USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 723 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 42 HIS HE2 : A 42 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 76 HIS HE2 : A 76 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 62 TYR OH : rot -102:sc= 1.07 USER MOD Set 1.2: A 82 GLN :FLIP amide:sc= -0.894 F(o=-4.4,f=0.18) USER MOD Set 2.1: A 27 GLN : amide:sc= -0.122 K(o=-0.55,f=-1.8!) USER MOD Set 2.2: A 54 ASN : amide:sc= -0.426 K(o=-0.55,f=-3.5) USER MOD Set 3.1: A 17 THR OG1 : rot 170:sc= -0.0244 USER MOD Set 3.2: A 89 GLN : amide:sc= -0.454 X(o=-0.48,f=-0.48) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -57:sc= 0.111 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 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 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 35:sc= 0.107 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 137:sc= 0.617 (180deg=0.085) USER MOD Single : A 30 ASN : amide:sc= -0.603 K(o=-0.6,f=-4.6!) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.178 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.00179 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.00578 USER MOD Single : A 60 MET CE :methyl -147:sc= -0.155 (180deg=-1.42!) USER MOD Single : A 64 LYS NZ :NH3+ -130:sc= -0.1 (180deg=-0.779) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS :FLIP no HD1:sc= -13.5! C(o=-14!,f=-13!) USER MOD Single : A 84 LYS NZ :NH3+ -125:sc= 0.0141 (180deg=-0.0439) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HE2:sc=-0.000177 K(o=-0.00018,f=-1.1) USER MOD Single : A 91 GLN : amide:sc= -0.0458 K(o=-0.046,f=-1.7!) USER MOD Single : A 93 ASN : amide:sc= -0.315 X(o=-0.32,f=-0.43) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.319 32.058 -11.812 1.00 0.00 N ATOM 2 CA GLY A 1 20.586 33.293 -12.018 1.00 0.00 C ATOM 3 C GLY A 1 19.094 33.123 -11.810 1.00 0.00 C ATOM 4 O GLY A 1 18.319 33.167 -12.765 1.00 0.00 O ATOM 0 H1 GLY A 1 22.334 32.227 -11.966 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.167 31.722 -10.839 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.982 31.338 -12.483 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.961 34.053 -11.333 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.770 33.657 -13.029 1.00 0.00 H new ATOM 8 N SER A 2 18.691 32.928 -10.559 1.00 0.00 N ATOM 9 CA SER A 2 17.282 32.745 -10.229 1.00 0.00 C ATOM 10 C SER A 2 16.648 31.684 -11.124 1.00 0.00 C ATOM 11 O SER A 2 15.526 31.850 -11.602 1.00 0.00 O ATOM 12 CB SER A 2 16.528 34.068 -10.373 1.00 0.00 C ATOM 13 OG SER A 2 15.268 34.010 -9.726 1.00 0.00 O ATOM 0 H SER A 2 19.320 32.893 -9.757 1.00 0.00 H new ATOM 0 HA SER A 2 17.216 32.408 -9.194 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.122 34.877 -9.947 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.388 34.297 -11.429 1.00 0.00 H new ATOM 0 HG SER A 2 14.742 33.272 -10.099 1.00 0.00 H new ATOM 19 N SER A 3 17.376 30.595 -11.346 1.00 0.00 N ATOM 20 CA SER A 3 16.888 29.507 -12.186 1.00 0.00 C ATOM 21 C SER A 3 16.046 28.528 -11.373 1.00 0.00 C ATOM 22 O SER A 3 16.391 28.185 -10.243 1.00 0.00 O ATOM 23 CB SER A 3 18.060 28.771 -12.837 1.00 0.00 C ATOM 24 OG SER A 3 18.959 28.279 -11.859 1.00 0.00 O ATOM 0 H SER A 3 18.306 30.442 -10.956 1.00 0.00 H new ATOM 0 HA SER A 3 16.261 29.938 -12.966 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.685 27.944 -13.439 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.586 29.445 -13.513 1.00 0.00 H new ATOM 0 HG SER A 3 19.698 27.811 -12.300 1.00 0.00 H new ATOM 30 N GLY A 4 14.938 28.083 -11.958 1.00 0.00 N ATOM 31 CA GLY A 4 14.063 27.148 -11.274 1.00 0.00 C ATOM 32 C GLY A 4 14.457 25.704 -11.514 1.00 0.00 C ATOM 33 O GLY A 4 15.233 25.130 -10.750 1.00 0.00 O ATOM 0 H GLY A 4 14.631 28.353 -12.892 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.082 27.354 -10.204 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.038 27.302 -11.610 1.00 0.00 H new ATOM 37 N SER A 5 13.921 25.114 -12.578 1.00 0.00 N ATOM 38 CA SER A 5 14.216 23.726 -12.913 1.00 0.00 C ATOM 39 C SER A 5 13.791 23.411 -14.344 1.00 0.00 C ATOM 40 O SER A 5 12.626 23.572 -14.707 1.00 0.00 O ATOM 41 CB SER A 5 13.509 22.782 -11.939 1.00 0.00 C ATOM 42 OG SER A 5 13.954 21.447 -12.108 1.00 0.00 O ATOM 0 H SER A 5 13.280 25.576 -13.223 1.00 0.00 H new ATOM 0 HA SER A 5 15.293 23.579 -12.831 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.697 23.104 -10.915 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.432 22.832 -12.097 1.00 0.00 H new ATOM 0 HG SER A 5 13.488 20.864 -11.473 1.00 0.00 H new ATOM 48 N SER A 6 14.745 22.959 -15.152 1.00 0.00 N ATOM 49 CA SER A 6 14.472 22.624 -16.545 1.00 0.00 C ATOM 50 C SER A 6 14.565 21.118 -16.769 1.00 0.00 C ATOM 51 O SER A 6 15.449 20.452 -16.231 1.00 0.00 O ATOM 52 CB SER A 6 15.452 23.351 -17.468 1.00 0.00 C ATOM 53 OG SER A 6 15.178 23.065 -18.829 1.00 0.00 O ATOM 0 H SER A 6 15.714 22.816 -14.866 1.00 0.00 H new ATOM 0 HA SER A 6 13.457 22.946 -16.779 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.387 24.426 -17.299 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.472 23.052 -17.228 1.00 0.00 H new ATOM 0 HG SER A 6 15.817 23.543 -19.399 1.00 0.00 H new ATOM 59 N GLY A 7 13.646 20.587 -17.569 1.00 0.00 N ATOM 60 CA GLY A 7 13.641 19.163 -17.852 1.00 0.00 C ATOM 61 C GLY A 7 12.669 18.794 -18.955 1.00 0.00 C ATOM 62 O GLY A 7 12.873 19.150 -20.116 1.00 0.00 O ATOM 0 H GLY A 7 12.904 21.117 -18.027 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.645 18.849 -18.137 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.381 18.617 -16.945 1.00 0.00 H new ATOM 66 N SER A 8 11.609 18.078 -18.593 1.00 0.00 N ATOM 67 CA SER A 8 10.605 17.656 -19.561 1.00 0.00 C ATOM 68 C SER A 8 9.381 18.566 -19.507 1.00 0.00 C ATOM 69 O SER A 8 9.122 19.218 -18.495 1.00 0.00 O ATOM 70 CB SER A 8 10.189 16.207 -19.299 1.00 0.00 C ATOM 71 OG SER A 8 9.469 16.095 -18.083 1.00 0.00 O ATOM 0 H SER A 8 11.424 17.778 -17.636 1.00 0.00 H new ATOM 0 HA SER A 8 11.045 17.726 -20.556 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.574 15.847 -20.124 1.00 0.00 H new ATOM 0 HB3 SER A 8 11.074 15.572 -19.261 1.00 0.00 H new ATOM 0 HG SER A 8 9.213 15.160 -17.939 1.00 0.00 H new ATOM 77 N THR A 9 8.630 18.604 -20.603 1.00 0.00 N ATOM 78 CA THR A 9 7.434 19.433 -20.682 1.00 0.00 C ATOM 79 C THR A 9 6.177 18.611 -20.425 1.00 0.00 C ATOM 80 O THR A 9 5.975 17.561 -21.035 1.00 0.00 O ATOM 81 CB THR A 9 7.315 20.117 -22.057 1.00 0.00 C ATOM 82 OG1 THR A 9 7.309 19.131 -23.096 1.00 0.00 O ATOM 83 CG2 THR A 9 8.464 21.089 -22.280 1.00 0.00 C ATOM 0 H THR A 9 8.829 18.070 -21.449 1.00 0.00 H new ATOM 0 HA THR A 9 7.528 20.198 -19.911 1.00 0.00 H new ATOM 0 HB THR A 9 6.379 20.675 -22.080 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.839 18.330 -22.784 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.358 21.559 -23.258 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.448 21.855 -21.505 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.410 20.550 -22.238 1.00 0.00 H new ATOM 91 N ALA A 10 5.334 19.095 -19.519 1.00 0.00 N ATOM 92 CA ALA A 10 4.094 18.406 -19.184 1.00 0.00 C ATOM 93 C ALA A 10 3.063 18.558 -20.297 1.00 0.00 C ATOM 94 O ALA A 10 2.296 19.521 -20.321 1.00 0.00 O ATOM 95 CB ALA A 10 3.536 18.932 -17.870 1.00 0.00 C ATOM 0 H ALA A 10 5.487 19.962 -19.004 1.00 0.00 H new ATOM 0 HA ALA A 10 4.316 17.345 -19.073 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.610 18.408 -17.632 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.262 18.765 -17.074 1.00 0.00 H new ATOM 0 HB3 ALA A 10 3.336 20.000 -17.961 1.00 0.00 H new ATOM 101 N THR A 11 3.049 17.601 -21.220 1.00 0.00 N ATOM 102 CA THR A 11 2.114 17.630 -22.337 1.00 0.00 C ATOM 103 C THR A 11 0.705 17.972 -21.866 1.00 0.00 C ATOM 104 O THR A 11 0.023 18.799 -22.470 1.00 0.00 O ATOM 105 CB THR A 11 2.081 16.279 -23.078 1.00 0.00 C ATOM 106 OG1 THR A 11 1.833 15.217 -22.150 1.00 0.00 O ATOM 107 CG2 THR A 11 3.395 16.028 -23.803 1.00 0.00 C ATOM 0 H THR A 11 3.675 16.796 -21.215 1.00 0.00 H new ATOM 0 HA THR A 11 2.464 18.403 -23.021 1.00 0.00 H new ATOM 0 HB THR A 11 1.278 16.313 -23.814 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.812 14.362 -22.629 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.349 15.069 -24.319 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.567 16.822 -24.529 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.212 16.013 -23.081 1.00 0.00 H new ATOM 115 N GLN A 12 0.276 17.330 -20.784 1.00 0.00 N ATOM 116 CA GLN A 12 -1.053 17.568 -20.232 1.00 0.00 C ATOM 117 C GLN A 12 -1.015 17.584 -18.708 1.00 0.00 C ATOM 118 O GLN A 12 0.035 17.372 -18.100 1.00 0.00 O ATOM 119 CB GLN A 12 -2.029 16.495 -20.719 1.00 0.00 C ATOM 120 CG GLN A 12 -2.491 16.698 -22.153 1.00 0.00 C ATOM 121 CD GLN A 12 -3.582 15.726 -22.557 1.00 0.00 C ATOM 122 OE1 GLN A 12 -3.492 14.527 -22.290 1.00 0.00 O ATOM 123 NE2 GLN A 12 -4.621 16.238 -23.206 1.00 0.00 N ATOM 0 H GLN A 12 0.829 16.642 -20.273 1.00 0.00 H new ATOM 0 HA GLN A 12 -1.394 18.544 -20.578 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.553 15.518 -20.634 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -2.900 16.484 -20.064 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -2.856 17.718 -22.272 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -1.640 16.583 -22.825 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -4.655 17.238 -23.407 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -5.385 15.632 -23.504 1.00 0.00 H new ATOM 132 N LYS A 13 -2.166 17.837 -18.095 1.00 0.00 N ATOM 133 CA LYS A 13 -2.266 17.880 -16.641 1.00 0.00 C ATOM 134 C LYS A 13 -3.362 16.944 -16.142 1.00 0.00 C ATOM 135 O LYS A 13 -4.463 17.384 -15.806 1.00 0.00 O ATOM 136 CB LYS A 13 -2.548 19.309 -16.171 1.00 0.00 C ATOM 137 CG LYS A 13 -3.618 20.017 -16.984 1.00 0.00 C ATOM 138 CD LYS A 13 -3.017 20.786 -18.148 1.00 0.00 C ATOM 139 CE LYS A 13 -2.542 22.166 -17.719 1.00 0.00 C ATOM 140 NZ LYS A 13 -2.384 23.084 -18.880 1.00 0.00 N ATOM 0 H LYS A 13 -3.044 18.016 -18.583 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.314 17.548 -16.227 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -2.855 19.285 -15.125 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -1.625 19.887 -16.219 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.333 19.286 -17.361 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.171 20.702 -16.341 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.180 20.225 -18.563 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.758 20.885 -18.941 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.255 22.592 -17.013 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.590 22.076 -17.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -2.059 24.014 -18.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.685 22.690 -19.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.298 23.191 -19.365 1.00 0.00 H new ATOM 154 N LEU A 14 -3.055 15.653 -16.096 1.00 0.00 N ATOM 155 CA LEU A 14 -4.014 14.654 -15.636 1.00 0.00 C ATOM 156 C LEU A 14 -3.307 13.363 -15.237 1.00 0.00 C ATOM 157 O LEU A 14 -2.248 13.031 -15.772 1.00 0.00 O ATOM 158 CB LEU A 14 -5.044 14.367 -16.730 1.00 0.00 C ATOM 159 CG LEU A 14 -4.559 13.514 -17.902 1.00 0.00 C ATOM 160 CD1 LEU A 14 -5.733 12.838 -18.593 1.00 0.00 C ATOM 161 CD2 LEU A 14 -3.773 14.363 -18.891 1.00 0.00 C ATOM 0 H LEU A 14 -2.150 15.273 -16.372 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.524 15.053 -14.759 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.899 13.869 -16.274 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.402 15.319 -17.123 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.898 12.740 -17.513 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.368 12.235 -19.425 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.254 12.197 -17.882 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.420 13.596 -18.969 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.436 13.739 -19.719 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.411 15.160 -19.274 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.909 14.799 -18.390 1.00 0.00 H new ATOM 173 N LEU A 15 -3.899 12.638 -14.295 1.00 0.00 N ATOM 174 CA LEU A 15 -3.327 11.381 -13.824 1.00 0.00 C ATOM 175 C LEU A 15 -4.403 10.488 -13.213 1.00 0.00 C ATOM 176 O LEU A 15 -5.479 10.959 -12.846 1.00 0.00 O ATOM 177 CB LEU A 15 -2.228 11.651 -12.796 1.00 0.00 C ATOM 178 CG LEU A 15 -2.694 12.174 -11.437 1.00 0.00 C ATOM 179 CD1 LEU A 15 -3.758 13.246 -11.613 1.00 0.00 C ATOM 180 CD2 LEU A 15 -3.220 11.033 -10.578 1.00 0.00 C ATOM 0 H LEU A 15 -4.775 12.899 -13.842 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.895 10.864 -14.681 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.673 10.727 -12.636 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.530 12.373 -13.221 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.839 12.620 -10.929 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.077 13.606 -10.635 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.347 14.075 -12.189 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.614 12.826 -12.142 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.547 11.424 -9.615 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.062 10.557 -11.081 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.428 10.300 -10.422 1.00 0.00 H new ATOM 192 N ARG A 16 -4.102 9.198 -13.105 1.00 0.00 N ATOM 193 CA ARG A 16 -5.043 8.240 -12.538 1.00 0.00 C ATOM 194 C ARG A 16 -4.668 7.897 -11.099 1.00 0.00 C ATOM 195 O ARG A 16 -3.506 8.008 -10.705 1.00 0.00 O ATOM 196 CB ARG A 16 -5.079 6.966 -13.384 1.00 0.00 C ATOM 197 CG ARG A 16 -6.132 6.993 -14.480 1.00 0.00 C ATOM 198 CD ARG A 16 -5.781 7.999 -15.565 1.00 0.00 C ATOM 199 NE ARG A 16 -6.377 9.308 -15.312 1.00 0.00 N ATOM 200 CZ ARG A 16 -7.626 9.622 -15.638 1.00 0.00 C ATOM 201 NH1 ARG A 16 -8.406 8.726 -16.226 1.00 0.00 N ATOM 202 NH2 ARG A 16 -8.097 10.834 -15.374 1.00 0.00 N ATOM 0 H ARG A 16 -3.215 8.793 -13.402 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.033 8.697 -12.539 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.099 6.813 -13.837 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -5.266 6.112 -12.733 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -6.227 6.000 -14.920 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -7.101 7.244 -14.049 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.698 8.100 -15.628 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -6.123 7.625 -16.530 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.803 10.020 -14.860 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -8.048 7.793 -16.429 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -9.365 8.970 -16.475 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -7.500 11.526 -14.920 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -9.056 11.074 -15.625 1.00 0.00 H new ATOM 216 N THR A 17 -5.659 7.479 -10.318 1.00 0.00 N ATOM 217 CA THR A 17 -5.434 7.121 -8.923 1.00 0.00 C ATOM 218 C THR A 17 -5.556 5.616 -8.715 1.00 0.00 C ATOM 219 O THR A 17 -4.977 5.060 -7.781 1.00 0.00 O ATOM 220 CB THR A 17 -6.429 7.839 -7.991 1.00 0.00 C ATOM 221 OG1 THR A 17 -6.185 7.463 -6.631 1.00 0.00 O ATOM 222 CG2 THR A 17 -7.863 7.500 -8.367 1.00 0.00 C ATOM 0 H THR A 17 -6.626 7.380 -10.628 1.00 0.00 H new ATOM 0 HA THR A 17 -4.421 7.438 -8.675 1.00 0.00 H new ATOM 0 HB THR A 17 -6.286 8.914 -8.101 1.00 0.00 H new ATOM 0 HG1 THR A 17 -6.707 8.039 -6.034 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.547 8.018 -7.695 1.00 0.00 H new ATOM 0 HG22 THR A 17 -8.054 7.814 -9.393 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.017 6.424 -8.282 1.00 0.00 H new ATOM 230 N ASP A 18 -6.312 4.962 -9.590 1.00 0.00 N ATOM 231 CA ASP A 18 -6.509 3.519 -9.502 1.00 0.00 C ATOM 232 C ASP A 18 -5.401 2.774 -10.241 1.00 0.00 C ATOM 233 O ASP A 18 -5.666 1.860 -11.021 1.00 0.00 O ATOM 234 CB ASP A 18 -7.872 3.133 -10.079 1.00 0.00 C ATOM 235 CG ASP A 18 -8.245 3.965 -11.290 1.00 0.00 C ATOM 236 OD1 ASP A 18 -7.338 4.307 -12.078 1.00 0.00 O ATOM 237 OD2 ASP A 18 -9.444 4.274 -11.450 1.00 0.00 O ATOM 0 H ASP A 18 -6.798 5.407 -10.368 1.00 0.00 H new ATOM 0 HA ASP A 18 -6.475 3.235 -8.450 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -7.861 2.079 -10.356 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -8.636 3.253 -9.310 1.00 0.00 H new ATOM 242 N LYS A 19 -4.158 3.173 -9.990 1.00 0.00 N ATOM 243 CA LYS A 19 -3.009 2.544 -10.630 1.00 0.00 C ATOM 244 C LYS A 19 -1.868 2.356 -9.635 1.00 0.00 C ATOM 245 O LYS A 19 -1.724 3.128 -8.686 1.00 0.00 O ATOM 246 CB LYS A 19 -2.533 3.388 -11.814 1.00 0.00 C ATOM 247 CG LYS A 19 -2.014 4.758 -11.414 1.00 0.00 C ATOM 248 CD LYS A 19 -1.130 5.357 -12.496 1.00 0.00 C ATOM 249 CE LYS A 19 -0.083 6.290 -11.907 1.00 0.00 C ATOM 250 NZ LYS A 19 -0.692 7.542 -11.377 1.00 0.00 N ATOM 0 H LYS A 19 -3.921 3.929 -9.348 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.318 1.563 -10.992 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.745 2.849 -12.340 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.358 3.512 -12.516 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.855 5.424 -11.220 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.450 4.677 -10.485 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -0.637 4.557 -13.048 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.746 5.904 -13.209 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.450 5.778 -11.106 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.653 6.539 -12.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.262 7.776 -10.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.524 8.320 -12.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.716 7.405 -11.255 1.00 0.00 H new ATOM 264 N LEU A 20 -1.058 1.327 -9.859 1.00 0.00 N ATOM 265 CA LEU A 20 0.072 1.038 -8.982 1.00 0.00 C ATOM 266 C LEU A 20 1.300 0.634 -9.792 1.00 0.00 C ATOM 267 O LEU A 20 1.243 -0.289 -10.603 1.00 0.00 O ATOM 268 CB LEU A 20 -0.292 -0.074 -7.998 1.00 0.00 C ATOM 269 CG LEU A 20 -0.942 0.375 -6.688 1.00 0.00 C ATOM 270 CD1 LEU A 20 -1.738 -0.764 -6.070 1.00 0.00 C ATOM 271 CD2 LEU A 20 0.113 0.881 -5.715 1.00 0.00 C ATOM 0 H LEU A 20 -1.162 0.679 -10.640 1.00 0.00 H new ATOM 0 HA LEU A 20 0.309 1.944 -8.425 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.969 -0.767 -8.498 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.614 -0.631 -7.759 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.628 1.194 -6.906 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.193 -0.426 -5.139 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.519 -1.080 -6.762 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.073 -1.603 -5.865 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.368 1.196 -4.789 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.824 0.083 -5.502 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.639 1.727 -6.157 1.00 0.00 H new ATOM 283 N GLU A 21 2.409 1.331 -9.565 1.00 0.00 N ATOM 284 CA GLU A 21 3.650 1.044 -10.273 1.00 0.00 C ATOM 285 C GLU A 21 4.247 -0.282 -9.808 1.00 0.00 C ATOM 286 O GLU A 21 4.509 -0.474 -8.620 1.00 0.00 O ATOM 287 CB GLU A 21 4.660 2.174 -10.058 1.00 0.00 C ATOM 288 CG GLU A 21 4.488 3.334 -11.024 1.00 0.00 C ATOM 289 CD GLU A 21 3.561 4.407 -10.488 1.00 0.00 C ATOM 290 OE1 GLU A 21 2.385 4.092 -10.211 1.00 0.00 O ATOM 291 OE2 GLU A 21 4.012 5.563 -10.347 1.00 0.00 O ATOM 0 H GLU A 21 2.473 2.098 -8.896 1.00 0.00 H new ATOM 0 HA GLU A 21 3.422 0.968 -11.336 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.566 2.545 -9.037 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.668 1.773 -10.160 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.463 3.774 -11.235 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.096 2.959 -11.969 1.00 0.00 H new ATOM 298 N VAL A 22 4.460 -1.192 -10.752 1.00 0.00 N ATOM 299 CA VAL A 22 5.026 -2.499 -10.441 1.00 0.00 C ATOM 300 C VAL A 22 6.514 -2.392 -10.125 1.00 0.00 C ATOM 301 O VAL A 22 7.279 -1.796 -10.884 1.00 0.00 O ATOM 302 CB VAL A 22 4.829 -3.488 -11.605 1.00 0.00 C ATOM 303 CG1 VAL A 22 5.736 -4.698 -11.437 1.00 0.00 C ATOM 304 CG2 VAL A 22 3.371 -3.914 -11.701 1.00 0.00 C ATOM 0 H VAL A 22 4.249 -1.048 -11.740 1.00 0.00 H new ATOM 0 HA VAL A 22 4.497 -2.872 -9.564 1.00 0.00 H new ATOM 0 HB VAL A 22 5.100 -2.987 -12.534 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.583 -5.386 -12.269 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.776 -4.373 -11.421 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.499 -5.203 -10.500 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.250 -4.613 -12.529 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.071 -4.397 -10.771 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.746 -3.037 -11.872 1.00 0.00 H new ATOM 314 N CYS A 23 6.918 -2.975 -9.001 1.00 0.00 N ATOM 315 CA CYS A 23 8.314 -2.946 -8.584 1.00 0.00 C ATOM 316 C CYS A 23 9.200 -3.668 -9.596 1.00 0.00 C ATOM 317 O CYS A 23 8.773 -4.632 -10.233 1.00 0.00 O ATOM 318 CB CYS A 23 8.470 -3.588 -7.204 1.00 0.00 C ATOM 319 SG CYS A 23 9.832 -2.898 -6.212 1.00 0.00 S ATOM 0 H CYS A 23 6.298 -3.473 -8.363 1.00 0.00 H new ATOM 0 HA CYS A 23 8.629 -1.904 -8.530 1.00 0.00 H new ATOM 0 HB2 CYS A 23 7.537 -3.470 -6.653 1.00 0.00 H new ATOM 0 HB3 CYS A 23 8.632 -4.658 -7.330 1.00 0.00 H new ATOM 324 N ARG A 24 10.433 -3.195 -9.739 1.00 0.00 N ATOM 325 CA ARG A 24 11.378 -3.795 -10.673 1.00 0.00 C ATOM 326 C ARG A 24 12.207 -4.877 -9.988 1.00 0.00 C ATOM 327 O ARG A 24 12.462 -5.934 -10.565 1.00 0.00 O ATOM 328 CB ARG A 24 12.301 -2.723 -11.257 1.00 0.00 C ATOM 329 CG ARG A 24 11.724 -2.019 -12.474 1.00 0.00 C ATOM 330 CD ARG A 24 12.820 -1.554 -13.420 1.00 0.00 C ATOM 331 NE ARG A 24 13.695 -2.650 -13.825 1.00 0.00 N ATOM 332 CZ ARG A 24 14.648 -2.529 -14.742 1.00 0.00 C ATOM 333 NH1 ARG A 24 14.848 -1.366 -15.346 1.00 0.00 N ATOM 334 NH2 ARG A 24 15.405 -3.573 -15.057 1.00 0.00 N ATOM 0 H ARG A 24 10.801 -2.398 -9.220 1.00 0.00 H new ATOM 0 HA ARG A 24 10.809 -4.255 -11.481 1.00 0.00 H new ATOM 0 HB2 ARG A 24 12.516 -1.982 -10.487 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.251 -3.183 -11.530 1.00 0.00 H new ATOM 0 HG2 ARG A 24 11.050 -2.694 -13.001 1.00 0.00 H new ATOM 0 HG3 ARG A 24 11.131 -1.162 -12.153 1.00 0.00 H new ATOM 0 HD2 ARG A 24 12.369 -1.105 -14.305 1.00 0.00 H new ATOM 0 HD3 ARG A 24 13.412 -0.778 -12.935 1.00 0.00 H new ATOM 0 HE ARG A 24 13.567 -3.559 -13.379 1.00 0.00 H new ATOM 0 HH11 ARG A 24 14.269 -0.561 -15.107 1.00 0.00 H new ATOM 0 HH12 ARG A 24 15.581 -1.276 -16.050 1.00 0.00 H new ATOM 0 HH21 ARG A 24 15.255 -4.470 -14.595 1.00 0.00 H new ATOM 0 HH22 ARG A 24 16.137 -3.478 -15.762 1.00 0.00 H new ATOM 348 N GLU A 25 12.626 -4.605 -8.756 1.00 0.00 N ATOM 349 CA GLU A 25 13.427 -5.555 -7.995 1.00 0.00 C ATOM 350 C GLU A 25 12.662 -6.857 -7.773 1.00 0.00 C ATOM 351 O GLU A 25 13.138 -7.937 -8.123 1.00 0.00 O ATOM 352 CB GLU A 25 13.831 -4.952 -6.648 1.00 0.00 C ATOM 353 CG GLU A 25 14.846 -3.828 -6.764 1.00 0.00 C ATOM 354 CD GLU A 25 14.829 -2.900 -5.565 1.00 0.00 C ATOM 355 OE1 GLU A 25 14.707 -3.402 -4.428 1.00 0.00 O ATOM 356 OE2 GLU A 25 14.937 -1.671 -5.763 1.00 0.00 O ATOM 0 H GLU A 25 12.424 -3.735 -8.264 1.00 0.00 H new ATOM 0 HA GLU A 25 14.326 -5.776 -8.570 1.00 0.00 H new ATOM 0 HB2 GLU A 25 12.940 -4.575 -6.146 1.00 0.00 H new ATOM 0 HB3 GLU A 25 14.243 -5.739 -6.016 1.00 0.00 H new ATOM 0 HG2 GLU A 25 15.843 -4.254 -6.875 1.00 0.00 H new ATOM 0 HG3 GLU A 25 14.643 -3.252 -7.667 1.00 0.00 H new ATOM 363 N PHE A 26 11.474 -6.746 -7.188 1.00 0.00 N ATOM 364 CA PHE A 26 10.643 -7.913 -6.917 1.00 0.00 C ATOM 365 C PHE A 26 10.636 -8.864 -8.110 1.00 0.00 C ATOM 366 O PHE A 26 10.759 -10.078 -7.949 1.00 0.00 O ATOM 367 CB PHE A 26 9.213 -7.481 -6.587 1.00 0.00 C ATOM 368 CG PHE A 26 8.186 -8.540 -6.872 1.00 0.00 C ATOM 369 CD1 PHE A 26 7.842 -9.469 -5.902 1.00 0.00 C ATOM 370 CD2 PHE A 26 7.565 -8.607 -8.108 1.00 0.00 C ATOM 371 CE1 PHE A 26 6.898 -10.444 -6.162 1.00 0.00 C ATOM 372 CE2 PHE A 26 6.620 -9.580 -8.374 1.00 0.00 C ATOM 373 CZ PHE A 26 6.286 -10.499 -7.399 1.00 0.00 C ATOM 0 H PHE A 26 11.065 -5.859 -6.892 1.00 0.00 H new ATOM 0 HA PHE A 26 11.064 -8.437 -6.059 1.00 0.00 H new ATOM 0 HB2 PHE A 26 9.159 -7.208 -5.533 1.00 0.00 H new ATOM 0 HB3 PHE A 26 8.970 -6.587 -7.161 1.00 0.00 H new ATOM 0 HD1 PHE A 26 8.317 -9.430 -4.933 1.00 0.00 H new ATOM 0 HD2 PHE A 26 7.822 -7.890 -8.874 1.00 0.00 H new ATOM 0 HE1 PHE A 26 6.639 -11.163 -5.398 1.00 0.00 H new ATOM 0 HE2 PHE A 26 6.144 -9.621 -9.342 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.547 -11.260 -7.603 1.00 0.00 H new ATOM 383 N GLN A 27 10.492 -8.303 -9.306 1.00 0.00 N ATOM 384 CA GLN A 27 10.468 -9.102 -10.526 1.00 0.00 C ATOM 385 C GLN A 27 11.605 -10.117 -10.534 1.00 0.00 C ATOM 386 O GLN A 27 11.381 -11.313 -10.722 1.00 0.00 O ATOM 387 CB GLN A 27 10.567 -8.196 -11.755 1.00 0.00 C ATOM 388 CG GLN A 27 9.473 -7.144 -11.826 1.00 0.00 C ATOM 389 CD GLN A 27 9.145 -6.737 -13.249 1.00 0.00 C ATOM 390 OE1 GLN A 27 9.238 -7.544 -14.174 1.00 0.00 O ATOM 391 NE2 GLN A 27 8.758 -5.480 -13.432 1.00 0.00 N ATOM 0 H GLN A 27 10.390 -7.299 -9.457 1.00 0.00 H new ATOM 0 HA GLN A 27 9.523 -9.644 -10.558 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.537 -7.699 -11.752 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.526 -8.811 -12.654 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.573 -7.528 -11.346 1.00 0.00 H new ATOM 0 HG3 GLN A 27 9.784 -6.264 -11.263 1.00 0.00 H new ATOM 0 HE21 GLN A 27 8.695 -4.845 -12.636 1.00 0.00 H new ATOM 0 HE22 GLN A 27 8.524 -5.150 -14.368 1.00 0.00 H new ATOM 400 N ARG A 28 12.826 -9.633 -10.330 1.00 0.00 N ATOM 401 CA ARG A 28 13.999 -10.499 -10.316 1.00 0.00 C ATOM 402 C ARG A 28 14.271 -11.022 -8.909 1.00 0.00 C ATOM 403 O ARG A 28 15.402 -11.374 -8.575 1.00 0.00 O ATOM 404 CB ARG A 28 15.223 -9.743 -10.837 1.00 0.00 C ATOM 405 CG ARG A 28 15.728 -8.672 -9.885 1.00 0.00 C ATOM 406 CD ARG A 28 17.110 -8.178 -10.284 1.00 0.00 C ATOM 407 NE ARG A 28 17.065 -7.329 -11.472 1.00 0.00 N ATOM 408 CZ ARG A 28 18.149 -6.902 -12.110 1.00 0.00 C ATOM 409 NH1 ARG A 28 19.355 -7.243 -11.678 1.00 0.00 N ATOM 410 NH2 ARG A 28 18.027 -6.132 -13.184 1.00 0.00 N ATOM 0 H ARG A 28 13.029 -8.646 -10.172 1.00 0.00 H new ATOM 0 HA ARG A 28 13.801 -11.349 -10.969 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.026 -10.456 -11.027 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.974 -9.280 -11.792 1.00 0.00 H new ATOM 0 HG2 ARG A 28 15.030 -7.835 -9.875 1.00 0.00 H new ATOM 0 HG3 ARG A 28 15.762 -9.071 -8.871 1.00 0.00 H new ATOM 0 HD2 ARG A 28 17.549 -7.621 -9.456 1.00 0.00 H new ATOM 0 HD3 ARG A 28 17.760 -9.032 -10.473 1.00 0.00 H new ATOM 0 HE ARG A 28 16.152 -7.049 -11.831 1.00 0.00 H new ATOM 0 HH11 ARG A 28 19.453 -7.835 -10.853 1.00 0.00 H new ATOM 0 HH12 ARG A 28 20.185 -6.913 -12.170 1.00 0.00 H new ATOM 0 HH21 ARG A 28 17.101 -5.868 -13.520 1.00 0.00 H new ATOM 0 HH22 ARG A 28 18.860 -5.804 -13.674 1.00 0.00 H new ATOM 424 N GLY A 29 13.227 -11.069 -8.088 1.00 0.00 N ATOM 425 CA GLY A 29 13.374 -11.549 -6.726 1.00 0.00 C ATOM 426 C GLY A 29 14.490 -10.844 -5.980 1.00 0.00 C ATOM 427 O GLY A 29 15.299 -11.484 -5.310 1.00 0.00 O ATOM 0 H GLY A 29 12.281 -10.783 -8.342 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.436 -11.405 -6.190 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.572 -12.621 -6.741 1.00 0.00 H new ATOM 431 N ASN A 30 14.534 -9.521 -6.098 1.00 0.00 N ATOM 432 CA ASN A 30 15.560 -8.728 -5.431 1.00 0.00 C ATOM 433 C ASN A 30 14.962 -7.914 -4.288 1.00 0.00 C ATOM 434 O ASN A 30 15.546 -7.815 -3.209 1.00 0.00 O ATOM 435 CB ASN A 30 16.245 -7.796 -6.432 1.00 0.00 C ATOM 436 CG ASN A 30 17.308 -6.930 -5.783 1.00 0.00 C ATOM 437 OD1 ASN A 30 17.139 -5.719 -5.645 1.00 0.00 O ATOM 438 ND2 ASN A 30 18.411 -7.551 -5.381 1.00 0.00 N ATOM 0 H ASN A 30 13.871 -8.976 -6.649 1.00 0.00 H new ATOM 0 HA ASN A 30 16.300 -9.413 -5.017 1.00 0.00 H new ATOM 0 HB2 ASN A 30 16.699 -8.390 -7.225 1.00 0.00 H new ATOM 0 HB3 ASN A 30 15.496 -7.157 -6.901 1.00 0.00 H new ATOM 0 HD21 ASN A 30 19.161 -7.022 -4.937 1.00 0.00 H new ATOM 0 HD22 ASN A 30 18.508 -8.557 -5.516 1.00 0.00 H new ATOM 445 N CYS A 31 13.792 -7.333 -4.533 1.00 0.00 N ATOM 446 CA CYS A 31 13.112 -6.527 -3.525 1.00 0.00 C ATOM 447 C CYS A 31 12.961 -7.303 -2.220 1.00 0.00 C ATOM 448 O CYS A 31 12.464 -8.428 -2.209 1.00 0.00 O ATOM 449 CB CYS A 31 11.737 -6.090 -4.034 1.00 0.00 C ATOM 450 SG CYS A 31 11.091 -4.588 -3.232 1.00 0.00 S ATOM 0 H CYS A 31 13.295 -7.405 -5.421 1.00 0.00 H new ATOM 0 HA CYS A 31 13.719 -5.642 -3.333 1.00 0.00 H new ATOM 0 HB2 CYS A 31 11.797 -5.918 -5.109 1.00 0.00 H new ATOM 0 HB3 CYS A 31 11.029 -6.904 -3.880 1.00 0.00 H new ATOM 455 N ALA A 32 13.392 -6.692 -1.122 1.00 0.00 N ATOM 456 CA ALA A 32 13.303 -7.323 0.189 1.00 0.00 C ATOM 457 C ALA A 32 12.178 -6.711 1.018 1.00 0.00 C ATOM 458 O ALA A 32 11.658 -7.342 1.938 1.00 0.00 O ATOM 459 CB ALA A 32 14.629 -7.202 0.925 1.00 0.00 C ATOM 0 H ALA A 32 13.807 -5.760 -1.114 1.00 0.00 H new ATOM 0 HA ALA A 32 13.077 -8.379 0.041 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.547 -7.678 1.902 1.00 0.00 H new ATOM 0 HB2 ALA A 32 15.412 -7.693 0.347 1.00 0.00 H new ATOM 0 HB3 ALA A 32 14.879 -6.149 1.054 1.00 0.00 H new ATOM 465 N ARG A 33 11.808 -5.479 0.686 1.00 0.00 N ATOM 466 CA ARG A 33 10.746 -4.781 1.400 1.00 0.00 C ATOM 467 C ARG A 33 9.392 -5.432 1.133 1.00 0.00 C ATOM 468 O ARG A 33 8.468 -5.319 1.938 1.00 0.00 O ATOM 469 CB ARG A 33 10.706 -3.308 0.988 1.00 0.00 C ATOM 470 CG ARG A 33 11.777 -2.460 1.654 1.00 0.00 C ATOM 471 CD ARG A 33 11.356 -1.001 1.744 1.00 0.00 C ATOM 472 NE ARG A 33 12.498 -0.113 1.936 1.00 0.00 N ATOM 473 CZ ARG A 33 12.413 1.213 1.902 1.00 0.00 C ATOM 474 NH1 ARG A 33 11.244 1.799 1.684 1.00 0.00 N ATOM 475 NH2 ARG A 33 13.498 1.954 2.086 1.00 0.00 N ATOM 0 H ARG A 33 12.228 -4.943 -0.073 1.00 0.00 H new ATOM 0 HA ARG A 33 10.957 -4.846 2.467 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.820 -3.239 -0.094 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.726 -2.898 1.232 1.00 0.00 H new ATOM 0 HG2 ARG A 33 11.977 -2.844 2.654 1.00 0.00 H new ATOM 0 HG3 ARG A 33 12.707 -2.538 1.090 1.00 0.00 H new ATOM 0 HD2 ARG A 33 10.827 -0.720 0.833 1.00 0.00 H new ATOM 0 HD3 ARG A 33 10.657 -0.876 2.571 1.00 0.00 H new ATOM 0 HE ARG A 33 13.412 -0.533 2.106 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.408 1.232 1.542 1.00 0.00 H new ATOM 0 HH12 ARG A 33 11.181 2.817 1.658 1.00 0.00 H new ATOM 0 HH21 ARG A 33 14.399 1.506 2.254 1.00 0.00 H new ATOM 0 HH22 ARG A 33 13.431 2.971 2.060 1.00 0.00 H new ATOM 489 N GLY A 34 9.283 -6.114 -0.003 1.00 0.00 N ATOM 490 CA GLY A 34 8.039 -6.772 -0.356 1.00 0.00 C ATOM 491 C GLY A 34 6.883 -5.799 -0.483 1.00 0.00 C ATOM 492 O GLY A 34 7.000 -4.635 -0.103 1.00 0.00 O ATOM 0 H GLY A 34 10.034 -6.222 -0.685 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.168 -7.303 -1.299 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.799 -7.519 0.401 1.00 0.00 H new ATOM 496 N GLU A 35 5.765 -6.277 -1.021 1.00 0.00 N ATOM 497 CA GLU A 35 4.585 -5.439 -1.199 1.00 0.00 C ATOM 498 C GLU A 35 4.074 -4.927 0.145 1.00 0.00 C ATOM 499 O GLU A 35 3.182 -4.080 0.201 1.00 0.00 O ATOM 500 CB GLU A 35 3.481 -6.220 -1.914 1.00 0.00 C ATOM 501 CG GLU A 35 3.232 -7.599 -1.326 1.00 0.00 C ATOM 502 CD GLU A 35 1.805 -8.070 -1.525 1.00 0.00 C ATOM 503 OE1 GLU A 35 0.881 -7.245 -1.362 1.00 0.00 O ATOM 504 OE2 GLU A 35 1.611 -9.261 -1.843 1.00 0.00 O ATOM 0 H GLU A 35 5.652 -7.239 -1.341 1.00 0.00 H new ATOM 0 HA GLU A 35 4.868 -4.582 -1.811 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.556 -5.645 -1.874 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.745 -6.325 -2.966 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.914 -8.314 -1.786 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.459 -7.582 -0.260 1.00 0.00 H new ATOM 511 N THR A 36 4.644 -5.449 1.226 1.00 0.00 N ATOM 512 CA THR A 36 4.246 -5.047 2.569 1.00 0.00 C ATOM 513 C THR A 36 4.963 -3.772 2.998 1.00 0.00 C ATOM 514 O THR A 36 4.333 -2.815 3.446 1.00 0.00 O ATOM 515 CB THR A 36 4.538 -6.157 3.597 1.00 0.00 C ATOM 516 OG1 THR A 36 5.945 -6.418 3.650 1.00 0.00 O ATOM 517 CG2 THR A 36 3.793 -7.434 3.240 1.00 0.00 C ATOM 0 H THR A 36 5.383 -6.151 1.198 1.00 0.00 H new ATOM 0 HA THR A 36 3.172 -4.863 2.538 1.00 0.00 H new ATOM 0 HB THR A 36 4.195 -5.816 4.574 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.122 -7.123 4.307 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.014 -8.203 3.980 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.721 -7.239 3.229 1.00 0.00 H new ATOM 0 HG23 THR A 36 4.109 -7.776 2.255 1.00 0.00 H new ATOM 525 N ASP A 37 6.284 -3.766 2.856 1.00 0.00 N ATOM 526 CA ASP A 37 7.087 -2.607 3.227 1.00 0.00 C ATOM 527 C ASP A 37 7.480 -1.800 1.993 1.00 0.00 C ATOM 528 O ASP A 37 8.262 -0.853 2.080 1.00 0.00 O ATOM 529 CB ASP A 37 8.342 -3.049 3.982 1.00 0.00 C ATOM 530 CG ASP A 37 9.061 -1.888 4.640 1.00 0.00 C ATOM 531 OD1 ASP A 37 8.391 -0.889 4.975 1.00 0.00 O ATOM 532 OD2 ASP A 37 10.294 -1.979 4.819 1.00 0.00 O ATOM 0 H ASP A 37 6.821 -4.551 2.487 1.00 0.00 H new ATOM 0 HA ASP A 37 6.485 -1.973 3.878 1.00 0.00 H new ATOM 0 HB2 ASP A 37 8.066 -3.780 4.742 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.021 -3.548 3.291 1.00 0.00 H new ATOM 537 N CYS A 38 6.932 -2.182 0.844 1.00 0.00 N ATOM 538 CA CYS A 38 7.225 -1.497 -0.409 1.00 0.00 C ATOM 539 C CYS A 38 5.991 -0.767 -0.931 1.00 0.00 C ATOM 540 O CYS A 38 4.896 -1.329 -0.973 1.00 0.00 O ATOM 541 CB CYS A 38 7.723 -2.495 -1.457 1.00 0.00 C ATOM 542 SG CYS A 38 8.575 -1.725 -2.871 1.00 0.00 S ATOM 0 H CYS A 38 6.282 -2.963 0.755 1.00 0.00 H new ATOM 0 HA CYS A 38 8.007 -0.762 -0.218 1.00 0.00 H new ATOM 0 HB2 CYS A 38 8.402 -3.200 -0.978 1.00 0.00 H new ATOM 0 HB3 CYS A 38 6.875 -3.070 -1.827 1.00 0.00 H new ATOM 547 N ARG A 39 6.176 0.488 -1.329 1.00 0.00 N ATOM 548 CA ARG A 39 5.079 1.295 -1.848 1.00 0.00 C ATOM 549 C ARG A 39 4.568 0.732 -3.170 1.00 0.00 C ATOM 550 O ARG A 39 3.378 0.820 -3.477 1.00 0.00 O ATOM 551 CB ARG A 39 5.529 2.744 -2.038 1.00 0.00 C ATOM 552 CG ARG A 39 6.611 2.912 -3.092 1.00 0.00 C ATOM 553 CD ARG A 39 6.870 4.379 -3.396 1.00 0.00 C ATOM 554 NE ARG A 39 7.782 4.986 -2.429 1.00 0.00 N ATOM 555 CZ ARG A 39 7.392 5.474 -1.257 1.00 0.00 C ATOM 556 NH1 ARG A 39 6.113 5.427 -0.908 1.00 0.00 N ATOM 557 NH2 ARG A 39 8.281 6.011 -0.431 1.00 0.00 N ATOM 0 H ARG A 39 7.076 0.967 -1.302 1.00 0.00 H new ATOM 0 HA ARG A 39 4.266 1.267 -1.123 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.666 3.350 -2.315 1.00 0.00 H new ATOM 0 HB3 ARG A 39 5.897 3.129 -1.087 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.532 2.443 -2.747 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.314 2.397 -4.006 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.289 4.473 -4.398 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.925 4.922 -3.393 1.00 0.00 H new ATOM 0 HE ARG A 39 8.772 5.038 -2.667 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.427 5.015 -1.540 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.816 5.802 -0.007 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.265 6.049 -0.696 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.980 6.385 0.469 1.00 0.00 H new ATOM 571 N PHE A 40 5.474 0.153 -3.951 1.00 0.00 N ATOM 572 CA PHE A 40 5.116 -0.423 -5.242 1.00 0.00 C ATOM 573 C PHE A 40 4.466 -1.793 -5.064 1.00 0.00 C ATOM 574 O PHE A 40 4.854 -2.567 -4.191 1.00 0.00 O ATOM 575 CB PHE A 40 6.355 -0.546 -6.131 1.00 0.00 C ATOM 576 CG PHE A 40 7.046 0.764 -6.380 1.00 0.00 C ATOM 577 CD1 PHE A 40 8.032 1.217 -5.519 1.00 0.00 C ATOM 578 CD2 PHE A 40 6.709 1.543 -7.475 1.00 0.00 C ATOM 579 CE1 PHE A 40 8.669 2.423 -5.746 1.00 0.00 C ATOM 580 CE2 PHE A 40 7.342 2.750 -7.707 1.00 0.00 C ATOM 581 CZ PHE A 40 8.324 3.189 -6.842 1.00 0.00 C ATOM 0 H PHE A 40 6.462 0.070 -3.712 1.00 0.00 H new ATOM 0 HA PHE A 40 4.398 0.242 -5.722 1.00 0.00 H new ATOM 0 HB2 PHE A 40 7.059 -1.236 -5.666 1.00 0.00 H new ATOM 0 HB3 PHE A 40 6.065 -0.982 -7.087 1.00 0.00 H new ATOM 0 HD1 PHE A 40 8.306 0.622 -4.661 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.942 1.203 -8.156 1.00 0.00 H new ATOM 0 HE1 PHE A 40 9.436 2.766 -5.067 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.069 3.348 -8.564 1.00 0.00 H new ATOM 0 HZ PHE A 40 8.822 4.130 -7.022 1.00 0.00 H new ATOM 591 N ALA A 41 3.474 -2.083 -5.899 1.00 0.00 N ATOM 592 CA ALA A 41 2.771 -3.358 -5.837 1.00 0.00 C ATOM 593 C ALA A 41 3.580 -4.465 -6.503 1.00 0.00 C ATOM 594 O ALA A 41 4.200 -4.253 -7.546 1.00 0.00 O ATOM 595 CB ALA A 41 1.401 -3.238 -6.488 1.00 0.00 C ATOM 0 H ALA A 41 3.139 -1.452 -6.627 1.00 0.00 H new ATOM 0 HA ALA A 41 2.641 -3.621 -4.787 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.887 -4.198 -6.434 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.814 -2.483 -5.965 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.518 -2.947 -7.532 1.00 0.00 H new ATOM 601 N HIS A 42 3.572 -5.646 -5.894 1.00 0.00 N ATOM 602 CA HIS A 42 4.307 -6.787 -6.429 1.00 0.00 C ATOM 603 C HIS A 42 3.352 -7.813 -7.032 1.00 0.00 C ATOM 604 O HIS A 42 2.730 -8.608 -6.327 1.00 0.00 O ATOM 605 CB HIS A 42 5.148 -7.439 -5.332 1.00 0.00 C ATOM 606 CG HIS A 42 6.241 -6.558 -4.811 1.00 0.00 C ATOM 607 ND1 HIS A 42 7.276 -7.025 -4.028 1.00 0.00 N ATOM 608 CD2 HIS A 42 6.459 -5.231 -4.968 1.00 0.00 C ATOM 609 CE1 HIS A 42 8.081 -6.023 -3.724 1.00 0.00 C ATOM 610 NE2 HIS A 42 7.608 -4.923 -4.282 1.00 0.00 N ATOM 0 H HIS A 42 3.065 -5.838 -5.030 1.00 0.00 H new ATOM 0 HA HIS A 42 4.969 -6.425 -7.216 1.00 0.00 H new ATOM 0 HB2 HIS A 42 4.496 -7.722 -4.506 1.00 0.00 H new ATOM 0 HB3 HIS A 42 5.587 -8.358 -5.720 1.00 0.00 H new ATOM 0 HD1 HIS A 42 7.400 -7.993 -3.730 1.00 0.00 H new ATOM 0 HD2 HIS A 42 5.844 -4.543 -5.528 1.00 0.00 H new ATOM 0 HE1 HIS A 42 8.975 -6.091 -3.121 1.00 0.00 H new ATOM 618 N PRO A 43 3.233 -7.797 -8.368 1.00 0.00 N ATOM 619 CA PRO A 43 2.356 -8.720 -9.096 1.00 0.00 C ATOM 620 C PRO A 43 2.868 -10.156 -9.061 1.00 0.00 C ATOM 621 O PRO A 43 4.059 -10.404 -9.245 1.00 0.00 O ATOM 622 CB PRO A 43 2.380 -8.178 -10.527 1.00 0.00 C ATOM 623 CG PRO A 43 3.676 -7.452 -10.635 1.00 0.00 C ATOM 624 CD PRO A 43 3.945 -6.878 -9.272 1.00 0.00 C ATOM 0 HA PRO A 43 1.358 -8.764 -8.659 1.00 0.00 H new ATOM 0 HB2 PRO A 43 2.316 -8.985 -11.257 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.537 -7.513 -10.713 1.00 0.00 H new ATOM 0 HG2 PRO A 43 4.477 -8.126 -10.939 1.00 0.00 H new ATOM 0 HG3 PRO A 43 3.620 -6.664 -11.386 1.00 0.00 H new ATOM 0 HD2 PRO A 43 5.012 -6.846 -9.053 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.571 -5.858 -9.185 1.00 0.00 H new ATOM 632 N ALA A 44 1.961 -11.097 -8.823 1.00 0.00 N ATOM 633 CA ALA A 44 2.321 -12.509 -8.766 1.00 0.00 C ATOM 634 C ALA A 44 2.104 -13.185 -10.116 1.00 0.00 C ATOM 635 O ALA A 44 2.926 -13.987 -10.559 1.00 0.00 O ATOM 636 CB ALA A 44 1.519 -13.215 -7.684 1.00 0.00 C ATOM 0 H ALA A 44 0.971 -10.908 -8.666 1.00 0.00 H new ATOM 0 HA ALA A 44 3.381 -12.579 -8.520 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.798 -14.268 -7.653 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.728 -12.756 -6.718 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.455 -13.128 -7.905 1.00 0.00 H new ATOM 642 N ASP A 45 0.991 -12.858 -10.764 1.00 0.00 N ATOM 643 CA ASP A 45 0.665 -13.434 -12.063 1.00 0.00 C ATOM 644 C ASP A 45 1.737 -13.092 -13.093 1.00 0.00 C ATOM 645 O ASP A 45 2.630 -12.286 -12.831 1.00 0.00 O ATOM 646 CB ASP A 45 -0.698 -12.931 -12.541 1.00 0.00 C ATOM 647 CG ASP A 45 -1.843 -13.500 -11.726 1.00 0.00 C ATOM 648 OD1 ASP A 45 -2.288 -14.626 -12.034 1.00 0.00 O ATOM 649 OD2 ASP A 45 -2.294 -12.820 -10.781 1.00 0.00 O ATOM 0 H ASP A 45 0.299 -12.197 -10.411 1.00 0.00 H new ATOM 0 HA ASP A 45 0.625 -14.518 -11.952 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -0.721 -11.843 -12.484 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -0.834 -13.198 -13.589 1.00 0.00 H new ATOM 654 N SER A 46 1.643 -13.711 -14.266 1.00 0.00 N ATOM 655 CA SER A 46 2.607 -13.476 -15.334 1.00 0.00 C ATOM 656 C SER A 46 2.077 -12.446 -16.327 1.00 0.00 C ATOM 657 O SER A 46 2.776 -11.500 -16.692 1.00 0.00 O ATOM 658 CB SER A 46 2.926 -14.784 -16.059 1.00 0.00 C ATOM 659 OG SER A 46 3.620 -15.682 -15.211 1.00 0.00 O ATOM 0 H SER A 46 0.909 -14.379 -14.500 1.00 0.00 H new ATOM 0 HA SER A 46 3.521 -13.086 -14.886 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.001 -15.246 -16.405 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.528 -14.576 -16.943 1.00 0.00 H new ATOM 0 HG SER A 46 3.810 -16.511 -15.698 1.00 0.00 H new ATOM 665 N THR A 47 0.836 -12.638 -16.762 1.00 0.00 N ATOM 666 CA THR A 47 0.211 -11.728 -17.714 1.00 0.00 C ATOM 667 C THR A 47 -0.478 -10.571 -16.998 1.00 0.00 C ATOM 668 O THR A 47 -1.635 -10.257 -17.277 1.00 0.00 O ATOM 669 CB THR A 47 -0.820 -12.458 -18.595 1.00 0.00 C ATOM 670 OG1 THR A 47 -1.727 -13.203 -17.774 1.00 0.00 O ATOM 671 CG2 THR A 47 -0.129 -13.395 -19.574 1.00 0.00 C ATOM 0 H THR A 47 0.244 -13.415 -16.470 1.00 0.00 H new ATOM 0 HA THR A 47 1.008 -11.337 -18.347 1.00 0.00 H new ATOM 0 HB THR A 47 -1.374 -11.710 -19.162 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.380 -13.663 -18.342 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.878 -13.899 -20.185 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.538 -12.821 -20.217 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.448 -14.137 -19.022 1.00 0.00 H new ATOM 679 N MET A 48 0.241 -9.940 -16.076 1.00 0.00 N ATOM 680 CA MET A 48 -0.301 -8.816 -15.322 1.00 0.00 C ATOM 681 C MET A 48 0.544 -7.563 -15.530 1.00 0.00 C ATOM 682 O MET A 48 0.017 -6.452 -15.595 1.00 0.00 O ATOM 683 CB MET A 48 -0.368 -9.158 -13.832 1.00 0.00 C ATOM 684 CG MET A 48 -1.462 -8.413 -13.085 1.00 0.00 C ATOM 685 SD MET A 48 -1.977 -9.261 -11.580 1.00 0.00 S ATOM 686 CE MET A 48 -3.758 -9.236 -11.769 1.00 0.00 C ATOM 0 H MET A 48 1.200 -10.188 -15.833 1.00 0.00 H new ATOM 0 HA MET A 48 -1.309 -8.618 -15.688 1.00 0.00 H new ATOM 0 HB2 MET A 48 -0.529 -10.230 -13.721 1.00 0.00 H new ATOM 0 HB3 MET A 48 0.594 -8.931 -13.372 1.00 0.00 H new ATOM 0 HG2 MET A 48 -1.108 -7.414 -12.831 1.00 0.00 H new ATOM 0 HG3 MET A 48 -2.324 -8.289 -13.740 1.00 0.00 H new ATOM 0 HE1 MET A 48 -4.222 -9.726 -10.913 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.103 -8.204 -11.827 1.00 0.00 H new ATOM 0 HE3 MET A 48 -4.034 -9.763 -12.682 1.00 0.00 H new ATOM 696 N ILE A 49 1.855 -7.750 -15.634 1.00 0.00 N ATOM 697 CA ILE A 49 2.771 -6.634 -15.836 1.00 0.00 C ATOM 698 C ILE A 49 2.818 -6.220 -17.303 1.00 0.00 C ATOM 699 O ILE A 49 2.743 -7.061 -18.199 1.00 0.00 O ATOM 700 CB ILE A 49 4.196 -6.984 -15.367 1.00 0.00 C ATOM 701 CG1 ILE A 49 4.194 -7.339 -13.879 1.00 0.00 C ATOM 702 CG2 ILE A 49 5.143 -5.824 -15.639 1.00 0.00 C ATOM 703 CD1 ILE A 49 5.410 -8.126 -13.444 1.00 0.00 C ATOM 0 H ILE A 49 2.307 -8.663 -15.582 1.00 0.00 H new ATOM 0 HA ILE A 49 2.394 -5.804 -15.239 1.00 0.00 H new ATOM 0 HB ILE A 49 4.544 -7.851 -15.928 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.138 -6.421 -13.295 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.298 -7.916 -13.653 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.146 -6.086 -15.302 1.00 0.00 H new ATOM 0 HG22 ILE A 49 5.163 -5.614 -16.708 1.00 0.00 H new ATOM 0 HG23 ILE A 49 4.799 -4.940 -15.102 1.00 0.00 H new ATOM 0 HD11 ILE A 49 5.341 -8.342 -12.378 1.00 0.00 H new ATOM 0 HD12 ILE A 49 5.457 -9.061 -14.002 1.00 0.00 H new ATOM 0 HD13 ILE A 49 6.310 -7.542 -13.638 1.00 0.00 H new ATOM 715 N ASP A 50 2.945 -4.919 -17.541 1.00 0.00 N ATOM 716 CA ASP A 50 3.005 -4.393 -18.899 1.00 0.00 C ATOM 717 C ASP A 50 4.380 -3.801 -19.192 1.00 0.00 C ATOM 718 O ASP A 50 4.849 -2.910 -18.482 1.00 0.00 O ATOM 719 CB ASP A 50 1.924 -3.331 -19.106 1.00 0.00 C ATOM 720 CG ASP A 50 1.440 -3.269 -20.541 1.00 0.00 C ATOM 721 OD1 ASP A 50 1.538 -4.296 -21.246 1.00 0.00 O ATOM 722 OD2 ASP A 50 0.962 -2.194 -20.960 1.00 0.00 O ATOM 0 H ASP A 50 3.008 -4.210 -16.811 1.00 0.00 H new ATOM 0 HA ASP A 50 2.830 -5.218 -19.590 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.080 -3.543 -18.450 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.316 -2.356 -18.816 1.00 0.00 H new ATOM 727 N THR A 51 5.023 -4.301 -20.242 1.00 0.00 N ATOM 728 CA THR A 51 6.345 -3.824 -20.628 1.00 0.00 C ATOM 729 C THR A 51 6.259 -2.476 -21.334 1.00 0.00 C ATOM 730 O THR A 51 7.251 -1.976 -21.863 1.00 0.00 O ATOM 731 CB THR A 51 7.059 -4.829 -21.551 1.00 0.00 C ATOM 732 OG1 THR A 51 6.311 -4.999 -22.761 1.00 0.00 O ATOM 733 CG2 THR A 51 7.227 -6.174 -20.860 1.00 0.00 C ATOM 0 H THR A 51 4.649 -5.037 -20.841 1.00 0.00 H new ATOM 0 HA THR A 51 6.921 -3.714 -19.709 1.00 0.00 H new ATOM 0 HB THR A 51 8.047 -4.434 -21.787 1.00 0.00 H new ATOM 0 HG1 THR A 51 6.772 -5.638 -23.344 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.734 -6.867 -21.531 1.00 0.00 H new ATOM 0 HG22 THR A 51 7.821 -6.046 -19.955 1.00 0.00 H new ATOM 0 HG23 THR A 51 6.247 -6.573 -20.598 1.00 0.00 H new ATOM 741 N SER A 52 5.065 -1.890 -21.338 1.00 0.00 N ATOM 742 CA SER A 52 4.848 -0.600 -21.983 1.00 0.00 C ATOM 743 C SER A 52 4.916 0.534 -20.964 1.00 0.00 C ATOM 744 O SER A 52 5.483 1.593 -21.235 1.00 0.00 O ATOM 745 CB SER A 52 3.493 -0.583 -22.693 1.00 0.00 C ATOM 746 OG SER A 52 3.303 0.631 -23.399 1.00 0.00 O ATOM 0 H SER A 52 4.233 -2.288 -20.902 1.00 0.00 H new ATOM 0 HA SER A 52 5.638 -0.451 -22.720 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.431 -1.423 -23.385 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.694 -0.711 -21.962 1.00 0.00 H new ATOM 0 HG SER A 52 2.431 0.617 -23.845 1.00 0.00 H new ATOM 752 N ASP A 53 4.334 0.304 -19.793 1.00 0.00 N ATOM 753 CA ASP A 53 4.329 1.305 -18.732 1.00 0.00 C ATOM 754 C ASP A 53 4.774 0.695 -17.407 1.00 0.00 C ATOM 755 O ASP A 53 5.382 1.369 -16.576 1.00 0.00 O ATOM 756 CB ASP A 53 2.934 1.914 -18.584 1.00 0.00 C ATOM 757 CG ASP A 53 2.555 2.787 -19.765 1.00 0.00 C ATOM 758 OD1 ASP A 53 3.464 3.388 -20.374 1.00 0.00 O ATOM 759 OD2 ASP A 53 1.349 2.869 -20.079 1.00 0.00 O ATOM 0 H ASP A 53 3.859 -0.567 -19.554 1.00 0.00 H new ATOM 0 HA ASP A 53 5.034 2.091 -19.004 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.201 1.114 -18.477 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.895 2.507 -17.670 1.00 0.00 H new ATOM 764 N ASN A 54 4.467 -0.584 -17.217 1.00 0.00 N ATOM 765 CA ASN A 54 4.835 -1.284 -15.992 1.00 0.00 C ATOM 766 C ASN A 54 3.946 -0.851 -14.830 1.00 0.00 C ATOM 767 O ASN A 54 4.428 -0.595 -13.726 1.00 0.00 O ATOM 768 CB ASN A 54 6.303 -1.023 -15.651 1.00 0.00 C ATOM 769 CG ASN A 54 6.916 -2.145 -14.835 1.00 0.00 C ATOM 770 OD1 ASN A 54 6.614 -3.319 -15.049 1.00 0.00 O ATOM 771 ND2 ASN A 54 7.783 -1.787 -13.895 1.00 0.00 N ATOM 0 H ASN A 54 3.965 -1.156 -17.895 1.00 0.00 H new ATOM 0 HA ASN A 54 4.692 -2.352 -16.157 1.00 0.00 H new ATOM 0 HB2 ASN A 54 6.870 -0.896 -16.573 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.384 -0.088 -15.096 1.00 0.00 H new ATOM 0 HD21 ASN A 54 8.229 -2.498 -13.315 1.00 0.00 H new ATOM 0 HD22 ASN A 54 8.003 -0.801 -13.753 1.00 0.00 H new ATOM 778 N THR A 55 2.644 -0.770 -15.086 1.00 0.00 N ATOM 779 CA THR A 55 1.688 -0.366 -14.062 1.00 0.00 C ATOM 780 C THR A 55 0.459 -1.269 -14.072 1.00 0.00 C ATOM 781 O THR A 55 0.025 -1.733 -15.127 1.00 0.00 O ATOM 782 CB THR A 55 1.239 1.094 -14.257 1.00 0.00 C ATOM 783 OG1 THR A 55 0.819 1.302 -15.610 1.00 0.00 O ATOM 784 CG2 THR A 55 2.367 2.057 -13.918 1.00 0.00 C ATOM 0 H THR A 55 2.227 -0.979 -15.993 1.00 0.00 H new ATOM 0 HA THR A 55 2.196 -0.457 -13.102 1.00 0.00 H new ATOM 0 HB THR A 55 0.403 1.286 -13.584 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.534 2.232 -15.725 1.00 0.00 H new ATOM 0 HG21 THR A 55 2.026 3.082 -14.063 1.00 0.00 H new ATOM 0 HG22 THR A 55 2.665 1.917 -12.879 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.219 1.862 -14.569 1.00 0.00 H new ATOM 792 N VAL A 56 -0.099 -1.514 -12.890 1.00 0.00 N ATOM 793 CA VAL A 56 -1.279 -2.360 -12.763 1.00 0.00 C ATOM 794 C VAL A 56 -2.497 -1.545 -12.343 1.00 0.00 C ATOM 795 O VAL A 56 -2.373 -0.536 -11.648 1.00 0.00 O ATOM 796 CB VAL A 56 -1.053 -3.489 -11.740 1.00 0.00 C ATOM 797 CG1 VAL A 56 -0.014 -4.475 -12.253 1.00 0.00 C ATOM 798 CG2 VAL A 56 -0.635 -2.913 -10.395 1.00 0.00 C ATOM 0 H VAL A 56 0.248 -1.138 -12.007 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.460 -2.800 -13.744 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.992 -4.026 -11.604 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.132 -5.265 -11.517 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.358 -4.912 -13.191 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.930 -3.955 -12.420 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.480 -3.725 -9.684 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.291 -2.351 -10.512 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.417 -2.251 -10.024 1.00 0.00 H new ATOM 808 N THR A 57 -3.675 -1.989 -12.769 1.00 0.00 N ATOM 809 CA THR A 57 -4.917 -1.300 -12.438 1.00 0.00 C ATOM 810 C THR A 57 -5.349 -1.604 -11.008 1.00 0.00 C ATOM 811 O THR A 57 -5.015 -2.653 -10.457 1.00 0.00 O ATOM 812 CB THR A 57 -6.052 -1.696 -13.400 1.00 0.00 C ATOM 813 OG1 THR A 57 -5.510 -2.056 -14.676 1.00 0.00 O ATOM 814 CG2 THR A 57 -7.042 -0.553 -13.569 1.00 0.00 C ATOM 0 H THR A 57 -3.796 -2.823 -13.344 1.00 0.00 H new ATOM 0 HA THR A 57 -4.723 -0.232 -12.537 1.00 0.00 H new ATOM 0 HB THR A 57 -6.577 -2.551 -12.974 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.238 -2.308 -15.281 1.00 0.00 H new ATOM 0 HG21 THR A 57 -7.835 -0.856 -14.253 1.00 0.00 H new ATOM 0 HG22 THR A 57 -7.475 -0.300 -12.601 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.527 0.318 -13.974 1.00 0.00 H new ATOM 822 N VAL A 58 -6.095 -0.679 -10.411 1.00 0.00 N ATOM 823 CA VAL A 58 -6.574 -0.848 -9.045 1.00 0.00 C ATOM 824 C VAL A 58 -8.092 -0.988 -9.009 1.00 0.00 C ATOM 825 O VAL A 58 -8.817 -0.148 -9.544 1.00 0.00 O ATOM 826 CB VAL A 58 -6.158 0.336 -8.153 1.00 0.00 C ATOM 827 CG1 VAL A 58 -6.577 0.092 -6.711 1.00 0.00 C ATOM 828 CG2 VAL A 58 -4.658 0.572 -8.248 1.00 0.00 C ATOM 0 H VAL A 58 -6.380 0.195 -10.853 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.118 -1.760 -8.660 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.668 1.232 -8.507 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.274 0.939 -6.096 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.660 -0.024 -6.661 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.097 -0.814 -6.341 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.381 1.412 -7.611 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.128 -0.322 -7.920 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.389 0.795 -9.281 1.00 0.00 H new ATOM 838 N CYS A 59 -8.568 -2.055 -8.375 1.00 0.00 N ATOM 839 CA CYS A 59 -10.000 -2.306 -8.268 1.00 0.00 C ATOM 840 C CYS A 59 -10.665 -1.281 -7.353 1.00 0.00 C ATOM 841 O CYS A 59 -10.636 -1.415 -6.130 1.00 0.00 O ATOM 842 CB CYS A 59 -10.253 -3.719 -7.739 1.00 0.00 C ATOM 843 SG CYS A 59 -11.975 -4.284 -7.922 1.00 0.00 S ATOM 0 H CYS A 59 -7.982 -2.760 -7.927 1.00 0.00 H new ATOM 0 HA CYS A 59 -10.435 -2.215 -9.263 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -9.596 -4.414 -8.262 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -9.980 -3.755 -6.684 1.00 0.00 H new ATOM 848 N MET A 60 -11.264 -0.259 -7.956 1.00 0.00 N ATOM 849 CA MET A 60 -11.938 0.787 -7.195 1.00 0.00 C ATOM 850 C MET A 60 -12.866 0.184 -6.146 1.00 0.00 C ATOM 851 O MET A 60 -12.774 0.510 -4.962 1.00 0.00 O ATOM 852 CB MET A 60 -12.732 1.698 -8.133 1.00 0.00 C ATOM 853 CG MET A 60 -13.136 3.019 -7.500 1.00 0.00 C ATOM 854 SD MET A 60 -11.913 4.318 -7.763 1.00 0.00 S ATOM 855 CE MET A 60 -10.887 4.117 -6.308 1.00 0.00 C ATOM 0 H MET A 60 -11.296 -0.133 -8.968 1.00 0.00 H new ATOM 0 HA MET A 60 -11.178 1.378 -6.684 1.00 0.00 H new ATOM 0 HB2 MET A 60 -12.135 1.899 -9.023 1.00 0.00 H new ATOM 0 HB3 MET A 60 -13.629 1.173 -8.463 1.00 0.00 H new ATOM 0 HG2 MET A 60 -14.093 3.338 -7.913 1.00 0.00 H new ATOM 0 HG3 MET A 60 -13.283 2.875 -6.430 1.00 0.00 H new ATOM 0 HE1 MET A 60 -10.503 5.088 -5.997 1.00 0.00 H new ATOM 0 HE2 MET A 60 -11.480 3.686 -5.501 1.00 0.00 H new ATOM 0 HE3 MET A 60 -10.053 3.454 -6.539 1.00 0.00 H new ATOM 865 N ASP A 61 -13.759 -0.695 -6.587 1.00 0.00 N ATOM 866 CA ASP A 61 -14.703 -1.344 -5.685 1.00 0.00 C ATOM 867 C ASP A 61 -13.985 -1.924 -4.471 1.00 0.00 C ATOM 868 O ASP A 61 -14.257 -1.540 -3.334 1.00 0.00 O ATOM 869 CB ASP A 61 -15.465 -2.449 -6.419 1.00 0.00 C ATOM 870 CG ASP A 61 -16.648 -1.914 -7.202 1.00 0.00 C ATOM 871 OD1 ASP A 61 -16.450 -0.990 -8.018 1.00 0.00 O ATOM 872 OD2 ASP A 61 -17.772 -2.420 -6.999 1.00 0.00 O ATOM 0 H ASP A 61 -13.849 -0.975 -7.564 1.00 0.00 H new ATOM 0 HA ASP A 61 -15.412 -0.592 -5.339 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -14.786 -2.965 -7.098 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -15.815 -3.187 -5.697 1.00 0.00 H new ATOM 877 N TYR A 62 -13.067 -2.851 -4.721 1.00 0.00 N ATOM 878 CA TYR A 62 -12.312 -3.487 -3.648 1.00 0.00 C ATOM 879 C TYR A 62 -11.904 -2.467 -2.590 1.00 0.00 C ATOM 880 O TYR A 62 -12.092 -2.688 -1.393 1.00 0.00 O ATOM 881 CB TYR A 62 -11.069 -4.179 -4.212 1.00 0.00 C ATOM 882 CG TYR A 62 -10.172 -4.772 -3.149 1.00 0.00 C ATOM 883 CD1 TYR A 62 -10.695 -5.549 -2.124 1.00 0.00 C ATOM 884 CD2 TYR A 62 -8.799 -4.554 -3.171 1.00 0.00 C ATOM 885 CE1 TYR A 62 -9.879 -6.092 -1.150 1.00 0.00 C ATOM 886 CE2 TYR A 62 -7.975 -5.094 -2.202 1.00 0.00 C ATOM 887 CZ TYR A 62 -8.520 -5.862 -1.194 1.00 0.00 C ATOM 888 OH TYR A 62 -7.703 -6.401 -0.227 1.00 0.00 O ATOM 0 H TYR A 62 -12.828 -3.179 -5.657 1.00 0.00 H new ATOM 0 HA TYR A 62 -12.954 -4.233 -3.179 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -11.382 -4.969 -4.894 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -10.497 -3.460 -4.798 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -11.759 -5.732 -2.087 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -8.369 -3.953 -3.959 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -10.303 -6.693 -0.359 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -6.910 -4.916 -2.234 1.00 0.00 H new ATOM 0 HH TYR A 62 -7.462 -5.707 0.422 1.00 0.00 H new ATOM 898 N ILE A 63 -11.344 -1.349 -3.040 1.00 0.00 N ATOM 899 CA ILE A 63 -10.911 -0.293 -2.134 1.00 0.00 C ATOM 900 C ILE A 63 -12.009 0.061 -1.137 1.00 0.00 C ATOM 901 O ILE A 63 -11.756 0.203 0.059 1.00 0.00 O ATOM 902 CB ILE A 63 -10.502 0.977 -2.903 1.00 0.00 C ATOM 903 CG1 ILE A 63 -9.324 0.679 -3.834 1.00 0.00 C ATOM 904 CG2 ILE A 63 -10.147 2.093 -1.932 1.00 0.00 C ATOM 905 CD1 ILE A 63 -8.017 0.465 -3.104 1.00 0.00 C ATOM 0 H ILE A 63 -11.180 -1.151 -4.027 1.00 0.00 H new ATOM 0 HA ILE A 63 -10.044 -0.676 -1.595 1.00 0.00 H new ATOM 0 HB ILE A 63 -11.347 1.304 -3.509 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.552 -0.210 -4.422 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.208 1.505 -4.536 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.860 2.984 -2.491 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -11.010 2.319 -1.307 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -9.316 1.776 -1.302 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.227 0.259 -3.826 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.766 1.362 -2.537 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -8.115 -0.380 -2.422 1.00 0.00 H new ATOM 917 N LYS A 64 -13.232 0.202 -1.638 1.00 0.00 N ATOM 918 CA LYS A 64 -14.372 0.536 -0.793 1.00 0.00 C ATOM 919 C LYS A 64 -14.598 -0.538 0.266 1.00 0.00 C ATOM 920 O LYS A 64 -15.165 -0.270 1.324 1.00 0.00 O ATOM 921 CB LYS A 64 -15.633 0.701 -1.644 1.00 0.00 C ATOM 922 CG LYS A 64 -15.634 1.961 -2.493 1.00 0.00 C ATOM 923 CD LYS A 64 -17.047 2.411 -2.823 1.00 0.00 C ATOM 924 CE LYS A 64 -17.588 3.367 -1.770 1.00 0.00 C ATOM 925 NZ LYS A 64 -18.275 2.643 -0.665 1.00 0.00 N ATOM 0 H LYS A 64 -13.459 0.090 -2.626 1.00 0.00 H new ATOM 0 HA LYS A 64 -14.155 1.478 -0.289 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -15.737 -0.166 -2.296 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -16.504 0.714 -0.989 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -15.112 2.758 -1.963 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -15.084 1.779 -3.416 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -17.056 2.899 -3.798 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -17.699 1.541 -2.896 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -16.769 3.959 -1.362 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -18.285 4.064 -2.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -19.209 3.068 -0.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -18.391 1.643 -0.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -17.705 2.712 0.202 1.00 0.00 H new ATOM 939 N GLY A 65 -14.148 -1.755 -0.026 1.00 0.00 N ATOM 940 CA GLY A 65 -14.310 -2.850 0.912 1.00 0.00 C ATOM 941 C GLY A 65 -15.194 -3.954 0.368 1.00 0.00 C ATOM 942 O GLY A 65 -15.216 -5.062 0.903 1.00 0.00 O ATOM 0 H GLY A 65 -13.674 -2.002 -0.895 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.331 -3.261 1.158 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -14.738 -2.470 1.839 1.00 0.00 H new ATOM 946 N ARG A 66 -15.927 -3.651 -0.699 1.00 0.00 N ATOM 947 CA ARG A 66 -16.820 -4.626 -1.314 1.00 0.00 C ATOM 948 C ARG A 66 -16.569 -4.720 -2.817 1.00 0.00 C ATOM 949 O ARG A 66 -16.986 -3.850 -3.582 1.00 0.00 O ATOM 950 CB ARG A 66 -18.279 -4.248 -1.052 1.00 0.00 C ATOM 951 CG ARG A 66 -18.592 -2.789 -1.340 1.00 0.00 C ATOM 952 CD ARG A 66 -20.084 -2.566 -1.529 1.00 0.00 C ATOM 953 NE ARG A 66 -20.753 -2.240 -0.273 1.00 0.00 N ATOM 954 CZ ARG A 66 -20.789 -1.017 0.245 1.00 0.00 C ATOM 955 NH1 ARG A 66 -20.198 -0.010 -0.383 1.00 0.00 N ATOM 956 NH2 ARG A 66 -21.418 -0.800 1.393 1.00 0.00 N ATOM 0 H ARG A 66 -15.920 -2.739 -1.155 1.00 0.00 H new ATOM 0 HA ARG A 66 -16.618 -5.600 -0.868 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -18.924 -4.877 -1.665 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -18.520 -4.464 -0.011 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -18.232 -2.170 -0.519 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -18.059 -2.472 -2.236 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -20.242 -1.758 -2.244 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -20.533 -3.462 -1.957 1.00 0.00 H new ATOM 0 HE ARG A 66 -21.218 -2.992 0.235 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -19.714 -0.173 -1.266 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -20.227 0.928 0.017 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -21.874 -1.572 1.878 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -21.445 0.139 1.790 1.00 0.00 H new ATOM 970 N CYS A 67 -15.886 -5.781 -3.232 1.00 0.00 N ATOM 971 CA CYS A 67 -15.578 -5.990 -4.641 1.00 0.00 C ATOM 972 C CYS A 67 -16.374 -7.164 -5.204 1.00 0.00 C ATOM 973 O CYS A 67 -16.040 -8.324 -4.965 1.00 0.00 O ATOM 974 CB CYS A 67 -14.080 -6.239 -4.827 1.00 0.00 C ATOM 975 SG CYS A 67 -13.665 -7.204 -6.315 1.00 0.00 S ATOM 0 H CYS A 67 -15.535 -6.510 -2.611 1.00 0.00 H new ATOM 0 HA CYS A 67 -15.859 -5.089 -5.185 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -13.566 -5.279 -4.875 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -13.698 -6.762 -3.950 1.00 0.00 H new ATOM 980 N MET A 68 -17.428 -6.854 -5.951 1.00 0.00 N ATOM 981 CA MET A 68 -18.270 -7.884 -6.549 1.00 0.00 C ATOM 982 C MET A 68 -18.498 -7.607 -8.032 1.00 0.00 C ATOM 983 O MET A 68 -19.522 -7.994 -8.595 1.00 0.00 O ATOM 984 CB MET A 68 -19.613 -7.960 -5.820 1.00 0.00 C ATOM 985 CG MET A 68 -20.331 -9.287 -6.007 1.00 0.00 C ATOM 986 SD MET A 68 -19.822 -10.528 -4.802 1.00 0.00 S ATOM 987 CE MET A 68 -19.262 -11.841 -5.885 1.00 0.00 C ATOM 0 H MET A 68 -17.720 -5.899 -6.157 1.00 0.00 H new ATOM 0 HA MET A 68 -17.756 -8.840 -6.451 1.00 0.00 H new ATOM 0 HB2 MET A 68 -19.450 -7.791 -4.756 1.00 0.00 H new ATOM 0 HB3 MET A 68 -20.256 -7.155 -6.175 1.00 0.00 H new ATOM 0 HG2 MET A 68 -21.406 -9.128 -5.927 1.00 0.00 H new ATOM 0 HG3 MET A 68 -20.138 -9.662 -7.012 1.00 0.00 H new ATOM 0 HE1 MET A 68 -18.915 -12.683 -5.286 1.00 0.00 H new ATOM 0 HE2 MET A 68 -20.086 -12.164 -6.522 1.00 0.00 H new ATOM 0 HE3 MET A 68 -18.444 -11.476 -6.507 1.00 0.00 H new ATOM 997 N ARG A 69 -17.537 -6.935 -8.658 1.00 0.00 N ATOM 998 CA ARG A 69 -17.635 -6.605 -10.075 1.00 0.00 C ATOM 999 C ARG A 69 -17.777 -7.869 -10.918 1.00 0.00 C ATOM 1000 O ARG A 69 -17.212 -8.912 -10.592 1.00 0.00 O ATOM 1001 CB ARG A 69 -16.402 -5.817 -10.523 1.00 0.00 C ATOM 1002 CG ARG A 69 -16.526 -4.318 -10.303 1.00 0.00 C ATOM 1003 CD ARG A 69 -15.255 -3.589 -10.712 1.00 0.00 C ATOM 1004 NE ARG A 69 -15.130 -3.478 -12.163 1.00 0.00 N ATOM 1005 CZ ARG A 69 -15.732 -2.537 -12.882 1.00 0.00 C ATOM 1006 NH1 ARG A 69 -16.496 -1.630 -12.288 1.00 0.00 N ATOM 1007 NH2 ARG A 69 -15.570 -2.501 -14.198 1.00 0.00 N ATOM 0 H ARG A 69 -16.682 -6.609 -8.207 1.00 0.00 H new ATOM 0 HA ARG A 69 -18.523 -5.990 -10.219 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -15.530 -6.184 -9.982 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -16.224 -6.007 -11.581 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -17.369 -3.933 -10.877 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -16.739 -4.119 -9.253 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -15.251 -2.592 -10.271 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -14.389 -4.118 -10.313 1.00 0.00 H new ATOM 0 HE ARG A 69 -14.549 -4.160 -12.651 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -16.623 -1.654 -11.276 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -16.957 -0.909 -12.843 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -14.983 -3.196 -14.659 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -16.033 -1.778 -14.749 1.00 0.00 H new ATOM 1021 N GLU A 70 -18.538 -7.767 -12.004 1.00 0.00 N ATOM 1022 CA GLU A 70 -18.756 -8.902 -12.893 1.00 0.00 C ATOM 1023 C GLU A 70 -17.431 -9.426 -13.440 1.00 0.00 C ATOM 1024 O GLU A 70 -16.915 -8.921 -14.438 1.00 0.00 O ATOM 1025 CB GLU A 70 -19.676 -8.504 -14.048 1.00 0.00 C ATOM 1026 CG GLU A 70 -19.926 -9.626 -15.042 1.00 0.00 C ATOM 1027 CD GLU A 70 -20.738 -9.175 -16.240 1.00 0.00 C ATOM 1028 OE1 GLU A 70 -20.543 -8.027 -16.691 1.00 0.00 O ATOM 1029 OE2 GLU A 70 -21.569 -9.971 -16.726 1.00 0.00 O ATOM 0 H GLU A 70 -19.013 -6.911 -12.289 1.00 0.00 H new ATOM 0 HA GLU A 70 -19.231 -9.696 -12.317 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -20.631 -8.170 -13.642 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -19.239 -7.655 -14.574 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -18.970 -10.022 -15.384 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -20.448 -10.441 -14.540 1.00 0.00 H new ATOM 1036 N LYS A 71 -16.885 -10.442 -12.781 1.00 0.00 N ATOM 1037 CA LYS A 71 -15.622 -11.037 -13.200 1.00 0.00 C ATOM 1038 C LYS A 71 -14.470 -10.055 -13.012 1.00 0.00 C ATOM 1039 O LYS A 71 -13.688 -9.816 -13.933 1.00 0.00 O ATOM 1040 CB LYS A 71 -15.701 -11.473 -14.664 1.00 0.00 C ATOM 1041 CG LYS A 71 -14.967 -12.771 -14.953 1.00 0.00 C ATOM 1042 CD LYS A 71 -13.532 -12.518 -15.381 1.00 0.00 C ATOM 1043 CE LYS A 71 -12.681 -13.771 -15.247 1.00 0.00 C ATOM 1044 NZ LYS A 71 -12.161 -13.944 -13.862 1.00 0.00 N ATOM 0 H LYS A 71 -17.298 -10.871 -11.953 1.00 0.00 H new ATOM 0 HA LYS A 71 -15.436 -11.912 -12.577 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -16.748 -11.587 -14.944 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -15.287 -10.684 -15.292 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -14.976 -13.401 -14.063 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -15.490 -13.319 -15.737 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -13.515 -12.174 -16.415 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -13.105 -11.720 -14.773 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -13.273 -14.643 -15.524 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -11.845 -13.718 -15.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -11.586 -14.809 -13.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.575 -13.124 -13.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.958 -14.020 -13.199 1.00 0.00 H new ATOM 1058 N CYS A 72 -14.369 -9.490 -11.813 1.00 0.00 N ATOM 1059 CA CYS A 72 -13.312 -8.535 -11.504 1.00 0.00 C ATOM 1060 C CYS A 72 -11.962 -9.036 -12.008 1.00 0.00 C ATOM 1061 O CYS A 72 -11.553 -10.159 -11.711 1.00 0.00 O ATOM 1062 CB CYS A 72 -13.245 -8.288 -9.995 1.00 0.00 C ATOM 1063 SG CYS A 72 -11.628 -7.687 -9.411 1.00 0.00 S ATOM 0 H CYS A 72 -15.007 -9.677 -11.039 1.00 0.00 H new ATOM 0 HA CYS A 72 -13.544 -7.598 -12.010 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -14.011 -7.562 -9.722 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -13.485 -9.215 -9.475 1.00 0.00 H new ATOM 1068 N LYS A 73 -11.273 -8.195 -12.773 1.00 0.00 N ATOM 1069 CA LYS A 73 -9.968 -8.550 -13.318 1.00 0.00 C ATOM 1070 C LYS A 73 -8.931 -7.482 -12.985 1.00 0.00 C ATOM 1071 O LYS A 73 -8.002 -7.243 -13.757 1.00 0.00 O ATOM 1072 CB LYS A 73 -10.059 -8.732 -14.835 1.00 0.00 C ATOM 1073 CG LYS A 73 -10.505 -7.481 -15.572 1.00 0.00 C ATOM 1074 CD LYS A 73 -12.020 -7.362 -15.603 1.00 0.00 C ATOM 1075 CE LYS A 73 -12.616 -8.130 -16.772 1.00 0.00 C ATOM 1076 NZ LYS A 73 -13.992 -7.663 -17.099 1.00 0.00 N ATOM 0 H LYS A 73 -11.597 -7.263 -13.029 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.655 -9.490 -12.863 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.085 -9.039 -15.215 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.756 -9.541 -15.054 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.080 -6.602 -15.088 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.120 -7.501 -16.591 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.435 -7.740 -14.669 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.302 -6.312 -15.675 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.976 -8.014 -17.647 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -12.641 -9.193 -16.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.363 -8.211 -17.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -14.609 -7.797 -16.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.965 -6.655 -17.352 1.00 0.00 H new ATOM 1090 N TYR A 74 -9.095 -6.844 -11.832 1.00 0.00 N ATOM 1091 CA TYR A 74 -8.173 -5.801 -11.397 1.00 0.00 C ATOM 1092 C TYR A 74 -7.279 -6.301 -10.266 1.00 0.00 C ATOM 1093 O TYR A 74 -7.605 -7.273 -9.585 1.00 0.00 O ATOM 1094 CB TYR A 74 -8.948 -4.564 -10.941 1.00 0.00 C ATOM 1095 CG TYR A 74 -9.650 -3.840 -12.068 1.00 0.00 C ATOM 1096 CD1 TYR A 74 -10.518 -4.513 -12.918 1.00 0.00 C ATOM 1097 CD2 TYR A 74 -9.443 -2.483 -12.282 1.00 0.00 C ATOM 1098 CE1 TYR A 74 -11.161 -3.855 -13.949 1.00 0.00 C ATOM 1099 CE2 TYR A 74 -10.083 -1.817 -13.310 1.00 0.00 C ATOM 1100 CZ TYR A 74 -10.940 -2.507 -14.141 1.00 0.00 C ATOM 1101 OH TYR A 74 -11.578 -1.848 -15.167 1.00 0.00 O ATOM 0 H TYR A 74 -9.858 -7.031 -11.181 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.541 -5.534 -12.244 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -9.686 -4.862 -10.196 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -8.260 -3.875 -10.450 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -10.693 -5.568 -12.771 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.771 -1.940 -11.634 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -11.833 -4.393 -14.601 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -9.913 -0.761 -13.462 1.00 0.00 H new ATOM 0 HH TYR A 74 -11.314 -0.904 -15.164 1.00 0.00 H new ATOM 1111 N PHE A 75 -6.150 -5.627 -10.072 1.00 0.00 N ATOM 1112 CA PHE A 75 -5.207 -6.002 -9.024 1.00 0.00 C ATOM 1113 C PHE A 75 -5.727 -5.584 -7.651 1.00 0.00 C ATOM 1114 O PHE A 75 -6.340 -4.527 -7.502 1.00 0.00 O ATOM 1115 CB PHE A 75 -3.843 -5.359 -9.283 1.00 0.00 C ATOM 1116 CG PHE A 75 -2.869 -5.545 -8.155 1.00 0.00 C ATOM 1117 CD1 PHE A 75 -2.114 -6.703 -8.058 1.00 0.00 C ATOM 1118 CD2 PHE A 75 -2.710 -4.563 -7.191 1.00 0.00 C ATOM 1119 CE1 PHE A 75 -1.216 -6.877 -7.021 1.00 0.00 C ATOM 1120 CE2 PHE A 75 -1.814 -4.731 -6.152 1.00 0.00 C ATOM 1121 CZ PHE A 75 -1.067 -5.890 -6.066 1.00 0.00 C ATOM 0 H PHE A 75 -5.866 -4.819 -10.626 1.00 0.00 H new ATOM 0 HA PHE A 75 -5.098 -7.086 -9.037 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.418 -5.782 -10.193 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.981 -4.293 -9.461 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -2.228 -7.479 -8.801 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.293 -3.656 -7.252 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -0.632 -7.783 -6.958 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.698 -3.957 -5.408 1.00 0.00 H new ATOM 0 HZ PHE A 75 -0.368 -6.024 -5.254 1.00 0.00 H new ATOM 1131 N HIS A 76 -5.476 -6.423 -6.650 1.00 0.00 N ATOM 1132 CA HIS A 76 -5.918 -6.142 -5.289 1.00 0.00 C ATOM 1133 C HIS A 76 -4.724 -5.901 -4.370 1.00 0.00 C ATOM 1134 O HIS A 76 -4.087 -6.835 -3.883 1.00 0.00 O ATOM 1135 CB HIS A 76 -6.762 -7.299 -4.755 1.00 0.00 C ATOM 1136 CG HIS A 76 -8.175 -7.290 -5.253 1.00 0.00 C ATOM 1137 ND1 HIS A 76 -9.208 -7.925 -4.598 1.00 0.00 N ATOM 1138 CD2 HIS A 76 -8.723 -6.715 -6.349 1.00 0.00 C ATOM 1139 CE1 HIS A 76 -10.331 -7.743 -5.271 1.00 0.00 C ATOM 1140 NE2 HIS A 76 -10.064 -7.012 -6.337 1.00 0.00 N ATOM 0 H HIS A 76 -4.969 -7.302 -6.756 1.00 0.00 H new ATOM 0 HA HIS A 76 -6.527 -5.238 -5.310 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -6.292 -8.241 -5.037 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -6.769 -7.260 -3.666 1.00 0.00 H new ATOM 0 HD1 HIS A 76 -9.120 -8.453 -3.730 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -8.203 -6.131 -7.094 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -11.302 -8.127 -4.995 1.00 0.00 H new ATOM 1148 N PRO A 77 -4.413 -4.619 -4.126 1.00 0.00 N ATOM 1149 CA PRO A 77 -3.294 -4.226 -3.264 1.00 0.00 C ATOM 1150 C PRO A 77 -3.555 -4.544 -1.796 1.00 0.00 C ATOM 1151 O PRO A 77 -4.667 -4.890 -1.398 1.00 0.00 O ATOM 1152 CB PRO A 77 -3.199 -2.713 -3.475 1.00 0.00 C ATOM 1153 CG PRO A 77 -4.569 -2.301 -3.889 1.00 0.00 C ATOM 1154 CD PRO A 77 -5.130 -3.455 -4.673 1.00 0.00 C ATOM 0 HA PRO A 77 -2.379 -4.763 -3.513 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.892 -2.204 -2.561 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.463 -2.466 -4.240 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.190 -2.081 -3.020 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.538 -1.396 -4.495 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.208 -3.547 -4.538 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -4.952 -3.339 -5.742 1.00 0.00 H new ATOM 1162 N PRO A 78 -2.506 -4.424 -0.968 1.00 0.00 N ATOM 1163 CA PRO A 78 -2.597 -4.693 0.470 1.00 0.00 C ATOM 1164 C PRO A 78 -3.421 -3.643 1.205 1.00 0.00 C ATOM 1165 O PRO A 78 -3.934 -2.705 0.596 1.00 0.00 O ATOM 1166 CB PRO A 78 -1.138 -4.648 0.932 1.00 0.00 C ATOM 1167 CG PRO A 78 -0.452 -3.777 -0.063 1.00 0.00 C ATOM 1168 CD PRO A 78 -1.150 -4.016 -1.373 1.00 0.00 C ATOM 0 HA PRO A 78 -3.095 -5.640 0.677 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.054 -4.240 1.939 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -0.699 -5.645 0.954 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.515 -2.728 0.227 1.00 0.00 H new ATOM 0 HG3 PRO A 78 0.607 -4.025 -0.134 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -1.168 -3.117 -1.989 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -0.654 -4.792 -1.957 1.00 0.00 H new ATOM 1176 N ALA A 79 -3.545 -3.807 2.518 1.00 0.00 N ATOM 1177 CA ALA A 79 -4.305 -2.870 3.337 1.00 0.00 C ATOM 1178 C ALA A 79 -3.663 -1.487 3.329 1.00 0.00 C ATOM 1179 O ALA A 79 -4.266 -0.515 2.873 1.00 0.00 O ATOM 1180 CB ALA A 79 -4.424 -3.391 4.761 1.00 0.00 C ATOM 0 H ALA A 79 -3.129 -4.580 3.037 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.304 -2.780 2.910 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.994 -2.682 5.362 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.935 -4.354 4.755 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.429 -3.511 5.189 1.00 0.00 H new ATOM 1186 N HIS A 80 -2.437 -1.406 3.836 1.00 0.00 N ATOM 1187 CA HIS A 80 -1.713 -0.141 3.887 1.00 0.00 C ATOM 1188 C HIS A 80 -1.904 0.647 2.595 1.00 0.00 C ATOM 1189 O HIS A 80 -2.255 1.828 2.621 1.00 0.00 O ATOM 1190 CB HIS A 80 -0.225 -0.390 4.132 1.00 0.00 C ATOM 1191 CG HIS A 80 0.404 -1.300 3.122 1.00 0.00 C ATOM 1192 ND1 HIS A 80 1.081 -1.024 1.982 1.00 0.00 N flip ATOM 1193 CD2 HIS A 80 0.374 -2.674 3.225 1.00 0.00 C flip ATOM 1194 CE1 HIS A 80 1.445 -2.225 1.424 1.00 0.00 C flip ATOM 1195 NE2 HIS A 80 1.007 -3.205 2.194 1.00 0.00 N flip ATOM 0 H HIS A 80 -1.924 -2.201 4.217 1.00 0.00 H new ATOM 0 HA HIS A 80 -2.115 0.446 4.712 1.00 0.00 H new ATOM 0 HB2 HIS A 80 0.301 0.565 4.126 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -0.095 -0.819 5.126 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -0.094 -3.230 4.024 1.00 0.00 H new ATOM 0 HE1 HIS A 80 1.999 -2.348 0.505 1.00 0.00 H new ATOM 0 HE2 HIS A 80 1.136 -4.202 2.022 1.00 0.00 H new ATOM 1203 N LEU A 81 -1.670 -0.013 1.466 1.00 0.00 N ATOM 1204 CA LEU A 81 -1.815 0.626 0.162 1.00 0.00 C ATOM 1205 C LEU A 81 -3.267 1.017 -0.094 1.00 0.00 C ATOM 1206 O LEU A 81 -3.570 2.183 -0.345 1.00 0.00 O ATOM 1207 CB LEU A 81 -1.325 -0.311 -0.944 1.00 0.00 C ATOM 1208 CG LEU A 81 0.182 -0.310 -1.204 1.00 0.00 C ATOM 1209 CD1 LEU A 81 0.555 -1.414 -2.181 1.00 0.00 C ATOM 1210 CD2 LEU A 81 0.632 1.045 -1.731 1.00 0.00 C ATOM 0 H LEU A 81 -1.379 -0.990 1.427 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.208 1.531 0.159 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.630 -1.327 -0.694 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.834 -0.045 -1.870 1.00 0.00 H new ATOM 0 HG LEU A 81 0.694 -0.499 -0.261 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.631 -1.398 -2.354 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.268 -2.380 -1.765 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.033 -1.256 -3.125 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.707 1.027 -1.910 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.112 1.263 -2.664 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.399 1.816 -0.997 1.00 0.00 H new ATOM 1222 N GLN A 82 -4.160 0.035 -0.026 1.00 0.00 N ATOM 1223 CA GLN A 82 -5.580 0.278 -0.249 1.00 0.00 C ATOM 1224 C GLN A 82 -5.994 1.637 0.305 1.00 0.00 C ATOM 1225 O GLN A 82 -6.810 2.339 -0.291 1.00 0.00 O ATOM 1226 CB GLN A 82 -6.416 -0.826 0.400 1.00 0.00 C ATOM 1227 CG GLN A 82 -6.683 -2.007 -0.519 1.00 0.00 C ATOM 1228 CD GLN A 82 -7.595 -3.042 0.110 1.00 0.00 C ATOM 1229 OE1 GLN A 82 -7.004 -4.102 0.651 1.00 0.00 O flip ATOM 1230 NE2 GLN A 82 -8.817 -2.892 0.111 1.00 0.00 N flip ATOM 0 H GLN A 82 -3.925 -0.936 0.182 1.00 0.00 H new ATOM 0 HA GLN A 82 -5.758 0.275 -1.324 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.903 -1.181 1.294 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -7.368 -0.406 0.724 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.132 -1.648 -1.445 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -5.736 -2.477 -0.785 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -9.229 -2.062 -0.316 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -9.417 -3.597 0.539 1.00 0.00 H new ATOM 1239 N ALA A 83 -5.424 2.002 1.449 1.00 0.00 N ATOM 1240 CA ALA A 83 -5.733 3.278 2.083 1.00 0.00 C ATOM 1241 C ALA A 83 -5.140 4.441 1.293 1.00 0.00 C ATOM 1242 O ALA A 83 -5.815 5.436 1.032 1.00 0.00 O ATOM 1243 CB ALA A 83 -5.219 3.294 3.515 1.00 0.00 C ATOM 0 H ALA A 83 -4.746 1.432 1.955 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.816 3.396 2.096 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -5.457 4.253 3.976 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.693 2.492 4.081 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.139 3.149 3.515 1.00 0.00 H new ATOM 1249 N LYS A 84 -3.872 4.308 0.917 1.00 0.00 N ATOM 1250 CA LYS A 84 -3.187 5.347 0.156 1.00 0.00 C ATOM 1251 C LYS A 84 -4.086 5.896 -0.947 1.00 0.00 C ATOM 1252 O LYS A 84 -4.174 7.109 -1.142 1.00 0.00 O ATOM 1253 CB LYS A 84 -1.896 4.795 -0.451 1.00 0.00 C ATOM 1254 CG LYS A 84 -0.669 5.027 0.413 1.00 0.00 C ATOM 1255 CD LYS A 84 -0.553 3.980 1.509 1.00 0.00 C ATOM 1256 CE LYS A 84 0.423 4.413 2.592 1.00 0.00 C ATOM 1257 NZ LYS A 84 0.323 3.553 3.804 1.00 0.00 N ATOM 0 H LYS A 84 -3.298 3.491 1.127 1.00 0.00 H new ATOM 0 HA LYS A 84 -2.942 6.161 0.839 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.013 3.725 -0.621 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.736 5.257 -1.425 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.225 5.004 -0.210 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.720 6.020 0.861 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -1.534 3.804 1.951 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.224 3.035 1.077 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.440 4.374 2.201 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.226 5.450 2.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 0.147 4.148 4.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.461 2.879 3.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.213 3.030 3.933 1.00 0.00 H new ATOM 1271 N ILE A 85 -4.752 4.998 -1.663 1.00 0.00 N ATOM 1272 CA ILE A 85 -5.646 5.394 -2.744 1.00 0.00 C ATOM 1273 C ILE A 85 -6.874 6.119 -2.204 1.00 0.00 C ATOM 1274 O ILE A 85 -7.195 7.227 -2.636 1.00 0.00 O ATOM 1275 CB ILE A 85 -6.104 4.177 -3.570 1.00 0.00 C ATOM 1276 CG1 ILE A 85 -4.893 3.430 -4.133 1.00 0.00 C ATOM 1277 CG2 ILE A 85 -7.030 4.619 -4.694 1.00 0.00 C ATOM 1278 CD1 ILE A 85 -4.423 2.293 -3.252 1.00 0.00 C ATOM 0 H ILE A 85 -4.690 3.991 -1.514 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.083 6.069 -3.388 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.654 3.499 -2.917 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -5.144 3.036 -5.118 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.073 4.135 -4.271 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.345 3.748 -5.269 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.906 5.112 -4.271 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.503 5.314 -5.348 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.562 1.808 -3.712 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.140 2.683 -2.274 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.228 1.568 -3.134 1.00 0.00 H new ATOM 1290 N LYS A 86 -7.558 5.488 -1.256 1.00 0.00 N ATOM 1291 CA LYS A 86 -8.750 6.072 -0.653 1.00 0.00 C ATOM 1292 C LYS A 86 -8.505 7.527 -0.264 1.00 0.00 C ATOM 1293 O LYS A 86 -9.361 8.387 -0.468 1.00 0.00 O ATOM 1294 CB LYS A 86 -9.171 5.267 0.578 1.00 0.00 C ATOM 1295 CG LYS A 86 -10.139 4.139 0.265 1.00 0.00 C ATOM 1296 CD LYS A 86 -11.119 3.913 1.404 1.00 0.00 C ATOM 1297 CE LYS A 86 -11.622 2.478 1.430 1.00 0.00 C ATOM 1298 NZ LYS A 86 -12.451 2.203 2.636 1.00 0.00 N ATOM 0 H LYS A 86 -7.307 4.570 -0.888 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.552 6.041 -1.390 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.282 4.851 1.051 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -9.632 5.940 1.302 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -10.688 4.372 -0.647 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -9.581 3.222 0.076 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.636 4.148 2.353 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -11.964 4.594 1.299 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -12.210 2.283 0.533 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -10.773 1.795 1.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -12.775 1.215 2.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -11.883 2.365 3.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -13.275 2.837 2.643 1.00 0.00 H new ATOM 1312 N ALA A 87 -7.330 7.794 0.298 1.00 0.00 N ATOM 1313 CA ALA A 87 -6.971 9.144 0.712 1.00 0.00 C ATOM 1314 C ALA A 87 -7.352 10.166 -0.354 1.00 0.00 C ATOM 1315 O ALA A 87 -8.030 11.152 -0.069 1.00 0.00 O ATOM 1316 CB ALA A 87 -5.482 9.225 1.016 1.00 0.00 C ATOM 0 H ALA A 87 -6.611 7.093 0.477 1.00 0.00 H new ATOM 0 HA ALA A 87 -7.529 9.379 1.618 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.228 10.239 1.324 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.236 8.530 1.819 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -4.914 8.964 0.123 1.00 0.00 H new ATOM 1322 N ALA A 88 -6.910 9.922 -1.584 1.00 0.00 N ATOM 1323 CA ALA A 88 -7.206 10.820 -2.693 1.00 0.00 C ATOM 1324 C ALA A 88 -8.697 11.128 -2.768 1.00 0.00 C ATOM 1325 O ALA A 88 -9.093 12.267 -3.015 1.00 0.00 O ATOM 1326 CB ALA A 88 -6.723 10.217 -4.004 1.00 0.00 C ATOM 0 H ALA A 88 -6.346 9.110 -1.837 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.677 11.757 -2.520 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.951 10.898 -4.824 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -5.646 10.055 -3.955 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.226 9.265 -4.174 1.00 0.00 H new ATOM 1332 N GLN A 89 -9.519 10.106 -2.554 1.00 0.00 N ATOM 1333 CA GLN A 89 -10.968 10.268 -2.599 1.00 0.00 C ATOM 1334 C GLN A 89 -11.471 11.008 -1.364 1.00 0.00 C ATOM 1335 O GLN A 89 -12.135 12.040 -1.474 1.00 0.00 O ATOM 1336 CB GLN A 89 -11.652 8.904 -2.705 1.00 0.00 C ATOM 1337 CG GLN A 89 -11.739 8.376 -4.128 1.00 0.00 C ATOM 1338 CD GLN A 89 -10.453 8.577 -4.905 1.00 0.00 C ATOM 1339 OE1 GLN A 89 -10.342 9.496 -5.717 1.00 0.00 O ATOM 1340 NE2 GLN A 89 -9.472 7.716 -4.659 1.00 0.00 N ATOM 0 H GLN A 89 -9.207 9.157 -2.348 1.00 0.00 H new ATOM 0 HA GLN A 89 -11.215 10.860 -3.481 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -11.108 8.185 -2.092 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -12.658 8.978 -2.292 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -11.982 7.314 -4.103 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -12.555 8.877 -4.648 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -9.608 6.969 -3.978 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -8.583 7.802 -5.151 1.00 0.00 H new ATOM 1349 N HIS A 90 -11.151 10.475 -0.189 1.00 0.00 N ATOM 1350 CA HIS A 90 -11.571 11.085 1.067 1.00 0.00 C ATOM 1351 C HIS A 90 -10.474 11.985 1.627 1.00 0.00 C ATOM 1352 O HIS A 90 -9.460 11.503 2.130 1.00 0.00 O ATOM 1353 CB HIS A 90 -11.932 10.006 2.088 1.00 0.00 C ATOM 1354 CG HIS A 90 -12.787 8.912 1.526 1.00 0.00 C ATOM 1355 ND1 HIS A 90 -12.287 7.890 0.747 1.00 0.00 N ATOM 1356 CD2 HIS A 90 -14.117 8.684 1.636 1.00 0.00 C ATOM 1357 CE1 HIS A 90 -13.272 7.082 0.400 1.00 0.00 C ATOM 1358 NE2 HIS A 90 -14.393 7.540 0.927 1.00 0.00 N ATOM 0 H HIS A 90 -10.602 9.622 -0.081 1.00 0.00 H new ATOM 0 HA HIS A 90 -12.452 11.695 0.869 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -11.015 9.571 2.485 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -12.453 10.470 2.925 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -11.309 7.776 0.480 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -14.828 9.288 2.180 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -13.177 6.197 -0.211 1.00 0.00 H new ATOM 1366 N GLN A 91 -10.684 13.294 1.535 1.00 0.00 N ATOM 1367 CA GLN A 91 -9.712 14.261 2.032 1.00 0.00 C ATOM 1368 C GLN A 91 -9.029 13.746 3.295 1.00 0.00 C ATOM 1369 O GLN A 91 -9.687 13.451 4.291 1.00 0.00 O ATOM 1370 CB GLN A 91 -10.392 15.601 2.315 1.00 0.00 C ATOM 1371 CG GLN A 91 -10.924 16.289 1.069 1.00 0.00 C ATOM 1372 CD GLN A 91 -9.844 17.028 0.304 1.00 0.00 C ATOM 1373 OE1 GLN A 91 -8.745 17.246 0.814 1.00 0.00 O ATOM 1374 NE2 GLN A 91 -10.151 17.417 -0.928 1.00 0.00 N ATOM 0 H GLN A 91 -11.518 13.710 1.121 1.00 0.00 H new ATOM 0 HA GLN A 91 -8.953 14.403 1.263 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -11.215 15.441 3.011 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -9.681 16.263 2.809 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -11.383 15.546 0.416 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -11.708 16.991 1.353 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -11.074 17.215 -1.311 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -9.463 17.918 -1.491 1.00 0.00 H new ATOM 1383 N ALA A 92 -7.705 13.641 3.245 1.00 0.00 N ATOM 1384 CA ALA A 92 -6.933 13.164 4.385 1.00 0.00 C ATOM 1385 C ALA A 92 -6.234 14.317 5.096 1.00 0.00 C ATOM 1386 O ALA A 92 -5.537 15.114 4.469 1.00 0.00 O ATOM 1387 CB ALA A 92 -5.917 12.124 3.937 1.00 0.00 C ATOM 0 H ALA A 92 -7.145 13.880 2.427 1.00 0.00 H new ATOM 0 HA ALA A 92 -7.623 12.701 5.091 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -5.348 11.777 4.799 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.436 11.281 3.481 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -5.238 12.568 3.209 1.00 0.00 H new ATOM 1393 N ASN A 93 -6.425 14.400 6.409 1.00 0.00 N ATOM 1394 CA ASN A 93 -5.813 15.458 7.205 1.00 0.00 C ATOM 1395 C ASN A 93 -4.563 14.949 7.916 1.00 0.00 C ATOM 1396 O ASN A 93 -4.334 15.257 9.086 1.00 0.00 O ATOM 1397 CB ASN A 93 -6.813 15.997 8.230 1.00 0.00 C ATOM 1398 CG ASN A 93 -6.337 17.280 8.883 1.00 0.00 C ATOM 1399 OD1 ASN A 93 -5.967 18.236 8.202 1.00 0.00 O ATOM 1400 ND2 ASN A 93 -6.344 17.306 10.211 1.00 0.00 N ATOM 0 H ASN A 93 -6.998 13.748 6.944 1.00 0.00 H new ATOM 0 HA ASN A 93 -5.523 16.265 6.531 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -7.770 16.175 7.740 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -6.983 15.243 8.998 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -6.034 18.142 10.706 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -6.659 16.490 10.735 1.00 0.00 H new ATOM 1407 N GLN A 94 -3.757 14.170 7.201 1.00 0.00 N ATOM 1408 CA GLN A 94 -2.530 13.619 7.764 1.00 0.00 C ATOM 1409 C GLN A 94 -1.321 14.010 6.921 1.00 0.00 C ATOM 1410 O GLN A 94 -1.387 14.021 5.692 1.00 0.00 O ATOM 1411 CB GLN A 94 -2.628 12.096 7.862 1.00 0.00 C ATOM 1412 CG GLN A 94 -1.829 11.507 9.013 1.00 0.00 C ATOM 1413 CD GLN A 94 -1.576 10.022 8.849 1.00 0.00 C ATOM 1414 OE1 GLN A 94 -2.492 9.207 8.973 1.00 0.00 O ATOM 1415 NE2 GLN A 94 -0.330 9.660 8.568 1.00 0.00 N ATOM 0 H GLN A 94 -3.932 13.906 6.231 1.00 0.00 H new ATOM 0 HA GLN A 94 -2.401 14.032 8.764 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -3.675 11.814 7.976 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -2.280 11.657 6.927 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.875 12.028 9.091 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -2.364 11.679 9.947 1.00 0.00 H new ATOM 0 HE21 GLN A 94 0.398 10.368 8.474 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -0.101 8.674 8.446 1.00 0.00 H new ATOM 1424 N ALA A 95 -0.218 14.330 7.590 1.00 0.00 N ATOM 1425 CA ALA A 95 1.007 14.719 6.902 1.00 0.00 C ATOM 1426 C ALA A 95 1.762 13.497 6.391 1.00 0.00 C ATOM 1427 O ALA A 95 2.508 12.861 7.134 1.00 0.00 O ATOM 1428 CB ALA A 95 1.893 15.541 7.826 1.00 0.00 C ATOM 0 H ALA A 95 -0.148 14.327 8.608 1.00 0.00 H new ATOM 0 HA ALA A 95 0.733 15.329 6.042 1.00 0.00 H new ATOM 0 HB1 ALA A 95 2.804 15.825 7.299 1.00 0.00 H new ATOM 0 HB2 ALA A 95 1.360 16.439 8.138 1.00 0.00 H new ATOM 0 HB3 ALA A 95 2.151 14.949 8.704 1.00 0.00 H new ATOM 1434 N ALA A 96 1.561 13.173 5.117 1.00 0.00 N ATOM 1435 CA ALA A 96 2.225 12.027 4.507 1.00 0.00 C ATOM 1436 C ALA A 96 3.724 12.270 4.369 1.00 0.00 C ATOM 1437 O ALA A 96 4.168 13.410 4.231 1.00 0.00 O ATOM 1438 CB ALA A 96 1.610 11.724 3.149 1.00 0.00 C ATOM 0 H ALA A 96 0.944 13.688 4.488 1.00 0.00 H new ATOM 0 HA ALA A 96 2.082 11.165 5.159 1.00 0.00 H new ATOM 0 HB1 ALA A 96 2.115 10.866 2.704 1.00 0.00 H new ATOM 0 HB2 ALA A 96 0.551 11.498 3.272 1.00 0.00 H new ATOM 0 HB3 ALA A 96 1.723 12.590 2.497 1.00 0.00 H new ATOM 1444 N VAL A 97 4.499 11.191 4.408 1.00 0.00 N ATOM 1445 CA VAL A 97 5.949 11.288 4.287 1.00 0.00 C ATOM 1446 C VAL A 97 6.464 10.421 3.143 1.00 0.00 C ATOM 1447 O VAL A 97 5.827 9.440 2.759 1.00 0.00 O ATOM 1448 CB VAL A 97 6.651 10.866 5.592 1.00 0.00 C ATOM 1449 CG1 VAL A 97 6.242 11.779 6.737 1.00 0.00 C ATOM 1450 CG2 VAL A 97 6.337 9.414 5.919 1.00 0.00 C ATOM 0 H VAL A 97 4.148 10.240 4.522 1.00 0.00 H new ATOM 0 HA VAL A 97 6.180 12.333 4.080 1.00 0.00 H new ATOM 0 HB VAL A 97 7.728 10.959 5.452 1.00 0.00 H new ATOM 0 HG11 VAL A 97 6.748 11.466 7.650 1.00 0.00 H new ATOM 0 HG12 VAL A 97 6.522 12.806 6.501 1.00 0.00 H new ATOM 0 HG13 VAL A 97 5.163 11.721 6.881 1.00 0.00 H new ATOM 0 HG21 VAL A 97 6.841 9.132 6.844 1.00 0.00 H new ATOM 0 HG22 VAL A 97 5.261 9.293 6.041 1.00 0.00 H new ATOM 0 HG23 VAL A 97 6.684 8.775 5.107 1.00 0.00 H new ATOM 1460 N ALA A 98 7.621 10.789 2.603 1.00 0.00 N ATOM 1461 CA ALA A 98 8.223 10.044 1.505 1.00 0.00 C ATOM 1462 C ALA A 98 9.643 9.608 1.850 1.00 0.00 C ATOM 1463 O ALA A 98 10.105 9.884 2.956 1.00 0.00 O ATOM 1464 CB ALA A 98 8.220 10.881 0.235 1.00 0.00 C ATOM 0 H ALA A 98 8.160 11.599 2.908 1.00 0.00 H new ATOM 0 HA ALA A 98 7.626 9.147 1.338 1.00 0.00 H new ATOM 0 HB1 ALA A 98 8.673 10.312 -0.577 1.00 0.00 H new ATOM 0 HB2 ALA A 98 7.194 11.137 -0.029 1.00 0.00 H new ATOM 0 HB3 ALA A 98 8.791 11.795 0.400 1.00 0.00 H new TER 1470 ALA A 98 HETATM 1471 ZN ZN A 201 9.203 -3.647 -4.073 1.00 0.00 ZN HETATM 1472 ZN ZN A 401 -11.750 -6.553 -7.379 1.00 0.00 ZN