USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 721 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 78 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 5 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 166:sc= -1.4! USER MOD Single : A 11 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.00481) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl -159:sc= -0.0455 (180deg=-0.382) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 GLN : amide:sc= -0.0463 X(o=-0.046,f=-0.47) USER MOD Single : A 30 GLN : amide:sc= -0.981 K(o=-0.98,f=-2.4!) USER MOD Single : A 31 ASN :FLIP amide:sc= -0.134 F(o=-0.96,f=-0.13) USER MOD Single : A 33 SER OG : rot 180:sc= 0.0929 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 132:sc= 0.715 USER MOD Single : A 39 SER OG : rot 180:sc= -0.0301 USER MOD Single : A 40 LYS NZ :NH3+ -151:sc= -0.216 (180deg=-1.24!) USER MOD Single : A 41 THR OG1 : rot 76:sc= 1.27 USER MOD Single : A 44 GLN : amide:sc= -0.644 K(o=-0.64,f=-2!) USER MOD Single : A 49 GLN : amide:sc= -1.13 K(o=-1.1,f=-2.1) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 149:sc= -0.107 (180deg=-1.37!) USER MOD Single : A 58 ASN : amide:sc= -2.68! C(o=-2.7!,f=-3.4!) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.0491 K(o=-0.049,f=-1.2) USER MOD Single : A 74 THR OG1 : rot 61:sc= 0.337 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 84:sc= 0.0185 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= -0.486 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.764 16.551 -10.744 1.00 0.00 N ATOM 2 CA GLY A 1 20.773 16.875 -9.734 1.00 0.00 C ATOM 3 C GLY A 1 20.800 15.911 -8.564 1.00 0.00 C ATOM 4 O GLY A 1 21.687 15.981 -7.714 1.00 0.00 O ATOM 0 H1 GLY A 1 21.705 17.239 -11.522 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.714 16.586 -10.322 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.584 15.595 -11.113 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.947 17.888 -9.370 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.781 16.865 -10.186 1.00 0.00 H new ATOM 8 N SER A 2 19.823 15.010 -8.520 1.00 0.00 N ATOM 9 CA SER A 2 19.736 14.032 -7.443 1.00 0.00 C ATOM 10 C SER A 2 19.239 12.688 -7.968 1.00 0.00 C ATOM 11 O SER A 2 18.568 12.622 -8.999 1.00 0.00 O ATOM 12 CB SER A 2 18.803 14.537 -6.341 1.00 0.00 C ATOM 13 OG SER A 2 19.274 15.755 -5.792 1.00 0.00 O ATOM 0 H SER A 2 19.082 14.938 -9.217 1.00 0.00 H new ATOM 0 HA SER A 2 20.735 13.895 -7.029 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.801 14.680 -6.746 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.724 13.786 -5.555 1.00 0.00 H new ATOM 0 HG SER A 2 18.659 16.057 -5.091 1.00 0.00 H new ATOM 19 N SER A 3 19.572 11.619 -7.252 1.00 0.00 N ATOM 20 CA SER A 3 19.165 10.276 -7.647 1.00 0.00 C ATOM 21 C SER A 3 17.949 9.821 -6.846 1.00 0.00 C ATOM 22 O SER A 3 17.880 8.676 -6.399 1.00 0.00 O ATOM 23 CB SER A 3 20.318 9.291 -7.449 1.00 0.00 C ATOM 24 OG SER A 3 21.471 9.706 -8.162 1.00 0.00 O ATOM 0 H SER A 3 20.123 11.657 -6.395 1.00 0.00 H new ATOM 0 HA SER A 3 18.896 10.300 -8.703 1.00 0.00 H new ATOM 0 HB2 SER A 3 20.553 9.209 -6.388 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.015 8.299 -7.786 1.00 0.00 H new ATOM 0 HG SER A 3 22.195 9.061 -8.018 1.00 0.00 H new ATOM 30 N GLY A 4 16.991 10.726 -6.669 1.00 0.00 N ATOM 31 CA GLY A 4 15.791 10.399 -5.923 1.00 0.00 C ATOM 32 C GLY A 4 14.673 11.396 -6.155 1.00 0.00 C ATOM 33 O GLY A 4 14.921 12.530 -6.565 1.00 0.00 O ATOM 0 H GLY A 4 17.025 11.680 -7.029 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.450 9.403 -6.207 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.027 10.363 -4.859 1.00 0.00 H new ATOM 37 N SER A 5 13.440 10.973 -5.897 1.00 0.00 N ATOM 38 CA SER A 5 12.280 11.836 -6.086 1.00 0.00 C ATOM 39 C SER A 5 11.965 12.611 -4.811 1.00 0.00 C ATOM 40 O SER A 5 11.348 12.084 -3.887 1.00 0.00 O ATOM 41 CB SER A 5 11.065 11.006 -6.505 1.00 0.00 C ATOM 42 OG SER A 5 11.255 10.433 -7.787 1.00 0.00 O ATOM 0 H SER A 5 13.218 10.037 -5.556 1.00 0.00 H new ATOM 0 HA SER A 5 12.514 12.550 -6.875 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.890 10.217 -5.773 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.176 11.636 -6.513 1.00 0.00 H new ATOM 0 HG SER A 5 10.465 9.906 -8.030 1.00 0.00 H new ATOM 48 N SER A 6 12.397 13.868 -4.769 1.00 0.00 N ATOM 49 CA SER A 6 12.166 14.717 -3.606 1.00 0.00 C ATOM 50 C SER A 6 10.795 15.381 -3.682 1.00 0.00 C ATOM 51 O SER A 6 10.668 16.521 -4.128 1.00 0.00 O ATOM 52 CB SER A 6 13.256 15.784 -3.502 1.00 0.00 C ATOM 53 OG SER A 6 13.290 16.355 -2.205 1.00 0.00 O ATOM 0 H SER A 6 12.909 14.320 -5.527 1.00 0.00 H new ATOM 0 HA SER A 6 12.197 14.088 -2.716 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.225 15.342 -3.733 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.077 16.564 -4.242 1.00 0.00 H new ATOM 0 HG SER A 6 13.996 17.033 -2.165 1.00 0.00 H new ATOM 59 N GLY A 7 9.768 14.659 -3.243 1.00 0.00 N ATOM 60 CA GLY A 7 8.419 15.193 -3.270 1.00 0.00 C ATOM 61 C GLY A 7 7.514 14.535 -2.246 1.00 0.00 C ATOM 62 O GLY A 7 7.103 13.388 -2.419 1.00 0.00 O ATOM 0 H GLY A 7 9.847 13.713 -2.869 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.453 16.266 -3.084 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.997 15.055 -4.265 1.00 0.00 H new ATOM 66 N SER A 8 7.206 15.262 -1.178 1.00 0.00 N ATOM 67 CA SER A 8 6.349 14.741 -0.120 1.00 0.00 C ATOM 68 C SER A 8 5.069 14.147 -0.700 1.00 0.00 C ATOM 69 O SER A 8 4.661 13.046 -0.332 1.00 0.00 O ATOM 70 CB SER A 8 6.004 15.848 0.879 1.00 0.00 C ATOM 71 OG SER A 8 5.180 15.356 1.921 1.00 0.00 O ATOM 0 H SER A 8 7.537 16.214 -1.022 1.00 0.00 H new ATOM 0 HA SER A 8 6.893 13.951 0.398 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.921 16.261 1.300 1.00 0.00 H new ATOM 0 HB3 SER A 8 5.496 16.662 0.363 1.00 0.00 H new ATOM 0 HG SER A 8 5.157 16.006 2.654 1.00 0.00 H new ATOM 77 N ILE A 9 4.442 14.886 -1.608 1.00 0.00 N ATOM 78 CA ILE A 9 3.209 14.432 -2.242 1.00 0.00 C ATOM 79 C ILE A 9 3.447 13.177 -3.074 1.00 0.00 C ATOM 80 O ILE A 9 2.823 12.140 -2.845 1.00 0.00 O ATOM 81 CB ILE A 9 2.605 15.525 -3.143 1.00 0.00 C ATOM 82 CG1 ILE A 9 2.350 16.800 -2.336 1.00 0.00 C ATOM 83 CG2 ILE A 9 1.316 15.030 -3.784 1.00 0.00 C ATOM 84 CD1 ILE A 9 1.332 16.621 -1.230 1.00 0.00 C ATOM 0 H ILE A 9 4.766 15.801 -1.922 1.00 0.00 H new ATOM 0 HA ILE A 9 2.507 14.204 -1.440 1.00 0.00 H new ATOM 0 HB ILE A 9 3.317 15.756 -3.935 1.00 0.00 H new ATOM 0 HG12 ILE A 9 3.290 17.140 -1.902 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.008 17.585 -3.010 1.00 0.00 H new ATOM 0 HG21 ILE A 9 0.901 15.813 -4.418 1.00 0.00 H new ATOM 0 HG22 ILE A 9 1.526 14.147 -4.388 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.597 14.774 -3.005 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.201 17.564 -0.700 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.379 16.311 -1.659 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.682 15.859 -0.534 1.00 0.00 H new ATOM 96 N LEU A 10 4.356 13.276 -4.038 1.00 0.00 N ATOM 97 CA LEU A 10 4.679 12.148 -4.903 1.00 0.00 C ATOM 98 C LEU A 10 4.866 10.873 -4.089 1.00 0.00 C ATOM 99 O LEU A 10 4.329 9.819 -4.431 1.00 0.00 O ATOM 100 CB LEU A 10 5.946 12.443 -5.708 1.00 0.00 C ATOM 101 CG LEU A 10 5.743 13.175 -7.035 1.00 0.00 C ATOM 102 CD1 LEU A 10 7.046 13.803 -7.504 1.00 0.00 C ATOM 103 CD2 LEU A 10 5.198 12.222 -8.090 1.00 0.00 C ATOM 0 H LEU A 10 4.882 14.126 -4.240 1.00 0.00 H new ATOM 0 HA LEU A 10 3.846 11.999 -5.590 1.00 0.00 H new ATOM 0 HB2 LEU A 10 6.617 13.037 -5.087 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.452 11.499 -5.911 1.00 0.00 H new ATOM 0 HG LEU A 10 5.015 13.972 -6.881 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.881 14.319 -8.450 1.00 0.00 H new ATOM 0 HD12 LEU A 10 7.396 14.516 -6.757 1.00 0.00 H new ATOM 0 HD13 LEU A 10 7.796 13.024 -7.642 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.059 12.759 -9.028 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.903 11.404 -8.241 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.241 11.820 -7.757 1.00 0.00 H new ATOM 115 N LYS A 11 5.631 10.975 -3.007 1.00 0.00 N ATOM 116 CA LYS A 11 5.887 9.831 -2.140 1.00 0.00 C ATOM 117 C LYS A 11 4.589 9.109 -1.793 1.00 0.00 C ATOM 118 O LYS A 11 4.464 7.902 -2.003 1.00 0.00 O ATOM 119 CB LYS A 11 6.588 10.285 -0.857 1.00 0.00 C ATOM 120 CG LYS A 11 8.103 10.289 -0.961 1.00 0.00 C ATOM 121 CD LYS A 11 8.752 10.692 0.352 1.00 0.00 C ATOM 122 CE LYS A 11 10.215 11.063 0.161 1.00 0.00 C ATOM 123 NZ LYS A 11 10.372 12.436 -0.393 1.00 0.00 N ATOM 0 H LYS A 11 6.085 11.839 -2.710 1.00 0.00 H new ATOM 0 HA LYS A 11 6.535 9.138 -2.677 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.247 11.288 -0.602 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.290 9.630 -0.039 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.451 9.297 -1.250 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.413 10.978 -1.747 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.214 11.538 0.780 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.674 9.871 1.065 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.734 10.996 1.117 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.687 10.345 -0.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.248 12.487 -0.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.560 12.659 -1.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.418 13.122 0.387 1.00 0.00 H new ATOM 137 N ILE A 12 3.625 9.856 -1.264 1.00 0.00 N ATOM 138 CA ILE A 12 2.335 9.285 -0.891 1.00 0.00 C ATOM 139 C ILE A 12 1.621 8.704 -2.106 1.00 0.00 C ATOM 140 O ILE A 12 0.925 7.694 -2.003 1.00 0.00 O ATOM 141 CB ILE A 12 1.426 10.337 -0.229 1.00 0.00 C ATOM 142 CG1 ILE A 12 2.103 10.921 1.012 1.00 0.00 C ATOM 143 CG2 ILE A 12 0.083 9.722 0.133 1.00 0.00 C ATOM 144 CD1 ILE A 12 1.370 12.106 1.600 1.00 0.00 C ATOM 0 H ILE A 12 3.712 10.856 -1.084 1.00 0.00 H new ATOM 0 HA ILE A 12 2.536 8.488 -0.175 1.00 0.00 H new ATOM 0 HB ILE A 12 1.254 11.146 -0.939 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.186 10.143 1.771 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.118 11.224 0.754 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.549 10.477 0.600 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.402 9.351 -0.770 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.236 8.897 0.828 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.907 12.468 2.477 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.310 12.902 0.857 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.364 11.804 1.890 1.00 0.00 H new ATOM 156 N GLU A 13 1.799 9.346 -3.256 1.00 0.00 N ATOM 157 CA GLU A 13 1.172 8.891 -4.491 1.00 0.00 C ATOM 158 C GLU A 13 1.711 7.523 -4.902 1.00 0.00 C ATOM 159 O GLU A 13 0.946 6.595 -5.166 1.00 0.00 O ATOM 160 CB GLU A 13 1.408 9.903 -5.613 1.00 0.00 C ATOM 161 CG GLU A 13 0.461 11.090 -5.571 1.00 0.00 C ATOM 162 CD GLU A 13 -0.997 10.675 -5.583 1.00 0.00 C ATOM 163 OE1 GLU A 13 -1.553 10.428 -4.493 1.00 0.00 O ATOM 164 OE2 GLU A 13 -1.582 10.594 -6.684 1.00 0.00 O ATOM 0 H GLU A 13 2.373 10.183 -3.358 1.00 0.00 H new ATOM 0 HA GLU A 13 0.100 8.802 -4.313 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.434 10.265 -5.554 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.303 9.399 -6.574 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.660 11.677 -4.674 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.658 11.737 -6.426 1.00 0.00 H new ATOM 171 N LYS A 14 3.033 7.406 -4.956 1.00 0.00 N ATOM 172 CA LYS A 14 3.676 6.155 -5.335 1.00 0.00 C ATOM 173 C LYS A 14 3.200 5.008 -4.449 1.00 0.00 C ATOM 174 O LYS A 14 2.717 3.988 -4.942 1.00 0.00 O ATOM 175 CB LYS A 14 5.198 6.289 -5.238 1.00 0.00 C ATOM 176 CG LYS A 14 5.773 7.359 -6.150 1.00 0.00 C ATOM 177 CD LYS A 14 7.286 7.438 -6.032 1.00 0.00 C ATOM 178 CE LYS A 14 7.822 8.741 -6.603 1.00 0.00 C ATOM 179 NZ LYS A 14 7.885 8.710 -8.091 1.00 0.00 N ATOM 0 H LYS A 14 3.681 8.164 -4.742 1.00 0.00 H new ATOM 0 HA LYS A 14 3.401 5.933 -6.366 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.469 6.518 -4.207 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.655 5.330 -5.483 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.498 7.144 -7.183 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.337 8.326 -5.899 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.575 7.352 -4.985 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.737 6.596 -6.557 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.186 9.566 -6.284 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.817 8.931 -6.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.255 9.616 -8.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.512 7.938 -8.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.931 8.554 -8.476 1.00 0.00 H new ATOM 193 N VAL A 15 3.337 5.182 -3.138 1.00 0.00 N ATOM 194 CA VAL A 15 2.917 4.163 -2.184 1.00 0.00 C ATOM 195 C VAL A 15 1.630 3.483 -2.636 1.00 0.00 C ATOM 196 O VAL A 15 1.398 2.310 -2.341 1.00 0.00 O ATOM 197 CB VAL A 15 2.702 4.763 -0.781 1.00 0.00 C ATOM 198 CG1 VAL A 15 2.316 3.677 0.211 1.00 0.00 C ATOM 199 CG2 VAL A 15 3.952 5.496 -0.319 1.00 0.00 C ATOM 0 H VAL A 15 3.736 6.019 -2.713 1.00 0.00 H new ATOM 0 HA VAL A 15 3.717 3.424 -2.137 1.00 0.00 H new ATOM 0 HB VAL A 15 1.884 5.482 -0.834 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.168 4.120 1.196 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.392 3.199 -0.114 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.111 2.933 0.263 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.783 5.914 0.674 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.789 4.799 -0.282 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.181 6.301 -1.017 1.00 0.00 H new ATOM 209 N LEU A 16 0.796 4.226 -3.354 1.00 0.00 N ATOM 210 CA LEU A 16 -0.470 3.695 -3.849 1.00 0.00 C ATOM 211 C LEU A 16 -0.348 3.268 -5.308 1.00 0.00 C ATOM 212 O LEU A 16 -0.984 2.307 -5.740 1.00 0.00 O ATOM 213 CB LEU A 16 -1.576 4.741 -3.703 1.00 0.00 C ATOM 214 CG LEU A 16 -1.930 5.149 -2.272 1.00 0.00 C ATOM 215 CD1 LEU A 16 -2.686 6.468 -2.264 1.00 0.00 C ATOM 216 CD2 LEU A 16 -2.747 4.059 -1.593 1.00 0.00 C ATOM 0 H LEU A 16 0.973 5.198 -3.607 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.726 2.819 -3.253 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.278 5.635 -4.251 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.476 4.358 -4.184 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.004 5.282 -1.713 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.929 6.742 -1.237 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.066 7.246 -2.710 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.606 6.364 -2.839 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.990 4.367 -0.576 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.668 3.893 -2.152 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.169 3.135 -1.565 1.00 0.00 H new ATOM 228 N LYS A 17 0.476 3.987 -6.063 1.00 0.00 N ATOM 229 CA LYS A 17 0.686 3.682 -7.473 1.00 0.00 C ATOM 230 C LYS A 17 0.942 2.192 -7.674 1.00 0.00 C ATOM 231 O LYS A 17 0.213 1.521 -8.405 1.00 0.00 O ATOM 232 CB LYS A 17 1.862 4.491 -8.022 1.00 0.00 C ATOM 233 CG LYS A 17 2.056 4.343 -9.521 1.00 0.00 C ATOM 234 CD LYS A 17 2.772 5.547 -10.112 1.00 0.00 C ATOM 235 CE LYS A 17 3.381 5.222 -11.468 1.00 0.00 C ATOM 236 NZ LYS A 17 3.846 6.448 -12.174 1.00 0.00 N ATOM 0 H LYS A 17 1.010 4.786 -5.721 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.219 3.954 -8.017 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.709 5.544 -7.786 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.775 4.180 -7.514 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.630 3.440 -9.727 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.086 4.222 -10.004 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.070 6.374 -10.216 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.555 5.877 -9.430 1.00 0.00 H new ATOM 0 HE2 LYS A 17 4.220 4.539 -11.335 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.644 4.706 -12.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.255 6.185 -13.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.041 7.089 -12.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.568 6.927 -11.599 1.00 0.00 H new ATOM 250 N ARG A 18 1.980 1.681 -7.021 1.00 0.00 N ATOM 251 CA ARG A 18 2.331 0.269 -7.129 1.00 0.00 C ATOM 252 C ARG A 18 1.220 -0.612 -6.565 1.00 0.00 C ATOM 253 O ARG A 18 0.800 -1.580 -7.198 1.00 0.00 O ATOM 254 CB ARG A 18 3.642 -0.010 -6.393 1.00 0.00 C ATOM 255 CG ARG A 18 4.174 -1.417 -6.607 1.00 0.00 C ATOM 256 CD ARG A 18 4.795 -1.574 -7.986 1.00 0.00 C ATOM 257 NE ARG A 18 5.099 -2.970 -8.294 1.00 0.00 N ATOM 258 CZ ARG A 18 5.722 -3.359 -9.401 1.00 0.00 C ATOM 259 NH1 ARG A 18 6.106 -2.464 -10.299 1.00 0.00 N ATOM 260 NH2 ARG A 18 5.962 -4.647 -9.609 1.00 0.00 N ATOM 0 H ARG A 18 2.593 2.223 -6.412 1.00 0.00 H new ATOM 0 HA ARG A 18 2.458 0.031 -8.185 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.394 0.707 -6.723 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.492 0.154 -5.326 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.918 -1.646 -5.844 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.363 -2.136 -6.488 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.113 -1.177 -8.738 1.00 0.00 H new ATOM 0 HD3 ARG A 18 5.709 -0.983 -8.041 1.00 0.00 H new ATOM 0 HE ARG A 18 4.818 -3.684 -7.623 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.924 -1.473 -10.142 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.584 -2.766 -11.148 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.668 -5.338 -8.919 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.440 -4.946 -10.459 1.00 0.00 H new ATOM 274 N MET A 19 0.751 -0.270 -5.370 1.00 0.00 N ATOM 275 CA MET A 19 -0.311 -1.029 -4.720 1.00 0.00 C ATOM 276 C MET A 19 -1.380 -1.440 -5.728 1.00 0.00 C ATOM 277 O MET A 19 -1.598 -2.629 -5.967 1.00 0.00 O ATOM 278 CB MET A 19 -0.942 -0.206 -3.596 1.00 0.00 C ATOM 279 CG MET A 19 -1.857 -1.015 -2.690 1.00 0.00 C ATOM 280 SD MET A 19 -3.529 -1.166 -3.346 1.00 0.00 S ATOM 281 CE MET A 19 -4.145 0.497 -3.091 1.00 0.00 C ATOM 0 H MET A 19 1.089 0.528 -4.832 1.00 0.00 H new ATOM 0 HA MET A 19 0.129 -1.931 -4.295 1.00 0.00 H new ATOM 0 HB2 MET A 19 -0.150 0.239 -2.994 1.00 0.00 H new ATOM 0 HB3 MET A 19 -1.510 0.615 -4.033 1.00 0.00 H new ATOM 0 HG2 MET A 19 -1.435 -2.010 -2.549 1.00 0.00 H new ATOM 0 HG3 MET A 19 -1.898 -0.544 -1.708 1.00 0.00 H new ATOM 0 HE1 MET A 19 -5.235 0.485 -3.087 1.00 0.00 H new ATOM 0 HE2 MET A 19 -3.783 0.877 -2.135 1.00 0.00 H new ATOM 0 HE3 MET A 19 -3.792 1.143 -3.895 1.00 0.00 H new ATOM 291 N ARG A 20 -2.044 -0.450 -6.316 1.00 0.00 N ATOM 292 CA ARG A 20 -3.091 -0.709 -7.297 1.00 0.00 C ATOM 293 C ARG A 20 -2.682 -1.834 -8.244 1.00 0.00 C ATOM 294 O ARG A 20 -3.371 -2.847 -8.353 1.00 0.00 O ATOM 295 CB ARG A 20 -3.398 0.559 -8.094 1.00 0.00 C ATOM 296 CG ARG A 20 -4.250 1.565 -7.337 1.00 0.00 C ATOM 297 CD ARG A 20 -4.827 2.619 -8.268 1.00 0.00 C ATOM 298 NE ARG A 20 -3.782 3.371 -8.958 1.00 0.00 N ATOM 299 CZ ARG A 20 -3.983 4.554 -9.528 1.00 0.00 C ATOM 300 NH1 ARG A 20 -5.183 5.118 -9.488 1.00 0.00 N ATOM 301 NH2 ARG A 20 -2.982 5.177 -10.136 1.00 0.00 N ATOM 0 H ARG A 20 -1.875 0.539 -6.130 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.989 -1.018 -6.761 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.460 1.034 -8.380 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.910 0.283 -9.016 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.061 1.045 -6.827 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -3.647 2.048 -6.568 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.473 2.139 -9.003 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.450 3.306 -7.696 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.847 2.966 -9.005 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.954 4.643 -9.019 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.334 6.026 -9.926 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.057 4.748 -10.166 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.137 6.085 -10.573 1.00 0.00 H new ATOM 315 N GLU A 21 -1.557 -1.645 -8.928 1.00 0.00 N ATOM 316 CA GLU A 21 -1.059 -2.643 -9.866 1.00 0.00 C ATOM 317 C GLU A 21 -1.039 -4.029 -9.229 1.00 0.00 C ATOM 318 O GLU A 21 -1.680 -4.958 -9.721 1.00 0.00 O ATOM 319 CB GLU A 21 0.346 -2.268 -10.343 1.00 0.00 C ATOM 320 CG GLU A 21 0.354 -1.360 -11.561 1.00 0.00 C ATOM 321 CD GLU A 21 1.587 -0.479 -11.623 1.00 0.00 C ATOM 322 OE1 GLU A 21 2.634 -0.886 -11.078 1.00 0.00 O ATOM 323 OE2 GLU A 21 1.505 0.616 -12.218 1.00 0.00 O ATOM 0 H GLU A 21 -0.975 -0.811 -8.850 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.733 -2.667 -10.723 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.877 -1.774 -9.529 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.896 -3.179 -10.576 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.301 -1.969 -12.464 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.537 -0.732 -11.547 1.00 0.00 H new ATOM 330 N ILE A 22 -0.300 -4.158 -8.133 1.00 0.00 N ATOM 331 CA ILE A 22 -0.198 -5.430 -7.428 1.00 0.00 C ATOM 332 C ILE A 22 -1.569 -6.072 -7.251 1.00 0.00 C ATOM 333 O ILE A 22 -1.726 -7.283 -7.411 1.00 0.00 O ATOM 334 CB ILE A 22 0.458 -5.256 -6.045 1.00 0.00 C ATOM 335 CG1 ILE A 22 1.879 -4.709 -6.195 1.00 0.00 C ATOM 336 CG2 ILE A 22 0.469 -6.579 -5.294 1.00 0.00 C ATOM 337 CD1 ILE A 22 2.509 -4.295 -4.884 1.00 0.00 C ATOM 0 H ILE A 22 0.237 -3.398 -7.714 1.00 0.00 H new ATOM 0 HA ILE A 22 0.428 -6.080 -8.039 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.127 -4.539 -5.469 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.504 -5.468 -6.665 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.860 -3.851 -6.867 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.936 -6.440 -4.319 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.554 -6.930 -5.160 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.034 -7.317 -5.864 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.515 -3.917 -5.067 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.906 -3.513 -4.422 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.560 -5.156 -4.217 1.00 0.00 H new ATOM 349 N LYS A 23 -2.562 -5.254 -6.920 1.00 0.00 N ATOM 350 CA LYS A 23 -3.923 -5.740 -6.724 1.00 0.00 C ATOM 351 C LYS A 23 -4.429 -6.455 -7.972 1.00 0.00 C ATOM 352 O LYS A 23 -4.634 -7.668 -7.964 1.00 0.00 O ATOM 353 CB LYS A 23 -4.855 -4.579 -6.374 1.00 0.00 C ATOM 354 CG LYS A 23 -6.234 -5.023 -5.917 1.00 0.00 C ATOM 355 CD LYS A 23 -6.995 -3.886 -5.257 1.00 0.00 C ATOM 356 CE LYS A 23 -8.418 -4.297 -4.906 1.00 0.00 C ATOM 357 NZ LYS A 23 -8.463 -5.161 -3.694 1.00 0.00 N ATOM 0 H LYS A 23 -2.450 -4.250 -6.782 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.914 -6.451 -5.898 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.396 -3.980 -5.587 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.961 -3.933 -7.246 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.800 -5.393 -6.772 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.137 -5.852 -5.216 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.472 -3.573 -4.353 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.018 -3.026 -5.926 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.023 -3.406 -4.739 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.860 -4.829 -5.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.449 -5.419 -3.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.907 -6.024 -3.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.064 -4.644 -2.884 1.00 0.00 H new ATOM 371 N ASN A 24 -4.630 -5.695 -9.044 1.00 0.00 N ATOM 372 CA ASN A 24 -5.113 -6.258 -10.301 1.00 0.00 C ATOM 373 C ASN A 24 -4.343 -7.525 -10.661 1.00 0.00 C ATOM 374 O ASN A 24 -4.931 -8.523 -11.074 1.00 0.00 O ATOM 375 CB ASN A 24 -4.982 -5.230 -11.427 1.00 0.00 C ATOM 376 CG ASN A 24 -5.979 -5.468 -12.545 1.00 0.00 C ATOM 377 OD1 ASN A 24 -7.175 -5.222 -12.388 1.00 0.00 O ATOM 378 ND2 ASN A 24 -5.488 -5.950 -13.682 1.00 0.00 N ATOM 0 H ASN A 24 -4.466 -4.689 -9.068 1.00 0.00 H new ATOM 0 HA ASN A 24 -6.164 -6.517 -10.175 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -5.128 -4.229 -11.021 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.971 -5.265 -11.832 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -6.110 -6.131 -14.470 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.489 -6.139 -13.767 1.00 0.00 H new ATOM 385 N GLU A 25 -3.024 -7.475 -10.501 1.00 0.00 N ATOM 386 CA GLU A 25 -2.174 -8.619 -10.809 1.00 0.00 C ATOM 387 C GLU A 25 -2.546 -9.822 -9.948 1.00 0.00 C ATOM 388 O GLU A 25 -2.702 -10.936 -10.450 1.00 0.00 O ATOM 389 CB GLU A 25 -0.702 -8.261 -10.596 1.00 0.00 C ATOM 390 CG GLU A 25 0.256 -9.111 -11.414 1.00 0.00 C ATOM 391 CD GLU A 25 0.089 -8.905 -12.907 1.00 0.00 C ATOM 392 OE1 GLU A 25 0.716 -7.970 -13.450 1.00 0.00 O ATOM 393 OE2 GLU A 25 -0.667 -9.676 -13.531 1.00 0.00 O ATOM 0 H GLU A 25 -2.522 -6.655 -10.160 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.329 -8.882 -11.855 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.551 -7.212 -10.851 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.460 -8.370 -9.539 1.00 0.00 H new ATOM 0 HG2 GLU A 25 1.281 -8.872 -11.130 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.097 -10.163 -11.176 1.00 0.00 H new ATOM 400 N LEU A 26 -2.687 -9.590 -8.647 1.00 0.00 N ATOM 401 CA LEU A 26 -3.041 -10.654 -7.714 1.00 0.00 C ATOM 402 C LEU A 26 -4.437 -11.194 -8.008 1.00 0.00 C ATOM 403 O LEU A 26 -4.687 -12.394 -7.890 1.00 0.00 O ATOM 404 CB LEU A 26 -2.973 -10.139 -6.274 1.00 0.00 C ATOM 405 CG LEU A 26 -3.818 -10.899 -5.250 1.00 0.00 C ATOM 406 CD1 LEU A 26 -3.174 -12.236 -4.916 1.00 0.00 C ATOM 407 CD2 LEU A 26 -4.006 -10.066 -3.991 1.00 0.00 C ATOM 0 H LEU A 26 -2.562 -8.675 -8.215 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.324 -11.466 -7.838 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.933 -10.165 -5.948 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.283 -9.094 -6.268 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.799 -11.089 -5.685 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.788 -12.763 -4.186 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.091 -12.836 -5.822 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.181 -12.068 -4.500 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.609 -10.622 -3.274 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.033 -9.845 -3.552 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.511 -9.133 -4.244 1.00 0.00 H new ATOM 419 N LEU A 27 -5.343 -10.301 -8.393 1.00 0.00 N ATOM 420 CA LEU A 27 -6.713 -10.689 -8.706 1.00 0.00 C ATOM 421 C LEU A 27 -6.763 -11.539 -9.972 1.00 0.00 C ATOM 422 O LEU A 27 -7.595 -12.438 -10.095 1.00 0.00 O ATOM 423 CB LEU A 27 -7.588 -9.446 -8.878 1.00 0.00 C ATOM 424 CG LEU A 27 -8.217 -8.886 -7.601 1.00 0.00 C ATOM 425 CD1 LEU A 27 -8.698 -7.461 -7.824 1.00 0.00 C ATOM 426 CD2 LEU A 27 -9.364 -9.772 -7.139 1.00 0.00 C ATOM 0 H LEU A 27 -5.153 -9.304 -8.496 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.095 -11.284 -7.876 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.985 -8.662 -9.336 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.388 -9.683 -9.579 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.457 -8.873 -6.820 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.143 -7.079 -6.905 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.854 -6.832 -8.107 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.443 -7.449 -8.620 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.800 -9.358 -6.229 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.125 -9.817 -7.918 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.990 -10.776 -6.938 1.00 0.00 H new ATOM 438 N GLN A 28 -5.866 -11.248 -10.909 1.00 0.00 N ATOM 439 CA GLN A 28 -5.807 -11.987 -12.164 1.00 0.00 C ATOM 440 C GLN A 28 -4.546 -12.842 -12.235 1.00 0.00 C ATOM 441 O GLN A 28 -3.954 -13.006 -13.301 1.00 0.00 O ATOM 442 CB GLN A 28 -5.850 -11.023 -13.351 1.00 0.00 C ATOM 443 CG GLN A 28 -7.110 -10.174 -13.399 1.00 0.00 C ATOM 444 CD GLN A 28 -8.268 -10.888 -14.069 1.00 0.00 C ATOM 445 OE1 GLN A 28 -8.104 -11.515 -15.116 1.00 0.00 O ATOM 446 NE2 GLN A 28 -9.449 -10.795 -13.468 1.00 0.00 N ATOM 0 H GLN A 28 -5.171 -10.506 -10.823 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.674 -12.646 -12.208 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -4.981 -10.367 -13.307 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.771 -11.595 -14.276 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.396 -9.897 -12.384 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.900 -9.248 -13.934 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -9.540 -10.265 -12.601 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -10.265 -11.254 -13.873 1.00 0.00 H new ATOM 455 N ALA A 29 -4.140 -13.384 -11.091 1.00 0.00 N ATOM 456 CA ALA A 29 -2.950 -14.224 -11.024 1.00 0.00 C ATOM 457 C ALA A 29 -3.316 -15.702 -11.104 1.00 0.00 C ATOM 458 O ALA A 29 -4.372 -16.115 -10.628 1.00 0.00 O ATOM 459 CB ALA A 29 -2.176 -13.939 -9.745 1.00 0.00 C ATOM 0 H ALA A 29 -4.617 -13.256 -10.199 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.318 -13.986 -11.880 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.290 -14.573 -9.707 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.874 -12.892 -9.728 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.809 -14.148 -8.883 1.00 0.00 H new ATOM 465 N GLN A 30 -2.436 -16.492 -11.711 1.00 0.00 N ATOM 466 CA GLN A 30 -2.668 -17.924 -11.855 1.00 0.00 C ATOM 467 C GLN A 30 -2.241 -18.674 -10.598 1.00 0.00 C ATOM 468 O GLN A 30 -2.851 -19.674 -10.223 1.00 0.00 O ATOM 469 CB GLN A 30 -1.911 -18.466 -13.069 1.00 0.00 C ATOM 470 CG GLN A 30 -2.588 -18.161 -14.396 1.00 0.00 C ATOM 471 CD GLN A 30 -2.610 -16.678 -14.712 1.00 0.00 C ATOM 472 OE1 GLN A 30 -3.401 -15.922 -14.147 1.00 0.00 O ATOM 473 NE2 GLN A 30 -1.739 -16.253 -15.620 1.00 0.00 N ATOM 0 H GLN A 30 -1.557 -16.165 -12.111 1.00 0.00 H new ATOM 0 HA GLN A 30 -3.737 -18.080 -12.003 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -0.906 -18.044 -13.078 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -1.802 -19.546 -12.966 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -2.069 -18.691 -15.195 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -3.610 -18.539 -14.374 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -1.101 -16.914 -16.064 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -1.708 -15.266 -15.874 1.00 0.00 H new ATOM 482 N ASN A 31 -1.189 -18.183 -9.952 1.00 0.00 N ATOM 483 CA ASN A 31 -0.680 -18.808 -8.736 1.00 0.00 C ATOM 484 C ASN A 31 -0.544 -17.784 -7.613 1.00 0.00 C ATOM 485 O ASN A 31 0.541 -17.278 -7.328 1.00 0.00 O ATOM 486 CB ASN A 31 0.675 -19.467 -9.006 1.00 0.00 C ATOM 487 CG ASN A 31 1.574 -18.607 -9.873 1.00 0.00 C ATOM 488 OD1 ASN A 31 2.459 -17.849 -9.237 1.00 0.00 O flip ATOM 489 ND2 ASN A 31 1.473 -18.625 -11.101 1.00 0.00 N flip ATOM 0 H ASN A 31 -0.672 -17.355 -10.249 1.00 0.00 H new ATOM 0 HA ASN A 31 -1.393 -19.571 -8.424 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.174 -19.668 -8.058 1.00 0.00 H new ATOM 0 HB3 ASN A 31 0.517 -20.429 -9.493 1.00 0.00 H new ATOM 0 HD21 ASN A 31 0.778 -19.224 -11.547 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.085 -18.041 -11.672 1.00 0.00 H new ATOM 496 N PRO A 32 -1.673 -17.471 -6.959 1.00 0.00 N ATOM 497 CA PRO A 32 -1.707 -16.506 -5.856 1.00 0.00 C ATOM 498 C PRO A 32 -1.012 -17.030 -4.606 1.00 0.00 C ATOM 499 O PRO A 32 -0.517 -16.255 -3.787 1.00 0.00 O ATOM 500 CB PRO A 32 -3.203 -16.317 -5.596 1.00 0.00 C ATOM 501 CG PRO A 32 -3.834 -17.577 -6.080 1.00 0.00 C ATOM 502 CD PRO A 32 -3.003 -18.035 -7.246 1.00 0.00 C ATOM 0 HA PRO A 32 -1.184 -15.583 -6.106 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -3.403 -16.155 -4.537 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -3.591 -15.449 -6.130 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.852 -18.331 -5.294 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -4.867 -17.405 -6.381 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.972 -19.122 -7.315 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -3.400 -17.667 -8.192 1.00 0.00 H new ATOM 510 N SER A 33 -0.977 -18.352 -4.463 1.00 0.00 N ATOM 511 CA SER A 33 -0.345 -18.980 -3.309 1.00 0.00 C ATOM 512 C SER A 33 1.142 -18.640 -3.252 1.00 0.00 C ATOM 513 O SER A 33 1.806 -18.881 -2.244 1.00 0.00 O ATOM 514 CB SER A 33 -0.530 -20.498 -3.362 1.00 0.00 C ATOM 515 OG SER A 33 -0.599 -20.957 -4.701 1.00 0.00 O ATOM 0 H SER A 33 -1.379 -19.008 -5.132 1.00 0.00 H new ATOM 0 HA SER A 33 -0.824 -18.594 -2.409 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.298 -20.987 -2.849 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.441 -20.775 -2.832 1.00 0.00 H new ATOM 0 HG SER A 33 -0.716 -21.930 -4.708 1.00 0.00 H new ATOM 521 N GLU A 34 1.657 -18.080 -4.343 1.00 0.00 N ATOM 522 CA GLU A 34 3.065 -17.709 -4.417 1.00 0.00 C ATOM 523 C GLU A 34 3.227 -16.191 -4.417 1.00 0.00 C ATOM 524 O GLU A 34 4.346 -15.675 -4.431 1.00 0.00 O ATOM 525 CB GLU A 34 3.706 -18.300 -5.674 1.00 0.00 C ATOM 526 CG GLU A 34 3.453 -19.790 -5.843 1.00 0.00 C ATOM 527 CD GLU A 34 4.470 -20.640 -5.106 1.00 0.00 C ATOM 528 OE1 GLU A 34 5.678 -20.333 -5.199 1.00 0.00 O ATOM 529 OE2 GLU A 34 4.060 -21.611 -4.437 1.00 0.00 O ATOM 0 H GLU A 34 1.121 -17.874 -5.186 1.00 0.00 H new ATOM 0 HA GLU A 34 3.568 -18.112 -3.538 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.324 -17.774 -6.549 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.781 -18.124 -5.641 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.453 -20.029 -5.480 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.475 -20.041 -6.904 1.00 0.00 H new ATOM 536 N LEU A 35 2.104 -15.482 -4.400 1.00 0.00 N ATOM 537 CA LEU A 35 2.120 -14.023 -4.398 1.00 0.00 C ATOM 538 C LEU A 35 1.780 -13.477 -3.015 1.00 0.00 C ATOM 539 O LEU A 35 2.159 -12.358 -2.668 1.00 0.00 O ATOM 540 CB LEU A 35 1.131 -13.481 -5.431 1.00 0.00 C ATOM 541 CG LEU A 35 1.563 -13.589 -6.894 1.00 0.00 C ATOM 542 CD1 LEU A 35 0.369 -13.391 -7.817 1.00 0.00 C ATOM 543 CD2 LEU A 35 2.653 -12.575 -7.205 1.00 0.00 C ATOM 0 H LEU A 35 1.171 -15.893 -4.387 1.00 0.00 H new ATOM 0 HA LEU A 35 3.126 -13.695 -4.661 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.186 -14.010 -5.312 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.940 -12.432 -5.206 1.00 0.00 H new ATOM 0 HG LEU A 35 1.966 -14.588 -7.062 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.694 -13.471 -8.854 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.380 -14.155 -7.612 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.063 -12.405 -7.647 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.948 -12.667 -8.250 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.277 -11.569 -7.021 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.517 -12.762 -6.567 1.00 0.00 H new ATOM 555 N TYR A 36 1.064 -14.274 -2.230 1.00 0.00 N ATOM 556 CA TYR A 36 0.672 -13.870 -0.885 1.00 0.00 C ATOM 557 C TYR A 36 1.855 -13.274 -0.129 1.00 0.00 C ATOM 558 O TYR A 36 1.724 -12.252 0.548 1.00 0.00 O ATOM 559 CB TYR A 36 0.111 -15.067 -0.113 1.00 0.00 C ATOM 560 CG TYR A 36 -1.182 -15.604 -0.685 1.00 0.00 C ATOM 561 CD1 TYR A 36 -2.180 -14.743 -1.124 1.00 0.00 C ATOM 562 CD2 TYR A 36 -1.403 -16.971 -0.787 1.00 0.00 C ATOM 563 CE1 TYR A 36 -3.363 -15.230 -1.647 1.00 0.00 C ATOM 564 CE2 TYR A 36 -2.583 -17.466 -1.309 1.00 0.00 C ATOM 565 CZ TYR A 36 -3.560 -16.592 -1.737 1.00 0.00 C ATOM 566 OH TYR A 36 -4.735 -17.080 -2.259 1.00 0.00 O ATOM 0 H TYR A 36 0.743 -15.203 -2.502 1.00 0.00 H new ATOM 0 HA TYR A 36 -0.102 -13.107 -0.973 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.854 -15.864 -0.105 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.054 -14.775 0.924 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -2.029 -13.676 -1.055 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -0.640 -17.659 -0.453 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -4.129 -14.547 -1.984 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -2.739 -18.532 -1.381 1.00 0.00 H new ATOM 0 HH TYR A 36 -4.714 -18.060 -2.253 1.00 0.00 H new ATOM 576 N LEU A 37 3.011 -13.917 -0.248 1.00 0.00 N ATOM 577 CA LEU A 37 4.220 -13.451 0.422 1.00 0.00 C ATOM 578 C LEU A 37 4.935 -12.397 -0.416 1.00 0.00 C ATOM 579 O LEU A 37 5.396 -11.381 0.106 1.00 0.00 O ATOM 580 CB LEU A 37 5.160 -14.625 0.697 1.00 0.00 C ATOM 581 CG LEU A 37 4.921 -15.384 2.004 1.00 0.00 C ATOM 582 CD1 LEU A 37 5.039 -14.447 3.195 1.00 0.00 C ATOM 583 CD2 LEU A 37 3.558 -16.060 1.986 1.00 0.00 C ATOM 0 H LEU A 37 3.137 -14.764 -0.803 1.00 0.00 H new ATOM 0 HA LEU A 37 3.929 -12.998 1.370 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.079 -15.331 -0.130 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.184 -14.252 0.699 1.00 0.00 H new ATOM 0 HG LEU A 37 5.685 -16.155 2.099 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.866 -15.005 4.115 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.038 -14.011 3.217 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.298 -13.652 3.108 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.405 -16.595 2.923 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.780 -15.306 1.867 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.512 -16.764 1.155 1.00 0.00 H new ATOM 595 N SER A 38 5.025 -12.645 -1.719 1.00 0.00 N ATOM 596 CA SER A 38 5.686 -11.719 -2.630 1.00 0.00 C ATOM 597 C SER A 38 5.039 -10.338 -2.566 1.00 0.00 C ATOM 598 O SER A 38 5.680 -9.327 -2.852 1.00 0.00 O ATOM 599 CB SER A 38 5.631 -12.252 -4.063 1.00 0.00 C ATOM 600 OG SER A 38 5.766 -13.664 -4.087 1.00 0.00 O ATOM 0 H SER A 38 4.648 -13.480 -2.167 1.00 0.00 H new ATOM 0 HA SER A 38 6.728 -11.629 -2.322 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.686 -11.966 -4.525 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.426 -11.797 -4.654 1.00 0.00 H new ATOM 0 HG SER A 38 5.071 -14.049 -4.660 1.00 0.00 H new ATOM 606 N SER A 39 3.765 -10.305 -2.188 1.00 0.00 N ATOM 607 CA SER A 39 3.030 -9.050 -2.089 1.00 0.00 C ATOM 608 C SER A 39 3.103 -8.488 -0.672 1.00 0.00 C ATOM 609 O SER A 39 3.803 -7.509 -0.415 1.00 0.00 O ATOM 610 CB SER A 39 1.569 -9.257 -2.493 1.00 0.00 C ATOM 611 OG SER A 39 0.726 -8.306 -1.865 1.00 0.00 O ATOM 0 H SER A 39 3.221 -11.133 -1.945 1.00 0.00 H new ATOM 0 HA SER A 39 3.490 -8.333 -2.770 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.473 -9.174 -3.576 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.252 -10.264 -2.221 1.00 0.00 H new ATOM 0 HG SER A 39 -0.202 -8.459 -2.141 1.00 0.00 H new ATOM 617 N LYS A 40 2.373 -9.115 0.245 1.00 0.00 N ATOM 618 CA LYS A 40 2.354 -8.681 1.636 1.00 0.00 C ATOM 619 C LYS A 40 3.726 -8.172 2.066 1.00 0.00 C ATOM 620 O LYS A 40 3.832 -7.270 2.899 1.00 0.00 O ATOM 621 CB LYS A 40 1.918 -9.832 2.546 1.00 0.00 C ATOM 622 CG LYS A 40 1.216 -9.375 3.812 1.00 0.00 C ATOM 623 CD LYS A 40 1.071 -10.511 4.811 1.00 0.00 C ATOM 624 CE LYS A 40 2.274 -10.595 5.738 1.00 0.00 C ATOM 625 NZ LYS A 40 3.391 -11.371 5.130 1.00 0.00 N ATOM 0 H LYS A 40 1.786 -9.926 0.049 1.00 0.00 H new ATOM 0 HA LYS A 40 1.638 -7.864 1.725 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.252 -10.492 1.989 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.794 -10.420 2.819 1.00 0.00 H new ATOM 0 HG2 LYS A 40 1.778 -8.559 4.267 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.231 -8.982 3.561 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.166 -10.365 5.400 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.955 -11.454 4.277 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.619 -9.589 5.977 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.977 -11.062 6.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.950 -11.823 5.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.003 -12.102 4.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 4.001 -10.731 4.583 1.00 0.00 H new ATOM 639 N THR A 41 4.775 -8.752 1.492 1.00 0.00 N ATOM 640 CA THR A 41 6.140 -8.357 1.815 1.00 0.00 C ATOM 641 C THR A 41 6.521 -7.064 1.104 1.00 0.00 C ATOM 642 O THR A 41 6.982 -6.113 1.732 1.00 0.00 O ATOM 643 CB THR A 41 7.149 -9.456 1.433 1.00 0.00 C ATOM 644 OG1 THR A 41 6.831 -10.673 2.118 1.00 0.00 O ATOM 645 CG2 THR A 41 8.568 -9.031 1.775 1.00 0.00 C ATOM 0 H THR A 41 4.705 -9.498 0.800 1.00 0.00 H new ATOM 0 HA THR A 41 6.176 -8.200 2.893 1.00 0.00 H new ATOM 0 HB THR A 41 7.085 -9.618 0.357 1.00 0.00 H new ATOM 0 HG1 THR A 41 6.055 -11.095 1.693 1.00 0.00 H new ATOM 0 HG21 THR A 41 9.262 -9.824 1.496 1.00 0.00 H new ATOM 0 HG22 THR A 41 8.817 -8.121 1.229 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.643 -8.843 2.846 1.00 0.00 H new ATOM 653 N GLU A 42 6.323 -7.036 -0.210 1.00 0.00 N ATOM 654 CA GLU A 42 6.647 -5.859 -1.006 1.00 0.00 C ATOM 655 C GLU A 42 5.869 -4.640 -0.516 1.00 0.00 C ATOM 656 O GLU A 42 6.426 -3.552 -0.368 1.00 0.00 O ATOM 657 CB GLU A 42 6.340 -6.114 -2.483 1.00 0.00 C ATOM 658 CG GLU A 42 6.651 -4.930 -3.383 1.00 0.00 C ATOM 659 CD GLU A 42 6.837 -5.332 -4.834 1.00 0.00 C ATOM 660 OE1 GLU A 42 5.834 -5.348 -5.577 1.00 0.00 O ATOM 661 OE2 GLU A 42 7.985 -5.631 -5.225 1.00 0.00 O ATOM 0 H GLU A 42 5.940 -7.815 -0.745 1.00 0.00 H new ATOM 0 HA GLU A 42 7.712 -5.658 -0.894 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.914 -6.977 -2.821 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.286 -6.372 -2.587 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.842 -4.203 -3.312 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.556 -4.436 -3.028 1.00 0.00 H new ATOM 668 N LEU A 43 4.578 -4.831 -0.267 1.00 0.00 N ATOM 669 CA LEU A 43 3.721 -3.749 0.205 1.00 0.00 C ATOM 670 C LEU A 43 4.325 -3.074 1.433 1.00 0.00 C ATOM 671 O LEU A 43 4.531 -1.861 1.448 1.00 0.00 O ATOM 672 CB LEU A 43 2.327 -4.283 0.535 1.00 0.00 C ATOM 673 CG LEU A 43 1.342 -4.357 -0.632 1.00 0.00 C ATOM 674 CD1 LEU A 43 0.110 -5.158 -0.241 1.00 0.00 C ATOM 675 CD2 LEU A 43 0.949 -2.960 -1.088 1.00 0.00 C ATOM 0 H LEU A 43 4.102 -5.725 -0.384 1.00 0.00 H new ATOM 0 HA LEU A 43 3.639 -3.009 -0.591 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.433 -5.282 0.958 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.893 -3.653 1.311 1.00 0.00 H new ATOM 0 HG LEU A 43 1.831 -4.865 -1.463 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.580 -5.200 -1.084 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.407 -6.170 0.036 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.381 -4.679 0.606 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.248 -3.032 -1.919 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.479 -2.426 -0.262 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.839 -2.419 -1.410 1.00 0.00 H new ATOM 687 N GLN A 44 4.607 -3.870 2.460 1.00 0.00 N ATOM 688 CA GLN A 44 5.188 -3.349 3.692 1.00 0.00 C ATOM 689 C GLN A 44 6.270 -2.318 3.389 1.00 0.00 C ATOM 690 O GLN A 44 6.390 -1.308 4.082 1.00 0.00 O ATOM 691 CB GLN A 44 5.773 -4.489 4.527 1.00 0.00 C ATOM 692 CG GLN A 44 4.717 -5.386 5.155 1.00 0.00 C ATOM 693 CD GLN A 44 4.183 -4.833 6.460 1.00 0.00 C ATOM 694 OE1 GLN A 44 4.785 -3.947 7.065 1.00 0.00 O ATOM 695 NE2 GLN A 44 3.043 -5.354 6.902 1.00 0.00 N ATOM 0 H GLN A 44 4.443 -4.877 2.463 1.00 0.00 H new ATOM 0 HA GLN A 44 4.396 -2.862 4.260 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.423 -5.094 3.896 1.00 0.00 H new ATOM 0 HB3 GLN A 44 6.396 -4.068 5.316 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.892 -5.514 4.455 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.143 -6.374 5.331 1.00 0.00 H new ATOM 0 HE21 GLN A 44 2.577 -6.088 6.368 1.00 0.00 H new ATOM 0 HE22 GLN A 44 2.634 -5.020 7.775 1.00 0.00 H new ATOM 704 N GLY A 45 7.057 -2.580 2.350 1.00 0.00 N ATOM 705 CA GLY A 45 8.119 -1.664 1.975 1.00 0.00 C ATOM 706 C GLY A 45 7.590 -0.337 1.470 1.00 0.00 C ATOM 707 O GLY A 45 8.085 0.723 1.853 1.00 0.00 O ATOM 0 H GLY A 45 6.978 -3.409 1.762 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.765 -1.490 2.836 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.735 -2.124 1.202 1.00 0.00 H new ATOM 711 N LEU A 46 6.583 -0.394 0.606 1.00 0.00 N ATOM 712 CA LEU A 46 5.986 0.814 0.045 1.00 0.00 C ATOM 713 C LEU A 46 5.597 1.792 1.150 1.00 0.00 C ATOM 714 O LEU A 46 6.067 2.930 1.178 1.00 0.00 O ATOM 715 CB LEU A 46 4.757 0.458 -0.792 1.00 0.00 C ATOM 716 CG LEU A 46 5.030 -0.265 -2.112 1.00 0.00 C ATOM 717 CD1 LEU A 46 3.765 -0.933 -2.626 1.00 0.00 C ATOM 718 CD2 LEU A 46 5.582 0.705 -3.147 1.00 0.00 C ATOM 0 H LEU A 46 6.162 -1.263 0.278 1.00 0.00 H new ATOM 0 HA LEU A 46 6.727 1.293 -0.595 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.099 -0.167 -0.188 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.212 1.377 -1.010 1.00 0.00 H new ATOM 0 HG LEU A 46 5.777 -1.038 -1.933 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.979 -1.442 -3.566 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.413 -1.658 -1.892 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.996 -0.178 -2.789 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.770 0.173 -4.080 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.858 1.501 -3.323 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.514 1.137 -2.781 1.00 0.00 H new ATOM 730 N ILE A 47 4.738 1.341 2.058 1.00 0.00 N ATOM 731 CA ILE A 47 4.290 2.175 3.165 1.00 0.00 C ATOM 732 C ILE A 47 5.469 2.861 3.849 1.00 0.00 C ATOM 733 O ILE A 47 5.428 4.059 4.125 1.00 0.00 O ATOM 734 CB ILE A 47 3.513 1.354 4.210 1.00 0.00 C ATOM 735 CG1 ILE A 47 2.316 0.659 3.557 1.00 0.00 C ATOM 736 CG2 ILE A 47 3.055 2.247 5.353 1.00 0.00 C ATOM 737 CD1 ILE A 47 1.847 -0.569 4.306 1.00 0.00 C ATOM 0 H ILE A 47 4.339 0.402 2.048 1.00 0.00 H new ATOM 0 HA ILE A 47 3.628 2.930 2.742 1.00 0.00 H new ATOM 0 HB ILE A 47 4.176 0.590 4.616 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.491 1.367 3.484 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.583 0.374 2.539 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.507 1.651 6.083 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.923 2.699 5.832 1.00 0.00 H new ATOM 0 HG23 ILE A 47 2.406 3.031 4.964 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.996 -1.010 3.786 1.00 0.00 H new ATOM 0 HD12 ILE A 47 2.658 -1.296 4.357 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.549 -0.287 5.316 1.00 0.00 H new ATOM 749 N GLY A 48 6.519 2.092 4.118 1.00 0.00 N ATOM 750 CA GLY A 48 7.695 2.644 4.766 1.00 0.00 C ATOM 751 C GLY A 48 7.998 4.057 4.311 1.00 0.00 C ATOM 752 O GLY A 48 8.382 4.905 5.115 1.00 0.00 O ATOM 0 H GLY A 48 6.577 1.097 3.899 1.00 0.00 H new ATOM 0 HA2 GLY A 48 7.548 2.637 5.846 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.554 2.006 4.557 1.00 0.00 H new ATOM 756 N GLN A 49 7.827 4.310 3.017 1.00 0.00 N ATOM 757 CA GLN A 49 8.088 5.631 2.457 1.00 0.00 C ATOM 758 C GLN A 49 7.211 6.687 3.122 1.00 0.00 C ATOM 759 O GLN A 49 7.685 7.768 3.475 1.00 0.00 O ATOM 760 CB GLN A 49 7.843 5.624 0.947 1.00 0.00 C ATOM 761 CG GLN A 49 8.982 5.014 0.148 1.00 0.00 C ATOM 762 CD GLN A 49 9.398 3.653 0.671 1.00 0.00 C ATOM 763 OE1 GLN A 49 10.108 3.550 1.673 1.00 0.00 O ATOM 764 NE2 GLN A 49 8.959 2.599 -0.005 1.00 0.00 N ATOM 0 H GLN A 49 7.509 3.619 2.338 1.00 0.00 H new ATOM 0 HA GLN A 49 9.132 5.880 2.648 1.00 0.00 H new ATOM 0 HB2 GLN A 49 6.927 5.071 0.739 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.681 6.648 0.609 1.00 0.00 H new ATOM 0 HG2 GLN A 49 8.680 4.921 -0.895 1.00 0.00 H new ATOM 0 HG3 GLN A 49 9.839 5.686 0.173 1.00 0.00 H new ATOM 0 HE21 GLN A 49 8.373 2.730 -0.830 1.00 0.00 H new ATOM 0 HE22 GLN A 49 9.207 1.658 0.300 1.00 0.00 H new ATOM 773 N LEU A 50 5.933 6.368 3.290 1.00 0.00 N ATOM 774 CA LEU A 50 4.990 7.290 3.913 1.00 0.00 C ATOM 775 C LEU A 50 5.619 7.980 5.119 1.00 0.00 C ATOM 776 O LEU A 50 5.374 9.161 5.368 1.00 0.00 O ATOM 777 CB LEU A 50 3.724 6.545 4.341 1.00 0.00 C ATOM 778 CG LEU A 50 2.803 6.085 3.211 1.00 0.00 C ATOM 779 CD1 LEU A 50 1.777 5.089 3.731 1.00 0.00 C ATOM 780 CD2 LEU A 50 2.111 7.278 2.568 1.00 0.00 C ATOM 0 H LEU A 50 5.526 5.478 3.004 1.00 0.00 H new ATOM 0 HA LEU A 50 4.726 8.051 3.179 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.019 5.671 4.921 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.153 7.192 5.008 1.00 0.00 H new ATOM 0 HG LEU A 50 3.409 5.589 2.453 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.130 4.773 2.913 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.290 4.221 4.145 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.175 5.559 4.509 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.459 6.932 1.766 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.517 7.802 3.317 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.860 7.957 2.160 1.00 0.00 H new ATOM 792 N ASP A 51 6.432 7.238 5.861 1.00 0.00 N ATOM 793 CA ASP A 51 7.100 7.779 7.040 1.00 0.00 C ATOM 794 C ASP A 51 7.784 9.104 6.716 1.00 0.00 C ATOM 795 O ASP A 51 7.526 10.120 7.360 1.00 0.00 O ATOM 796 CB ASP A 51 8.125 6.779 7.576 1.00 0.00 C ATOM 797 CG ASP A 51 8.708 7.206 8.909 1.00 0.00 C ATOM 798 OD1 ASP A 51 7.922 7.472 9.842 1.00 0.00 O ATOM 799 OD2 ASP A 51 9.949 7.274 9.019 1.00 0.00 O ATOM 0 H ASP A 51 6.645 6.259 5.668 1.00 0.00 H new ATOM 0 HA ASP A 51 6.345 7.958 7.805 1.00 0.00 H new ATOM 0 HB2 ASP A 51 7.653 5.803 7.685 1.00 0.00 H new ATOM 0 HB3 ASP A 51 8.930 6.664 6.850 1.00 0.00 H new ATOM 804 N GLU A 52 8.659 9.083 5.715 1.00 0.00 N ATOM 805 CA GLU A 52 9.381 10.282 5.308 1.00 0.00 C ATOM 806 C GLU A 52 8.475 11.509 5.365 1.00 0.00 C ATOM 807 O GLU A 52 8.819 12.521 5.974 1.00 0.00 O ATOM 808 CB GLU A 52 9.941 10.112 3.894 1.00 0.00 C ATOM 809 CG GLU A 52 11.283 9.403 3.852 1.00 0.00 C ATOM 810 CD GLU A 52 12.448 10.344 4.091 1.00 0.00 C ATOM 811 OE1 GLU A 52 12.724 10.660 5.267 1.00 0.00 O ATOM 812 OE2 GLU A 52 13.084 10.763 3.102 1.00 0.00 O ATOM 0 H GLU A 52 8.884 8.250 5.172 1.00 0.00 H new ATOM 0 HA GLU A 52 10.208 10.430 6.003 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.225 9.551 3.294 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.044 11.094 3.433 1.00 0.00 H new ATOM 0 HG2 GLU A 52 11.297 8.615 4.605 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.404 8.920 2.883 1.00 0.00 H new ATOM 819 N VAL A 53 7.315 11.410 4.723 1.00 0.00 N ATOM 820 CA VAL A 53 6.358 12.511 4.700 1.00 0.00 C ATOM 821 C VAL A 53 5.841 12.818 6.100 1.00 0.00 C ATOM 822 O VAL A 53 5.257 11.958 6.760 1.00 0.00 O ATOM 823 CB VAL A 53 5.163 12.195 3.781 1.00 0.00 C ATOM 824 CG1 VAL A 53 4.091 13.266 3.912 1.00 0.00 C ATOM 825 CG2 VAL A 53 5.623 12.065 2.336 1.00 0.00 C ATOM 0 H VAL A 53 7.015 10.580 4.212 1.00 0.00 H new ATOM 0 HA VAL A 53 6.886 13.382 4.312 1.00 0.00 H new ATOM 0 HB VAL A 53 4.732 11.243 4.089 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.255 13.026 3.255 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.742 13.307 4.944 1.00 0.00 H new ATOM 0 HG13 VAL A 53 4.507 14.233 3.631 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.766 11.842 1.700 1.00 0.00 H new ATOM 0 HG22 VAL A 53 6.080 13.001 2.014 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.353 11.259 2.258 1.00 0.00 H new ATOM 835 N SER A 54 6.059 14.050 6.548 1.00 0.00 N ATOM 836 CA SER A 54 5.616 14.471 7.873 1.00 0.00 C ATOM 837 C SER A 54 4.296 15.230 7.789 1.00 0.00 C ATOM 838 O SER A 54 3.900 15.696 6.718 1.00 0.00 O ATOM 839 CB SER A 54 6.681 15.349 8.533 1.00 0.00 C ATOM 840 OG SER A 54 7.926 14.675 8.604 1.00 0.00 O ATOM 0 H SER A 54 6.539 14.774 6.014 1.00 0.00 H new ATOM 0 HA SER A 54 5.463 13.578 8.479 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.796 16.273 7.967 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.357 15.627 9.536 1.00 0.00 H new ATOM 0 HG SER A 54 8.590 15.258 9.028 1.00 0.00 H new ATOM 846 N LEU A 55 3.618 15.351 8.924 1.00 0.00 N ATOM 847 CA LEU A 55 2.340 16.054 8.982 1.00 0.00 C ATOM 848 C LEU A 55 2.530 17.549 8.748 1.00 0.00 C ATOM 849 O LEU A 55 2.446 18.348 9.680 1.00 0.00 O ATOM 850 CB LEU A 55 1.667 15.819 10.335 1.00 0.00 C ATOM 851 CG LEU A 55 1.097 14.419 10.567 1.00 0.00 C ATOM 852 CD1 LEU A 55 0.867 14.176 12.050 1.00 0.00 C ATOM 853 CD2 LEU A 55 -0.198 14.236 9.788 1.00 0.00 C ATOM 0 H LEU A 55 3.931 14.972 9.818 1.00 0.00 H new ATOM 0 HA LEU A 55 1.700 15.660 8.192 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.393 16.029 11.121 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.859 16.542 10.447 1.00 0.00 H new ATOM 0 HG LEU A 55 1.821 13.688 10.208 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.461 13.175 12.196 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.813 14.266 12.584 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.162 14.913 12.434 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.590 13.234 9.964 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.928 14.975 10.118 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.004 14.367 8.724 1.00 0.00 H new ATOM 865 N GLU A 56 2.784 17.920 7.497 1.00 0.00 N ATOM 866 CA GLU A 56 2.985 19.319 7.141 1.00 0.00 C ATOM 867 C GLU A 56 1.707 20.125 7.363 1.00 0.00 C ATOM 868 O GLU A 56 0.616 19.565 7.470 1.00 0.00 O ATOM 869 CB GLU A 56 3.429 19.439 5.682 1.00 0.00 C ATOM 870 CG GLU A 56 4.450 18.392 5.269 1.00 0.00 C ATOM 871 CD GLU A 56 5.319 18.848 4.113 1.00 0.00 C ATOM 872 OE1 GLU A 56 5.407 20.072 3.883 1.00 0.00 O ATOM 873 OE2 GLU A 56 5.910 17.979 3.438 1.00 0.00 O ATOM 0 H GLU A 56 2.855 17.271 6.713 1.00 0.00 H new ATOM 0 HA GLU A 56 3.766 19.723 7.785 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.554 19.356 5.037 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.852 20.431 5.520 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.084 18.152 6.122 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.932 17.475 4.989 1.00 0.00 H new ATOM 880 N LYS A 57 1.851 21.444 7.430 1.00 0.00 N ATOM 881 CA LYS A 57 0.711 22.329 7.637 1.00 0.00 C ATOM 882 C LYS A 57 -0.224 22.303 6.433 1.00 0.00 C ATOM 883 O LYS A 57 -0.164 23.178 5.569 1.00 0.00 O ATOM 884 CB LYS A 57 1.190 23.760 7.893 1.00 0.00 C ATOM 885 CG LYS A 57 0.098 24.684 8.405 1.00 0.00 C ATOM 886 CD LYS A 57 0.491 26.144 8.262 1.00 0.00 C ATOM 887 CE LYS A 57 1.255 26.639 9.480 1.00 0.00 C ATOM 888 NZ LYS A 57 2.649 26.117 9.511 1.00 0.00 N ATOM 0 H LYS A 57 2.747 21.924 7.344 1.00 0.00 H new ATOM 0 HA LYS A 57 0.162 21.974 8.509 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.005 23.738 8.617 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.597 24.169 6.968 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.824 24.499 7.854 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.106 24.462 9.452 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.105 26.271 7.370 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.404 26.750 8.122 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.275 27.729 9.477 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.732 26.332 10.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.269 26.811 9.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 2.673 25.222 10.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.980 25.952 8.539 1.00 0.00 H new ATOM 902 N ASN A 58 -1.089 21.296 6.382 1.00 0.00 N ATOM 903 CA ASN A 58 -2.038 21.157 5.283 1.00 0.00 C ATOM 904 C ASN A 58 -3.069 20.074 5.588 1.00 0.00 C ATOM 905 O ASN A 58 -2.757 19.029 6.158 1.00 0.00 O ATOM 906 CB ASN A 58 -1.301 20.824 3.985 1.00 0.00 C ATOM 907 CG ASN A 58 -2.016 21.361 2.760 1.00 0.00 C ATOM 908 OD1 ASN A 58 -2.865 20.686 2.176 1.00 0.00 O ATOM 909 ND2 ASN A 58 -1.676 22.583 2.365 1.00 0.00 N ATOM 0 H ASN A 58 -1.153 20.564 7.089 1.00 0.00 H new ATOM 0 HA ASN A 58 -2.559 22.107 5.164 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -0.294 21.239 4.026 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -1.197 19.743 3.897 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -2.124 22.998 1.548 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -0.967 23.106 2.879 1.00 0.00 H new ATOM 916 N PRO A 59 -4.327 20.330 5.199 1.00 0.00 N ATOM 917 CA PRO A 59 -5.429 19.388 5.419 1.00 0.00 C ATOM 918 C PRO A 59 -5.309 18.141 4.551 1.00 0.00 C ATOM 919 O PRO A 59 -5.438 17.018 5.040 1.00 0.00 O ATOM 920 CB PRO A 59 -6.669 20.196 5.028 1.00 0.00 C ATOM 921 CG PRO A 59 -6.166 21.219 4.068 1.00 0.00 C ATOM 922 CD PRO A 59 -4.770 21.556 4.515 1.00 0.00 C ATOM 0 HA PRO A 59 -5.450 19.018 6.444 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -7.427 19.561 4.569 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -7.129 20.663 5.899 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -6.167 20.832 3.049 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -6.802 22.104 4.073 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -4.126 21.801 3.671 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -4.759 22.416 5.184 1.00 0.00 H new ATOM 930 N CYS A 60 -5.063 18.345 3.262 1.00 0.00 N ATOM 931 CA CYS A 60 -4.925 17.237 2.324 1.00 0.00 C ATOM 932 C CYS A 60 -3.788 16.310 2.740 1.00 0.00 C ATOM 933 O CYS A 60 -3.903 15.088 2.646 1.00 0.00 O ATOM 934 CB CYS A 60 -4.678 17.765 0.910 1.00 0.00 C ATOM 935 SG CYS A 60 -6.026 18.776 0.254 1.00 0.00 S ATOM 0 H CYS A 60 -4.955 19.268 2.842 1.00 0.00 H new ATOM 0 HA CYS A 60 -5.855 16.668 2.334 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -3.762 18.355 0.909 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -4.513 16.920 0.242 1.00 0.00 H new ATOM 0 HG CYS A 60 -5.723 19.178 -0.945 1.00 0.00 H new ATOM 941 N ILE A 61 -2.688 16.901 3.198 1.00 0.00 N ATOM 942 CA ILE A 61 -1.530 16.128 3.628 1.00 0.00 C ATOM 943 C ILE A 61 -1.854 15.290 4.860 1.00 0.00 C ATOM 944 O ILE A 61 -1.626 14.080 4.877 1.00 0.00 O ATOM 945 CB ILE A 61 -0.330 17.040 3.944 1.00 0.00 C ATOM 946 CG1 ILE A 61 0.059 17.854 2.708 1.00 0.00 C ATOM 947 CG2 ILE A 61 0.850 16.215 4.434 1.00 0.00 C ATOM 948 CD1 ILE A 61 1.252 18.757 2.928 1.00 0.00 C ATOM 0 H ILE A 61 -2.575 17.911 3.280 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.268 15.468 2.801 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.618 17.731 4.736 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.278 17.171 1.887 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.793 18.460 2.400 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.689 16.875 4.653 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.567 15.676 5.338 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.141 15.502 3.663 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.470 19.302 2.010 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.030 19.465 3.727 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.117 18.155 3.206 1.00 0.00 H new ATOM 960 N ARG A 62 -2.389 15.940 5.888 1.00 0.00 N ATOM 961 CA ARG A 62 -2.745 15.254 7.124 1.00 0.00 C ATOM 962 C ARG A 62 -3.557 13.997 6.833 1.00 0.00 C ATOM 963 O ARG A 62 -3.153 12.889 7.188 1.00 0.00 O ATOM 964 CB ARG A 62 -3.542 16.188 8.038 1.00 0.00 C ATOM 965 CG ARG A 62 -2.672 17.142 8.841 1.00 0.00 C ATOM 966 CD ARG A 62 -3.513 18.076 9.698 1.00 0.00 C ATOM 967 NE ARG A 62 -3.931 19.265 8.961 1.00 0.00 N ATOM 968 CZ ARG A 62 -4.466 20.336 9.537 1.00 0.00 C ATOM 969 NH1 ARG A 62 -4.645 20.367 10.850 1.00 0.00 N ATOM 970 NH2 ARG A 62 -4.821 21.380 8.799 1.00 0.00 N ATOM 0 H ARG A 62 -2.585 16.941 5.889 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.823 14.962 7.627 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.239 16.767 7.433 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.139 15.588 8.725 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -1.997 16.571 9.478 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.052 17.728 8.163 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.394 17.544 10.058 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -2.941 18.376 10.576 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.805 19.274 7.949 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.372 19.567 11.421 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.056 21.191 11.289 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -4.683 21.361 7.789 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -5.232 22.202 9.242 1.00 0.00 H new ATOM 984 N GLU A 63 -4.705 14.175 6.186 1.00 0.00 N ATOM 985 CA GLU A 63 -5.573 13.054 5.849 1.00 0.00 C ATOM 986 C GLU A 63 -4.885 12.107 4.869 1.00 0.00 C ATOM 987 O GLU A 63 -4.696 10.926 5.159 1.00 0.00 O ATOM 988 CB GLU A 63 -6.888 13.559 5.249 1.00 0.00 C ATOM 989 CG GLU A 63 -8.071 12.644 5.517 1.00 0.00 C ATOM 990 CD GLU A 63 -7.909 11.279 4.876 1.00 0.00 C ATOM 991 OE1 GLU A 63 -8.179 11.158 3.663 1.00 0.00 O ATOM 992 OE2 GLU A 63 -7.513 10.332 5.588 1.00 0.00 O ATOM 0 H GLU A 63 -5.055 15.085 5.885 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.787 12.506 6.767 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.106 14.548 5.653 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.765 13.674 4.172 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.196 12.524 6.593 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.981 13.112 5.141 1.00 0.00 H new ATOM 999 N ALA A 64 -4.515 12.636 3.707 1.00 0.00 N ATOM 1000 CA ALA A 64 -3.846 11.840 2.685 1.00 0.00 C ATOM 1001 C ALA A 64 -2.914 10.809 3.313 1.00 0.00 C ATOM 1002 O ALA A 64 -3.143 9.604 3.204 1.00 0.00 O ATOM 1003 CB ALA A 64 -3.074 12.743 1.734 1.00 0.00 C ATOM 0 H ALA A 64 -4.667 13.611 3.450 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.609 11.304 2.121 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.579 12.135 0.976 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.763 13.436 1.251 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.326 13.305 2.293 1.00 0.00 H new ATOM 1009 N ARG A 65 -1.864 11.290 3.970 1.00 0.00 N ATOM 1010 CA ARG A 65 -0.897 10.410 4.614 1.00 0.00 C ATOM 1011 C ARG A 65 -1.584 9.172 5.183 1.00 0.00 C ATOM 1012 O ARG A 65 -1.254 8.044 4.819 1.00 0.00 O ATOM 1013 CB ARG A 65 -0.159 11.155 5.727 1.00 0.00 C ATOM 1014 CG ARG A 65 1.026 10.389 6.291 1.00 0.00 C ATOM 1015 CD ARG A 65 1.993 11.313 7.015 1.00 0.00 C ATOM 1016 NE ARG A 65 1.593 11.547 8.400 1.00 0.00 N ATOM 1017 CZ ARG A 65 1.876 10.716 9.397 1.00 0.00 C ATOM 1018 NH1 ARG A 65 2.556 9.603 9.164 1.00 0.00 N ATOM 1019 NH2 ARG A 65 1.478 10.998 10.631 1.00 0.00 N ATOM 0 H ARG A 65 -1.661 12.285 4.070 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.176 10.091 3.861 1.00 0.00 H new ATOM 0 HB2 ARG A 65 0.189 12.114 5.342 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -0.859 11.371 6.534 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.671 9.622 6.979 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.547 9.876 5.483 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.993 10.879 6.995 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.048 12.265 6.488 1.00 0.00 H new ATOM 0 HE ARG A 65 1.068 12.395 8.613 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.864 9.382 8.217 1.00 0.00 H new ATOM 0 HH12 ARG A 65 2.772 8.967 9.932 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.954 11.854 10.815 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.696 10.359 11.396 1.00 0.00 H new ATOM 1033 N ARG A 66 -2.540 9.391 6.081 1.00 0.00 N ATOM 1034 CA ARG A 66 -3.271 8.295 6.702 1.00 0.00 C ATOM 1035 C ARG A 66 -4.035 7.489 5.656 1.00 0.00 C ATOM 1036 O ARG A 66 -3.845 6.279 5.529 1.00 0.00 O ATOM 1037 CB ARG A 66 -4.241 8.833 7.755 1.00 0.00 C ATOM 1038 CG ARG A 66 -4.850 7.750 8.632 1.00 0.00 C ATOM 1039 CD ARG A 66 -5.891 8.323 9.581 1.00 0.00 C ATOM 1040 NE ARG A 66 -6.040 7.509 10.785 1.00 0.00 N ATOM 1041 CZ ARG A 66 -6.938 7.757 11.733 1.00 0.00 C ATOM 1042 NH1 ARG A 66 -7.762 8.789 11.618 1.00 0.00 N ATOM 1043 NH2 ARG A 66 -7.012 6.970 12.799 1.00 0.00 N ATOM 0 H ARG A 66 -2.826 10.319 6.394 1.00 0.00 H new ATOM 0 HA ARG A 66 -2.548 7.638 7.185 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.717 9.549 8.388 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -5.042 9.377 7.255 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -5.309 6.987 8.004 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -4.064 7.260 9.206 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.607 9.337 9.862 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.851 8.391 9.068 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.421 6.707 10.905 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.708 9.396 10.800 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.450 8.976 12.348 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -6.380 6.175 12.891 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -7.701 7.160 13.527 1.00 0.00 H new ATOM 1057 N ARG A 67 -4.900 8.168 4.909 1.00 0.00 N ATOM 1058 CA ARG A 67 -5.695 7.516 3.875 1.00 0.00 C ATOM 1059 C ARG A 67 -4.885 6.431 3.172 1.00 0.00 C ATOM 1060 O ARG A 67 -5.332 5.292 3.044 1.00 0.00 O ATOM 1061 CB ARG A 67 -6.185 8.544 2.855 1.00 0.00 C ATOM 1062 CG ARG A 67 -6.861 7.923 1.642 1.00 0.00 C ATOM 1063 CD ARG A 67 -7.410 8.988 0.705 1.00 0.00 C ATOM 1064 NE ARG A 67 -8.113 8.405 -0.434 1.00 0.00 N ATOM 1065 CZ ARG A 67 -8.700 9.125 -1.383 1.00 0.00 C ATOM 1066 NH1 ARG A 67 -8.668 10.450 -1.330 1.00 0.00 N ATOM 1067 NH2 ARG A 67 -9.320 8.521 -2.389 1.00 0.00 N ATOM 0 H ARG A 67 -5.068 9.170 5.001 1.00 0.00 H new ATOM 0 HA ARG A 67 -6.557 7.050 4.353 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -6.885 9.223 3.343 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.339 9.144 2.521 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.147 7.298 1.106 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -7.671 7.272 1.969 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -8.089 9.640 1.255 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.591 9.611 0.345 1.00 0.00 H new ATOM 0 HE ARG A 67 -8.156 7.388 -0.505 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -8.192 10.918 -0.559 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -9.120 11.001 -2.060 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -9.346 7.502 -2.434 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -9.770 9.075 -3.117 1.00 0.00 H new ATOM 1081 N ALA A 68 -3.690 6.793 2.715 1.00 0.00 N ATOM 1082 CA ALA A 68 -2.818 5.851 2.026 1.00 0.00 C ATOM 1083 C ALA A 68 -2.569 4.610 2.876 1.00 0.00 C ATOM 1084 O ALA A 68 -2.758 3.483 2.418 1.00 0.00 O ATOM 1085 CB ALA A 68 -1.499 6.520 1.666 1.00 0.00 C ATOM 0 H ALA A 68 -3.304 7.733 2.810 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.316 5.537 1.109 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.857 5.805 1.152 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.689 7.372 1.013 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.005 6.863 2.575 1.00 0.00 H new ATOM 1091 N VAL A 69 -2.142 4.824 4.117 1.00 0.00 N ATOM 1092 CA VAL A 69 -1.869 3.722 5.032 1.00 0.00 C ATOM 1093 C VAL A 69 -2.997 2.697 5.012 1.00 0.00 C ATOM 1094 O VAL A 69 -2.761 1.503 4.826 1.00 0.00 O ATOM 1095 CB VAL A 69 -1.672 4.225 6.473 1.00 0.00 C ATOM 1096 CG1 VAL A 69 -1.432 3.059 7.419 1.00 0.00 C ATOM 1097 CG2 VAL A 69 -0.522 5.219 6.539 1.00 0.00 C ATOM 0 H VAL A 69 -1.978 5.750 4.511 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.948 3.249 4.691 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.583 4.735 6.787 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.295 3.435 8.433 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.290 2.388 7.394 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.538 2.517 7.109 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.398 5.564 7.566 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.396 4.736 6.205 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.740 6.070 5.894 1.00 0.00 H new ATOM 1107 N ILE A 70 -4.223 3.172 5.204 1.00 0.00 N ATOM 1108 CA ILE A 70 -5.389 2.297 5.207 1.00 0.00 C ATOM 1109 C ILE A 70 -5.553 1.596 3.862 1.00 0.00 C ATOM 1110 O ILE A 70 -5.611 0.369 3.795 1.00 0.00 O ATOM 1111 CB ILE A 70 -6.678 3.078 5.528 1.00 0.00 C ATOM 1112 CG1 ILE A 70 -6.566 3.747 6.899 1.00 0.00 C ATOM 1113 CG2 ILE A 70 -7.883 2.152 5.481 1.00 0.00 C ATOM 1114 CD1 ILE A 70 -7.581 4.848 7.118 1.00 0.00 C ATOM 0 H ILE A 70 -4.435 4.158 5.359 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.223 1.551 5.985 1.00 0.00 H new ATOM 0 HB ILE A 70 -6.812 3.855 4.775 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -6.689 2.991 7.675 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -5.564 4.160 7.012 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.786 2.718 5.710 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.970 1.718 4.485 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.759 1.355 6.214 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -7.443 5.278 8.110 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -7.445 5.624 6.365 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -8.587 4.437 7.037 1.00 0.00 H new ATOM 1126 N GLU A 71 -5.628 2.386 2.795 1.00 0.00 N ATOM 1127 CA GLU A 71 -5.784 1.839 1.452 1.00 0.00 C ATOM 1128 C GLU A 71 -4.826 0.674 1.223 1.00 0.00 C ATOM 1129 O GLU A 71 -5.243 -0.421 0.844 1.00 0.00 O ATOM 1130 CB GLU A 71 -5.540 2.927 0.404 1.00 0.00 C ATOM 1131 CG GLU A 71 -6.773 3.757 0.090 1.00 0.00 C ATOM 1132 CD GLU A 71 -7.781 3.008 -0.760 1.00 0.00 C ATOM 1133 OE1 GLU A 71 -7.356 2.155 -1.568 1.00 0.00 O ATOM 1134 OE2 GLU A 71 -8.993 3.273 -0.617 1.00 0.00 O ATOM 0 H GLU A 71 -5.583 3.404 2.834 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.805 1.471 1.354 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -4.748 3.588 0.756 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.182 2.461 -0.514 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.247 4.064 1.023 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.471 4.667 -0.429 1.00 0.00 H new ATOM 1141 N VAL A 72 -3.541 0.917 1.457 1.00 0.00 N ATOM 1142 CA VAL A 72 -2.524 -0.111 1.277 1.00 0.00 C ATOM 1143 C VAL A 72 -2.741 -1.273 2.240 1.00 0.00 C ATOM 1144 O VAL A 72 -2.921 -2.415 1.818 1.00 0.00 O ATOM 1145 CB VAL A 72 -1.107 0.457 1.488 1.00 0.00 C ATOM 1146 CG1 VAL A 72 -0.071 -0.656 1.430 1.00 0.00 C ATOM 1147 CG2 VAL A 72 -0.805 1.531 0.454 1.00 0.00 C ATOM 0 H VAL A 72 -3.179 1.817 1.772 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.615 -0.470 0.252 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.061 0.913 2.477 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.923 -0.236 1.581 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.278 -1.387 2.211 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.115 -1.143 0.456 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.199 1.921 0.618 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.869 1.102 -0.546 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.529 2.341 0.548 1.00 0.00 H new ATOM 1157 N GLN A 73 -2.724 -0.973 3.535 1.00 0.00 N ATOM 1158 CA GLN A 73 -2.919 -1.994 4.558 1.00 0.00 C ATOM 1159 C GLN A 73 -4.074 -2.920 4.189 1.00 0.00 C ATOM 1160 O GLN A 73 -4.020 -4.125 4.435 1.00 0.00 O ATOM 1161 CB GLN A 73 -3.186 -1.341 5.915 1.00 0.00 C ATOM 1162 CG GLN A 73 -1.921 -0.989 6.680 1.00 0.00 C ATOM 1163 CD GLN A 73 -1.230 -2.208 7.258 1.00 0.00 C ATOM 1164 OE1 GLN A 73 -1.870 -3.219 7.549 1.00 0.00 O ATOM 1165 NE2 GLN A 73 0.084 -2.119 7.431 1.00 0.00 N ATOM 0 H GLN A 73 -2.577 -0.032 3.900 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.007 -2.588 4.622 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.773 -0.435 5.764 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -3.791 -2.016 6.521 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -1.233 -0.467 6.015 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -2.169 -0.300 7.487 1.00 0.00 H new ATOM 0 HE21 GLN A 73 0.575 -1.262 7.176 1.00 0.00 H new ATOM 0 HE22 GLN A 73 0.602 -2.908 7.819 1.00 0.00 H new ATOM 1174 N THR A 74 -5.118 -2.349 3.599 1.00 0.00 N ATOM 1175 CA THR A 74 -6.287 -3.122 3.198 1.00 0.00 C ATOM 1176 C THR A 74 -5.882 -4.483 2.643 1.00 0.00 C ATOM 1177 O THR A 74 -6.401 -5.517 3.066 1.00 0.00 O ATOM 1178 CB THR A 74 -7.119 -2.375 2.137 1.00 0.00 C ATOM 1179 OG1 THR A 74 -7.331 -1.019 2.547 1.00 0.00 O ATOM 1180 CG2 THR A 74 -8.460 -3.059 1.921 1.00 0.00 C ATOM 0 H THR A 74 -5.179 -1.353 3.388 1.00 0.00 H new ATOM 0 HA THR A 74 -6.894 -3.263 4.092 1.00 0.00 H new ATOM 0 HB THR A 74 -6.566 -2.389 1.198 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.467 -0.566 2.637 1.00 0.00 H new ATOM 0 HG21 THR A 74 -9.029 -2.514 1.168 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.296 -4.082 1.582 1.00 0.00 H new ATOM 0 HG23 THR A 74 -9.017 -3.072 2.858 1.00 0.00 H new ATOM 1188 N LEU A 75 -4.952 -4.476 1.695 1.00 0.00 N ATOM 1189 CA LEU A 75 -4.476 -5.712 1.081 1.00 0.00 C ATOM 1190 C LEU A 75 -3.770 -6.592 2.107 1.00 0.00 C ATOM 1191 O LEU A 75 -4.137 -7.752 2.301 1.00 0.00 O ATOM 1192 CB LEU A 75 -3.528 -5.397 -0.077 1.00 0.00 C ATOM 1193 CG LEU A 75 -4.189 -5.019 -1.403 1.00 0.00 C ATOM 1194 CD1 LEU A 75 -3.166 -4.430 -2.361 1.00 0.00 C ATOM 1195 CD2 LEU A 75 -4.868 -6.231 -2.025 1.00 0.00 C ATOM 0 H LEU A 75 -4.512 -3.629 1.334 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.340 -6.255 0.697 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.875 -4.579 0.227 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.892 -6.266 -0.246 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.949 -4.263 -1.205 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.655 -4.167 -3.299 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.725 -3.537 -1.919 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.383 -5.163 -2.553 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.333 -5.943 -2.968 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.127 -7.009 -2.208 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.631 -6.610 -1.345 1.00 0.00 H new ATOM 1207 N ILE A 76 -2.759 -6.033 2.762 1.00 0.00 N ATOM 1208 CA ILE A 76 -2.004 -6.766 3.771 1.00 0.00 C ATOM 1209 C ILE A 76 -2.929 -7.596 4.654 1.00 0.00 C ATOM 1210 O ILE A 76 -2.606 -8.726 5.022 1.00 0.00 O ATOM 1211 CB ILE A 76 -1.180 -5.815 4.659 1.00 0.00 C ATOM 1212 CG1 ILE A 76 -0.077 -5.142 3.840 1.00 0.00 C ATOM 1213 CG2 ILE A 76 -0.585 -6.573 5.837 1.00 0.00 C ATOM 1214 CD1 ILE A 76 0.700 -4.101 4.613 1.00 0.00 C ATOM 0 H ILE A 76 -2.443 -5.075 2.612 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.324 -7.430 3.237 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.842 -5.040 5.047 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.613 -5.905 3.479 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.522 -4.674 2.962 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -0.005 -5.888 6.455 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.388 -7.008 6.432 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.065 -7.367 5.468 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.465 -3.666 3.970 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.022 -3.318 4.951 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.174 -4.568 5.476 1.00 0.00 H new ATOM 1226 N THR A 77 -4.082 -7.029 4.991 1.00 0.00 N ATOM 1227 CA THR A 77 -5.056 -7.715 5.831 1.00 0.00 C ATOM 1228 C THR A 77 -5.774 -8.813 5.054 1.00 0.00 C ATOM 1229 O THR A 77 -6.011 -9.903 5.576 1.00 0.00 O ATOM 1230 CB THR A 77 -6.100 -6.736 6.397 1.00 0.00 C ATOM 1231 OG1 THR A 77 -5.452 -5.723 7.173 1.00 0.00 O ATOM 1232 CG2 THR A 77 -7.119 -7.468 7.257 1.00 0.00 C ATOM 0 H THR A 77 -4.365 -6.095 4.695 1.00 0.00 H new ATOM 0 HA THR A 77 -4.502 -8.160 6.658 1.00 0.00 H new ATOM 0 HB THR A 77 -6.622 -6.273 5.560 1.00 0.00 H new ATOM 0 HG1 THR A 77 -6.123 -5.103 7.528 1.00 0.00 H new ATOM 0 HG21 THR A 77 -7.846 -6.755 7.646 1.00 0.00 H new ATOM 0 HG22 THR A 77 -7.632 -8.218 6.655 1.00 0.00 H new ATOM 0 HG23 THR A 77 -6.610 -7.956 8.088 1.00 0.00 H new ATOM 1240 N TYR A 78 -6.117 -8.520 3.804 1.00 0.00 N ATOM 1241 CA TYR A 78 -6.811 -9.483 2.956 1.00 0.00 C ATOM 1242 C TYR A 78 -6.027 -10.788 2.861 1.00 0.00 C ATOM 1243 O TYR A 78 -6.597 -11.875 2.959 1.00 0.00 O ATOM 1244 CB TYR A 78 -7.025 -8.900 1.558 1.00 0.00 C ATOM 1245 CG TYR A 78 -7.281 -9.948 0.499 1.00 0.00 C ATOM 1246 CD1 TYR A 78 -8.354 -10.824 0.605 1.00 0.00 C ATOM 1247 CD2 TYR A 78 -6.451 -10.061 -0.610 1.00 0.00 C ATOM 1248 CE1 TYR A 78 -8.591 -11.784 -0.360 1.00 0.00 C ATOM 1249 CE2 TYR A 78 -6.681 -11.016 -1.581 1.00 0.00 C ATOM 1250 CZ TYR A 78 -7.753 -11.875 -1.451 1.00 0.00 C ATOM 1251 OH TYR A 78 -7.986 -12.829 -2.415 1.00 0.00 O ATOM 0 H TYR A 78 -5.926 -7.624 3.356 1.00 0.00 H new ATOM 0 HA TYR A 78 -7.781 -9.695 3.407 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -7.868 -8.210 1.586 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -6.147 -8.319 1.277 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -9.014 -10.753 1.457 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -5.611 -9.390 -0.714 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -9.428 -12.459 -0.260 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -6.026 -11.090 -2.437 1.00 0.00 H new ATOM 0 HH TYR A 78 -7.305 -12.758 -3.116 1.00 0.00 H new ATOM 1261 N ILE A 79 -4.718 -10.672 2.670 1.00 0.00 N ATOM 1262 CA ILE A 79 -3.855 -11.842 2.563 1.00 0.00 C ATOM 1263 C ILE A 79 -3.728 -12.556 3.905 1.00 0.00 C ATOM 1264 O ILE A 79 -3.941 -13.765 3.998 1.00 0.00 O ATOM 1265 CB ILE A 79 -2.449 -11.461 2.063 1.00 0.00 C ATOM 1266 CG1 ILE A 79 -2.498 -11.075 0.583 1.00 0.00 C ATOM 1267 CG2 ILE A 79 -1.478 -12.611 2.284 1.00 0.00 C ATOM 1268 CD1 ILE A 79 -1.250 -10.369 0.101 1.00 0.00 C ATOM 0 H ILE A 79 -4.231 -9.780 2.586 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.320 -12.512 1.840 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.098 -10.601 2.633 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.650 -11.974 -0.014 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.360 -10.430 0.413 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.489 -12.326 1.925 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.425 -12.843 3.348 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -1.823 -13.489 1.737 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.355 -10.125 -0.956 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.107 -9.452 0.672 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.387 -11.020 0.239 1.00 0.00 H new ATOM 1280 N ASP A 80 -3.382 -11.800 4.941 1.00 0.00 N ATOM 1281 CA ASP A 80 -3.231 -12.360 6.278 1.00 0.00 C ATOM 1282 C ASP A 80 -4.373 -13.319 6.600 1.00 0.00 C ATOM 1283 O ASP A 80 -4.150 -14.419 7.105 1.00 0.00 O ATOM 1284 CB ASP A 80 -3.180 -11.241 7.320 1.00 0.00 C ATOM 1285 CG ASP A 80 -3.239 -11.768 8.740 1.00 0.00 C ATOM 1286 OD1 ASP A 80 -4.351 -12.082 9.211 1.00 0.00 O ATOM 1287 OD2 ASP A 80 -2.171 -11.867 9.381 1.00 0.00 O ATOM 0 H ASP A 80 -3.201 -10.798 4.880 1.00 0.00 H new ATOM 0 HA ASP A 80 -2.295 -12.917 6.307 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.263 -10.666 7.187 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -4.012 -10.557 7.155 1.00 0.00 H new ATOM 1292 N LEU A 81 -5.596 -12.894 6.303 1.00 0.00 N ATOM 1293 CA LEU A 81 -6.774 -13.714 6.561 1.00 0.00 C ATOM 1294 C LEU A 81 -6.776 -14.958 5.676 1.00 0.00 C ATOM 1295 O LEU A 81 -6.860 -16.083 6.169 1.00 0.00 O ATOM 1296 CB LEU A 81 -8.048 -12.902 6.321 1.00 0.00 C ATOM 1297 CG LEU A 81 -8.427 -11.908 7.419 1.00 0.00 C ATOM 1298 CD1 LEU A 81 -9.530 -10.978 6.940 1.00 0.00 C ATOM 1299 CD2 LEU A 81 -8.857 -12.643 8.679 1.00 0.00 C ATOM 0 H LEU A 81 -5.798 -11.986 5.883 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.744 -14.032 7.603 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.935 -12.354 5.386 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.877 -13.596 6.185 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.550 -11.306 7.655 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.786 -10.278 7.735 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.186 -10.425 6.066 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.410 -11.564 6.675 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.123 -11.919 9.449 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.720 -13.271 8.457 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.037 -13.266 9.034 1.00 0.00 H new ATOM 1311 N LYS A 82 -6.682 -14.747 4.368 1.00 0.00 N ATOM 1312 CA LYS A 82 -6.669 -15.849 3.414 1.00 0.00 C ATOM 1313 C LYS A 82 -5.609 -16.880 3.788 1.00 0.00 C ATOM 1314 O LYS A 82 -5.924 -18.040 4.047 1.00 0.00 O ATOM 1315 CB LYS A 82 -6.409 -15.323 2.000 1.00 0.00 C ATOM 1316 CG LYS A 82 -7.669 -14.890 1.271 1.00 0.00 C ATOM 1317 CD LYS A 82 -8.597 -16.065 1.015 1.00 0.00 C ATOM 1318 CE LYS A 82 -9.485 -15.821 -0.196 1.00 0.00 C ATOM 1319 NZ LYS A 82 -8.841 -16.282 -1.457 1.00 0.00 N ATOM 0 H LYS A 82 -6.614 -13.822 3.944 1.00 0.00 H new ATOM 0 HA LYS A 82 -7.646 -16.332 3.441 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -5.723 -14.478 2.056 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -5.911 -16.099 1.418 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -8.190 -14.135 1.860 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -7.400 -14.424 0.323 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -8.007 -16.968 0.859 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -9.218 -16.238 1.894 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -10.434 -16.341 -0.061 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -9.712 -14.758 -0.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -9.477 -16.098 -2.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -7.948 -15.768 -1.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -8.647 -17.302 -1.395 1.00 0.00 H new ATOM 1333 N GLU A 83 -4.352 -16.447 3.816 1.00 0.00 N ATOM 1334 CA GLU A 83 -3.247 -17.334 4.159 1.00 0.00 C ATOM 1335 C GLU A 83 -3.675 -18.356 5.208 1.00 0.00 C ATOM 1336 O GLU A 83 -3.620 -19.562 4.972 1.00 0.00 O ATOM 1337 CB GLU A 83 -2.056 -16.524 4.677 1.00 0.00 C ATOM 1338 CG GLU A 83 -0.710 -17.171 4.392 1.00 0.00 C ATOM 1339 CD GLU A 83 -0.265 -18.102 5.503 1.00 0.00 C ATOM 1340 OE1 GLU A 83 -0.934 -19.134 5.717 1.00 0.00 O ATOM 1341 OE2 GLU A 83 0.754 -17.797 6.158 1.00 0.00 O ATOM 0 H GLU A 83 -4.074 -15.488 3.605 1.00 0.00 H new ATOM 0 HA GLU A 83 -2.950 -17.868 3.256 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.077 -15.533 4.224 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -2.162 -16.385 5.753 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.769 -17.729 3.457 1.00 0.00 H new ATOM 0 HG3 GLU A 83 0.041 -16.393 4.252 1.00 0.00 H new ATOM 1348 N SER A 84 -4.101 -17.863 6.367 1.00 0.00 N ATOM 1349 CA SER A 84 -4.535 -18.733 7.454 1.00 0.00 C ATOM 1350 C SER A 84 -5.764 -19.540 7.046 1.00 0.00 C ATOM 1351 O SER A 84 -6.590 -19.079 6.259 1.00 0.00 O ATOM 1352 CB SER A 84 -4.844 -17.907 8.703 1.00 0.00 C ATOM 1353 OG SER A 84 -3.756 -17.064 9.040 1.00 0.00 O ATOM 0 H SER A 84 -4.155 -16.866 6.577 1.00 0.00 H new ATOM 0 HA SER A 84 -3.725 -19.427 7.678 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.736 -17.304 8.532 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.064 -18.573 9.538 1.00 0.00 H new ATOM 0 HG SER A 84 -3.806 -16.239 8.514 1.00 0.00 H new ATOM 1359 N GLY A 85 -5.878 -20.749 7.589 1.00 0.00 N ATOM 1360 CA GLY A 85 -7.008 -21.602 7.271 1.00 0.00 C ATOM 1361 C GLY A 85 -8.322 -21.034 7.771 1.00 0.00 C ATOM 1362 O GLY A 85 -8.381 -20.371 8.807 1.00 0.00 O ATOM 0 H GLY A 85 -5.208 -21.152 8.243 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -7.063 -21.740 6.191 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -6.851 -22.587 7.710 1.00 0.00 H new ATOM 1366 N PRO A 86 -9.405 -21.293 7.025 1.00 0.00 N ATOM 1367 CA PRO A 86 -10.744 -20.810 7.379 1.00 0.00 C ATOM 1368 C PRO A 86 -11.305 -21.511 8.611 1.00 0.00 C ATOM 1369 O PRO A 86 -11.582 -22.710 8.584 1.00 0.00 O ATOM 1370 CB PRO A 86 -11.581 -21.151 6.144 1.00 0.00 C ATOM 1371 CG PRO A 86 -10.871 -22.295 5.507 1.00 0.00 C ATOM 1372 CD PRO A 86 -9.408 -22.076 5.778 1.00 0.00 C ATOM 0 HA PRO A 86 -10.742 -19.749 7.631 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -12.600 -21.422 6.419 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -11.650 -20.301 5.465 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -11.207 -23.244 5.924 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -11.069 -22.329 4.436 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -8.875 -23.020 5.895 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -8.925 -21.536 4.964 1.00 0.00 H new ATOM 1380 N SER A 87 -11.471 -20.755 9.692 1.00 0.00 N ATOM 1381 CA SER A 87 -11.995 -21.305 10.936 1.00 0.00 C ATOM 1382 C SER A 87 -13.307 -22.046 10.692 1.00 0.00 C ATOM 1383 O SER A 87 -14.115 -21.642 9.857 1.00 0.00 O ATOM 1384 CB SER A 87 -12.210 -20.189 11.961 1.00 0.00 C ATOM 1385 OG SER A 87 -10.992 -19.533 12.264 1.00 0.00 O ATOM 0 H SER A 87 -11.250 -19.760 9.731 1.00 0.00 H new ATOM 0 HA SER A 87 -11.265 -22.013 11.328 1.00 0.00 H new ATOM 0 HB2 SER A 87 -12.928 -19.467 11.572 1.00 0.00 H new ATOM 0 HB3 SER A 87 -12.639 -20.606 12.872 1.00 0.00 H new ATOM 0 HG SER A 87 -11.157 -18.823 12.920 1.00 0.00 H new ATOM 1391 N SER A 88 -13.510 -23.134 11.428 1.00 0.00 N ATOM 1392 CA SER A 88 -14.721 -23.935 11.290 1.00 0.00 C ATOM 1393 C SER A 88 -15.763 -23.527 12.326 1.00 0.00 C ATOM 1394 O SER A 88 -16.904 -23.215 11.987 1.00 0.00 O ATOM 1395 CB SER A 88 -14.393 -25.422 11.436 1.00 0.00 C ATOM 1396 OG SER A 88 -14.054 -25.740 12.775 1.00 0.00 O ATOM 0 H SER A 88 -12.852 -23.481 12.126 1.00 0.00 H new ATOM 0 HA SER A 88 -15.134 -23.758 10.297 1.00 0.00 H new ATOM 0 HB2 SER A 88 -15.249 -26.019 11.123 1.00 0.00 H new ATOM 0 HB3 SER A 88 -13.565 -25.682 10.776 1.00 0.00 H new ATOM 0 HG SER A 88 -13.850 -26.696 12.843 1.00 0.00 H new ATOM 1402 N GLY A 89 -15.362 -23.534 13.594 1.00 0.00 N ATOM 1403 CA GLY A 89 -16.272 -23.164 14.662 1.00 0.00 C ATOM 1404 C GLY A 89 -17.111 -21.950 14.315 1.00 0.00 C ATOM 1405 O GLY A 89 -18.155 -21.715 14.922 1.00 0.00 O ATOM 0 H GLY A 89 -14.423 -23.789 13.900 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -16.929 -24.005 14.883 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -15.701 -22.960 15.568 1.00 0.00 H new TER 1409 GLY A 89