 ARG B 32 -2.907 -20.095 6.984 1.00 0.00 H new ATOM 0 HE ARG B 32 -0.438 -21.046 8.058 1.00 0.00 H new ATOM 0 HH11 ARG B 32 -3.882 -20.910 8.879 1.00 0.00 H new ATOM 0 HH12 ARG B 32 -3.825 -22.395 9.835 1.00 0.00 H new ATOM 0 HH21 ARG B 32 -0.419 -22.934 9.288 1.00 0.00 H new ATOM 0 HH22 ARG B 32 -1.894 -23.522 10.062 1.00 0.00 H new ATOM 1048 N ALA B 33 -3.700 -20.258 4.417 1.00 0.00 N ATOM 1049 CA ALA B 33 -4.578 -21.423 4.503 1.00 0.00 C ATOM 1050 C ALA B 33 -4.287 -22.394 3.364 1.00 0.00 C ATOM 1051 O ALA B 33 -4.325 -23.612 3.541 1.00 0.00 O ATOM 1052 CB ALA B 33 -6.045 -20.994 4.431 1.00 0.00 C ATOM 0 H ALA B 33 -4.180 -19.373 4.251 1.00 0.00 H new ATOM 0 HA ALA B 33 -4.391 -21.916 5.457 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -6.685 -21.874 4.496 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -6.268 -20.321 5.259 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -6.228 -20.481 3.487 1.00 0.00 H new ATOM 1058 N LEU B 34 -3.996 -21.841 2.191 1.00 0.00 N ATOM 1059 CA LEU B 34 -3.699 -22.667 1.023 1.00 0.00 C ATOM 1060 C LEU B 34 -2.193 -22.738 0.790 1.00 0.00 C ATOM 1061 O LEU B 34 -1.735 -22.890 -0.342 1.00 0.00 O ATOM 1062 CB LEU B 34 -4.369 -22.090 -0.225 1.00 0.00 C ATOM 1063 CG LEU B 34 -5.874 -22.352 -0.165 1.00 0.00 C ATOM 1064 CD1 LEU B 34 -6.592 -21.459 -1.177 1.00 0.00 C ATOM 1065 CD2 LEU B 34 -6.147 -23.821 -0.500 1.00 0.00 C ATOM 0 H LEU B 34 -3.959 -20.836 2.023 1.00 0.00 H new ATOM 0 HA LEU B 34 -4.086 -23.668 1.212 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -4.178 -21.019 -0.290 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -3.946 -22.545 -1.121 1.00 0.00 H new ATOM 0 HG LEU B 34 -6.241 -22.130 0.837 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -7.665 -21.648 -1.132 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -6.398 -20.413 -0.941 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -6.227 -21.679 -2.180 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -7.220 -24.011 -0.458 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -5.779 -24.040 -1.502 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -5.637 -24.460 0.221 1.00 0.00 H new HETATM 1077 N NH2 B 35 -1.384 -22.636 1.810 1.00 0.00 N TER 1080 NH2 B 35