USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 606 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 NoAdj-H: A 58 HIS HD1 : A 58 HIS ND1 : A 200 ZNZN :(H bumps) USER MOD Set 1.1: A 31 GLN : amide:sc= 0.762 K(o=1.4,f=-0.56) USER MOD Set 1.2: A 52 TYR OH : rot 180:sc= 0.337 USER MOD Set 1.3: A 71 SER OG : rot 145:sc= 0.331 USER MOD Set 2.1: A 42 GLN : amide:sc= 1.03 K(o=1.8,f=-9!) USER MOD Set 2.2: A 56 ASN : amide:sc= 0.735 K(o=1.8,f=-11!) USER MOD Set 3.1: A 15 ASN : amide:sc= 0 K(o=1.2,f=0.71) USER MOD Set 3.2: A 18 THR OG1 : rot -73:sc= 1.24 USER MOD Set 4.1: A 5 CYS SG : rot -130:sc= 0.476 USER MOD Set 4.2: A 10 HIS : no HE2:sc= -0.139 K(o=2.3,f=-3.8!) USER MOD Set 4.3: A 21 CYS SG : rot -139:sc= 0.317 USER MOD Set 4.4: A 23 THR OG1 : rot -98:sc= 1.9 USER MOD Set 4.5: A 24 CYS SG : rot 48:sc= -0.229! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -173:sc= -0.164! (180deg=-0.642!) USER MOD Single : A 4 THR OG1 : rot -33:sc= 1.2 USER MOD Single : A 9 HIS : no HD1:sc= -0.269 X(o=-0.27,f=-0.26) USER MOD Single : A 20 HIS : no HD1:sc= -0.935 K(o=-0.93,f=-6.8!) USER MOD Single : A 26 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0336) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN :FLIP amide:sc= 0 F(o=-0.69,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 CYS SG : rot 180:sc= 0 USER MOD Single : A 54 CYS SG : rot -138:sc= -0.931 USER MOD Single : A 55 GLN :FLIP amide:sc= -0.104 F(o=-2.4,f=-0.1) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0094 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -154:sc= -0.151 (180deg=-0.719) USER MOD Single : A 67 ASN : amide:sc= -0.7 X(o=-0.7,f=-0.82) USER MOD Single : A 73 GLN : amide:sc= -0.158 X(o=-0.16,f=-0.65) USER MOD Single : A 76 HIS : no HE2:sc= 0.857 K(o=0.86,f=-3.5!) USER MOD Single : A 77 HIS : no HD1:sc= -0.0914 X(o=-0.091,f=0) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=-0.0044) USER MOD Single : A 80 HIS : no HE2:sc= 1.13 K(o=1.1,f=-3.9!) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.520 0.431 3.952 1.00 0.00 N ATOM 2 CA MET A 1 13.218 0.342 4.655 1.00 0.00 C ATOM 3 C MET A 1 12.408 1.618 4.447 1.00 0.00 C ATOM 4 O MET A 1 11.344 1.797 5.040 1.00 0.00 O ATOM 5 CB MET A 1 13.413 0.066 6.154 1.00 0.00 C ATOM 6 CG MET A 1 14.292 1.076 6.875 1.00 0.00 C ATOM 7 SD MET A 1 15.996 1.054 6.286 1.00 0.00 S ATOM 8 CE MET A 1 16.763 2.192 7.440 1.00 0.00 C ATOM 0 H1 MET A 1 15.006 -0.487 4.004 1.00 0.00 H new ATOM 0 H2 MET A 1 14.360 0.682 2.955 1.00 0.00 H new ATOM 0 H3 MET A 1 15.108 1.161 4.402 1.00 0.00 H new ATOM 0 HA MET A 1 12.664 -0.495 4.229 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.436 0.045 6.636 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.849 -0.926 6.274 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.877 2.075 6.740 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.278 0.867 7.945 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.824 2.287 7.207 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.285 3.169 7.360 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.647 1.814 8.456 1.00 0.00 H new ATOM 20 N GLU A 2 12.922 2.507 3.609 1.00 0.00 N ATOM 21 CA GLU A 2 12.185 3.689 3.194 1.00 0.00 C ATOM 22 C GLU A 2 11.723 3.463 1.758 1.00 0.00 C ATOM 23 O GLU A 2 12.454 2.870 0.966 1.00 0.00 O ATOM 24 CB GLU A 2 13.081 4.931 3.316 1.00 0.00 C ATOM 25 CG GLU A 2 12.335 6.261 3.373 1.00 0.00 C ATOM 26 CD GLU A 2 11.894 6.763 2.016 1.00 0.00 C ATOM 27 OE1 GLU A 2 12.766 7.200 1.239 1.00 0.00 O ATOM 28 OE2 GLU A 2 10.684 6.720 1.718 1.00 0.00 O ATOM 0 H GLU A 2 13.854 2.430 3.201 1.00 0.00 H new ATOM 0 HA GLU A 2 11.316 3.858 3.830 1.00 0.00 H new ATOM 0 HB2 GLU A 2 13.690 4.834 4.215 1.00 0.00 H new ATOM 0 HB3 GLU A 2 13.765 4.952 2.468 1.00 0.00 H new ATOM 0 HG2 GLU A 2 11.460 6.151 4.013 1.00 0.00 H new ATOM 0 HG3 GLU A 2 12.977 7.009 3.838 1.00 0.00 H new ATOM 35 N ILE A 3 10.513 3.897 1.433 1.00 0.00 N ATOM 36 CA ILE A 3 9.943 3.632 0.117 1.00 0.00 C ATOM 37 C ILE A 3 10.779 4.295 -0.968 1.00 0.00 C ATOM 38 O ILE A 3 11.254 3.633 -1.894 1.00 0.00 O ATOM 39 CB ILE A 3 8.484 4.121 0.017 1.00 0.00 C ATOM 40 CG1 ILE A 3 7.668 3.611 1.210 1.00 0.00 C ATOM 41 CG2 ILE A 3 7.858 3.651 -1.289 1.00 0.00 C ATOM 42 CD1 ILE A 3 6.243 4.122 1.238 1.00 0.00 C ATOM 0 H ILE A 3 9.909 4.431 2.058 1.00 0.00 H new ATOM 0 HA ILE A 3 9.950 2.552 -0.027 1.00 0.00 H new ATOM 0 HB ILE A 3 8.481 5.211 0.034 1.00 0.00 H new ATOM 0 HG12 ILE A 3 7.653 2.521 1.189 1.00 0.00 H new ATOM 0 HG13 ILE A 3 8.168 3.905 2.133 1.00 0.00 H new ATOM 0 HG21 ILE A 3 6.828 4.003 -1.346 1.00 0.00 H new ATOM 0 HG22 ILE A 3 8.426 4.051 -2.129 1.00 0.00 H new ATOM 0 HG23 ILE A 3 7.872 2.562 -1.328 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.729 3.718 2.110 1.00 0.00 H new ATOM 0 HD12 ILE A 3 6.248 5.211 1.291 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.725 3.805 0.333 1.00 0.00 H new ATOM 54 N THR A 4 10.972 5.597 -0.808 1.00 0.00 N ATOM 55 CA THR A 4 11.807 6.400 -1.697 1.00 0.00 C ATOM 56 C THR A 4 11.214 6.532 -3.104 1.00 0.00 C ATOM 57 O THR A 4 10.846 5.545 -3.739 1.00 0.00 O ATOM 58 CB THR A 4 13.231 5.809 -1.795 1.00 0.00 C ATOM 59 OG1 THR A 4 13.714 5.495 -0.482 1.00 0.00 O ATOM 60 CG2 THR A 4 14.187 6.790 -2.453 1.00 0.00 C ATOM 0 H THR A 4 10.550 6.133 -0.050 1.00 0.00 H new ATOM 0 HA THR A 4 11.851 7.397 -1.258 1.00 0.00 H new ATOM 0 HB THR A 4 13.182 4.906 -2.404 1.00 0.00 H new ATOM 0 HG1 THR A 4 13.355 6.141 0.162 1.00 0.00 H new ATOM 0 HG21 THR A 4 15.181 6.347 -2.509 1.00 0.00 H new ATOM 0 HG22 THR A 4 13.836 7.021 -3.459 1.00 0.00 H new ATOM 0 HG23 THR A 4 14.230 7.706 -1.864 1.00 0.00 H new ATOM 68 N CYS A 5 11.115 7.766 -3.586 1.00 0.00 N ATOM 69 CA CYS A 5 10.726 8.002 -4.967 1.00 0.00 C ATOM 70 C CYS A 5 11.907 7.669 -5.872 1.00 0.00 C ATOM 71 O CYS A 5 12.931 8.359 -5.844 1.00 0.00 O ATOM 72 CB CYS A 5 10.292 9.455 -5.177 1.00 0.00 C ATOM 73 SG CYS A 5 9.746 9.828 -6.863 1.00 0.00 S ATOM 0 H CYS A 5 11.298 8.611 -3.044 1.00 0.00 H new ATOM 0 HA CYS A 5 9.876 7.365 -5.212 1.00 0.00 H new ATOM 0 HB2 CYS A 5 9.482 9.684 -4.485 1.00 0.00 H new ATOM 0 HB3 CYS A 5 11.124 10.112 -4.922 1.00 0.00 H new ATOM 0 HG CYS A 5 10.357 10.893 -7.291 1.00 0.00 H new ATOM 78 N PRO A 6 11.779 6.609 -6.686 1.00 0.00 N ATOM 79 CA PRO A 6 12.891 6.061 -7.475 1.00 0.00 C ATOM 80 C PRO A 6 13.490 7.062 -8.461 1.00 0.00 C ATOM 81 O PRO A 6 14.645 6.932 -8.859 1.00 0.00 O ATOM 82 CB PRO A 6 12.258 4.885 -8.231 1.00 0.00 C ATOM 83 CG PRO A 6 10.792 5.140 -8.195 1.00 0.00 C ATOM 84 CD PRO A 6 10.532 5.857 -6.905 1.00 0.00 C ATOM 0 HA PRO A 6 13.724 5.780 -6.830 1.00 0.00 H new ATOM 0 HB2 PRO A 6 12.624 4.834 -9.257 1.00 0.00 H new ATOM 0 HB3 PRO A 6 12.504 3.935 -7.757 1.00 0.00 H new ATOM 0 HG2 PRO A 6 10.479 5.743 -9.047 1.00 0.00 H new ATOM 0 HG3 PRO A 6 10.232 4.206 -8.243 1.00 0.00 H new ATOM 0 HD2 PRO A 6 9.669 6.519 -6.978 1.00 0.00 H new ATOM 0 HD3 PRO A 6 10.332 5.161 -6.090 1.00 0.00 H new ATOM 92 N VAL A 7 12.711 8.063 -8.842 1.00 0.00 N ATOM 93 CA VAL A 7 13.161 9.035 -9.830 1.00 0.00 C ATOM 94 C VAL A 7 13.628 10.333 -9.173 1.00 0.00 C ATOM 95 O VAL A 7 13.923 11.313 -9.856 1.00 0.00 O ATOM 96 CB VAL A 7 12.052 9.348 -10.862 1.00 0.00 C ATOM 97 CG1 VAL A 7 11.698 8.103 -11.661 1.00 0.00 C ATOM 98 CG2 VAL A 7 10.814 9.911 -10.182 1.00 0.00 C ATOM 0 H VAL A 7 11.769 8.224 -8.485 1.00 0.00 H new ATOM 0 HA VAL A 7 14.007 8.583 -10.348 1.00 0.00 H new ATOM 0 HB VAL A 7 12.436 10.104 -11.547 1.00 0.00 H new ATOM 0 HG11 VAL A 7 10.916 8.343 -12.382 1.00 0.00 H new ATOM 0 HG12 VAL A 7 12.582 7.747 -12.190 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.342 7.326 -10.985 1.00 0.00 H new ATOM 0 HG21 VAL A 7 10.051 10.122 -10.932 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.429 9.184 -9.467 1.00 0.00 H new ATOM 0 HG23 VAL A 7 11.073 10.832 -9.659 1.00 0.00 H new ATOM 108 N CYS A 8 13.705 10.336 -7.849 1.00 0.00 N ATOM 109 CA CYS A 8 14.134 11.524 -7.123 1.00 0.00 C ATOM 110 C CYS A 8 15.201 11.198 -6.086 1.00 0.00 C ATOM 111 O CYS A 8 16.006 12.059 -5.726 1.00 0.00 O ATOM 112 CB CYS A 8 12.940 12.191 -6.443 1.00 0.00 C ATOM 113 SG CYS A 8 11.672 12.777 -7.590 1.00 0.00 S ATOM 0 H CYS A 8 13.478 9.535 -7.259 1.00 0.00 H new ATOM 0 HA CYS A 8 14.569 12.210 -7.850 1.00 0.00 H new ATOM 0 HB2 CYS A 8 12.488 11.482 -5.749 1.00 0.00 H new ATOM 0 HB3 CYS A 8 13.297 13.034 -5.851 1.00 0.00 H new ATOM 118 N HIS A 9 15.186 9.956 -5.594 1.00 0.00 N ATOM 119 CA HIS A 9 16.117 9.510 -4.555 1.00 0.00 C ATOM 120 C HIS A 9 15.842 10.263 -3.247 1.00 0.00 C ATOM 121 O HIS A 9 16.658 10.270 -2.325 1.00 0.00 O ATOM 122 CB HIS A 9 17.574 9.695 -5.020 1.00 0.00 C ATOM 123 CG HIS A 9 18.597 9.089 -4.106 1.00 0.00 C ATOM 124 ND1 HIS A 9 19.821 9.671 -3.856 1.00 0.00 N ATOM 125 CD2 HIS A 9 18.572 7.946 -3.381 1.00 0.00 C ATOM 126 CE1 HIS A 9 20.504 8.914 -3.019 1.00 0.00 C ATOM 127 NE2 HIS A 9 19.769 7.862 -2.712 1.00 0.00 N ATOM 0 H HIS A 9 14.533 9.236 -5.902 1.00 0.00 H new ATOM 0 HA HIS A 9 15.965 8.446 -4.371 1.00 0.00 H new ATOM 0 HB2 HIS A 9 17.685 9.256 -6.012 1.00 0.00 H new ATOM 0 HB3 HIS A 9 17.779 10.761 -5.119 1.00 0.00 H new ATOM 0 HD2 HIS A 9 17.762 7.233 -3.337 1.00 0.00 H new ATOM 0 HE1 HIS A 9 21.497 9.120 -2.648 1.00 0.00 H new ATOM 0 HE2 HIS A 9 20.045 7.109 -2.081 1.00 0.00 H new ATOM 136 N HIS A 10 14.669 10.874 -3.169 1.00 0.00 N ATOM 137 CA HIS A 10 14.260 11.598 -1.976 1.00 0.00 C ATOM 138 C HIS A 10 13.405 10.710 -1.089 1.00 0.00 C ATOM 139 O HIS A 10 12.839 9.717 -1.554 1.00 0.00 O ATOM 140 CB HIS A 10 13.492 12.875 -2.340 1.00 0.00 C ATOM 141 CG HIS A 10 14.374 13.995 -2.800 1.00 0.00 C ATOM 142 ND1 HIS A 10 14.159 14.703 -3.963 1.00 0.00 N ATOM 143 CD2 HIS A 10 15.481 14.531 -2.237 1.00 0.00 C ATOM 144 CE1 HIS A 10 15.100 15.623 -4.097 1.00 0.00 C ATOM 145 NE2 HIS A 10 15.913 15.539 -3.062 1.00 0.00 N ATOM 0 H HIS A 10 13.981 10.882 -3.922 1.00 0.00 H new ATOM 0 HA HIS A 10 15.159 11.886 -1.432 1.00 0.00 H new ATOM 0 HB2 HIS A 10 12.772 12.645 -3.125 1.00 0.00 H new ATOM 0 HB3 HIS A 10 12.922 13.206 -1.472 1.00 0.00 H new ATOM 0 HD1 HIS A 10 13.394 14.543 -4.618 1.00 0.00 H new ATOM 0 HD2 HIS A 10 15.940 14.223 -1.309 1.00 0.00 H new ATOM 0 HE1 HIS A 10 15.188 16.323 -4.914 1.00 0.00 H new ATOM 154 N ALA A 11 13.327 11.063 0.181 1.00 0.00 N ATOM 155 CA ALA A 11 12.539 10.308 1.136 1.00 0.00 C ATOM 156 C ALA A 11 11.072 10.673 1.001 1.00 0.00 C ATOM 157 O ALA A 11 10.705 11.844 1.111 1.00 0.00 O ATOM 158 CB ALA A 11 13.027 10.570 2.551 1.00 0.00 C ATOM 0 H ALA A 11 13.804 11.874 0.576 1.00 0.00 H new ATOM 0 HA ALA A 11 12.655 9.245 0.927 1.00 0.00 H new ATOM 0 HB1 ALA A 11 12.425 9.996 3.256 1.00 0.00 H new ATOM 0 HB2 ALA A 11 14.071 10.270 2.637 1.00 0.00 H new ATOM 0 HB3 ALA A 11 12.935 11.632 2.777 1.00 0.00 H new ATOM 164 N LEU A 12 10.239 9.675 0.757 1.00 0.00 N ATOM 165 CA LEU A 12 8.825 9.914 0.544 1.00 0.00 C ATOM 166 C LEU A 12 8.147 10.373 1.824 1.00 0.00 C ATOM 167 O LEU A 12 8.133 9.661 2.830 1.00 0.00 O ATOM 168 CB LEU A 12 8.130 8.667 -0.008 1.00 0.00 C ATOM 169 CG LEU A 12 8.369 8.400 -1.495 1.00 0.00 C ATOM 170 CD1 LEU A 12 7.666 7.124 -1.927 1.00 0.00 C ATOM 171 CD2 LEU A 12 7.888 9.578 -2.327 1.00 0.00 C ATOM 0 H LEU A 12 10.518 8.695 0.702 1.00 0.00 H new ATOM 0 HA LEU A 12 8.737 10.710 -0.195 1.00 0.00 H new ATOM 0 HB2 LEU A 12 8.467 7.800 0.560 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.057 8.762 0.161 1.00 0.00 H new ATOM 0 HG LEU A 12 9.440 8.274 -1.656 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.847 6.950 -2.988 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.051 6.283 -1.350 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.594 7.222 -1.753 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.065 9.374 -3.383 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.822 9.730 -2.160 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.433 10.476 -2.035 1.00 0.00 H new ATOM 183 N GLU A 13 7.605 11.580 1.770 1.00 0.00 N ATOM 184 CA GLU A 13 6.836 12.137 2.866 1.00 0.00 C ATOM 185 C GLU A 13 5.483 11.443 2.930 1.00 0.00 C ATOM 186 O GLU A 13 4.557 11.791 2.197 1.00 0.00 O ATOM 187 CB GLU A 13 6.665 13.643 2.654 1.00 0.00 C ATOM 188 CG GLU A 13 5.870 14.343 3.740 1.00 0.00 C ATOM 189 CD GLU A 13 5.682 15.814 3.440 1.00 0.00 C ATOM 190 OE1 GLU A 13 6.574 16.616 3.801 1.00 0.00 O ATOM 191 OE2 GLU A 13 4.653 16.175 2.829 1.00 0.00 O ATOM 0 H GLU A 13 7.687 12.199 0.964 1.00 0.00 H new ATOM 0 HA GLU A 13 7.357 11.978 3.810 1.00 0.00 H new ATOM 0 HB2 GLU A 13 7.651 14.103 2.589 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.172 13.809 1.696 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.895 13.866 3.842 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.382 14.230 4.696 1.00 0.00 H new ATOM 198 N ARG A 14 5.376 10.431 3.771 1.00 0.00 N ATOM 199 CA ARG A 14 4.170 9.631 3.810 1.00 0.00 C ATOM 200 C ARG A 14 3.274 10.046 4.963 1.00 0.00 C ATOM 201 O ARG A 14 3.739 10.512 6.001 1.00 0.00 O ATOM 202 CB ARG A 14 4.496 8.132 3.894 1.00 0.00 C ATOM 203 CG ARG A 14 5.179 7.701 5.183 1.00 0.00 C ATOM 204 CD ARG A 14 5.300 6.186 5.258 1.00 0.00 C ATOM 205 NE ARG A 14 5.894 5.739 6.515 1.00 0.00 N ATOM 206 CZ ARG A 14 5.308 4.881 7.354 1.00 0.00 C ATOM 207 NH1 ARG A 14 4.090 4.412 7.094 1.00 0.00 N ATOM 208 NH2 ARG A 14 5.941 4.486 8.452 1.00 0.00 N ATOM 0 H ARG A 14 6.102 10.147 4.429 1.00 0.00 H new ATOM 0 HA ARG A 14 3.632 9.808 2.879 1.00 0.00 H new ATOM 0 HB2 ARG A 14 3.571 7.566 3.782 1.00 0.00 H new ATOM 0 HB3 ARG A 14 5.136 7.866 3.053 1.00 0.00 H new ATOM 0 HG2 ARG A 14 6.170 8.152 5.242 1.00 0.00 H new ATOM 0 HG3 ARG A 14 4.612 8.067 6.039 1.00 0.00 H new ATOM 0 HD2 ARG A 14 4.312 5.739 5.146 1.00 0.00 H new ATOM 0 HD3 ARG A 14 5.907 5.831 4.425 1.00 0.00 H new ATOM 0 HE ARG A 14 6.812 6.104 6.767 1.00 0.00 H new ATOM 0 HH11 ARG A 14 3.599 4.708 6.250 1.00 0.00 H new ATOM 0 HH12 ARG A 14 3.647 3.757 7.738 1.00 0.00 H new ATOM 0 HH21 ARG A 14 6.876 4.838 8.656 1.00 0.00 H new ATOM 0 HH22 ARG A 14 5.492 3.831 9.092 1.00 0.00 H new ATOM 222 N ASN A 15 1.981 9.891 4.754 1.00 0.00 N ATOM 223 CA ASN A 15 0.996 10.161 5.788 1.00 0.00 C ATOM 224 C ASN A 15 0.784 8.900 6.606 1.00 0.00 C ATOM 225 O ASN A 15 0.143 8.911 7.654 1.00 0.00 O ATOM 226 CB ASN A 15 -0.330 10.601 5.158 1.00 0.00 C ATOM 227 CG ASN A 15 -0.171 11.771 4.206 1.00 0.00 C ATOM 228 OD1 ASN A 15 0.683 12.639 4.397 1.00 0.00 O ATOM 229 ND2 ASN A 15 -0.980 11.786 3.157 1.00 0.00 N ATOM 0 H ASN A 15 1.584 9.576 3.869 1.00 0.00 H new ATOM 0 HA ASN A 15 1.356 10.964 6.431 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -0.769 9.760 4.622 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -1.029 10.874 5.948 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -0.910 12.536 2.469 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -1.673 11.047 3.037 1.00 0.00 H new ATOM 236 N GLY A 16 1.345 7.811 6.106 1.00 0.00 N ATOM 237 CA GLY A 16 1.175 6.517 6.722 1.00 0.00 C ATOM 238 C GLY A 16 0.684 5.515 5.707 1.00 0.00 C ATOM 239 O GLY A 16 1.351 4.519 5.428 1.00 0.00 O ATOM 0 H GLY A 16 1.926 7.804 5.268 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.121 6.181 7.146 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.464 6.589 7.545 1.00 0.00 H new ATOM 243 N ASP A 17 -0.472 5.812 5.137 1.00 0.00 N ATOM 244 CA ASP A 17 -1.058 4.995 4.082 1.00 0.00 C ATOM 245 C ASP A 17 -0.567 5.442 2.709 1.00 0.00 C ATOM 246 O ASP A 17 -0.161 4.625 1.886 1.00 0.00 O ATOM 247 CB ASP A 17 -2.589 5.067 4.145 1.00 0.00 C ATOM 248 CG ASP A 17 -3.105 6.485 4.325 1.00 0.00 C ATOM 249 OD1 ASP A 17 -3.238 7.218 3.322 1.00 0.00 O ATOM 250 OD2 ASP A 17 -3.365 6.881 5.483 1.00 0.00 O ATOM 0 H ASP A 17 -1.032 6.626 5.391 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.744 3.963 4.237 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.006 4.647 3.230 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.944 4.449 4.970 1.00 0.00 H new ATOM 255 N THR A 18 -0.591 6.742 2.476 1.00 0.00 N ATOM 256 CA THR A 18 -0.175 7.300 1.201 1.00 0.00 C ATOM 257 C THR A 18 1.159 8.029 1.337 1.00 0.00 C ATOM 258 O THR A 18 1.530 8.459 2.431 1.00 0.00 O ATOM 259 CB THR A 18 -1.250 8.264 0.663 1.00 0.00 C ATOM 260 OG1 THR A 18 -1.880 8.952 1.758 1.00 0.00 O ATOM 261 CG2 THR A 18 -2.303 7.518 -0.144 1.00 0.00 C ATOM 0 H THR A 18 -0.897 7.436 3.158 1.00 0.00 H new ATOM 0 HA THR A 18 -0.049 6.479 0.495 1.00 0.00 H new ATOM 0 HB THR A 18 -0.761 8.985 0.007 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.470 8.333 2.237 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.048 8.224 -0.511 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.828 7.020 -0.989 1.00 0.00 H new ATOM 0 HG23 THR A 18 -2.788 6.775 0.489 1.00 0.00 H new ATOM 269 N ALA A 19 1.880 8.153 0.230 1.00 0.00 N ATOM 270 CA ALA A 19 3.195 8.783 0.240 1.00 0.00 C ATOM 271 C ALA A 19 3.246 9.949 -0.738 1.00 0.00 C ATOM 272 O ALA A 19 2.788 9.836 -1.870 1.00 0.00 O ATOM 273 CB ALA A 19 4.269 7.761 -0.099 1.00 0.00 C ATOM 0 H ALA A 19 1.576 7.826 -0.687 1.00 0.00 H new ATOM 0 HA ALA A 19 3.381 9.171 1.241 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.246 8.243 -0.088 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.253 6.958 0.638 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.079 7.348 -1.090 1.00 0.00 H new ATOM 279 N HIS A 20 3.802 11.066 -0.300 1.00 0.00 N ATOM 280 CA HIS A 20 3.887 12.255 -1.134 1.00 0.00 C ATOM 281 C HIS A 20 5.335 12.560 -1.489 1.00 0.00 C ATOM 282 O HIS A 20 6.181 12.699 -0.609 1.00 0.00 O ATOM 283 CB HIS A 20 3.272 13.454 -0.404 1.00 0.00 C ATOM 284 CG HIS A 20 3.214 14.709 -1.224 1.00 0.00 C ATOM 285 ND1 HIS A 20 2.142 15.028 -2.024 1.00 0.00 N ATOM 286 CD2 HIS A 20 4.100 15.729 -1.365 1.00 0.00 C ATOM 287 CE1 HIS A 20 2.363 16.179 -2.622 1.00 0.00 C ATOM 288 NE2 HIS A 20 3.541 16.627 -2.241 1.00 0.00 N ATOM 0 H HIS A 20 4.203 11.175 0.632 1.00 0.00 H new ATOM 0 HA HIS A 20 3.333 12.069 -2.054 1.00 0.00 H new ATOM 0 HB2 HIS A 20 2.262 13.193 -0.087 1.00 0.00 H new ATOM 0 HB3 HIS A 20 3.849 13.650 0.500 1.00 0.00 H new ATOM 0 HD2 HIS A 20 5.061 15.817 -0.880 1.00 0.00 H new ATOM 0 HE1 HIS A 20 1.692 16.673 -3.309 1.00 0.00 H new ATOM 0 HE2 HIS A 20 3.970 17.501 -2.547 1.00 0.00 H new ATOM 297 N CYS A 21 5.618 12.659 -2.777 1.00 0.00 N ATOM 298 CA CYS A 21 6.926 13.108 -3.221 1.00 0.00 C ATOM 299 C CYS A 21 6.889 14.612 -3.441 1.00 0.00 C ATOM 300 O CYS A 21 6.159 15.103 -4.311 1.00 0.00 O ATOM 301 CB CYS A 21 7.348 12.399 -4.508 1.00 0.00 C ATOM 302 SG CYS A 21 8.991 12.874 -5.102 1.00 0.00 S ATOM 0 H CYS A 21 4.965 12.436 -3.528 1.00 0.00 H new ATOM 0 HA CYS A 21 7.659 12.864 -2.452 1.00 0.00 H new ATOM 0 HB2 CYS A 21 7.330 11.322 -4.341 1.00 0.00 H new ATOM 0 HB3 CYS A 21 6.615 12.613 -5.286 1.00 0.00 H new ATOM 0 HG CYS A 21 8.966 12.996 -6.396 1.00 0.00 H new ATOM 307 N GLU A 22 7.656 15.342 -2.644 1.00 0.00 N ATOM 308 CA GLU A 22 7.657 16.797 -2.713 1.00 0.00 C ATOM 309 C GLU A 22 8.312 17.271 -4.007 1.00 0.00 C ATOM 310 O GLU A 22 7.947 18.309 -4.556 1.00 0.00 O ATOM 311 CB GLU A 22 8.354 17.403 -1.482 1.00 0.00 C ATOM 312 CG GLU A 22 9.874 17.270 -1.455 1.00 0.00 C ATOM 313 CD GLU A 22 10.363 15.845 -1.625 1.00 0.00 C ATOM 314 OE1 GLU A 22 9.839 14.948 -0.940 1.00 0.00 O ATOM 315 OE2 GLU A 22 11.252 15.620 -2.473 1.00 0.00 O ATOM 0 H GLU A 22 8.285 14.952 -1.943 1.00 0.00 H new ATOM 0 HA GLU A 22 6.623 17.142 -2.712 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.098 18.461 -1.426 1.00 0.00 H new ATOM 0 HB3 GLU A 22 7.949 16.929 -0.587 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.298 17.887 -2.247 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.248 17.663 -0.509 1.00 0.00 H new ATOM 322 N THR A 23 9.261 16.488 -4.504 1.00 0.00 N ATOM 323 CA THR A 23 9.904 16.778 -5.772 1.00 0.00 C ATOM 324 C THR A 23 9.220 16.010 -6.901 1.00 0.00 C ATOM 325 O THR A 23 9.847 15.212 -7.610 1.00 0.00 O ATOM 326 CB THR A 23 11.407 16.446 -5.724 1.00 0.00 C ATOM 327 OG1 THR A 23 11.618 15.201 -5.037 1.00 0.00 O ATOM 328 CG2 THR A 23 12.182 17.556 -5.030 1.00 0.00 C ATOM 0 H THR A 23 9.601 15.644 -4.043 1.00 0.00 H new ATOM 0 HA THR A 23 9.805 17.846 -5.965 1.00 0.00 H new ATOM 0 HB THR A 23 11.770 16.356 -6.748 1.00 0.00 H new ATOM 0 HG1 THR A 23 11.867 15.379 -4.106 1.00 0.00 H new ATOM 0 HG21 THR A 23 13.241 17.301 -5.007 1.00 0.00 H new ATOM 0 HG22 THR A 23 12.045 18.490 -5.574 1.00 0.00 H new ATOM 0 HG23 THR A 23 11.815 17.673 -4.010 1.00 0.00 H new ATOM 336 N CYS A 24 7.923 16.266 -7.045 1.00 0.00 N ATOM 337 CA CYS A 24 7.069 15.606 -8.032 1.00 0.00 C ATOM 338 C CYS A 24 5.663 16.186 -7.975 1.00 0.00 C ATOM 339 O CYS A 24 4.993 16.297 -9.004 1.00 0.00 O ATOM 340 CB CYS A 24 6.978 14.091 -7.795 1.00 0.00 C ATOM 341 SG CYS A 24 8.256 13.105 -8.615 1.00 0.00 S ATOM 0 H CYS A 24 7.427 16.948 -6.471 1.00 0.00 H new ATOM 0 HA CYS A 24 7.519 15.780 -9.009 1.00 0.00 H new ATOM 0 HB2 CYS A 24 7.029 13.903 -6.722 1.00 0.00 H new ATOM 0 HB3 CYS A 24 6.001 13.744 -8.133 1.00 0.00 H new ATOM 0 HG CYS A 24 9.422 13.637 -8.395 1.00 0.00 H new ATOM 346 N ALA A 25 5.227 16.540 -6.757 1.00 0.00 N ATOM 347 CA ALA A 25 3.847 16.973 -6.505 1.00 0.00 C ATOM 348 C ALA A 25 2.895 15.811 -6.760 1.00 0.00 C ATOM 349 O ALA A 25 1.696 15.991 -6.983 1.00 0.00 O ATOM 350 CB ALA A 25 3.484 18.182 -7.359 1.00 0.00 C ATOM 0 H ALA A 25 5.817 16.534 -5.925 1.00 0.00 H new ATOM 0 HA ALA A 25 3.758 17.279 -5.463 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.456 18.479 -7.150 1.00 0.00 H new ATOM 0 HB2 ALA A 25 4.156 19.008 -7.125 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.580 17.924 -8.414 1.00 0.00 H new ATOM 356 N LYS A 26 3.453 14.611 -6.690 1.00 0.00 N ATOM 357 CA LYS A 26 2.725 13.392 -6.986 1.00 0.00 C ATOM 358 C LYS A 26 2.505 12.598 -5.706 1.00 0.00 C ATOM 359 O LYS A 26 3.453 12.326 -4.962 1.00 0.00 O ATOM 360 CB LYS A 26 3.508 12.556 -8.007 1.00 0.00 C ATOM 361 CG LYS A 26 2.805 11.286 -8.464 1.00 0.00 C ATOM 362 CD LYS A 26 3.679 10.494 -9.426 1.00 0.00 C ATOM 363 CE LYS A 26 3.005 9.209 -9.889 1.00 0.00 C ATOM 364 NZ LYS A 26 1.817 9.471 -10.745 1.00 0.00 N ATOM 0 H LYS A 26 4.426 14.458 -6.425 1.00 0.00 H new ATOM 0 HA LYS A 26 1.754 13.645 -7.411 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.715 13.175 -8.880 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.471 12.286 -7.573 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.560 10.670 -7.599 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.863 11.542 -8.950 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.915 11.112 -10.293 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.624 10.252 -8.940 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.723 8.604 -10.443 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.702 8.627 -9.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 1.453 8.571 -11.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.078 9.936 -10.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.089 10.089 -11.536 1.00 0.00 H new ATOM 378 N ASP A 27 1.256 12.248 -5.446 1.00 0.00 N ATOM 379 CA ASP A 27 0.915 11.425 -4.297 1.00 0.00 C ATOM 380 C ASP A 27 0.726 9.988 -4.738 1.00 0.00 C ATOM 381 O ASP A 27 0.012 9.713 -5.705 1.00 0.00 O ATOM 382 CB ASP A 27 -0.363 11.926 -3.613 1.00 0.00 C ATOM 383 CG ASP A 27 -0.144 13.194 -2.819 1.00 0.00 C ATOM 384 OD1 ASP A 27 0.236 13.107 -1.632 1.00 0.00 O ATOM 385 OD2 ASP A 27 -0.341 14.296 -3.369 1.00 0.00 O ATOM 0 H ASP A 27 0.458 12.523 -6.018 1.00 0.00 H new ATOM 0 HA ASP A 27 1.733 11.488 -3.579 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.128 12.103 -4.369 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.744 11.149 -2.950 1.00 0.00 H new ATOM 390 N PHE A 28 1.374 9.079 -4.034 1.00 0.00 N ATOM 391 CA PHE A 28 1.314 7.666 -4.357 1.00 0.00 C ATOM 392 C PHE A 28 0.300 6.969 -3.470 1.00 0.00 C ATOM 393 O PHE A 28 0.330 7.111 -2.244 1.00 0.00 O ATOM 394 CB PHE A 28 2.688 7.009 -4.182 1.00 0.00 C ATOM 395 CG PHE A 28 3.754 7.547 -5.099 1.00 0.00 C ATOM 396 CD1 PHE A 28 3.912 7.031 -6.375 1.00 0.00 C ATOM 397 CD2 PHE A 28 4.605 8.558 -4.679 1.00 0.00 C ATOM 398 CE1 PHE A 28 4.896 7.515 -7.216 1.00 0.00 C ATOM 399 CE2 PHE A 28 5.590 9.048 -5.516 1.00 0.00 C ATOM 400 CZ PHE A 28 5.736 8.524 -6.786 1.00 0.00 C ATOM 0 H PHE A 28 1.955 9.298 -3.225 1.00 0.00 H new ATOM 0 HA PHE A 28 1.010 7.569 -5.399 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.012 7.142 -3.150 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.589 5.937 -4.349 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.259 6.242 -6.716 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.497 8.968 -3.686 1.00 0.00 H new ATOM 0 HE1 PHE A 28 5.008 7.105 -8.209 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.244 9.838 -5.178 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.506 8.903 -7.442 1.00 0.00 H new ATOM 410 N SER A 29 -0.602 6.238 -4.096 1.00 0.00 N ATOM 411 CA SER A 29 -1.611 5.484 -3.382 1.00 0.00 C ATOM 412 C SER A 29 -1.182 4.025 -3.292 1.00 0.00 C ATOM 413 O SER A 29 -1.079 3.334 -4.309 1.00 0.00 O ATOM 414 CB SER A 29 -2.958 5.616 -4.098 1.00 0.00 C ATOM 415 OG SER A 29 -4.019 5.083 -3.322 1.00 0.00 O ATOM 0 H SER A 29 -0.655 6.151 -5.111 1.00 0.00 H new ATOM 0 HA SER A 29 -1.722 5.877 -2.371 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.155 6.667 -4.311 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.913 5.099 -5.057 1.00 0.00 H new ATOM 0 HG SER A 29 -4.864 5.186 -3.808 1.00 0.00 H new ATOM 421 N LEU A 30 -0.899 3.573 -2.081 1.00 0.00 N ATOM 422 CA LEU A 30 -0.409 2.222 -1.868 1.00 0.00 C ATOM 423 C LEU A 30 -1.523 1.331 -1.340 1.00 0.00 C ATOM 424 O LEU A 30 -2.557 1.821 -0.884 1.00 0.00 O ATOM 425 CB LEU A 30 0.769 2.213 -0.884 1.00 0.00 C ATOM 426 CG LEU A 30 1.989 3.049 -1.289 1.00 0.00 C ATOM 427 CD1 LEU A 30 1.806 4.509 -0.909 1.00 0.00 C ATOM 428 CD2 LEU A 30 3.250 2.488 -0.656 1.00 0.00 C ATOM 0 H LEU A 30 -1.001 4.124 -1.229 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.064 1.836 -2.828 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.413 2.571 0.082 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.091 1.181 -0.743 1.00 0.00 H new ATOM 0 HG LEU A 30 2.089 2.995 -2.373 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.687 5.076 -1.209 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.927 4.909 -1.415 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.672 4.590 0.170 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.107 3.093 -0.954 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.152 2.507 0.429 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.398 1.461 -0.989 1.00 0.00 H new ATOM 440 N GLN A 31 -1.311 0.026 -1.397 1.00 0.00 N ATOM 441 CA GLN A 31 -2.275 -0.920 -0.862 1.00 0.00 C ATOM 442 C GLN A 31 -1.696 -1.605 0.363 1.00 0.00 C ATOM 443 O GLN A 31 -0.500 -1.896 0.411 1.00 0.00 O ATOM 444 CB GLN A 31 -2.658 -1.974 -1.906 1.00 0.00 C ATOM 445 CG GLN A 31 -3.217 -1.393 -3.193 1.00 0.00 C ATOM 446 CD GLN A 31 -3.807 -2.450 -4.105 1.00 0.00 C ATOM 447 OE1 GLN A 31 -3.110 -3.037 -4.931 1.00 0.00 O ATOM 448 NE2 GLN A 31 -5.103 -2.690 -3.973 1.00 0.00 N ATOM 0 H GLN A 31 -0.481 -0.401 -1.808 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.174 -0.368 -0.587 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -1.779 -2.573 -2.142 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -3.397 -2.648 -1.473 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -3.985 -0.658 -2.951 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -2.424 -0.864 -3.722 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.647 -2.182 -3.276 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -5.557 -3.383 -4.569 1.00 0.00 H new ATOM 457 N ALA A 32 -2.541 -1.841 1.352 1.00 0.00 N ATOM 458 CA ALA A 32 -2.124 -2.528 2.560 1.00 0.00 C ATOM 459 C ALA A 32 -2.144 -4.032 2.338 1.00 0.00 C ATOM 460 O ALA A 32 -3.190 -4.669 2.436 1.00 0.00 O ATOM 461 CB ALA A 32 -3.026 -2.143 3.729 1.00 0.00 C ATOM 0 H ALA A 32 -3.523 -1.565 1.341 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.105 -2.227 2.803 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.700 -2.667 4.628 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.968 -1.067 3.895 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.055 -2.420 3.501 1.00 0.00 H new ATOM 467 N LEU A 33 -0.998 -4.593 2.001 1.00 0.00 N ATOM 468 CA LEU A 33 -0.905 -6.020 1.755 1.00 0.00 C ATOM 469 C LEU A 33 -0.400 -6.732 3.006 1.00 0.00 C ATOM 470 O LEU A 33 0.230 -6.119 3.865 1.00 0.00 O ATOM 471 CB LEU A 33 0.030 -6.291 0.574 1.00 0.00 C ATOM 472 CG LEU A 33 -0.223 -7.604 -0.167 1.00 0.00 C ATOM 473 CD1 LEU A 33 -1.594 -7.584 -0.827 1.00 0.00 C ATOM 474 CD2 LEU A 33 0.860 -7.848 -1.206 1.00 0.00 C ATOM 0 H LEU A 33 -0.121 -4.084 1.892 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.895 -6.403 1.509 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.059 -5.469 -0.136 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.058 -6.289 0.937 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.196 -8.419 0.557 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.760 -8.526 -1.351 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.363 -7.452 -0.065 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.643 -6.760 -1.538 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.663 -8.787 -1.723 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.863 -7.030 -1.927 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.831 -7.902 -0.714 1.00 0.00 H new ATOM 486 N CYS A 34 -0.686 -8.018 3.116 1.00 0.00 N ATOM 487 CA CYS A 34 -0.222 -8.794 4.253 1.00 0.00 C ATOM 488 C CYS A 34 1.032 -9.579 3.877 1.00 0.00 C ATOM 489 O CYS A 34 0.965 -10.549 3.125 1.00 0.00 O ATOM 490 CB CYS A 34 -1.335 -9.720 4.757 1.00 0.00 C ATOM 491 SG CYS A 34 -2.274 -10.565 3.454 1.00 0.00 S ATOM 0 H CYS A 34 -1.234 -8.545 2.436 1.00 0.00 H new ATOM 0 HA CYS A 34 0.038 -8.116 5.066 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.894 -10.471 5.412 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -2.027 -9.136 5.363 1.00 0.00 H new ATOM 496 N PRO A 35 2.188 -9.163 4.423 1.00 0.00 N ATOM 497 CA PRO A 35 3.509 -9.683 4.025 1.00 0.00 C ATOM 498 C PRO A 35 3.715 -11.165 4.336 1.00 0.00 C ATOM 499 O PRO A 35 4.401 -11.872 3.596 1.00 0.00 O ATOM 500 CB PRO A 35 4.490 -8.828 4.835 1.00 0.00 C ATOM 501 CG PRO A 35 3.696 -8.310 5.984 1.00 0.00 C ATOM 502 CD PRO A 35 2.298 -8.136 5.474 1.00 0.00 C ATOM 0 HA PRO A 35 3.640 -9.619 2.945 1.00 0.00 H new ATOM 0 HB2 PRO A 35 5.339 -9.420 5.177 1.00 0.00 H new ATOM 0 HB3 PRO A 35 4.892 -8.012 4.234 1.00 0.00 H new ATOM 0 HG2 PRO A 35 3.722 -9.007 6.822 1.00 0.00 H new ATOM 0 HG3 PRO A 35 4.101 -7.364 6.343 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.561 -8.287 6.263 1.00 0.00 H new ATOM 0 HD3 PRO A 35 2.137 -7.134 5.075 1.00 0.00 H new ATOM 510 N ASP A 36 3.132 -11.634 5.430 1.00 0.00 N ATOM 511 CA ASP A 36 3.277 -13.031 5.824 1.00 0.00 C ATOM 512 C ASP A 36 2.490 -13.948 4.890 1.00 0.00 C ATOM 513 O ASP A 36 3.017 -14.931 4.367 1.00 0.00 O ATOM 514 CB ASP A 36 2.812 -13.229 7.265 1.00 0.00 C ATOM 515 CG ASP A 36 2.872 -14.682 7.691 1.00 0.00 C ATOM 516 OD1 ASP A 36 3.954 -15.139 8.112 1.00 0.00 O ATOM 517 OD2 ASP A 36 1.836 -15.369 7.604 1.00 0.00 O ATOM 0 H ASP A 36 2.557 -11.073 6.058 1.00 0.00 H new ATOM 0 HA ASP A 36 4.333 -13.292 5.753 1.00 0.00 H new ATOM 0 HB2 ASP A 36 3.434 -12.631 7.931 1.00 0.00 H new ATOM 0 HB3 ASP A 36 1.790 -12.864 7.369 1.00 0.00 H new ATOM 522 N CYS A 37 1.223 -13.622 4.688 1.00 0.00 N ATOM 523 CA CYS A 37 0.363 -14.391 3.798 1.00 0.00 C ATOM 524 C CYS A 37 -0.087 -13.517 2.631 1.00 0.00 C ATOM 525 O CYS A 37 -1.204 -12.958 2.664 1.00 0.00 O ATOM 526 CB CYS A 37 -0.854 -14.902 4.573 1.00 0.00 C ATOM 527 SG CYS A 37 -1.840 -13.577 5.333 1.00 0.00 S ATOM 0 H CYS A 37 0.764 -12.826 5.130 1.00 0.00 H new ATOM 0 HA CYS A 37 0.918 -15.243 3.406 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.490 -15.475 3.898 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.517 -15.586 5.352 1.00 0.00 H new ATOM 532 N ARG A 38 0.773 -13.396 1.618 1.00 0.00 N ATOM 533 CA ARG A 38 0.591 -12.414 0.546 1.00 0.00 C ATOM 534 C ARG A 38 -0.464 -12.850 -0.462 1.00 0.00 C ATOM 535 O ARG A 38 -0.162 -13.499 -1.460 1.00 0.00 O ATOM 536 CB ARG A 38 1.914 -12.138 -0.176 1.00 0.00 C ATOM 537 CG ARG A 38 3.029 -11.707 0.756 1.00 0.00 C ATOM 538 CD ARG A 38 4.292 -11.334 0.001 1.00 0.00 C ATOM 539 NE ARG A 38 5.440 -11.237 0.900 1.00 0.00 N ATOM 540 CZ ARG A 38 6.374 -10.286 0.834 1.00 0.00 C ATOM 541 NH1 ARG A 38 6.262 -9.290 -0.037 1.00 0.00 N ATOM 542 NH2 ARG A 38 7.416 -10.327 1.659 1.00 0.00 N ATOM 0 H ARG A 38 1.609 -13.971 1.517 1.00 0.00 H new ATOM 0 HA ARG A 38 0.243 -11.497 1.020 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.223 -13.037 -0.709 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.756 -11.362 -0.925 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.696 -10.855 1.349 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.250 -12.514 1.454 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.492 -12.080 -0.768 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.145 -10.382 -0.509 1.00 0.00 H new ATOM 0 HE ARG A 38 5.534 -11.945 1.628 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.457 -9.248 -0.662 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.981 -8.567 -0.081 1.00 0.00 H new ATOM 0 HH21 ARG A 38 7.499 -11.083 2.339 1.00 0.00 H new ATOM 0 HH22 ARG A 38 8.132 -9.602 1.612 1.00 0.00 H new ATOM 556 N GLN A 39 -1.701 -12.488 -0.161 1.00 0.00 N ATOM 557 CA GLN A 39 -2.849 -12.710 -1.034 1.00 0.00 C ATOM 558 C GLN A 39 -3.870 -11.636 -0.683 1.00 0.00 C ATOM 559 O GLN A 39 -3.799 -11.088 0.424 1.00 0.00 O ATOM 560 CB GLN A 39 -3.465 -14.110 -0.831 1.00 0.00 C ATOM 561 CG GLN A 39 -2.506 -15.267 -1.075 1.00 0.00 C ATOM 562 CD GLN A 39 -3.120 -16.625 -0.797 1.00 0.00 C ATOM 563 OE1 GLN A 39 -4.407 -16.773 -1.073 1.00 0.00 O flip ATOM 564 NE2 GLN A 39 -2.433 -17.548 -0.360 1.00 0.00 N flip ATOM 0 H GLN A 39 -1.943 -12.022 0.714 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.541 -12.656 -2.078 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -3.846 -14.180 0.188 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.319 -14.217 -1.499 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.165 -15.235 -2.110 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -1.625 -15.139 -0.446 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -1.444 -17.397 -0.159 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -2.852 -18.464 -0.199 1.00 0.00 H new ATOM 573 N PRO A 40 -4.805 -11.306 -1.592 1.00 0.00 N ATOM 574 CA PRO A 40 -5.822 -10.268 -1.359 1.00 0.00 C ATOM 575 C PRO A 40 -6.460 -10.354 0.027 1.00 0.00 C ATOM 576 O PRO A 40 -6.990 -11.398 0.422 1.00 0.00 O ATOM 577 CB PRO A 40 -6.856 -10.550 -2.445 1.00 0.00 C ATOM 578 CG PRO A 40 -6.062 -11.120 -3.567 1.00 0.00 C ATOM 579 CD PRO A 40 -4.946 -11.909 -2.932 1.00 0.00 C ATOM 0 HA PRO A 40 -5.394 -9.266 -1.398 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -7.616 -11.251 -2.099 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -7.375 -9.640 -2.746 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.681 -11.759 -4.197 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -5.666 -10.330 -4.205 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -5.191 -12.969 -2.870 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.023 -11.829 -3.506 1.00 0.00 H new ATOM 587 N LEU A 41 -6.390 -9.254 0.766 1.00 0.00 N ATOM 588 CA LEU A 41 -6.921 -9.200 2.120 1.00 0.00 C ATOM 589 C LEU A 41 -8.431 -8.980 2.090 1.00 0.00 C ATOM 590 O LEU A 41 -9.038 -8.902 1.021 1.00 0.00 O ATOM 591 CB LEU A 41 -6.247 -8.085 2.939 1.00 0.00 C ATOM 592 CG LEU A 41 -4.732 -8.223 3.148 1.00 0.00 C ATOM 593 CD1 LEU A 41 -3.967 -7.806 1.903 1.00 0.00 C ATOM 594 CD2 LEU A 41 -4.272 -7.405 4.348 1.00 0.00 C ATOM 0 H LEU A 41 -5.967 -8.382 0.447 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.707 -10.155 2.600 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.440 -7.132 2.446 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.726 -8.040 3.917 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.521 -9.274 3.344 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.897 -7.914 2.080 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.262 -8.439 1.066 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.193 -6.766 1.669 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.195 -7.519 4.475 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.508 -6.354 4.184 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.783 -7.756 5.245 1.00 0.00 H new ATOM 606 N GLN A 42 -9.027 -8.882 3.263 1.00 0.00 N ATOM 607 CA GLN A 42 -10.457 -8.675 3.376 1.00 0.00 C ATOM 608 C GLN A 42 -10.749 -7.180 3.422 1.00 0.00 C ATOM 609 O GLN A 42 -10.151 -6.447 4.211 1.00 0.00 O ATOM 610 CB GLN A 42 -10.975 -9.386 4.627 1.00 0.00 C ATOM 611 CG GLN A 42 -12.455 -9.195 4.900 1.00 0.00 C ATOM 612 CD GLN A 42 -12.904 -9.973 6.121 1.00 0.00 C ATOM 613 OE1 GLN A 42 -12.117 -10.222 7.034 1.00 0.00 O ATOM 614 NE2 GLN A 42 -14.166 -10.364 6.148 1.00 0.00 N ATOM 0 H GLN A 42 -8.539 -8.943 4.156 1.00 0.00 H new ATOM 0 HA GLN A 42 -10.970 -9.094 2.510 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -10.772 -10.453 4.532 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.412 -9.030 5.490 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -12.664 -8.135 5.046 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -13.030 -9.517 4.032 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -14.787 -10.137 5.371 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -14.519 -10.892 6.946 1.00 0.00 H new ATOM 623 N VAL A 43 -11.639 -6.729 2.551 1.00 0.00 N ATOM 624 CA VAL A 43 -11.939 -5.310 2.441 1.00 0.00 C ATOM 625 C VAL A 43 -12.907 -4.879 3.531 1.00 0.00 C ATOM 626 O VAL A 43 -14.108 -5.150 3.461 1.00 0.00 O ATOM 627 CB VAL A 43 -12.526 -4.954 1.057 1.00 0.00 C ATOM 628 CG1 VAL A 43 -12.761 -3.453 0.943 1.00 0.00 C ATOM 629 CG2 VAL A 43 -11.608 -5.440 -0.056 1.00 0.00 C ATOM 0 H VAL A 43 -12.165 -7.324 1.911 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.998 -4.774 2.561 1.00 0.00 H new ATOM 0 HB VAL A 43 -13.486 -5.459 0.953 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -13.175 -3.223 -0.039 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -13.461 -3.135 1.715 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -11.816 -2.926 1.071 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -12.039 -5.180 -1.023 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.631 -4.967 0.045 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -11.496 -6.522 0.012 1.00 0.00 H new ATOM 639 N LEU A 44 -12.372 -4.223 4.544 1.00 0.00 N ATOM 640 CA LEU A 44 -13.176 -3.708 5.633 1.00 0.00 C ATOM 641 C LEU A 44 -13.542 -2.257 5.352 1.00 0.00 C ATOM 642 O LEU A 44 -12.749 -1.342 5.585 1.00 0.00 O ATOM 643 CB LEU A 44 -12.420 -3.833 6.958 1.00 0.00 C ATOM 644 CG LEU A 44 -11.997 -5.259 7.331 1.00 0.00 C ATOM 645 CD1 LEU A 44 -11.272 -5.268 8.666 1.00 0.00 C ATOM 646 CD2 LEU A 44 -13.203 -6.185 7.376 1.00 0.00 C ATOM 0 H LEU A 44 -11.374 -4.034 4.634 1.00 0.00 H new ATOM 0 HA LEU A 44 -14.093 -4.292 5.713 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -11.529 -3.206 6.911 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -13.048 -3.436 7.756 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.314 -5.623 6.563 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -10.979 -6.288 8.914 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -10.383 -4.641 8.601 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.933 -4.881 9.442 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -12.879 -7.191 7.643 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -13.912 -5.823 8.120 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -13.683 -6.205 6.397 1.00 0.00 H new ATOM 658 N LYS A 45 -14.738 -2.060 4.818 1.00 0.00 N ATOM 659 CA LYS A 45 -15.185 -0.739 4.405 1.00 0.00 C ATOM 660 C LYS A 45 -15.746 0.064 5.573 1.00 0.00 C ATOM 661 O LYS A 45 -16.549 -0.431 6.363 1.00 0.00 O ATOM 662 CB LYS A 45 -16.241 -0.855 3.300 1.00 0.00 C ATOM 663 CG LYS A 45 -17.382 -1.803 3.638 1.00 0.00 C ATOM 664 CD LYS A 45 -18.477 -1.768 2.585 1.00 0.00 C ATOM 665 CE LYS A 45 -17.942 -2.085 1.198 1.00 0.00 C ATOM 666 NZ LYS A 45 -19.028 -2.122 0.187 1.00 0.00 N ATOM 0 H LYS A 45 -15.419 -2.803 4.660 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.314 -0.208 4.022 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -16.651 0.134 3.097 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -15.758 -1.194 2.383 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -16.996 -2.819 3.727 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -17.802 -1.535 4.608 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -19.255 -2.485 2.846 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -18.942 -0.782 2.578 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -17.204 -1.335 0.912 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -17.429 -3.047 1.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -18.626 -2.341 -0.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -19.719 -2.854 0.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -19.501 -1.197 0.152 1.00 0.00 H new ATOM 680 N ALA A 46 -15.293 1.301 5.677 1.00 0.00 N ATOM 681 CA ALA A 46 -15.846 2.256 6.619 1.00 0.00 C ATOM 682 C ALA A 46 -16.354 3.465 5.845 1.00 0.00 C ATOM 683 O ALA A 46 -16.439 3.419 4.614 1.00 0.00 O ATOM 684 CB ALA A 46 -14.795 2.665 7.645 1.00 0.00 C ATOM 0 H ALA A 46 -14.530 1.671 5.110 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.674 1.802 7.163 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -15.228 3.382 8.343 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.458 1.784 8.191 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.947 3.122 7.135 1.00 0.00 H new ATOM 690 N CYS A 47 -16.698 4.536 6.536 1.00 0.00 N ATOM 691 CA CYS A 47 -17.167 5.737 5.865 1.00 0.00 C ATOM 692 C CYS A 47 -15.991 6.493 5.247 1.00 0.00 C ATOM 693 O CYS A 47 -15.378 7.349 5.887 1.00 0.00 O ATOM 694 CB CYS A 47 -17.932 6.640 6.834 1.00 0.00 C ATOM 695 SG CYS A 47 -18.865 7.962 6.026 1.00 0.00 S ATOM 0 H CYS A 47 -16.663 4.601 7.553 1.00 0.00 H new ATOM 0 HA CYS A 47 -17.849 5.439 5.069 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -18.620 6.029 7.418 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -17.226 7.084 7.535 1.00 0.00 H new ATOM 0 HG CYS A 47 -19.480 8.671 6.925 1.00 0.00 H new ATOM 701 N GLY A 48 -15.657 6.135 4.012 1.00 0.00 N ATOM 702 CA GLY A 48 -14.569 6.785 3.308 1.00 0.00 C ATOM 703 C GLY A 48 -13.302 5.954 3.321 1.00 0.00 C ATOM 704 O GLY A 48 -12.592 5.865 2.317 1.00 0.00 O ATOM 0 H GLY A 48 -16.126 5.400 3.483 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -14.867 6.974 2.277 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -14.370 7.754 3.765 1.00 0.00 H new ATOM 708 N ALA A 49 -13.027 5.331 4.455 1.00 0.00 N ATOM 709 CA ALA A 49 -11.832 4.518 4.608 1.00 0.00 C ATOM 710 C ALA A 49 -12.091 3.079 4.184 1.00 0.00 C ATOM 711 O ALA A 49 -13.090 2.475 4.573 1.00 0.00 O ATOM 712 CB ALA A 49 -11.342 4.562 6.048 1.00 0.00 C ATOM 0 H ALA A 49 -13.617 5.373 5.286 1.00 0.00 H new ATOM 0 HA ALA A 49 -11.059 4.930 3.959 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -10.447 3.948 6.147 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -11.109 5.591 6.322 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -12.119 4.178 6.709 1.00 0.00 H new ATOM 718 N VAL A 50 -11.199 2.543 3.367 1.00 0.00 N ATOM 719 CA VAL A 50 -11.265 1.144 2.978 1.00 0.00 C ATOM 720 C VAL A 50 -10.012 0.411 3.446 1.00 0.00 C ATOM 721 O VAL A 50 -8.919 0.607 2.914 1.00 0.00 O ATOM 722 CB VAL A 50 -11.455 0.968 1.451 1.00 0.00 C ATOM 723 CG1 VAL A 50 -12.878 1.321 1.048 1.00 0.00 C ATOM 724 CG2 VAL A 50 -10.465 1.818 0.666 1.00 0.00 C ATOM 0 H VAL A 50 -10.418 3.058 2.959 1.00 0.00 H new ATOM 0 HA VAL A 50 -12.140 0.711 3.462 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.266 -0.079 1.213 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -12.994 1.192 -0.028 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -13.577 0.667 1.569 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -13.085 2.358 1.313 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -10.626 1.671 -0.402 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -10.612 2.869 0.914 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -9.448 1.523 0.924 1.00 0.00 H new ATOM 734 N ASP A 51 -10.169 -0.415 4.465 1.00 0.00 N ATOM 735 CA ASP A 51 -9.037 -1.105 5.063 1.00 0.00 C ATOM 736 C ASP A 51 -8.850 -2.482 4.452 1.00 0.00 C ATOM 737 O ASP A 51 -9.806 -3.247 4.308 1.00 0.00 O ATOM 738 CB ASP A 51 -9.220 -1.248 6.577 1.00 0.00 C ATOM 739 CG ASP A 51 -9.056 0.057 7.330 1.00 0.00 C ATOM 740 OD1 ASP A 51 -9.979 0.895 7.288 1.00 0.00 O ATOM 741 OD2 ASP A 51 -8.013 0.236 7.999 1.00 0.00 O ATOM 0 H ASP A 51 -11.069 -0.625 4.897 1.00 0.00 H new ATOM 0 HA ASP A 51 -8.151 -0.503 4.863 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.212 -1.653 6.779 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.497 -1.971 6.956 1.00 0.00 H new ATOM 746 N TYR A 52 -7.621 -2.791 4.077 1.00 0.00 N ATOM 747 CA TYR A 52 -7.269 -4.140 3.680 1.00 0.00 C ATOM 748 C TYR A 52 -6.816 -4.902 4.912 1.00 0.00 C ATOM 749 O TYR A 52 -5.717 -4.679 5.418 1.00 0.00 O ATOM 750 CB TYR A 52 -6.155 -4.148 2.633 1.00 0.00 C ATOM 751 CG TYR A 52 -6.512 -3.497 1.320 1.00 0.00 C ATOM 752 CD1 TYR A 52 -7.289 -4.164 0.383 1.00 0.00 C ATOM 753 CD2 TYR A 52 -6.051 -2.226 1.007 1.00 0.00 C ATOM 754 CE1 TYR A 52 -7.602 -3.579 -0.829 1.00 0.00 C ATOM 755 CE2 TYR A 52 -6.357 -1.636 -0.203 1.00 0.00 C ATOM 756 CZ TYR A 52 -7.131 -2.316 -1.117 1.00 0.00 C ATOM 757 OH TYR A 52 -7.428 -1.734 -2.328 1.00 0.00 O ATOM 0 H TYR A 52 -6.850 -2.124 4.040 1.00 0.00 H new ATOM 0 HA TYR A 52 -8.144 -4.612 3.233 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.283 -3.642 3.048 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -5.863 -5.181 2.442 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -7.655 -5.156 0.605 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -5.443 -1.690 1.721 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -8.212 -4.108 -1.546 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -5.991 -0.646 -0.432 1.00 0.00 H new ATOM 0 HH TYR A 52 -7.021 -0.844 -2.372 1.00 0.00 H new ATOM 767 N PHE A 53 -7.669 -5.771 5.412 1.00 0.00 N ATOM 768 CA PHE A 53 -7.389 -6.471 6.651 1.00 0.00 C ATOM 769 C PHE A 53 -8.032 -7.848 6.625 1.00 0.00 C ATOM 770 O PHE A 53 -9.250 -7.976 6.748 1.00 0.00 O ATOM 771 CB PHE A 53 -7.928 -5.638 7.815 1.00 0.00 C ATOM 772 CG PHE A 53 -7.375 -6.008 9.157 1.00 0.00 C ATOM 773 CD1 PHE A 53 -6.186 -5.452 9.596 1.00 0.00 C ATOM 774 CD2 PHE A 53 -8.045 -6.892 9.983 1.00 0.00 C ATOM 775 CE1 PHE A 53 -5.675 -5.774 10.836 1.00 0.00 C ATOM 776 CE2 PHE A 53 -7.540 -7.217 11.225 1.00 0.00 C ATOM 777 CZ PHE A 53 -6.353 -6.657 11.652 1.00 0.00 C ATOM 0 H PHE A 53 -8.562 -6.011 4.981 1.00 0.00 H new ATOM 0 HA PHE A 53 -6.314 -6.606 6.773 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -7.710 -4.587 7.624 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.013 -5.738 7.844 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -5.653 -4.759 8.961 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -8.974 -7.333 9.652 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -4.745 -5.336 11.168 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -8.072 -7.908 11.862 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.955 -6.909 12.624 1.00 0.00 H new ATOM 787 N CYS A 54 -7.214 -8.877 6.444 1.00 0.00 N ATOM 788 CA CYS A 54 -7.720 -10.228 6.347 1.00 0.00 C ATOM 789 C CYS A 54 -8.045 -10.781 7.732 1.00 0.00 C ATOM 790 O CYS A 54 -7.175 -11.282 8.436 1.00 0.00 O ATOM 791 CB CYS A 54 -6.729 -11.125 5.586 1.00 0.00 C ATOM 792 SG CYS A 54 -4.968 -10.804 5.902 1.00 0.00 S ATOM 0 H CYS A 54 -6.201 -8.796 6.362 1.00 0.00 H new ATOM 0 HA CYS A 54 -8.649 -10.215 5.777 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -6.941 -12.164 5.839 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -6.913 -11.013 4.518 1.00 0.00 H new ATOM 0 HG CYS A 54 -4.309 -10.857 4.782 1.00 0.00 H new ATOM 797 N GLN A 55 -9.308 -10.650 8.122 1.00 0.00 N ATOM 798 CA GLN A 55 -9.756 -11.089 9.434 1.00 0.00 C ATOM 799 C GLN A 55 -10.357 -12.489 9.368 1.00 0.00 C ATOM 800 O GLN A 55 -9.883 -13.405 10.041 1.00 0.00 O ATOM 801 CB GLN A 55 -10.779 -10.094 9.998 1.00 0.00 C ATOM 802 CG GLN A 55 -11.403 -10.527 11.315 1.00 0.00 C ATOM 803 CD GLN A 55 -10.388 -10.696 12.431 1.00 0.00 C ATOM 804 OE1 GLN A 55 -9.337 -9.890 12.413 1.00 0.00 O flip ATOM 805 NE2 GLN A 55 -10.562 -11.533 13.314 1.00 0.00 N flip ATOM 0 H GLN A 55 -10.041 -10.241 7.543 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.892 -11.126 10.097 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -10.292 -9.129 10.139 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -11.571 -9.948 9.263 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -12.146 -9.789 11.617 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -11.931 -11.469 11.167 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -11.385 -12.135 13.291 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -9.883 -11.626 14.070 1.00 0.00 H new ATOM 814 N ASN A 56 -11.388 -12.658 8.543 1.00 0.00 N ATOM 815 CA ASN A 56 -12.076 -13.948 8.425 1.00 0.00 C ATOM 816 C ASN A 56 -11.294 -14.910 7.536 1.00 0.00 C ATOM 817 O ASN A 56 -11.764 -15.998 7.204 1.00 0.00 O ATOM 818 CB ASN A 56 -13.492 -13.766 7.873 1.00 0.00 C ATOM 819 CG ASN A 56 -14.373 -12.944 8.792 1.00 0.00 C ATOM 820 OD1 ASN A 56 -14.480 -11.728 8.643 1.00 0.00 O ATOM 821 ND2 ASN A 56 -15.004 -13.598 9.755 1.00 0.00 N ATOM 0 H ASN A 56 -11.767 -11.922 7.947 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.142 -14.375 9.426 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -13.439 -13.282 6.898 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -13.947 -14.745 7.719 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -15.605 -13.092 10.406 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -14.889 -14.607 9.846 1.00 0.00 H new ATOM 828 N GLY A 57 -10.098 -14.496 7.161 1.00 0.00 N ATOM 829 CA GLY A 57 -9.218 -15.326 6.372 1.00 0.00 C ATOM 830 C GLY A 57 -7.793 -14.855 6.520 1.00 0.00 C ATOM 831 O GLY A 57 -7.577 -13.708 6.897 1.00 0.00 O ATOM 0 H GLY A 57 -9.714 -13.580 7.395 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -9.301 -16.365 6.692 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.514 -15.290 5.324 1.00 0.00 H new ATOM 835 N HIS A 58 -6.828 -15.724 6.221 1.00 0.00 N ATOM 836 CA HIS A 58 -5.402 -15.412 6.390 1.00 0.00 C ATOM 837 C HIS A 58 -5.044 -15.302 7.869 1.00 0.00 C ATOM 838 O HIS A 58 -4.483 -16.230 8.457 1.00 0.00 O ATOM 839 CB HIS A 58 -5.002 -14.099 5.697 1.00 0.00 C ATOM 840 CG HIS A 58 -5.150 -14.075 4.209 1.00 0.00 C ATOM 841 ND1 HIS A 58 -4.232 -13.446 3.371 1.00 0.00 N ATOM 842 CD2 HIS A 58 -6.130 -14.551 3.405 1.00 0.00 C ATOM 843 CE1 HIS A 58 -4.666 -13.548 2.121 1.00 0.00 C ATOM 844 NE2 HIS A 58 -5.803 -14.208 2.121 1.00 0.00 N ATOM 0 H HIS A 58 -7.007 -16.660 5.857 1.00 0.00 H new ATOM 0 HA HIS A 58 -4.855 -16.233 5.926 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -5.603 -13.292 6.116 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -3.962 -13.883 5.943 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -7.006 -15.099 3.718 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -4.167 -13.154 1.248 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -6.356 -14.430 1.293 1.00 0.00 H new ATOM 852 N GLY A 59 -5.379 -14.161 8.456 1.00 0.00 N ATOM 853 CA GLY A 59 -5.037 -13.883 9.831 1.00 0.00 C ATOM 854 C GLY A 59 -4.764 -12.410 10.019 1.00 0.00 C ATOM 855 O GLY A 59 -4.042 -11.812 9.218 1.00 0.00 O ATOM 0 H GLY A 59 -5.891 -13.412 7.991 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.852 -14.195 10.485 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.159 -14.461 10.118 1.00 0.00 H new ATOM 859 N LEU A 60 -5.366 -11.821 11.046 1.00 0.00 N ATOM 860 CA LEU A 60 -5.228 -10.391 11.311 1.00 0.00 C ATOM 861 C LEU A 60 -3.760 -9.978 11.360 1.00 0.00 C ATOM 862 O LEU A 60 -2.941 -10.604 12.036 1.00 0.00 O ATOM 863 CB LEU A 60 -5.930 -10.002 12.625 1.00 0.00 C ATOM 864 CG LEU A 60 -5.244 -10.442 13.927 1.00 0.00 C ATOM 865 CD1 LEU A 60 -5.873 -9.732 15.114 1.00 0.00 C ATOM 866 CD2 LEU A 60 -5.331 -11.950 14.115 1.00 0.00 C ATOM 0 H LEU A 60 -5.959 -12.314 11.714 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.708 -9.860 10.489 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.037 -8.917 12.646 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.936 -10.422 12.611 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.191 -10.170 13.861 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.379 -10.051 16.032 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.758 -8.654 14.996 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.933 -9.981 15.167 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.836 -12.230 15.045 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.378 -12.252 14.155 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.841 -12.450 13.279 1.00 0.00 H new ATOM 878 N ILE A 61 -3.433 -8.934 10.621 1.00 0.00 N ATOM 879 CA ILE A 61 -2.075 -8.430 10.565 1.00 0.00 C ATOM 880 C ILE A 61 -1.948 -7.197 11.442 1.00 0.00 C ATOM 881 O ILE A 61 -2.794 -6.304 11.385 1.00 0.00 O ATOM 882 CB ILE A 61 -1.670 -8.070 9.116 1.00 0.00 C ATOM 883 CG1 ILE A 61 -1.929 -9.252 8.174 1.00 0.00 C ATOM 884 CG2 ILE A 61 -0.208 -7.648 9.052 1.00 0.00 C ATOM 885 CD1 ILE A 61 -1.139 -10.501 8.508 1.00 0.00 C ATOM 0 H ILE A 61 -4.097 -8.415 10.046 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.410 -9.214 10.926 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.283 -7.229 8.791 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.992 -9.492 8.195 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.691 -8.948 7.155 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.054 -7.400 8.024 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.053 -6.776 9.687 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.422 -8.466 9.400 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.382 -11.287 7.793 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.073 -10.281 8.457 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.393 -10.834 9.514 1.00 0.00 H new ATOM 897 N SER A 62 -0.914 -7.165 12.269 1.00 0.00 N ATOM 898 CA SER A 62 -0.638 -6.009 13.102 1.00 0.00 C ATOM 899 C SER A 62 -0.510 -4.766 12.220 1.00 0.00 C ATOM 900 O SER A 62 0.175 -4.793 11.199 1.00 0.00 O ATOM 901 CB SER A 62 0.645 -6.248 13.890 1.00 0.00 C ATOM 902 OG SER A 62 0.653 -7.554 14.454 1.00 0.00 O ATOM 0 H SER A 62 -0.250 -7.932 12.380 1.00 0.00 H new ATOM 0 HA SER A 62 -1.455 -5.853 13.806 1.00 0.00 H new ATOM 0 HB2 SER A 62 1.508 -6.124 13.236 1.00 0.00 H new ATOM 0 HB3 SER A 62 0.735 -5.504 14.682 1.00 0.00 H new ATOM 0 HG SER A 62 1.485 -7.689 14.954 1.00 0.00 H new ATOM 908 N LYS A 63 -1.161 -3.677 12.630 1.00 0.00 N ATOM 909 CA LYS A 63 -1.319 -2.508 11.767 1.00 0.00 C ATOM 910 C LYS A 63 -0.034 -1.686 11.641 1.00 0.00 C ATOM 911 O LYS A 63 -0.039 -0.595 11.069 1.00 0.00 O ATOM 912 CB LYS A 63 -2.470 -1.627 12.272 1.00 0.00 C ATOM 913 CG LYS A 63 -3.832 -2.294 12.143 1.00 0.00 C ATOM 914 CD LYS A 63 -4.967 -1.329 12.463 1.00 0.00 C ATOM 915 CE LYS A 63 -6.326 -1.981 12.255 1.00 0.00 C ATOM 916 NZ LYS A 63 -7.449 -1.023 12.442 1.00 0.00 N ATOM 0 H LYS A 63 -1.586 -3.581 13.552 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.555 -2.879 10.769 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.294 -1.373 13.317 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.476 -0.691 11.713 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.955 -2.677 11.130 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.883 -3.150 12.815 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.878 -0.990 13.495 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.885 -0.446 11.830 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.374 -2.402 11.251 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.439 -2.810 12.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.353 -1.514 12.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.421 -0.640 13.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.359 -0.244 11.758 1.00 0.00 H new ATOM 930 N LYS A 64 1.064 -2.210 12.165 1.00 0.00 N ATOM 931 CA LYS A 64 2.366 -1.602 11.953 1.00 0.00 C ATOM 932 C LYS A 64 3.103 -2.306 10.824 1.00 0.00 C ATOM 933 O LYS A 64 3.480 -1.678 9.833 1.00 0.00 O ATOM 934 CB LYS A 64 3.207 -1.625 13.228 1.00 0.00 C ATOM 935 CG LYS A 64 2.876 -0.491 14.180 1.00 0.00 C ATOM 936 CD LYS A 64 3.847 -0.439 15.344 1.00 0.00 C ATOM 937 CE LYS A 64 3.797 0.909 16.037 1.00 0.00 C ATOM 938 NZ LYS A 64 4.233 2.006 15.133 1.00 0.00 N ATOM 0 H LYS A 64 1.078 -3.053 12.739 1.00 0.00 H new ATOM 0 HA LYS A 64 2.205 -0.560 11.676 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.056 -2.576 13.739 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.262 -1.571 12.961 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.901 0.456 13.641 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.861 -0.616 14.557 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.607 -1.227 16.057 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.859 -0.630 14.986 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.782 1.104 16.383 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.436 0.889 16.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.607 2.794 15.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.975 1.655 14.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.422 2.337 14.572 1.00 0.00 H new ATOM 952 N ARG A 65 3.291 -3.612 10.959 1.00 0.00 N ATOM 953 CA ARG A 65 3.981 -4.380 9.934 1.00 0.00 C ATOM 954 C ARG A 65 3.012 -4.794 8.828 1.00 0.00 C ATOM 955 O ARG A 65 2.683 -5.969 8.658 1.00 0.00 O ATOM 956 CB ARG A 65 4.690 -5.596 10.541 1.00 0.00 C ATOM 957 CG ARG A 65 5.495 -6.398 9.529 1.00 0.00 C ATOM 958 CD ARG A 65 6.550 -7.253 10.203 1.00 0.00 C ATOM 959 NE ARG A 65 7.631 -6.435 10.757 1.00 0.00 N ATOM 960 CZ ARG A 65 8.755 -6.936 11.269 1.00 0.00 C ATOM 961 NH1 ARG A 65 8.914 -8.250 11.373 1.00 0.00 N ATOM 962 NH2 ARG A 65 9.712 -6.125 11.702 1.00 0.00 N ATOM 0 H ARG A 65 2.978 -4.157 11.762 1.00 0.00 H new ATOM 0 HA ARG A 65 4.746 -3.745 9.488 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.354 -5.259 11.337 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.947 -6.248 11.001 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.824 -7.035 8.953 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.973 -5.718 8.824 1.00 0.00 H new ATOM 0 HD2 ARG A 65 6.091 -7.839 10.999 1.00 0.00 H new ATOM 0 HD3 ARG A 65 6.961 -7.961 9.483 1.00 0.00 H new ATOM 0 HE ARG A 65 7.517 -5.421 10.751 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.175 -8.879 11.061 1.00 0.00 H new ATOM 0 HH12 ARG A 65 9.775 -8.630 11.765 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.589 -5.114 11.644 1.00 0.00 H new ATOM 0 HH22 ARG A 65 10.571 -6.513 12.093 1.00 0.00 H new ATOM 976 N VAL A 66 2.537 -3.799 8.102 1.00 0.00 N ATOM 977 CA VAL A 66 1.696 -4.016 6.941 1.00 0.00 C ATOM 978 C VAL A 66 2.510 -3.734 5.687 1.00 0.00 C ATOM 979 O VAL A 66 3.320 -2.804 5.664 1.00 0.00 O ATOM 980 CB VAL A 66 0.451 -3.101 6.965 1.00 0.00 C ATOM 981 CG1 VAL A 66 -0.469 -3.404 5.794 1.00 0.00 C ATOM 982 CG2 VAL A 66 -0.299 -3.247 8.280 1.00 0.00 C ATOM 0 H VAL A 66 2.724 -2.816 8.302 1.00 0.00 H new ATOM 0 HA VAL A 66 1.351 -5.050 6.950 1.00 0.00 H new ATOM 0 HB VAL A 66 0.791 -2.070 6.874 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.337 -2.747 5.834 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.067 -3.241 4.859 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.797 -4.442 5.848 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.172 -2.594 8.276 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.620 -4.281 8.403 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.357 -2.970 9.106 1.00 0.00 H new ATOM 992 N ASN A 67 2.319 -4.538 4.656 1.00 0.00 N ATOM 993 CA ASN A 67 3.072 -4.379 3.425 1.00 0.00 C ATOM 994 C ASN A 67 2.417 -3.316 2.551 1.00 0.00 C ATOM 995 O ASN A 67 1.645 -3.628 1.648 1.00 0.00 O ATOM 996 CB ASN A 67 3.172 -5.717 2.676 1.00 0.00 C ATOM 997 CG ASN A 67 4.048 -5.654 1.431 1.00 0.00 C ATOM 998 OD1 ASN A 67 3.772 -6.320 0.434 1.00 0.00 O ATOM 999 ND2 ASN A 67 5.129 -4.889 1.490 1.00 0.00 N ATOM 0 H ASN A 67 1.649 -5.307 4.647 1.00 0.00 H new ATOM 0 HA ASN A 67 4.084 -4.055 3.669 1.00 0.00 H new ATOM 0 HB2 ASN A 67 3.570 -6.474 3.352 1.00 0.00 H new ATOM 0 HB3 ASN A 67 2.171 -6.040 2.390 1.00 0.00 H new ATOM 0 HD21 ASN A 67 5.763 -4.839 0.692 1.00 0.00 H new ATOM 0 HD22 ASN A 67 5.327 -4.350 2.333 1.00 0.00 H new ATOM 1006 N PHE A 68 2.685 -2.056 2.868 1.00 0.00 N ATOM 1007 CA PHE A 68 2.203 -0.951 2.055 1.00 0.00 C ATOM 1008 C PHE A 68 2.997 -0.910 0.763 1.00 0.00 C ATOM 1009 O PHE A 68 4.145 -0.471 0.740 1.00 0.00 O ATOM 1010 CB PHE A 68 2.338 0.385 2.794 1.00 0.00 C ATOM 1011 CG PHE A 68 1.471 0.498 4.018 1.00 0.00 C ATOM 1012 CD1 PHE A 68 0.128 0.825 3.907 1.00 0.00 C ATOM 1013 CD2 PHE A 68 2.001 0.285 5.281 1.00 0.00 C ATOM 1014 CE1 PHE A 68 -0.668 0.938 5.031 1.00 0.00 C ATOM 1015 CE2 PHE A 68 1.209 0.396 6.408 1.00 0.00 C ATOM 1016 CZ PHE A 68 -0.128 0.723 6.283 1.00 0.00 C ATOM 0 H PHE A 68 3.233 -1.776 3.681 1.00 0.00 H new ATOM 0 HA PHE A 68 1.145 -1.107 1.842 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.379 0.524 3.085 1.00 0.00 H new ATOM 0 HB3 PHE A 68 2.088 1.195 2.108 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.301 0.993 2.930 1.00 0.00 H new ATOM 0 HD2 PHE A 68 3.045 0.029 5.385 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.712 1.194 4.930 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.635 0.227 7.386 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.749 0.810 7.163 1.00 0.00 H new ATOM 1026 N VAL A 69 2.395 -1.398 -0.304 1.00 0.00 N ATOM 1027 CA VAL A 69 3.109 -1.546 -1.559 1.00 0.00 C ATOM 1028 C VAL A 69 2.392 -0.836 -2.706 1.00 0.00 C ATOM 1029 O VAL A 69 1.158 -0.799 -2.762 1.00 0.00 O ATOM 1030 CB VAL A 69 3.311 -3.046 -1.898 1.00 0.00 C ATOM 1031 CG1 VAL A 69 1.975 -3.760 -2.035 1.00 0.00 C ATOM 1032 CG2 VAL A 69 4.145 -3.219 -3.158 1.00 0.00 C ATOM 0 H VAL A 69 1.420 -1.697 -0.329 1.00 0.00 H new ATOM 0 HA VAL A 69 4.085 -1.076 -1.436 1.00 0.00 H new ATOM 0 HB VAL A 69 3.855 -3.500 -1.070 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.146 -4.810 -2.273 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.425 -3.685 -1.097 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.395 -3.297 -2.834 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.269 -4.281 -3.369 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.641 -2.739 -3.997 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.124 -2.761 -3.012 1.00 0.00 H new ATOM 1042 N ILE A 70 3.178 -0.237 -3.597 1.00 0.00 N ATOM 1043 CA ILE A 70 2.651 0.317 -4.833 1.00 0.00 C ATOM 1044 C ILE A 70 2.509 -0.813 -5.846 1.00 0.00 C ATOM 1045 O ILE A 70 3.424 -1.082 -6.629 1.00 0.00 O ATOM 1046 CB ILE A 70 3.562 1.425 -5.418 1.00 0.00 C ATOM 1047 CG1 ILE A 70 3.923 2.454 -4.340 1.00 0.00 C ATOM 1048 CG2 ILE A 70 2.873 2.108 -6.594 1.00 0.00 C ATOM 1049 CD1 ILE A 70 4.918 3.504 -4.802 1.00 0.00 C ATOM 0 H ILE A 70 4.185 -0.125 -3.482 1.00 0.00 H new ATOM 0 HA ILE A 70 1.686 0.775 -4.617 1.00 0.00 H new ATOM 0 HB ILE A 70 4.483 0.963 -5.772 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.012 2.952 -4.007 1.00 0.00 H new ATOM 0 HG13 ILE A 70 4.335 1.932 -3.476 1.00 0.00 H new ATOM 0 HG21 ILE A 70 3.524 2.885 -6.996 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.664 1.372 -7.370 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.938 2.556 -6.258 1.00 0.00 H new ATOM 0 HD11 ILE A 70 5.123 4.195 -3.985 1.00 0.00 H new ATOM 0 HD12 ILE A 70 5.845 3.018 -5.107 1.00 0.00 H new ATOM 0 HD13 ILE A 70 4.501 4.054 -5.646 1.00 0.00 H new ATOM 1061 N SER A 71 1.385 -1.507 -5.775 1.00 0.00 N ATOM 1062 CA SER A 71 1.160 -2.699 -6.577 1.00 0.00 C ATOM 1063 C SER A 71 1.100 -2.389 -8.069 1.00 0.00 C ATOM 1064 O SER A 71 0.220 -1.659 -8.530 1.00 0.00 O ATOM 1065 CB SER A 71 -0.143 -3.367 -6.145 1.00 0.00 C ATOM 1066 OG SER A 71 -0.209 -3.491 -4.735 1.00 0.00 O ATOM 0 H SER A 71 0.606 -1.262 -5.163 1.00 0.00 H new ATOM 0 HA SER A 71 2.004 -3.369 -6.412 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.991 -2.782 -6.502 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.220 -4.353 -6.604 1.00 0.00 H new ATOM 0 HG SER A 71 -1.137 -3.378 -4.440 1.00 0.00 H new ATOM 1072 N ASP A 72 2.047 -2.938 -8.820 1.00 0.00 N ATOM 1073 CA ASP A 72 1.986 -2.879 -10.273 1.00 0.00 C ATOM 1074 C ASP A 72 0.988 -3.914 -10.774 1.00 0.00 C ATOM 1075 O ASP A 72 1.336 -5.070 -11.028 1.00 0.00 O ATOM 1076 CB ASP A 72 3.365 -3.113 -10.906 1.00 0.00 C ATOM 1077 CG ASP A 72 3.308 -3.179 -12.425 1.00 0.00 C ATOM 1078 OD1 ASP A 72 3.084 -2.131 -13.067 1.00 0.00 O ATOM 1079 OD2 ASP A 72 3.493 -4.285 -12.986 1.00 0.00 O ATOM 0 H ASP A 72 2.862 -3.426 -8.448 1.00 0.00 H new ATOM 0 HA ASP A 72 1.661 -1.881 -10.567 1.00 0.00 H new ATOM 0 HB2 ASP A 72 4.039 -2.311 -10.606 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.784 -4.043 -10.521 1.00 0.00 H new ATOM 1084 N GLN A 73 -0.269 -3.510 -10.832 1.00 0.00 N ATOM 1085 CA GLN A 73 -1.331 -4.373 -11.319 1.00 0.00 C ATOM 1086 C GLN A 73 -1.992 -3.728 -12.531 1.00 0.00 C ATOM 1087 O GLN A 73 -2.945 -4.255 -13.104 1.00 0.00 O ATOM 1088 CB GLN A 73 -2.357 -4.626 -10.207 1.00 0.00 C ATOM 1089 CG GLN A 73 -3.393 -5.685 -10.553 1.00 0.00 C ATOM 1090 CD GLN A 73 -2.771 -7.034 -10.866 1.00 0.00 C ATOM 1091 OE1 GLN A 73 -1.730 -7.398 -10.317 1.00 0.00 O ATOM 1092 NE2 GLN A 73 -3.399 -7.776 -11.763 1.00 0.00 N ATOM 0 H GLN A 73 -0.581 -2.582 -10.545 1.00 0.00 H new ATOM 0 HA GLN A 73 -0.912 -5.334 -11.617 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -1.830 -4.929 -9.302 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -2.869 -3.691 -9.979 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -4.087 -5.794 -9.720 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -3.976 -5.350 -11.411 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -4.259 -7.437 -12.194 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -3.023 -8.688 -12.024 1.00 0.00 H new ATOM 1101 N LEU A 74 -1.460 -2.582 -12.923 1.00 0.00 N ATOM 1102 CA LEU A 74 -1.984 -1.847 -14.059 1.00 0.00 C ATOM 1103 C LEU A 74 -1.099 -2.074 -15.275 1.00 0.00 C ATOM 1104 O LEU A 74 0.124 -2.173 -15.151 1.00 0.00 O ATOM 1105 CB LEU A 74 -2.063 -0.353 -13.736 1.00 0.00 C ATOM 1106 CG LEU A 74 -2.956 0.007 -12.546 1.00 0.00 C ATOM 1107 CD1 LEU A 74 -2.905 1.502 -12.276 1.00 0.00 C ATOM 1108 CD2 LEU A 74 -4.387 -0.445 -12.793 1.00 0.00 C ATOM 0 H LEU A 74 -0.661 -2.140 -12.468 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.989 -2.208 -14.278 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.056 0.014 -13.539 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.428 0.175 -14.617 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.582 -0.514 -11.665 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.546 1.740 -11.427 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.880 1.796 -12.051 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.253 2.043 -13.156 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.005 -0.180 -11.936 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.775 0.046 -13.686 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.408 -1.526 -12.935 1.00 0.00 H new ATOM 1120 N GLU A 75 -1.720 -2.164 -16.441 1.00 0.00 N ATOM 1121 CA GLU A 75 -0.985 -2.393 -17.677 1.00 0.00 C ATOM 1122 C GLU A 75 -0.110 -1.190 -17.996 1.00 0.00 C ATOM 1123 O GLU A 75 -0.617 -0.115 -18.319 1.00 0.00 O ATOM 1124 CB GLU A 75 -1.939 -2.663 -18.850 1.00 0.00 C ATOM 1125 CG GLU A 75 -2.815 -3.897 -18.684 1.00 0.00 C ATOM 1126 CD GLU A 75 -3.967 -3.675 -17.730 1.00 0.00 C ATOM 1127 OE1 GLU A 75 -4.888 -2.907 -18.080 1.00 0.00 O ATOM 1128 OE2 GLU A 75 -3.954 -4.253 -16.626 1.00 0.00 O ATOM 0 H GLU A 75 -2.730 -2.082 -16.558 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.357 -3.273 -17.535 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.582 -1.793 -18.986 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -1.351 -2.771 -19.762 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.207 -4.192 -19.657 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -2.204 -4.724 -18.322 1.00 0.00 H new ATOM 1135 N HIS A 76 1.201 -1.363 -17.891 1.00 0.00 N ATOM 1136 CA HIS A 76 2.127 -0.280 -18.190 1.00 0.00 C ATOM 1137 C HIS A 76 2.829 -0.533 -19.520 1.00 0.00 C ATOM 1138 O HIS A 76 3.829 0.110 -19.836 1.00 0.00 O ATOM 1139 CB HIS A 76 3.144 -0.075 -17.051 1.00 0.00 C ATOM 1140 CG HIS A 76 4.049 -1.242 -16.767 1.00 0.00 C ATOM 1141 ND1 HIS A 76 3.994 -1.968 -15.594 1.00 0.00 N ATOM 1142 CD2 HIS A 76 5.071 -1.775 -17.484 1.00 0.00 C ATOM 1143 CE1 HIS A 76 4.939 -2.888 -15.603 1.00 0.00 C ATOM 1144 NE2 HIS A 76 5.604 -2.792 -16.736 1.00 0.00 N ATOM 0 H HIS A 76 1.644 -2.236 -17.603 1.00 0.00 H new ATOM 0 HA HIS A 76 1.552 0.642 -18.276 1.00 0.00 H new ATOM 0 HB2 HIS A 76 3.762 0.790 -17.292 1.00 0.00 H new ATOM 0 HB3 HIS A 76 2.597 0.167 -16.140 1.00 0.00 H new ATOM 0 HD1 HIS A 76 3.326 -1.816 -14.838 1.00 0.00 H new ATOM 0 HD2 HIS A 76 5.402 -1.457 -18.462 1.00 0.00 H new ATOM 0 HE1 HIS A 76 5.135 -3.600 -14.815 1.00 0.00 H new ATOM 1153 N HIS A 77 2.276 -1.476 -20.286 1.00 0.00 N ATOM 1154 CA HIS A 77 2.739 -1.795 -21.639 1.00 0.00 C ATOM 1155 C HIS A 77 4.082 -2.514 -21.633 1.00 0.00 C ATOM 1156 O HIS A 77 5.097 -1.983 -21.177 1.00 0.00 O ATOM 1157 CB HIS A 77 2.805 -0.541 -22.522 1.00 0.00 C ATOM 1158 CG HIS A 77 1.459 0.007 -22.895 1.00 0.00 C ATOM 1159 ND1 HIS A 77 1.190 0.576 -24.120 1.00 0.00 N ATOM 1160 CD2 HIS A 77 0.302 0.067 -22.196 1.00 0.00 C ATOM 1161 CE1 HIS A 77 -0.071 0.962 -24.156 1.00 0.00 C ATOM 1162 NE2 HIS A 77 -0.631 0.664 -23.001 1.00 0.00 N ATOM 0 H HIS A 77 1.486 -2.045 -19.982 1.00 0.00 H new ATOM 0 HA HIS A 77 2.002 -2.476 -22.065 1.00 0.00 H new ATOM 0 HB2 HIS A 77 3.369 0.231 -21.999 1.00 0.00 H new ATOM 0 HB3 HIS A 77 3.356 -0.777 -23.432 1.00 0.00 H new ATOM 0 HD2 HIS A 77 0.144 -0.290 -21.189 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -0.561 1.441 -24.991 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -1.602 0.848 -22.748 1.00 0.00 H new ATOM 1171 N HIS A 78 4.077 -3.735 -22.147 1.00 0.00 N ATOM 1172 CA HIS A 78 5.299 -4.508 -22.307 1.00 0.00 C ATOM 1173 C HIS A 78 6.194 -3.820 -23.332 1.00 0.00 C ATOM 1174 O HIS A 78 7.413 -3.770 -23.178 1.00 0.00 O ATOM 1175 CB HIS A 78 4.971 -5.936 -22.753 1.00 0.00 C ATOM 1176 CG HIS A 78 6.163 -6.841 -22.814 1.00 0.00 C ATOM 1177 ND1 HIS A 78 6.451 -7.636 -23.903 1.00 0.00 N ATOM 1178 CD2 HIS A 78 7.138 -7.082 -21.908 1.00 0.00 C ATOM 1179 CE1 HIS A 78 7.553 -8.325 -23.664 1.00 0.00 C ATOM 1180 NE2 HIS A 78 7.992 -8.004 -22.459 1.00 0.00 N ATOM 0 H HIS A 78 3.234 -4.214 -22.462 1.00 0.00 H new ATOM 0 HA HIS A 78 5.822 -4.564 -21.352 1.00 0.00 H new ATOM 0 HB2 HIS A 78 4.239 -6.361 -22.067 1.00 0.00 H new ATOM 0 HB3 HIS A 78 4.503 -5.901 -23.737 1.00 0.00 H new ATOM 0 HD2 HIS A 78 7.228 -6.632 -20.931 1.00 0.00 H new ATOM 0 HE1 HIS A 78 8.016 -9.030 -24.338 1.00 0.00 H new ATOM 0 HE2 HIS A 78 8.828 -8.380 -22.012 1.00 0.00 H new ATOM 1189 N HIS A 79 5.573 -3.283 -24.374 1.00 0.00 N ATOM 1190 CA HIS A 79 6.292 -2.496 -25.363 1.00 0.00 C ATOM 1191 C HIS A 79 6.399 -1.048 -24.909 1.00 0.00 C ATOM 1192 O HIS A 79 5.480 -0.256 -25.102 1.00 0.00 O ATOM 1193 CB HIS A 79 5.609 -2.572 -26.732 1.00 0.00 C ATOM 1194 CG HIS A 79 6.127 -3.673 -27.601 1.00 0.00 C ATOM 1195 ND1 HIS A 79 6.789 -3.442 -28.786 1.00 0.00 N ATOM 1196 CD2 HIS A 79 6.082 -5.018 -27.454 1.00 0.00 C ATOM 1197 CE1 HIS A 79 7.127 -4.595 -29.332 1.00 0.00 C ATOM 1198 NE2 HIS A 79 6.711 -5.567 -28.543 1.00 0.00 N ATOM 0 H HIS A 79 4.574 -3.379 -24.555 1.00 0.00 H new ATOM 0 HA HIS A 79 7.295 -2.912 -25.461 1.00 0.00 H new ATOM 0 HB2 HIS A 79 4.537 -2.709 -26.587 1.00 0.00 H new ATOM 0 HB3 HIS A 79 5.741 -1.621 -27.248 1.00 0.00 H new ATOM 0 HD2 HIS A 79 5.635 -5.558 -26.633 1.00 0.00 H new ATOM 0 HE1 HIS A 79 7.654 -4.721 -30.266 1.00 0.00 H new ATOM 0 HE2 HIS A 79 6.837 -6.565 -28.715 1.00 0.00 H new ATOM 1207 N HIS A 80 7.513 -0.727 -24.271 1.00 0.00 N ATOM 1208 CA HIS A 80 7.787 0.631 -23.823 1.00 0.00 C ATOM 1209 C HIS A 80 9.278 0.907 -23.945 1.00 0.00 C ATOM 1210 O HIS A 80 10.070 -0.025 -24.111 1.00 0.00 O ATOM 1211 CB HIS A 80 7.317 0.842 -22.371 1.00 0.00 C ATOM 1212 CG HIS A 80 8.094 0.064 -21.345 1.00 0.00 C ATOM 1213 ND1 HIS A 80 7.683 -1.158 -20.856 1.00 0.00 N ATOM 1214 CD2 HIS A 80 9.262 0.344 -20.715 1.00 0.00 C ATOM 1215 CE1 HIS A 80 8.566 -1.597 -19.974 1.00 0.00 C ATOM 1216 NE2 HIS A 80 9.531 -0.703 -19.871 1.00 0.00 N ATOM 0 H HIS A 80 8.250 -1.396 -24.049 1.00 0.00 H new ATOM 0 HA HIS A 80 7.234 1.328 -24.453 1.00 0.00 H new ATOM 0 HB2 HIS A 80 7.384 1.903 -22.131 1.00 0.00 H new ATOM 0 HB3 HIS A 80 6.265 0.565 -22.299 1.00 0.00 H new ATOM 0 HD1 HIS A 80 6.831 -1.647 -21.131 1.00 0.00 H new ATOM 0 HD2 HIS A 80 9.868 1.227 -20.852 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.507 -2.529 -19.431 1.00 0.00 H new ATOM 1225 N HIS A 81 9.667 2.167 -23.859 1.00 0.00 N ATOM 1226 CA HIS A 81 11.070 2.523 -23.972 1.00 0.00 C ATOM 1227 C HIS A 81 11.628 2.882 -22.601 1.00 0.00 C ATOM 1228 O HIS A 81 11.564 4.068 -22.224 1.00 0.00 O ATOM 1229 CB HIS A 81 11.249 3.687 -24.951 1.00 0.00 C ATOM 1230 CG HIS A 81 12.677 3.988 -25.276 1.00 0.00 C ATOM 1231 ND1 HIS A 81 13.427 3.216 -26.135 1.00 0.00 N ATOM 1232 CD2 HIS A 81 13.495 4.981 -24.856 1.00 0.00 C ATOM 1233 CE1 HIS A 81 14.642 3.719 -26.228 1.00 0.00 C ATOM 1234 NE2 HIS A 81 14.707 4.790 -25.465 1.00 0.00 N ATOM 1235 OXT HIS A 81 12.102 1.970 -21.895 1.00 0.00 O ATOM 0 H HIS A 81 9.036 2.955 -23.712 1.00 0.00 H new ATOM 0 HA HIS A 81 11.622 1.666 -24.359 1.00 0.00 H new ATOM 0 HB2 HIS A 81 10.716 3.458 -25.874 1.00 0.00 H new ATOM 0 HB3 HIS A 81 10.786 4.579 -24.529 1.00 0.00 H new ATOM 0 HD2 HIS A 81 13.240 5.775 -24.170 1.00 0.00 H new ATOM 0 HE1 HIS A 81 15.447 3.320 -26.828 1.00 0.00 H new ATOM 0 HE2 HIS A 81 15.529 5.383 -25.346 1.00 0.00 H new TER 1244 HIS A 81 HETATM 1245 ZN ZN A 150 10.148 13.514 -8.544 1.00 0.00 ZN HETATM 1246 ZN ZN A 200 -2.469 -12.531 3.781 1.00 0.00 ZN