USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 619 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 THR OG1 : rot 180:sc= -0.0679 USER MOD Set 1.2: A 63 TYR OH : rot 60:sc= 0.492 USER MOD Set 2.1: A 8 LYS NZ :NH3+ 155:sc= 0.819 (180deg=0.572) USER MOD Set 2.2: A 70 THR OG1 : rot 180:sc= -0.227 USER MOD Set 3.1: A 4 SER OG : rot 180:sc= -0.621 USER MOD Set 3.2: A 22 LYS NZ :NH3+ -127:sc= 0.454 (180deg=-0.262) USER MOD Single : A 11 THR OG1 : rot -75:sc= 0.141 USER MOD Single : A 12 THR OG1 : rot 71:sc= 0.343 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -160:sc= -0.259 USER MOD Single : A 31 MET CE :methyl -153:sc= -0.0306 (180deg=-1.04) USER MOD Single : A 33 LYS NZ :NH3+ 166:sc= 1.17 (180deg=1.05) USER MOD Single : A 35 LYS NZ :NH3+ -161:sc= 1.12 (180deg=0.849) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot -32:sc= -0.434 USER MOD Single : A 44 GLN : amide:sc= -1.03 K(o=-1,f=-0.1) USER MOD Single : A 49 TYR OH : rot 93:sc= 0.1 USER MOD Single : A 50 ASN : amide:sc= -0.0052 K(o=-0.0052,f=-0.91) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.459 USER MOD Single : A 64 ASN : amide:sc= -0.617 K(o=-0.62,f=-0.082) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.00932 USER MOD Single : A 74 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000454) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 28 N SER A 4 -2.600 -3.797 -2.257 1.00 0.00 N ATOM 29 CA SER A 4 -3.619 -2.754 -2.406 1.00 0.00 C ATOM 30 C SER A 4 -3.214 -1.781 -3.542 1.00 0.00 C ATOM 31 O SER A 4 -2.204 -1.987 -4.232 1.00 0.00 O ATOM 32 CB SER A 4 -3.763 -2.006 -1.063 1.00 0.00 C ATOM 33 OG SER A 4 -3.893 -2.915 0.018 1.00 0.00 O ATOM 0 HA SER A 4 -4.578 -3.199 -2.671 1.00 0.00 H new ATOM 0 HB2 SER A 4 -2.893 -1.369 -0.903 1.00 0.00 H new ATOM 0 HB3 SER A 4 -4.635 -1.352 -1.099 1.00 0.00 H new ATOM 0 HG SER A 4 -3.981 -2.416 0.857 1.00 0.00 H new ATOM 39 N LEU A 5 -4.004 -0.718 -3.709 1.00 0.00 N ATOM 40 CA LEU A 5 -3.803 0.317 -4.732 1.00 0.00 C ATOM 41 C LEU A 5 -4.457 1.628 -4.264 1.00 0.00 C ATOM 42 O LEU A 5 -5.253 1.627 -3.322 1.00 0.00 O ATOM 43 CB LEU A 5 -4.337 -0.195 -6.110 1.00 0.00 C ATOM 44 CG LEU A 5 -5.744 -0.900 -6.142 1.00 0.00 C ATOM 45 CD1 LEU A 5 -6.917 0.104 -6.156 1.00 0.00 C ATOM 46 CD2 LEU A 5 -5.840 -1.880 -7.329 1.00 0.00 C ATOM 0 H LEU A 5 -4.822 -0.547 -3.124 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.743 0.528 -4.872 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -4.374 0.656 -6.790 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.604 -0.894 -6.513 1.00 0.00 H new ATOM 0 HG LEU A 5 -5.832 -1.466 -5.215 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.861 -0.440 -6.178 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.876 0.724 -5.260 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.843 0.738 -7.040 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.821 -2.355 -7.330 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.699 -1.335 -8.263 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.068 -2.643 -7.234 1.00 0.00 H new ATOM 58 N GLU A 6 -4.097 2.746 -4.898 1.00 0.00 N ATOM 59 CA GLU A 6 -4.552 4.088 -4.483 1.00 0.00 C ATOM 60 C GLU A 6 -5.257 4.798 -5.649 1.00 0.00 C ATOM 61 O GLU A 6 -4.631 5.130 -6.657 1.00 0.00 O ATOM 62 CB GLU A 6 -3.344 4.913 -3.983 1.00 0.00 C ATOM 63 CG GLU A 6 -3.693 6.316 -3.447 1.00 0.00 C ATOM 64 CD GLU A 6 -2.443 7.148 -3.149 1.00 0.00 C ATOM 65 OE1 GLU A 6 -1.904 7.063 -2.022 1.00 0.00 O ATOM 66 OE2 GLU A 6 -1.963 7.864 -4.058 1.00 0.00 O ATOM 0 H GLU A 6 -3.483 2.754 -5.713 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.269 3.989 -3.668 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -2.842 4.353 -3.194 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -2.632 5.019 -4.801 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -4.310 6.839 -4.178 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -4.288 6.219 -2.539 1.00 0.00 H new ATOM 73 N ILE A 7 -6.569 5.006 -5.506 1.00 0.00 N ATOM 74 CA ILE A 7 -7.409 5.658 -6.527 1.00 0.00 C ATOM 75 C ILE A 7 -7.976 6.972 -5.983 1.00 0.00 C ATOM 76 O ILE A 7 -7.742 7.326 -4.821 1.00 0.00 O ATOM 77 CB ILE A 7 -8.583 4.715 -6.973 1.00 0.00 C ATOM 78 CG1 ILE A 7 -9.530 4.407 -5.758 1.00 0.00 C ATOM 79 CG2 ILE A 7 -8.024 3.413 -7.604 1.00 0.00 C ATOM 80 CD1 ILE A 7 -10.790 3.656 -6.108 1.00 0.00 C ATOM 0 H ILE A 7 -7.087 4.726 -4.673 1.00 0.00 H new ATOM 0 HA ILE A 7 -6.786 5.868 -7.396 1.00 0.00 H new ATOM 0 HB ILE A 7 -9.174 5.224 -7.734 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.973 3.829 -5.020 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.806 5.349 -5.284 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.851 2.771 -7.907 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -7.419 3.662 -8.476 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -7.408 2.890 -6.873 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -11.378 3.491 -5.205 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -11.375 4.238 -6.820 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -10.529 2.695 -6.552 1.00 0.00 H new ATOM 92 N LYS A 8 -8.730 7.690 -6.830 1.00 0.00 N ATOM 93 CA LYS A 8 -9.373 8.960 -6.457 1.00 0.00 C ATOM 94 C LYS A 8 -10.865 8.919 -6.832 1.00 0.00 C ATOM 95 O LYS A 8 -11.214 8.398 -7.888 1.00 0.00 O ATOM 96 CB LYS A 8 -8.680 10.140 -7.180 1.00 0.00 C ATOM 97 CG LYS A 8 -7.129 10.240 -6.990 1.00 0.00 C ATOM 98 CD LYS A 8 -6.326 9.892 -8.267 1.00 0.00 C ATOM 99 CE LYS A 8 -6.627 10.860 -9.424 1.00 0.00 C ATOM 100 NZ LYS A 8 -5.846 10.551 -10.646 1.00 0.00 N ATOM 0 H LYS A 8 -8.911 7.407 -7.793 1.00 0.00 H new ATOM 0 HA LYS A 8 -9.278 9.102 -5.380 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -8.892 10.063 -8.246 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -9.130 11.070 -6.832 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.874 11.252 -6.675 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.826 9.570 -6.186 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.260 9.918 -8.042 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.562 8.874 -8.576 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.691 10.821 -9.658 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -6.408 11.879 -9.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.350 10.912 -11.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.911 11.003 -10.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.728 9.521 -10.731 1.00 0.00 H new ATOM 114 N ILE A 9 -11.745 9.439 -5.947 1.00 0.00 N ATOM 115 CA ILE A 9 -13.196 9.534 -6.208 1.00 0.00 C ATOM 116 C ILE A 9 -13.614 11.020 -6.208 1.00 0.00 C ATOM 117 O ILE A 9 -13.780 11.636 -5.143 1.00 0.00 O ATOM 118 CB ILE A 9 -14.098 8.736 -5.168 1.00 0.00 C ATOM 119 CG1 ILE A 9 -13.812 7.185 -5.173 1.00 0.00 C ATOM 120 CG2 ILE A 9 -15.606 8.990 -5.450 1.00 0.00 C ATOM 121 CD1 ILE A 9 -12.519 6.745 -4.507 1.00 0.00 C ATOM 0 H ILE A 9 -11.469 9.803 -5.035 1.00 0.00 H new ATOM 0 HA ILE A 9 -13.365 9.070 -7.180 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.837 9.112 -4.179 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -14.642 6.681 -4.679 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.800 6.841 -6.207 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -16.209 8.437 -4.730 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -15.819 10.055 -5.359 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -15.849 8.656 -6.459 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.428 5.661 -4.570 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -11.673 7.210 -5.012 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -12.528 7.048 -3.460 1.00 0.00 H new ATOM 133 N ARG A 10 -13.715 11.588 -7.407 1.00 0.00 N ATOM 134 CA ARG A 10 -14.261 12.937 -7.628 1.00 0.00 C ATOM 135 C ARG A 10 -15.766 12.959 -7.288 1.00 0.00 C ATOM 136 O ARG A 10 -16.530 12.144 -7.801 1.00 0.00 O ATOM 137 CB ARG A 10 -14.034 13.347 -9.103 1.00 0.00 C ATOM 138 CG ARG A 10 -14.517 14.770 -9.473 1.00 0.00 C ATOM 139 CD ARG A 10 -14.391 15.052 -10.982 1.00 0.00 C ATOM 140 NE ARG A 10 -12.999 14.933 -11.459 1.00 0.00 N ATOM 141 CZ ARG A 10 -12.632 14.690 -12.730 1.00 0.00 C ATOM 142 NH1 ARG A 10 -13.532 14.482 -13.683 1.00 0.00 N ATOM 143 NH2 ARG A 10 -11.347 14.639 -13.041 1.00 0.00 N ATOM 0 H ARG A 10 -13.419 11.125 -8.266 1.00 0.00 H new ATOM 0 HA ARG A 10 -13.750 13.648 -6.978 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -12.969 13.273 -9.324 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -14.544 12.629 -9.746 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -15.557 14.890 -9.168 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -13.935 15.505 -8.918 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -15.023 14.356 -11.534 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -14.761 16.055 -11.194 1.00 0.00 H new ATOM 0 HE ARG A 10 -12.256 15.044 -10.769 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -14.527 14.504 -13.459 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -13.229 14.300 -14.640 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.641 14.784 -12.319 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -11.062 14.455 -14.003 1.00 0.00 H new ATOM 157 N THR A 11 -16.170 13.852 -6.391 1.00 0.00 N ATOM 158 CA THR A 11 -17.566 13.974 -5.949 1.00 0.00 C ATOM 159 C THR A 11 -18.383 14.928 -6.839 1.00 0.00 C ATOM 160 O THR A 11 -17.834 15.605 -7.720 1.00 0.00 O ATOM 161 CB THR A 11 -17.586 14.500 -4.491 1.00 0.00 C ATOM 162 OG1 THR A 11 -16.980 15.800 -4.455 1.00 0.00 O ATOM 163 CG2 THR A 11 -16.826 13.571 -3.545 1.00 0.00 C ATOM 0 H THR A 11 -15.540 14.518 -5.944 1.00 0.00 H new ATOM 0 HA THR A 11 -18.024 12.987 -6.018 1.00 0.00 H new ATOM 0 HB THR A 11 -18.624 14.546 -4.161 1.00 0.00 H new ATOM 0 HG1 THR A 11 -16.007 15.710 -4.534 1.00 0.00 H new ATOM 0 HG21 THR A 11 -16.863 13.973 -2.533 1.00 0.00 H new ATOM 0 HG22 THR A 11 -17.285 12.582 -3.559 1.00 0.00 H new ATOM 0 HG23 THR A 11 -15.788 13.494 -3.867 1.00 0.00 H new ATOM 171 N THR A 12 -19.701 14.988 -6.571 1.00 0.00 N ATOM 172 CA THR A 12 -20.596 16.027 -7.119 1.00 0.00 C ATOM 173 C THR A 12 -20.269 17.410 -6.523 1.00 0.00 C ATOM 174 O THR A 12 -20.697 18.437 -7.053 1.00 0.00 O ATOM 175 CB THR A 12 -22.093 15.658 -6.846 1.00 0.00 C ATOM 176 OG1 THR A 12 -22.224 15.130 -5.515 1.00 0.00 O ATOM 177 CG2 THR A 12 -22.641 14.646 -7.859 1.00 0.00 C ATOM 0 H THR A 12 -20.177 14.317 -5.968 1.00 0.00 H new ATOM 0 HA THR A 12 -20.437 16.075 -8.196 1.00 0.00 H new ATOM 0 HB THR A 12 -22.679 16.571 -6.951 1.00 0.00 H new ATOM 0 HG1 THR A 12 -22.105 15.852 -4.863 1.00 0.00 H new ATOM 0 HG21 THR A 12 -23.682 14.424 -7.625 1.00 0.00 H new ATOM 0 HG22 THR A 12 -22.576 15.065 -8.863 1.00 0.00 H new ATOM 0 HG23 THR A 12 -22.055 13.728 -7.810 1.00 0.00 H new ATOM 185 N GLU A 13 -19.513 17.415 -5.406 1.00 0.00 N ATOM 186 CA GLU A 13 -19.024 18.644 -4.763 1.00 0.00 C ATOM 187 C GLU A 13 -17.804 19.196 -5.533 1.00 0.00 C ATOM 188 O GLU A 13 -17.439 20.362 -5.381 1.00 0.00 O ATOM 189 CB GLU A 13 -18.653 18.363 -3.273 1.00 0.00 C ATOM 190 CG GLU A 13 -19.673 17.489 -2.496 1.00 0.00 C ATOM 191 CD GLU A 13 -21.136 17.955 -2.646 1.00 0.00 C ATOM 192 OE1 GLU A 13 -21.932 17.275 -3.334 1.00 0.00 O ATOM 193 OE2 GLU A 13 -21.491 19.018 -2.096 1.00 0.00 O ATOM 0 H GLU A 13 -19.226 16.562 -4.926 1.00 0.00 H new ATOM 0 HA GLU A 13 -19.815 19.393 -4.784 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -17.680 17.872 -3.243 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -18.546 19.316 -2.755 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -19.593 16.459 -2.843 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -19.408 17.491 -1.439 1.00 0.00 H new ATOM 200 N GLY A 14 -17.174 18.329 -6.353 1.00 0.00 N ATOM 201 CA GLY A 14 -16.042 18.709 -7.201 1.00 0.00 C ATOM 202 C GLY A 14 -14.706 18.228 -6.648 1.00 0.00 C ATOM 203 O GLY A 14 -13.746 18.048 -7.414 1.00 0.00 O ATOM 0 H GLY A 14 -17.441 17.348 -6.440 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -16.187 18.297 -8.200 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -16.019 19.794 -7.304 1.00 0.00 H new ATOM 207 N ARG A 15 -14.643 18.028 -5.313 1.00 0.00 N ATOM 208 CA ARG A 15 -13.425 17.557 -4.617 1.00 0.00 C ATOM 209 C ARG A 15 -13.106 16.092 -4.993 1.00 0.00 C ATOM 210 O ARG A 15 -14.009 15.261 -5.084 1.00 0.00 O ATOM 211 CB ARG A 15 -13.587 17.692 -3.083 1.00 0.00 C ATOM 212 CG ARG A 15 -14.771 16.900 -2.482 1.00 0.00 C ATOM 213 CD ARG A 15 -14.804 16.922 -0.958 1.00 0.00 C ATOM 214 NE ARG A 15 -14.924 18.293 -0.427 1.00 0.00 N ATOM 215 CZ ARG A 15 -14.828 18.630 0.867 1.00 0.00 C ATOM 216 NH1 ARG A 15 -14.547 17.738 1.794 1.00 0.00 N ATOM 217 NH2 ARG A 15 -15.008 19.889 1.232 1.00 0.00 N ATOM 0 H ARG A 15 -15.434 18.188 -4.689 1.00 0.00 H new ATOM 0 HA ARG A 15 -12.592 18.183 -4.937 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -12.666 17.360 -2.604 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -13.712 18.746 -2.837 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -15.705 17.312 -2.864 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -14.716 15.866 -2.822 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -15.643 16.322 -0.605 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -13.896 16.461 -0.569 1.00 0.00 H new ATOM 0 HE ARG A 15 -15.093 19.043 -1.097 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -14.396 16.763 1.535 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -14.480 18.022 2.771 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -15.219 20.598 0.530 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -14.936 20.150 2.215 1.00 0.00 H new ATOM 231 N THR A 16 -11.819 15.795 -5.185 1.00 0.00 N ATOM 232 CA THR A 16 -11.346 14.484 -5.647 1.00 0.00 C ATOM 233 C THR A 16 -10.639 13.750 -4.481 1.00 0.00 C ATOM 234 O THR A 16 -9.572 14.169 -4.026 1.00 0.00 O ATOM 235 CB THR A 16 -10.406 14.673 -6.878 1.00 0.00 C ATOM 236 OG1 THR A 16 -11.064 15.499 -7.848 1.00 0.00 O ATOM 237 CG2 THR A 16 -10.038 13.344 -7.542 1.00 0.00 C ATOM 0 H THR A 16 -11.066 16.464 -5.023 1.00 0.00 H new ATOM 0 HA THR A 16 -12.187 13.868 -5.965 1.00 0.00 H new ATOM 0 HB THR A 16 -9.487 15.136 -6.518 1.00 0.00 H new ATOM 0 HG1 THR A 16 -10.478 15.623 -8.624 1.00 0.00 H new ATOM 0 HG21 THR A 16 -9.383 13.531 -8.393 1.00 0.00 H new ATOM 0 HG22 THR A 16 -9.524 12.707 -6.822 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.945 12.845 -7.885 1.00 0.00 H new ATOM 245 N LEU A 17 -11.269 12.657 -4.014 1.00 0.00 N ATOM 246 CA LEU A 17 -10.926 11.963 -2.754 1.00 0.00 C ATOM 247 C LEU A 17 -9.937 10.817 -3.004 1.00 0.00 C ATOM 248 O LEU A 17 -10.339 9.709 -3.385 1.00 0.00 O ATOM 249 CB LEU A 17 -12.227 11.417 -2.100 1.00 0.00 C ATOM 250 CG LEU A 17 -13.348 12.472 -1.851 1.00 0.00 C ATOM 251 CD1 LEU A 17 -14.651 11.800 -1.377 1.00 0.00 C ATOM 252 CD2 LEU A 17 -12.881 13.570 -0.863 1.00 0.00 C ATOM 0 H LEU A 17 -12.046 12.221 -4.510 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.446 12.674 -2.082 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -12.629 10.629 -2.736 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -11.968 10.956 -1.147 1.00 0.00 H new ATOM 0 HG LEU A 17 -13.559 12.961 -2.802 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -15.414 12.561 -1.212 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -14.996 11.099 -2.137 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -14.466 11.264 -0.446 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -13.686 14.289 -0.711 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -12.618 13.113 0.091 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -12.010 14.081 -1.273 1.00 0.00 H new ATOM 264 N THR A 18 -8.647 11.099 -2.792 1.00 0.00 N ATOM 265 CA THR A 18 -7.574 10.120 -2.993 1.00 0.00 C ATOM 266 C THR A 18 -7.526 9.136 -1.797 1.00 0.00 C ATOM 267 O THR A 18 -7.036 9.489 -0.717 1.00 0.00 O ATOM 268 CB THR A 18 -6.199 10.846 -3.165 1.00 0.00 C ATOM 269 OG1 THR A 18 -6.336 11.926 -4.108 1.00 0.00 O ATOM 270 CG2 THR A 18 -5.090 9.889 -3.646 1.00 0.00 C ATOM 0 H THR A 18 -8.318 12.011 -2.477 1.00 0.00 H new ATOM 0 HA THR A 18 -7.777 9.555 -3.903 1.00 0.00 H new ATOM 0 HB THR A 18 -5.908 11.228 -2.187 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.474 12.380 -4.213 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.155 10.439 -3.751 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.960 9.088 -2.919 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.370 9.463 -4.609 1.00 0.00 H new ATOM 278 N VAL A 19 -8.092 7.928 -1.985 1.00 0.00 N ATOM 279 CA VAL A 19 -8.149 6.880 -0.942 1.00 0.00 C ATOM 280 C VAL A 19 -7.423 5.606 -1.409 1.00 0.00 C ATOM 281 O VAL A 19 -7.375 5.308 -2.613 1.00 0.00 O ATOM 282 CB VAL A 19 -9.642 6.532 -0.536 1.00 0.00 C ATOM 283 CG1 VAL A 19 -10.398 7.792 -0.028 1.00 0.00 C ATOM 284 CG2 VAL A 19 -10.419 5.845 -1.695 1.00 0.00 C ATOM 0 H VAL A 19 -8.524 7.649 -2.866 1.00 0.00 H new ATOM 0 HA VAL A 19 -7.644 7.277 -0.061 1.00 0.00 H new ATOM 0 HB VAL A 19 -9.588 5.816 0.285 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -11.418 7.520 0.242 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -9.887 8.195 0.846 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -10.420 8.545 -0.815 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.436 5.625 -1.371 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -10.449 6.510 -2.558 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.917 4.917 -1.970 1.00 0.00 H new ATOM 294 N ASP A 20 -6.854 4.861 -0.448 1.00 0.00 N ATOM 295 CA ASP A 20 -6.226 3.558 -0.718 1.00 0.00 C ATOM 296 C ASP A 20 -7.246 2.439 -0.417 1.00 0.00 C ATOM 297 O ASP A 20 -7.925 2.458 0.620 1.00 0.00 O ATOM 298 CB ASP A 20 -4.910 3.369 0.098 1.00 0.00 C ATOM 299 CG ASP A 20 -5.116 3.209 1.616 1.00 0.00 C ATOM 300 OD1 ASP A 20 -4.794 2.134 2.172 1.00 0.00 O ATOM 301 OD2 ASP A 20 -5.607 4.159 2.266 1.00 0.00 O ATOM 0 H ASP A 20 -6.816 5.142 0.532 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.942 3.512 -1.769 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.387 2.490 -0.279 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.261 4.227 -0.079 1.00 0.00 H new ATOM 306 N VAL A 21 -7.377 1.506 -1.363 1.00 0.00 N ATOM 307 CA VAL A 21 -8.307 0.362 -1.317 1.00 0.00 C ATOM 308 C VAL A 21 -7.669 -0.832 -2.043 1.00 0.00 C ATOM 309 O VAL A 21 -6.747 -0.661 -2.843 1.00 0.00 O ATOM 310 CB VAL A 21 -9.699 0.695 -1.995 1.00 0.00 C ATOM 311 CG1 VAL A 21 -10.589 1.594 -1.100 1.00 0.00 C ATOM 312 CG2 VAL A 21 -9.487 1.346 -3.395 1.00 0.00 C ATOM 0 H VAL A 21 -6.819 1.522 -2.217 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.495 0.127 -0.269 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.227 -0.250 -2.124 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -11.532 1.794 -1.609 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -10.787 1.086 -0.156 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -10.075 2.535 -0.905 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -10.455 1.567 -3.844 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -8.919 2.270 -3.284 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.938 0.657 -4.037 1.00 0.00 H new ATOM 322 N LYS A 22 -8.176 -2.031 -1.772 1.00 0.00 N ATOM 323 CA LYS A 22 -7.661 -3.277 -2.364 1.00 0.00 C ATOM 324 C LYS A 22 -8.569 -3.679 -3.545 1.00 0.00 C ATOM 325 O LYS A 22 -9.765 -3.414 -3.486 1.00 0.00 O ATOM 326 CB LYS A 22 -7.629 -4.367 -1.258 1.00 0.00 C ATOM 327 CG LYS A 22 -6.978 -3.867 0.061 1.00 0.00 C ATOM 328 CD LYS A 22 -6.915 -4.927 1.175 1.00 0.00 C ATOM 329 CE LYS A 22 -5.971 -6.084 0.822 1.00 0.00 C ATOM 330 NZ LYS A 22 -4.573 -5.618 0.604 1.00 0.00 N ATOM 0 H LYS A 22 -8.959 -2.174 -1.134 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.649 -3.149 -2.749 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.646 -4.700 -1.052 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.078 -5.234 -1.624 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -5.967 -3.522 -0.154 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.538 -3.006 0.426 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.582 -4.459 2.101 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -7.915 -5.319 1.358 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.986 -6.822 1.624 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -6.331 -6.584 -0.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.234 -5.958 -0.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.547 -4.578 0.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.961 -5.992 1.357 1.00 0.00 H new ATOM 344 N PRO A 23 -8.034 -4.321 -4.640 1.00 0.00 N ATOM 345 CA PRO A 23 -8.865 -4.733 -5.814 1.00 0.00 C ATOM 346 C PRO A 23 -9.904 -5.821 -5.444 1.00 0.00 C ATOM 347 O PRO A 23 -10.906 -6.007 -6.142 1.00 0.00 O ATOM 348 CB PRO A 23 -7.814 -5.244 -6.839 1.00 0.00 C ATOM 349 CG PRO A 23 -6.643 -5.665 -5.995 1.00 0.00 C ATOM 350 CD PRO A 23 -6.605 -4.701 -4.826 1.00 0.00 C ATOM 0 HA PRO A 23 -9.471 -3.917 -6.207 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -8.202 -6.078 -7.424 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -7.534 -4.462 -7.545 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -6.759 -6.692 -5.650 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.715 -5.624 -6.566 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -6.195 -5.171 -3.932 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -5.984 -3.832 -5.043 1.00 0.00 H new ATOM 358 N ASP A 24 -9.652 -6.500 -4.313 1.00 0.00 N ATOM 359 CA ASP A 24 -10.533 -7.543 -3.753 1.00 0.00 C ATOM 360 C ASP A 24 -11.753 -6.936 -3.033 1.00 0.00 C ATOM 361 O ASP A 24 -12.716 -7.652 -2.720 1.00 0.00 O ATOM 362 CB ASP A 24 -9.713 -8.418 -2.773 1.00 0.00 C ATOM 363 CG ASP A 24 -8.518 -9.096 -3.456 1.00 0.00 C ATOM 364 OD1 ASP A 24 -7.443 -8.459 -3.583 1.00 0.00 O ATOM 365 OD2 ASP A 24 -8.653 -10.254 -3.907 1.00 0.00 O ATOM 0 H ASP A 24 -8.816 -6.338 -3.751 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.914 -8.152 -4.573 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.355 -7.799 -1.950 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.361 -9.180 -2.340 1.00 0.00 H new ATOM 370 N ARG A 25 -11.708 -5.611 -2.777 1.00 0.00 N ATOM 371 CA ARG A 25 -12.806 -4.880 -2.120 1.00 0.00 C ATOM 372 C ARG A 25 -13.976 -4.697 -3.103 1.00 0.00 C ATOM 373 O ARG A 25 -13.803 -4.838 -4.321 1.00 0.00 O ATOM 374 CB ARG A 25 -12.304 -3.500 -1.601 1.00 0.00 C ATOM 375 CG ARG A 25 -11.230 -3.569 -0.481 1.00 0.00 C ATOM 376 CD ARG A 25 -11.761 -4.155 0.842 1.00 0.00 C ATOM 377 NE ARG A 25 -10.681 -4.365 1.824 1.00 0.00 N ATOM 378 CZ ARG A 25 -10.718 -4.015 3.122 1.00 0.00 C ATOM 379 NH1 ARG A 25 -11.714 -3.293 3.614 1.00 0.00 N ATOM 380 NH2 ARG A 25 -9.728 -4.370 3.918 1.00 0.00 N ATOM 0 H ARG A 25 -10.911 -5.022 -3.020 1.00 0.00 H new ATOM 0 HA ARG A 25 -13.156 -5.459 -1.265 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -11.895 -2.940 -2.442 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -13.159 -2.936 -1.229 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -10.393 -4.175 -0.828 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -10.843 -2.567 -0.296 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -12.508 -3.482 1.263 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -12.261 -5.103 0.644 1.00 0.00 H new ATOM 0 HE ARG A 25 -9.830 -4.816 1.489 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -12.474 -2.991 3.005 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -11.721 -3.040 4.602 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.943 -4.906 3.548 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -9.748 -4.109 4.904 1.00 0.00 H new ATOM 394 N THR A 26 -15.161 -4.390 -2.565 1.00 0.00 N ATOM 395 CA THR A 26 -16.377 -4.161 -3.365 1.00 0.00 C ATOM 396 C THR A 26 -16.517 -2.675 -3.709 1.00 0.00 C ATOM 397 O THR A 26 -15.809 -1.828 -3.150 1.00 0.00 O ATOM 398 CB THR A 26 -17.644 -4.650 -2.599 1.00 0.00 C ATOM 399 OG1 THR A 26 -17.750 -3.947 -1.346 1.00 0.00 O ATOM 400 CG2 THR A 26 -17.595 -6.169 -2.340 1.00 0.00 C ATOM 0 H THR A 26 -15.308 -4.292 -1.560 1.00 0.00 H new ATOM 0 HA THR A 26 -16.287 -4.733 -4.289 1.00 0.00 H new ATOM 0 HB THR A 26 -18.517 -4.442 -3.218 1.00 0.00 H new ATOM 0 HG1 THR A 26 -18.329 -4.450 -0.737 1.00 0.00 H new ATOM 0 HG21 THR A 26 -18.493 -6.476 -1.804 1.00 0.00 H new ATOM 0 HG22 THR A 26 -17.541 -6.699 -3.291 1.00 0.00 H new ATOM 0 HG23 THR A 26 -16.716 -6.408 -1.741 1.00 0.00 H new ATOM 408 N ILE A 27 -17.421 -2.354 -4.641 1.00 0.00 N ATOM 409 CA ILE A 27 -17.721 -0.960 -4.989 1.00 0.00 C ATOM 410 C ILE A 27 -18.444 -0.291 -3.801 1.00 0.00 C ATOM 411 O ILE A 27 -18.286 0.903 -3.580 1.00 0.00 O ATOM 412 CB ILE A 27 -18.552 -0.854 -6.322 1.00 0.00 C ATOM 413 CG1 ILE A 27 -17.785 -1.521 -7.513 1.00 0.00 C ATOM 414 CG2 ILE A 27 -18.927 0.611 -6.667 1.00 0.00 C ATOM 415 CD1 ILE A 27 -16.424 -0.917 -7.843 1.00 0.00 C ATOM 0 H ILE A 27 -17.959 -3.042 -5.169 1.00 0.00 H new ATOM 0 HA ILE A 27 -16.787 -0.431 -5.178 1.00 0.00 H new ATOM 0 HB ILE A 27 -19.484 -1.396 -6.158 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -17.648 -2.578 -7.286 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -18.412 -1.465 -8.402 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -19.499 0.631 -7.594 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -19.528 1.032 -5.861 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -18.018 1.200 -6.788 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -15.981 -1.454 -8.682 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -16.547 0.133 -8.108 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -15.770 -0.998 -6.975 1.00 0.00 H new ATOM 427 N GLU A 28 -19.183 -1.110 -3.005 1.00 0.00 N ATOM 428 CA GLU A 28 -19.776 -0.689 -1.708 1.00 0.00 C ATOM 429 C GLU A 28 -18.716 -0.119 -0.746 1.00 0.00 C ATOM 430 O GLU A 28 -19.012 0.805 0.018 1.00 0.00 O ATOM 431 CB GLU A 28 -20.494 -1.883 -1.028 1.00 0.00 C ATOM 432 CG GLU A 28 -21.812 -2.284 -1.698 1.00 0.00 C ATOM 433 CD GLU A 28 -22.451 -3.537 -1.098 1.00 0.00 C ATOM 434 OE1 GLU A 28 -21.981 -4.653 -1.405 1.00 0.00 O ATOM 435 OE2 GLU A 28 -23.426 -3.416 -0.325 1.00 0.00 O ATOM 0 H GLU A 28 -19.384 -2.081 -3.245 1.00 0.00 H new ATOM 0 HA GLU A 28 -20.496 0.100 -1.928 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -19.824 -2.743 -1.026 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -20.691 -1.629 0.014 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -22.516 -1.455 -1.620 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -21.633 -2.451 -2.760 1.00 0.00 H new ATOM 442 N GLU A 29 -17.501 -0.706 -0.777 1.00 0.00 N ATOM 443 CA GLU A 29 -16.341 -0.187 -0.032 1.00 0.00 C ATOM 444 C GLU A 29 -16.004 1.229 -0.493 1.00 0.00 C ATOM 445 O GLU A 29 -15.822 2.096 0.334 1.00 0.00 O ATOM 446 CB GLU A 29 -15.101 -1.116 -0.189 1.00 0.00 C ATOM 447 CG GLU A 29 -15.205 -2.460 0.550 1.00 0.00 C ATOM 448 CD GLU A 29 -15.122 -2.301 2.076 1.00 0.00 C ATOM 449 OE1 GLU A 29 -16.114 -2.577 2.781 1.00 0.00 O ATOM 450 OE2 GLU A 29 -14.047 -1.893 2.574 1.00 0.00 O ATOM 0 H GLU A 29 -17.300 -1.548 -1.317 1.00 0.00 H new ATOM 0 HA GLU A 29 -16.608 -0.162 1.025 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -14.943 -1.312 -1.250 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.220 -0.586 0.172 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -16.147 -2.942 0.289 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -14.405 -3.119 0.213 1.00 0.00 H new ATOM 457 N LEU A 30 -15.969 1.456 -1.816 1.00 0.00 N ATOM 458 CA LEU A 30 -15.675 2.792 -2.388 1.00 0.00 C ATOM 459 C LEU A 30 -16.724 3.815 -1.950 1.00 0.00 C ATOM 460 O LEU A 30 -16.379 4.937 -1.575 1.00 0.00 O ATOM 461 CB LEU A 30 -15.619 2.729 -3.931 1.00 0.00 C ATOM 462 CG LEU A 30 -14.619 1.689 -4.515 1.00 0.00 C ATOM 463 CD1 LEU A 30 -14.622 1.690 -6.058 1.00 0.00 C ATOM 464 CD2 LEU A 30 -13.195 1.906 -3.952 1.00 0.00 C ATOM 0 H LEU A 30 -16.140 0.734 -2.516 1.00 0.00 H new ATOM 0 HA LEU A 30 -14.701 3.106 -2.013 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -16.617 2.500 -4.306 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -15.355 3.716 -4.310 1.00 0.00 H new ATOM 0 HG LEU A 30 -14.956 0.702 -4.197 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -13.910 0.950 -6.424 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -15.620 1.443 -6.420 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -14.338 2.677 -6.422 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -12.519 1.165 -4.378 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.849 2.906 -4.213 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.213 1.800 -2.867 1.00 0.00 H new ATOM 476 N MET A 31 -18.000 3.381 -1.990 1.00 0.00 N ATOM 477 CA MET A 31 -19.164 4.175 -1.575 1.00 0.00 C ATOM 478 C MET A 31 -19.057 4.534 -0.076 1.00 0.00 C ATOM 479 O MET A 31 -19.418 5.637 0.335 1.00 0.00 O ATOM 480 CB MET A 31 -20.490 3.419 -1.899 1.00 0.00 C ATOM 481 CG MET A 31 -20.598 2.939 -3.363 1.00 0.00 C ATOM 482 SD MET A 31 -22.285 2.642 -3.947 1.00 0.00 S ATOM 483 CE MET A 31 -22.728 4.251 -4.608 1.00 0.00 C ATOM 0 H MET A 31 -18.250 2.449 -2.319 1.00 0.00 H new ATOM 0 HA MET A 31 -19.178 5.107 -2.140 1.00 0.00 H new ATOM 0 HB2 MET A 31 -20.576 2.557 -1.238 1.00 0.00 H new ATOM 0 HB3 MET A 31 -21.333 4.074 -1.679 1.00 0.00 H new ATOM 0 HG2 MET A 31 -20.131 3.683 -4.009 1.00 0.00 H new ATOM 0 HG3 MET A 31 -20.025 2.018 -3.471 1.00 0.00 H new ATOM 0 HE1 MET A 31 -23.809 4.380 -4.557 1.00 0.00 H new ATOM 0 HE2 MET A 31 -22.241 5.031 -4.023 1.00 0.00 H new ATOM 0 HE3 MET A 31 -22.403 4.320 -5.646 1.00 0.00 H new ATOM 493 N GLU A 32 -18.501 3.599 0.715 1.00 0.00 N ATOM 494 CA GLU A 32 -18.233 3.797 2.150 1.00 0.00 C ATOM 495 C GLU A 32 -17.166 4.881 2.365 1.00 0.00 C ATOM 496 O GLU A 32 -17.339 5.774 3.203 1.00 0.00 O ATOM 497 CB GLU A 32 -17.746 2.472 2.782 1.00 0.00 C ATOM 498 CG GLU A 32 -17.497 2.533 4.300 1.00 0.00 C ATOM 499 CD GLU A 32 -17.090 1.189 4.908 1.00 0.00 C ATOM 500 OE1 GLU A 32 -17.860 0.642 5.729 1.00 0.00 O ATOM 501 OE2 GLU A 32 -16.018 0.657 4.550 1.00 0.00 O ATOM 0 H GLU A 32 -18.223 2.679 0.374 1.00 0.00 H new ATOM 0 HA GLU A 32 -19.160 4.117 2.627 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -18.485 1.697 2.580 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -16.823 2.168 2.289 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -16.716 3.266 4.503 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -18.402 2.887 4.794 1.00 0.00 H new ATOM 508 N LYS A 33 -16.063 4.765 1.599 1.00 0.00 N ATOM 509 CA LYS A 33 -14.895 5.654 1.731 1.00 0.00 C ATOM 510 C LYS A 33 -15.300 7.107 1.434 1.00 0.00 C ATOM 511 O LYS A 33 -15.087 7.985 2.256 1.00 0.00 O ATOM 512 CB LYS A 33 -13.692 5.238 0.810 1.00 0.00 C ATOM 513 CG LYS A 33 -13.288 3.740 0.815 1.00 0.00 C ATOM 514 CD LYS A 33 -13.362 3.058 2.208 1.00 0.00 C ATOM 515 CE LYS A 33 -13.066 1.543 2.129 1.00 0.00 C ATOM 516 NZ LYS A 33 -13.328 0.845 3.412 1.00 0.00 N ATOM 0 H LYS A 33 -15.958 4.055 0.874 1.00 0.00 H new ATOM 0 HA LYS A 33 -14.551 5.563 2.761 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -13.936 5.520 -0.214 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -12.822 5.825 1.103 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -13.936 3.200 0.125 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -12.271 3.650 0.434 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -12.648 3.532 2.882 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -14.353 3.212 2.634 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -13.678 1.097 1.345 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -12.024 1.394 1.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -13.346 -0.182 3.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -12.576 1.075 4.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -14.246 1.152 3.793 1.00 0.00 H new ATOM 530 N LEU A 34 -15.928 7.333 0.264 1.00 0.00 N ATOM 531 CA LEU A 34 -16.363 8.682 -0.162 1.00 0.00 C ATOM 532 C LEU A 34 -17.398 9.272 0.823 1.00 0.00 C ATOM 533 O LEU A 34 -17.402 10.479 1.060 1.00 0.00 O ATOM 534 CB LEU A 34 -16.871 8.649 -1.645 1.00 0.00 C ATOM 535 CG LEU A 34 -18.063 7.679 -1.982 1.00 0.00 C ATOM 536 CD1 LEU A 34 -19.452 8.325 -1.759 1.00 0.00 C ATOM 537 CD2 LEU A 34 -17.947 7.105 -3.411 1.00 0.00 C ATOM 0 H LEU A 34 -16.147 6.597 -0.407 1.00 0.00 H new ATOM 0 HA LEU A 34 -15.507 9.356 -0.137 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -17.172 9.660 -1.920 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -16.029 8.382 -2.283 1.00 0.00 H new ATOM 0 HG LEU A 34 -17.983 6.853 -1.275 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -20.232 7.606 -2.009 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -19.552 8.621 -0.715 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -19.551 9.204 -2.396 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -18.789 6.440 -3.605 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -17.955 7.922 -4.133 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -17.015 6.548 -3.505 1.00 0.00 H new ATOM 549 N LYS A 35 -18.230 8.403 1.438 1.00 0.00 N ATOM 550 CA LYS A 35 -19.209 8.814 2.468 1.00 0.00 C ATOM 551 C LYS A 35 -18.509 9.373 3.723 1.00 0.00 C ATOM 552 O LYS A 35 -18.865 10.439 4.214 1.00 0.00 O ATOM 553 CB LYS A 35 -20.110 7.610 2.839 1.00 0.00 C ATOM 554 CG LYS A 35 -21.095 7.828 4.016 1.00 0.00 C ATOM 555 CD LYS A 35 -22.063 9.016 3.804 1.00 0.00 C ATOM 556 CE LYS A 35 -23.068 9.178 4.957 1.00 0.00 C ATOM 557 NZ LYS A 35 -23.930 10.376 4.788 1.00 0.00 N ATOM 0 H LYS A 35 -18.242 7.403 1.236 1.00 0.00 H new ATOM 0 HA LYS A 35 -19.825 9.613 2.056 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -20.687 7.329 1.958 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -19.468 6.764 3.082 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -21.677 6.918 4.164 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -20.524 7.994 4.930 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -21.486 9.935 3.699 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -22.608 8.873 2.871 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -23.694 8.288 5.018 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -22.527 9.252 5.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -24.353 10.631 5.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -23.356 11.170 4.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -24.685 10.167 4.104 1.00 0.00 H new ATOM 571 N GLU A 36 -17.499 8.655 4.233 1.00 0.00 N ATOM 572 CA GLU A 36 -16.778 9.059 5.462 1.00 0.00 C ATOM 573 C GLU A 36 -15.785 10.215 5.180 1.00 0.00 C ATOM 574 O GLU A 36 -15.311 10.868 6.119 1.00 0.00 O ATOM 575 CB GLU A 36 -16.077 7.834 6.107 1.00 0.00 C ATOM 576 CG GLU A 36 -15.012 7.157 5.225 1.00 0.00 C ATOM 577 CD GLU A 36 -14.477 5.846 5.811 1.00 0.00 C ATOM 578 OE1 GLU A 36 -13.514 5.890 6.612 1.00 0.00 O ATOM 579 OE2 GLU A 36 -15.027 4.768 5.499 1.00 0.00 O ATOM 0 H GLU A 36 -17.157 7.789 3.817 1.00 0.00 H new ATOM 0 HA GLU A 36 -17.506 9.439 6.179 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -15.608 8.151 7.038 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -16.835 7.095 6.367 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -15.438 6.959 4.242 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -14.181 7.847 5.079 1.00 0.00 H new ATOM 586 N GLN A 37 -15.494 10.477 3.885 1.00 0.00 N ATOM 587 CA GLN A 37 -14.609 11.589 3.455 1.00 0.00 C ATOM 588 C GLN A 37 -15.394 12.914 3.357 1.00 0.00 C ATOM 589 O GLN A 37 -15.187 13.827 4.163 1.00 0.00 O ATOM 590 CB GLN A 37 -13.934 11.251 2.091 1.00 0.00 C ATOM 591 CG GLN A 37 -12.923 10.089 2.126 1.00 0.00 C ATOM 592 CD GLN A 37 -11.616 10.449 2.827 1.00 0.00 C ATOM 593 OE1 GLN A 37 -11.488 10.334 4.044 1.00 0.00 O ATOM 594 NE2 GLN A 37 -10.619 10.838 2.052 1.00 0.00 N ATOM 0 H GLN A 37 -15.864 9.927 3.110 1.00 0.00 H new ATOM 0 HA GLN A 37 -13.830 11.713 4.207 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -14.714 11.011 1.368 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.425 12.143 1.726 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -13.376 9.237 2.632 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -12.705 9.775 1.105 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -10.759 10.923 1.045 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.709 11.053 2.461 1.00 0.00 H new ATOM 603 N THR A 38 -16.313 12.996 2.382 1.00 0.00 N ATOM 604 CA THR A 38 -17.017 14.256 2.032 1.00 0.00 C ATOM 605 C THR A 38 -18.404 14.350 2.708 1.00 0.00 C ATOM 606 O THR A 38 -19.018 15.421 2.705 1.00 0.00 O ATOM 607 CB THR A 38 -17.161 14.393 0.474 1.00 0.00 C ATOM 608 OG1 THR A 38 -17.730 15.666 0.102 1.00 0.00 O ATOM 609 CG2 THR A 38 -18.005 13.267 -0.128 1.00 0.00 C ATOM 0 H THR A 38 -16.594 12.198 1.812 1.00 0.00 H new ATOM 0 HA THR A 38 -16.411 15.080 2.408 1.00 0.00 H new ATOM 0 HB THR A 38 -16.151 14.323 0.071 1.00 0.00 H new ATOM 0 HG1 THR A 38 -18.356 15.960 0.796 1.00 0.00 H new ATOM 0 HG21 THR A 38 -18.077 13.403 -1.207 1.00 0.00 H new ATOM 0 HG22 THR A 38 -17.536 12.307 0.086 1.00 0.00 H new ATOM 0 HG23 THR A 38 -19.004 13.288 0.308 1.00 0.00 H new ATOM 617 N GLY A 39 -18.908 13.224 3.257 1.00 0.00 N ATOM 618 CA GLY A 39 -20.150 13.215 4.047 1.00 0.00 C ATOM 619 C GLY A 39 -21.418 12.926 3.248 1.00 0.00 C ATOM 620 O GLY A 39 -22.460 12.636 3.850 1.00 0.00 O ATOM 0 H GLY A 39 -18.469 12.308 3.165 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -20.057 12.468 4.835 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -20.259 14.183 4.536 1.00 0.00 H new ATOM 624 N VAL A 40 -21.347 13.006 1.909 1.00 0.00 N ATOM 625 CA VAL A 40 -22.534 12.873 1.037 1.00 0.00 C ATOM 626 C VAL A 40 -23.018 11.387 0.989 1.00 0.00 C ATOM 627 O VAL A 40 -22.191 10.478 0.821 1.00 0.00 O ATOM 628 CB VAL A 40 -22.247 13.460 -0.415 1.00 0.00 C ATOM 629 CG1 VAL A 40 -21.321 12.549 -1.260 1.00 0.00 C ATOM 630 CG2 VAL A 40 -23.557 13.791 -1.174 1.00 0.00 C ATOM 0 H VAL A 40 -20.476 13.163 1.401 1.00 0.00 H new ATOM 0 HA VAL A 40 -23.345 13.465 1.462 1.00 0.00 H new ATOM 0 HB VAL A 40 -21.708 14.395 -0.260 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -21.161 13.001 -2.239 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -20.363 12.434 -0.753 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -21.786 11.571 -1.383 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -23.316 14.189 -2.160 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -24.153 12.885 -1.284 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -24.125 14.533 -0.613 1.00 0.00 H new ATOM 640 N PRO A 41 -24.356 11.104 1.219 1.00 0.00 N ATOM 641 CA PRO A 41 -24.904 9.724 1.208 1.00 0.00 C ATOM 642 C PRO A 41 -24.815 9.068 -0.198 1.00 0.00 C ATOM 643 O PRO A 41 -25.378 9.601 -1.160 1.00 0.00 O ATOM 644 CB PRO A 41 -26.375 9.908 1.679 1.00 0.00 C ATOM 645 CG PRO A 41 -26.707 11.328 1.340 1.00 0.00 C ATOM 646 CD PRO A 41 -25.419 12.100 1.535 1.00 0.00 C ATOM 0 HA PRO A 41 -24.342 9.047 1.851 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -27.043 9.213 1.171 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -26.475 9.722 2.748 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -27.065 11.414 0.314 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -27.497 11.712 1.986 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -25.367 12.964 0.873 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -25.327 12.473 2.555 1.00 0.00 H new ATOM 654 N PRO A 42 -24.134 7.877 -0.314 1.00 0.00 N ATOM 655 CA PRO A 42 -23.802 7.238 -1.619 1.00 0.00 C ATOM 656 C PRO A 42 -25.035 6.707 -2.370 1.00 0.00 C ATOM 657 O PRO A 42 -24.949 6.397 -3.556 1.00 0.00 O ATOM 658 CB PRO A 42 -22.845 6.075 -1.229 1.00 0.00 C ATOM 659 CG PRO A 42 -22.472 6.329 0.201 1.00 0.00 C ATOM 660 CD PRO A 42 -23.651 7.035 0.808 1.00 0.00 C ATOM 0 HA PRO A 42 -23.359 7.956 -2.309 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -23.336 5.108 -1.341 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -21.963 6.061 -1.869 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -22.263 5.395 0.723 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -21.572 6.940 0.269 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -24.414 6.334 1.147 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -23.364 7.635 1.671 1.00 0.00 H new ATOM 668 N GLU A 43 -26.162 6.595 -1.650 1.00 0.00 N ATOM 669 CA GLU A 43 -27.472 6.221 -2.216 1.00 0.00 C ATOM 670 C GLU A 43 -27.920 7.226 -3.314 1.00 0.00 C ATOM 671 O GLU A 43 -28.618 6.858 -4.266 1.00 0.00 O ATOM 672 CB GLU A 43 -28.515 6.164 -1.070 1.00 0.00 C ATOM 673 CG GLU A 43 -28.634 7.486 -0.271 1.00 0.00 C ATOM 674 CD GLU A 43 -29.624 7.412 0.894 1.00 0.00 C ATOM 675 OE1 GLU A 43 -29.190 7.274 2.061 1.00 0.00 O ATOM 676 OE2 GLU A 43 -30.842 7.483 0.642 1.00 0.00 O ATOM 0 H GLU A 43 -26.192 6.763 -0.644 1.00 0.00 H new ATOM 0 HA GLU A 43 -27.389 5.242 -2.688 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -29.490 5.914 -1.489 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -28.247 5.359 -0.386 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -27.651 7.757 0.115 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -28.941 8.283 -0.948 1.00 0.00 H new ATOM 683 N GLN A 44 -27.489 8.494 -3.156 1.00 0.00 N ATOM 684 CA GLN A 44 -27.788 9.588 -4.101 1.00 0.00 C ATOM 685 C GLN A 44 -26.703 9.719 -5.184 1.00 0.00 C ATOM 686 O GLN A 44 -26.760 10.649 -5.997 1.00 0.00 O ATOM 687 CB GLN A 44 -27.893 10.934 -3.329 1.00 0.00 C ATOM 688 CG GLN A 44 -28.971 10.974 -2.236 1.00 0.00 C ATOM 689 CD GLN A 44 -29.069 12.322 -1.507 1.00 0.00 C ATOM 690 OE1 GLN A 44 -30.147 12.725 -1.091 1.00 0.00 O ATOM 691 NE2 GLN A 44 -27.952 13.022 -1.332 1.00 0.00 N ATOM 0 H GLN A 44 -26.919 8.789 -2.363 1.00 0.00 H new ATOM 0 HA GLN A 44 -28.734 9.352 -4.588 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -26.927 11.150 -2.873 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -28.093 11.731 -4.045 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -29.937 10.743 -2.684 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -28.763 10.192 -1.506 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -27.065 12.665 -1.688 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -27.982 13.916 -0.842 1.00 0.00 H new ATOM 700 N LEU A 45 -25.698 8.819 -5.172 1.00 0.00 N ATOM 701 CA LEU A 45 -24.538 8.883 -6.089 1.00 0.00 C ATOM 702 C LEU A 45 -24.322 7.558 -6.833 1.00 0.00 C ATOM 703 O LEU A 45 -24.824 6.501 -6.437 1.00 0.00 O ATOM 704 CB LEU A 45 -23.221 9.272 -5.331 1.00 0.00 C ATOM 705 CG LEU A 45 -23.084 10.758 -4.838 1.00 0.00 C ATOM 706 CD1 LEU A 45 -23.474 11.754 -5.950 1.00 0.00 C ATOM 707 CD2 LEU A 45 -23.871 11.016 -3.544 1.00 0.00 C ATOM 0 H LEU A 45 -25.666 8.028 -4.528 1.00 0.00 H new ATOM 0 HA LEU A 45 -24.770 9.660 -6.818 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -23.126 8.619 -4.464 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -22.378 9.055 -5.987 1.00 0.00 H new ATOM 0 HG LEU A 45 -22.033 10.921 -4.601 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -23.369 12.773 -5.579 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -22.821 11.612 -6.811 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -24.508 11.581 -6.247 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -23.745 12.056 -3.243 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -24.928 10.813 -3.714 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -23.498 10.363 -2.755 1.00 0.00 H new ATOM 719 N ARG A 46 -23.565 7.663 -7.938 1.00 0.00 N ATOM 720 CA ARG A 46 -23.081 6.531 -8.732 1.00 0.00 C ATOM 721 C ARG A 46 -21.558 6.625 -8.756 1.00 0.00 C ATOM 722 O ARG A 46 -21.026 7.685 -9.110 1.00 0.00 O ATOM 723 CB ARG A 46 -23.582 6.588 -10.207 1.00 0.00 C ATOM 724 CG ARG A 46 -25.060 6.937 -10.390 1.00 0.00 C ATOM 725 CD ARG A 46 -25.471 6.990 -11.867 1.00 0.00 C ATOM 726 NE ARG A 46 -26.773 7.632 -12.043 1.00 0.00 N ATOM 727 CZ ARG A 46 -27.606 7.443 -13.084 1.00 0.00 C ATOM 728 NH1 ARG A 46 -27.397 6.473 -13.959 1.00 0.00 N ATOM 729 NH2 ARG A 46 -28.661 8.207 -13.213 1.00 0.00 N ATOM 0 H ARG A 46 -23.267 8.565 -8.310 1.00 0.00 H new ATOM 0 HA ARG A 46 -23.448 5.607 -8.286 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -22.984 7.322 -10.747 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -23.395 5.620 -10.673 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -25.672 6.198 -9.872 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -25.263 7.902 -9.925 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -24.717 7.534 -12.435 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -25.506 5.978 -12.272 1.00 0.00 H new ATOM 0 HE ARG A 46 -27.076 8.279 -11.315 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -26.594 5.853 -13.851 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -28.039 6.345 -14.741 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -28.847 8.939 -12.528 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -29.297 8.070 -13.999 1.00 0.00 H new ATOM 743 N VAL A 47 -20.871 5.543 -8.393 1.00 0.00 N ATOM 744 CA VAL A 47 -19.423 5.430 -8.583 1.00 0.00 C ATOM 745 C VAL A 47 -19.168 5.147 -10.077 1.00 0.00 C ATOM 746 O VAL A 47 -19.676 4.168 -10.620 1.00 0.00 O ATOM 747 CB VAL A 47 -18.809 4.309 -7.671 1.00 0.00 C ATOM 748 CG1 VAL A 47 -17.302 4.132 -7.928 1.00 0.00 C ATOM 749 CG2 VAL A 47 -19.074 4.613 -6.181 1.00 0.00 C ATOM 0 H VAL A 47 -21.298 4.723 -7.961 1.00 0.00 H new ATOM 0 HA VAL A 47 -18.934 6.359 -8.290 1.00 0.00 H new ATOM 0 HB VAL A 47 -19.300 3.370 -7.927 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -16.912 3.348 -7.279 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -17.141 3.854 -8.970 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -16.785 5.068 -7.718 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -18.641 3.824 -5.566 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -18.620 5.569 -5.918 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -20.149 4.661 -6.005 1.00 0.00 H new ATOM 759 N ILE A 48 -18.428 6.051 -10.734 1.00 0.00 N ATOM 760 CA ILE A 48 -18.230 6.046 -12.195 1.00 0.00 C ATOM 761 C ILE A 48 -16.727 5.966 -12.534 1.00 0.00 C ATOM 762 O ILE A 48 -15.990 6.923 -12.317 1.00 0.00 O ATOM 763 CB ILE A 48 -18.842 7.349 -12.851 1.00 0.00 C ATOM 764 CG1 ILE A 48 -20.372 7.500 -12.545 1.00 0.00 C ATOM 765 CG2 ILE A 48 -18.585 7.393 -14.377 1.00 0.00 C ATOM 766 CD1 ILE A 48 -21.273 6.439 -13.151 1.00 0.00 C ATOM 0 H ILE A 48 -17.944 6.815 -10.263 1.00 0.00 H new ATOM 0 HA ILE A 48 -18.741 5.171 -12.597 1.00 0.00 H new ATOM 0 HB ILE A 48 -18.329 8.196 -12.395 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -20.510 7.493 -11.464 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -20.700 8.476 -12.902 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -19.020 8.302 -14.793 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -17.511 7.385 -14.566 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -19.043 6.523 -14.848 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -22.308 6.641 -12.876 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -21.176 6.456 -14.237 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -20.982 5.458 -12.776 1.00 0.00 H new ATOM 778 N TYR A 49 -16.291 4.829 -13.087 1.00 0.00 N ATOM 779 CA TYR A 49 -14.896 4.635 -13.529 1.00 0.00 C ATOM 780 C TYR A 49 -14.781 4.951 -15.013 1.00 0.00 C ATOM 781 O TYR A 49 -15.288 4.190 -15.843 1.00 0.00 O ATOM 782 CB TYR A 49 -14.427 3.189 -13.257 1.00 0.00 C ATOM 783 CG TYR A 49 -13.068 2.795 -13.868 1.00 0.00 C ATOM 784 CD1 TYR A 49 -11.884 3.398 -13.447 1.00 0.00 C ATOM 785 CD2 TYR A 49 -12.965 1.790 -14.842 1.00 0.00 C ATOM 786 CE1 TYR A 49 -10.669 3.016 -13.972 1.00 0.00 C ATOM 787 CE2 TYR A 49 -11.744 1.419 -15.369 1.00 0.00 C ATOM 788 CZ TYR A 49 -10.602 2.032 -14.928 1.00 0.00 C ATOM 789 OH TYR A 49 -9.377 1.658 -15.433 1.00 0.00 O ATOM 0 H TYR A 49 -16.889 4.017 -13.243 1.00 0.00 H new ATOM 0 HA TYR A 49 -14.255 5.311 -12.963 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -14.375 3.042 -12.178 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -15.186 2.504 -13.636 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -11.920 4.176 -12.699 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -13.861 1.296 -15.187 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -9.763 3.494 -13.630 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -11.690 0.650 -16.125 1.00 0.00 H new ATOM 0 HH TYR A 49 -9.027 0.903 -14.916 1.00 0.00 H new ATOM 799 N ASN A 50 -14.158 6.102 -15.322 1.00 0.00 N ATOM 800 CA ASN A 50 -13.738 6.462 -16.695 1.00 0.00 C ATOM 801 C ASN A 50 -14.963 6.575 -17.661 1.00 0.00 C ATOM 802 O ASN A 50 -14.828 6.460 -18.889 1.00 0.00 O ATOM 803 CB ASN A 50 -12.668 5.420 -17.185 1.00 0.00 C ATOM 804 CG ASN A 50 -11.788 5.900 -18.340 1.00 0.00 C ATOM 805 OD1 ASN A 50 -11.553 7.096 -18.512 1.00 0.00 O ATOM 806 ND2 ASN A 50 -11.266 4.966 -19.108 1.00 0.00 N ATOM 0 H ASN A 50 -13.929 6.813 -14.627 1.00 0.00 H new ATOM 0 HA ASN A 50 -13.280 7.451 -16.693 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -12.027 5.156 -16.344 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -13.182 4.509 -17.493 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -10.645 5.224 -19.875 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -11.483 3.984 -18.936 1.00 0.00 H new ATOM 813 N GLY A 51 -16.155 6.843 -17.071 1.00 0.00 N ATOM 814 CA GLY A 51 -17.413 6.995 -17.823 1.00 0.00 C ATOM 815 C GLY A 51 -18.376 5.814 -17.677 1.00 0.00 C ATOM 816 O GLY A 51 -19.530 5.906 -18.106 1.00 0.00 O ATOM 0 H GLY A 51 -16.264 6.958 -16.063 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -17.916 7.903 -17.489 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -17.178 7.130 -18.879 1.00 0.00 H new ATOM 820 N ARG A 52 -17.908 4.710 -17.065 1.00 0.00 N ATOM 821 CA ARG A 52 -18.713 3.481 -16.848 1.00 0.00 C ATOM 822 C ARG A 52 -19.334 3.486 -15.440 1.00 0.00 C ATOM 823 O ARG A 52 -18.663 3.862 -14.478 1.00 0.00 O ATOM 824 CB ARG A 52 -17.825 2.217 -17.033 1.00 0.00 C ATOM 825 CG ARG A 52 -18.522 0.873 -16.694 1.00 0.00 C ATOM 826 CD ARG A 52 -17.657 -0.342 -17.042 1.00 0.00 C ATOM 827 NE ARG A 52 -18.347 -1.623 -16.785 1.00 0.00 N ATOM 828 CZ ARG A 52 -17.797 -2.844 -16.959 1.00 0.00 C ATOM 829 NH1 ARG A 52 -16.555 -2.986 -17.394 1.00 0.00 N ATOM 830 NH2 ARG A 52 -18.502 -3.924 -16.671 1.00 0.00 N ATOM 0 H ARG A 52 -16.957 4.640 -16.703 1.00 0.00 H new ATOM 0 HA ARG A 52 -19.516 3.460 -17.584 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -17.481 2.181 -18.067 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -16.939 2.318 -16.406 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -18.763 0.851 -15.631 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -19.466 0.810 -17.236 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -17.372 -0.291 -18.093 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -16.736 -0.306 -16.460 1.00 0.00 H new ATOM 0 HE ARG A 52 -19.310 -1.582 -16.451 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -15.991 -2.163 -17.606 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -16.161 -3.919 -17.518 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -19.455 -3.832 -16.320 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -18.093 -4.849 -16.800 1.00 0.00 H new ATOM 844 N GLU A 53 -20.608 3.040 -15.328 1.00 0.00 N ATOM 845 CA GLU A 53 -21.306 2.952 -14.036 1.00 0.00 C ATOM 846 C GLU A 53 -20.898 1.660 -13.305 1.00 0.00 C ATOM 847 O GLU A 53 -20.918 0.573 -13.891 1.00 0.00 O ATOM 848 CB GLU A 53 -22.838 3.004 -14.227 1.00 0.00 C ATOM 849 CG GLU A 53 -23.627 3.303 -12.929 1.00 0.00 C ATOM 850 CD GLU A 53 -25.142 3.376 -13.158 1.00 0.00 C ATOM 851 OE1 GLU A 53 -25.894 2.588 -12.551 1.00 0.00 O ATOM 852 OE2 GLU A 53 -25.586 4.220 -13.965 1.00 0.00 O ATOM 0 H GLU A 53 -21.169 2.736 -16.124 1.00 0.00 H new ATOM 0 HA GLU A 53 -21.016 3.810 -13.430 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -23.075 3.768 -14.968 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -23.175 2.050 -14.633 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -23.412 2.529 -12.192 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -23.282 4.248 -12.509 1.00 0.00 H new ATOM 859 N LEU A 54 -20.515 1.792 -12.028 1.00 0.00 N ATOM 860 CA LEU A 54 -20.020 0.670 -11.220 1.00 0.00 C ATOM 861 C LEU A 54 -21.091 0.243 -10.216 1.00 0.00 C ATOM 862 O LEU A 54 -21.466 1.032 -9.335 1.00 0.00 O ATOM 863 CB LEU A 54 -18.710 1.043 -10.468 1.00 0.00 C ATOM 864 CG LEU A 54 -17.578 1.745 -11.297 1.00 0.00 C ATOM 865 CD1 LEU A 54 -16.260 1.780 -10.505 1.00 0.00 C ATOM 866 CD2 LEU A 54 -17.392 1.107 -12.693 1.00 0.00 C ATOM 0 H LEU A 54 -20.540 2.680 -11.526 1.00 0.00 H new ATOM 0 HA LEU A 54 -19.797 -0.157 -11.894 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -18.973 1.696 -9.636 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -18.297 0.131 -10.038 1.00 0.00 H new ATOM 0 HG LEU A 54 -17.892 2.774 -11.470 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -15.491 2.271 -11.101 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -16.408 2.332 -9.577 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -15.946 0.762 -10.276 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -16.598 1.628 -13.228 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -17.125 0.056 -12.580 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -18.322 1.187 -13.256 1.00 0.00 H new ATOM 878 N GLU A 55 -21.578 -0.993 -10.371 1.00 0.00 N ATOM 879 CA GLU A 55 -22.569 -1.590 -9.475 1.00 0.00 C ATOM 880 C GLU A 55 -21.943 -1.894 -8.105 1.00 0.00 C ATOM 881 O GLU A 55 -20.876 -2.517 -8.063 1.00 0.00 O ATOM 882 CB GLU A 55 -23.141 -2.881 -10.108 1.00 0.00 C ATOM 883 CG GLU A 55 -23.903 -2.632 -11.417 1.00 0.00 C ATOM 884 CD GLU A 55 -25.240 -1.913 -11.170 1.00 0.00 C ATOM 885 OE1 GLU A 55 -26.243 -2.599 -10.894 1.00 0.00 O ATOM 886 OE2 GLU A 55 -25.291 -0.664 -11.225 1.00 0.00 O ATOM 0 H GLU A 55 -21.291 -1.611 -11.130 1.00 0.00 H new ATOM 0 HA GLU A 55 -23.383 -0.880 -9.327 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -22.324 -3.576 -10.299 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -23.809 -3.362 -9.393 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -23.287 -2.034 -12.088 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -24.088 -3.583 -11.917 1.00 0.00 H new ATOM 893 N PRO A 56 -22.612 -1.481 -6.976 1.00 0.00 N ATOM 894 CA PRO A 56 -22.073 -1.639 -5.595 1.00 0.00 C ATOM 895 C PRO A 56 -21.789 -3.124 -5.237 1.00 0.00 C ATOM 896 O PRO A 56 -20.802 -3.439 -4.551 1.00 0.00 O ATOM 897 CB PRO A 56 -23.176 -0.998 -4.697 1.00 0.00 C ATOM 898 CG PRO A 56 -24.421 -1.002 -5.535 1.00 0.00 C ATOM 899 CD PRO A 56 -23.956 -0.826 -6.962 1.00 0.00 C ATOM 0 HA PRO A 56 -21.103 -1.159 -5.463 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -23.318 -1.569 -3.780 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -22.903 0.015 -4.402 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -24.970 -1.936 -5.415 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -25.093 -0.196 -5.240 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -24.640 -1.298 -7.668 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -23.892 0.227 -7.236 1.00 0.00 H new ATOM 907 N ARG A 57 -22.650 -4.008 -5.764 1.00 0.00 N ATOM 908 CA ARG A 57 -22.581 -5.475 -5.579 1.00 0.00 C ATOM 909 C ARG A 57 -21.302 -6.104 -6.176 1.00 0.00 C ATOM 910 O ARG A 57 -20.857 -7.162 -5.714 1.00 0.00 O ATOM 911 CB ARG A 57 -23.866 -6.126 -6.184 1.00 0.00 C ATOM 912 CG ARG A 57 -24.244 -5.648 -7.609 1.00 0.00 C ATOM 913 CD ARG A 57 -25.603 -6.201 -8.071 1.00 0.00 C ATOM 914 NE ARG A 57 -26.092 -5.537 -9.300 1.00 0.00 N ATOM 915 CZ ARG A 57 -27.268 -5.798 -9.901 1.00 0.00 C ATOM 916 NH1 ARG A 57 -28.069 -6.753 -9.457 1.00 0.00 N ATOM 917 NH2 ARG A 57 -27.640 -5.094 -10.958 1.00 0.00 N ATOM 0 H ARG A 57 -23.436 -3.720 -6.347 1.00 0.00 H new ATOM 0 HA ARG A 57 -22.532 -5.674 -4.509 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -23.729 -7.207 -6.206 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -24.704 -5.924 -5.517 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -24.272 -4.559 -7.628 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -23.470 -5.959 -8.311 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -25.515 -7.272 -8.250 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -26.335 -6.071 -7.274 1.00 0.00 H new ATOM 0 HE ARG A 57 -25.493 -4.828 -9.723 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -27.800 -7.308 -8.645 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -28.956 -6.934 -9.927 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -27.036 -4.354 -11.317 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -28.531 -5.291 -11.414 1.00 0.00 H new ATOM 931 N THR A 58 -20.712 -5.444 -7.181 1.00 0.00 N ATOM 932 CA THR A 58 -19.510 -5.937 -7.893 1.00 0.00 C ATOM 933 C THR A 58 -18.211 -5.497 -7.158 1.00 0.00 C ATOM 934 O THR A 58 -18.257 -4.594 -6.322 1.00 0.00 O ATOM 935 CB THR A 58 -19.523 -5.390 -9.355 1.00 0.00 C ATOM 936 OG1 THR A 58 -20.835 -5.530 -9.914 1.00 0.00 O ATOM 937 CG2 THR A 58 -18.521 -6.107 -10.273 1.00 0.00 C ATOM 0 H THR A 58 -21.051 -4.548 -7.530 1.00 0.00 H new ATOM 0 HA THR A 58 -19.527 -7.027 -7.911 1.00 0.00 H new ATOM 0 HB THR A 58 -19.231 -4.342 -9.297 1.00 0.00 H new ATOM 0 HG1 THR A 58 -20.839 -5.184 -10.831 1.00 0.00 H new ATOM 0 HG21 THR A 58 -18.577 -5.682 -11.275 1.00 0.00 H new ATOM 0 HG22 THR A 58 -17.512 -5.979 -9.881 1.00 0.00 H new ATOM 0 HG23 THR A 58 -18.762 -7.169 -10.315 1.00 0.00 H new ATOM 945 N THR A 59 -17.063 -6.151 -7.458 1.00 0.00 N ATOM 946 CA THR A 59 -15.745 -5.788 -6.886 1.00 0.00 C ATOM 947 C THR A 59 -14.929 -4.900 -7.851 1.00 0.00 C ATOM 948 O THR A 59 -15.323 -4.684 -9.009 1.00 0.00 O ATOM 949 CB THR A 59 -14.928 -7.065 -6.496 1.00 0.00 C ATOM 950 OG1 THR A 59 -14.862 -7.968 -7.600 1.00 0.00 O ATOM 951 CG2 THR A 59 -15.538 -7.785 -5.287 1.00 0.00 C ATOM 0 H THR A 59 -17.025 -6.942 -8.101 1.00 0.00 H new ATOM 0 HA THR A 59 -15.936 -5.211 -5.981 1.00 0.00 H new ATOM 0 HB THR A 59 -13.924 -6.736 -6.227 1.00 0.00 H new ATOM 0 HG1 THR A 59 -14.347 -8.761 -7.343 1.00 0.00 H new ATOM 0 HG21 THR A 59 -14.941 -8.666 -5.049 1.00 0.00 H new ATOM 0 HG22 THR A 59 -15.549 -7.112 -4.430 1.00 0.00 H new ATOM 0 HG23 THR A 59 -16.558 -8.090 -5.522 1.00 0.00 H new ATOM 959 N LEU A 60 -13.779 -4.401 -7.349 1.00 0.00 N ATOM 960 CA LEU A 60 -12.896 -3.447 -8.061 1.00 0.00 C ATOM 961 C LEU A 60 -12.159 -4.113 -9.232 1.00 0.00 C ATOM 962 O LEU A 60 -12.074 -3.545 -10.328 1.00 0.00 O ATOM 963 CB LEU A 60 -11.860 -2.833 -7.058 1.00 0.00 C ATOM 964 CG LEU A 60 -12.333 -1.600 -6.220 1.00 0.00 C ATOM 965 CD1 LEU A 60 -13.652 -1.863 -5.489 1.00 0.00 C ATOM 966 CD2 LEU A 60 -11.238 -1.151 -5.228 1.00 0.00 C ATOM 0 H LEU A 60 -13.431 -4.652 -6.424 1.00 0.00 H new ATOM 0 HA LEU A 60 -13.524 -2.657 -8.473 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.553 -3.617 -6.365 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.974 -2.541 -7.622 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.514 -0.790 -6.927 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.937 -0.977 -4.922 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.431 -2.095 -6.216 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.529 -2.705 -4.808 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.593 -0.292 -4.658 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.008 -1.969 -4.546 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.339 -0.874 -5.779 1.00 0.00 H new ATOM 978 N GLU A 61 -11.626 -5.312 -8.969 1.00 0.00 N ATOM 979 CA GLU A 61 -10.863 -6.114 -9.956 1.00 0.00 C ATOM 980 C GLU A 61 -11.678 -6.400 -11.244 1.00 0.00 C ATOM 981 O GLU A 61 -11.105 -6.566 -12.326 1.00 0.00 O ATOM 982 CB GLU A 61 -10.405 -7.436 -9.294 1.00 0.00 C ATOM 983 CG GLU A 61 -11.557 -8.252 -8.666 1.00 0.00 C ATOM 984 CD GLU A 61 -11.073 -9.519 -7.954 1.00 0.00 C ATOM 985 OE1 GLU A 61 -10.934 -10.568 -8.614 1.00 0.00 O ATOM 986 OE2 GLU A 61 -10.814 -9.474 -6.732 1.00 0.00 O ATOM 0 H GLU A 61 -11.708 -5.765 -8.059 1.00 0.00 H new ATOM 0 HA GLU A 61 -9.994 -5.532 -10.263 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.903 -8.050 -10.041 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.670 -7.209 -8.522 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.094 -7.624 -7.955 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.267 -8.528 -9.446 1.00 0.00 H new ATOM 993 N GLU A 62 -13.015 -6.424 -11.105 1.00 0.00 N ATOM 994 CA GLU A 62 -13.950 -6.664 -12.222 1.00 0.00 C ATOM 995 C GLU A 62 -14.043 -5.447 -13.156 1.00 0.00 C ATOM 996 O GLU A 62 -14.258 -5.598 -14.362 1.00 0.00 O ATOM 997 CB GLU A 62 -15.349 -7.012 -11.658 1.00 0.00 C ATOM 998 CG GLU A 62 -15.372 -8.261 -10.757 1.00 0.00 C ATOM 999 CD GLU A 62 -15.019 -9.550 -11.514 1.00 0.00 C ATOM 1000 OE1 GLU A 62 -15.938 -10.182 -12.077 1.00 0.00 O ATOM 1001 OE2 GLU A 62 -13.827 -9.930 -11.569 1.00 0.00 O ATOM 0 H GLU A 62 -13.482 -6.277 -10.210 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.571 -7.500 -12.810 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.722 -6.160 -11.089 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -16.036 -7.165 -12.490 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -14.669 -8.124 -9.936 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -16.362 -8.365 -10.314 1.00 0.00 H new ATOM 1008 N TYR A 63 -13.880 -4.248 -12.583 1.00 0.00 N ATOM 1009 CA TYR A 63 -13.915 -2.978 -13.339 1.00 0.00 C ATOM 1010 C TYR A 63 -12.503 -2.448 -13.626 1.00 0.00 C ATOM 1011 O TYR A 63 -12.377 -1.335 -14.145 1.00 0.00 O ATOM 1012 CB TYR A 63 -14.725 -1.917 -12.566 1.00 0.00 C ATOM 1013 CG TYR A 63 -16.209 -2.262 -12.401 1.00 0.00 C ATOM 1014 CD1 TYR A 63 -17.026 -2.451 -13.520 1.00 0.00 C ATOM 1015 CD2 TYR A 63 -16.803 -2.357 -11.147 1.00 0.00 C ATOM 1016 CE1 TYR A 63 -18.371 -2.729 -13.383 1.00 0.00 C ATOM 1017 CE2 TYR A 63 -18.141 -2.638 -11.014 1.00 0.00 C ATOM 1018 CZ TYR A 63 -18.923 -2.818 -12.130 1.00 0.00 C ATOM 1019 OH TYR A 63 -20.263 -3.090 -11.990 1.00 0.00 O ATOM 0 H TYR A 63 -13.720 -4.125 -11.583 1.00 0.00 H new ATOM 0 HA TYR A 63 -14.399 -3.179 -14.295 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -14.282 -1.785 -11.579 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -14.640 -0.962 -13.084 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -16.597 -2.378 -14.509 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -16.202 -2.207 -10.262 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -18.986 -2.876 -14.258 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -18.580 -2.718 -10.030 1.00 0.00 H new ATOM 0 HH TYR A 63 -20.466 -3.956 -12.402 1.00 0.00 H new ATOM 1029 N ASN A 64 -11.463 -3.242 -13.284 1.00 0.00 N ATOM 1030 CA ASN A 64 -10.042 -2.879 -13.502 1.00 0.00 C ATOM 1031 C ASN A 64 -9.699 -1.551 -12.783 1.00 0.00 C ATOM 1032 O ASN A 64 -9.017 -0.663 -13.331 1.00 0.00 O ATOM 1033 CB ASN A 64 -9.711 -2.821 -15.028 1.00 0.00 C ATOM 1034 CG ASN A 64 -8.206 -2.726 -15.352 1.00 0.00 C ATOM 1035 OD1 ASN A 64 -7.803 -2.028 -16.282 1.00 0.00 O ATOM 1036 ND2 ASN A 64 -7.373 -3.461 -14.626 1.00 0.00 N ATOM 0 H ASN A 64 -11.585 -4.156 -12.848 1.00 0.00 H new ATOM 0 HA ASN A 64 -9.414 -3.656 -13.065 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -10.118 -3.710 -15.509 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -10.219 -1.961 -15.465 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -6.374 -3.455 -14.834 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -7.731 -4.031 -13.860 1.00 0.00 H new ATOM 1043 N ILE A 65 -10.203 -1.423 -11.544 1.00 0.00 N ATOM 1044 CA ILE A 65 -9.930 -0.266 -10.686 1.00 0.00 C ATOM 1045 C ILE A 65 -8.471 -0.349 -10.203 1.00 0.00 C ATOM 1046 O ILE A 65 -8.170 -0.988 -9.194 1.00 0.00 O ATOM 1047 CB ILE A 65 -10.926 -0.198 -9.468 1.00 0.00 C ATOM 1048 CG1 ILE A 65 -12.406 -0.186 -9.961 1.00 0.00 C ATOM 1049 CG2 ILE A 65 -10.638 1.021 -8.556 1.00 0.00 C ATOM 1050 CD1 ILE A 65 -12.783 1.013 -10.806 1.00 0.00 C ATOM 0 H ILE A 65 -10.810 -2.120 -11.113 1.00 0.00 H new ATOM 0 HA ILE A 65 -10.078 0.649 -11.260 1.00 0.00 H new ATOM 0 HB ILE A 65 -10.770 -1.096 -8.870 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -12.589 -1.092 -10.538 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -13.064 -0.223 -9.093 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -11.347 1.031 -7.728 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -9.623 0.951 -8.164 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -10.741 1.940 -9.133 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -13.829 0.935 -11.102 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -12.637 1.926 -10.228 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -12.155 1.043 -11.696 1.00 0.00 H new ATOM 1062 N THR A 66 -7.583 0.235 -11.009 1.00 0.00 N ATOM 1063 CA THR A 66 -6.126 0.234 -10.792 1.00 0.00 C ATOM 1064 C THR A 66 -5.643 1.620 -10.292 1.00 0.00 C ATOM 1065 O THR A 66 -6.351 2.608 -10.480 1.00 0.00 O ATOM 1066 CB THR A 66 -5.420 -0.200 -12.131 1.00 0.00 C ATOM 1067 OG1 THR A 66 -6.035 0.459 -13.259 1.00 0.00 O ATOM 1068 CG2 THR A 66 -5.478 -1.727 -12.318 1.00 0.00 C ATOM 0 H THR A 66 -7.859 0.736 -11.854 1.00 0.00 H new ATOM 0 HA THR A 66 -5.861 -0.481 -10.013 1.00 0.00 H new ATOM 0 HB THR A 66 -4.373 0.098 -12.071 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.586 0.182 -14.085 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.983 -1.998 -13.250 1.00 0.00 H new ATOM 0 HG22 THR A 66 -4.974 -2.215 -11.484 1.00 0.00 H new ATOM 0 HG23 THR A 66 -6.518 -2.050 -12.352 1.00 0.00 H new ATOM 1076 N PRO A 67 -4.428 1.719 -9.631 1.00 0.00 N ATOM 1077 CA PRO A 67 -3.976 2.972 -8.973 1.00 0.00 C ATOM 1078 C PRO A 67 -3.739 4.134 -9.967 1.00 0.00 C ATOM 1079 O PRO A 67 -3.214 3.923 -11.065 1.00 0.00 O ATOM 1080 CB PRO A 67 -2.654 2.557 -8.260 1.00 0.00 C ATOM 1081 CG PRO A 67 -2.159 1.378 -9.042 1.00 0.00 C ATOM 1082 CD PRO A 67 -3.403 0.642 -9.490 1.00 0.00 C ATOM 0 HA PRO A 67 -4.733 3.361 -8.292 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -1.928 3.370 -8.266 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -2.831 2.295 -7.217 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.562 1.696 -9.896 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.524 0.739 -8.429 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.240 0.120 -10.433 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.709 -0.107 -8.759 1.00 0.00 H new ATOM 1090 N GLY A 68 -4.143 5.355 -9.565 1.00 0.00 N ATOM 1091 CA GLY A 68 -3.915 6.564 -10.358 1.00 0.00 C ATOM 1092 C GLY A 68 -5.124 7.009 -11.167 1.00 0.00 C ATOM 1093 O GLY A 68 -5.085 8.077 -11.784 1.00 0.00 O ATOM 0 H GLY A 68 -4.633 5.523 -8.686 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -3.619 7.374 -9.691 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -3.080 6.389 -11.037 1.00 0.00 H new ATOM 1097 N VAL A 69 -6.204 6.203 -11.177 1.00 0.00 N ATOM 1098 CA VAL A 69 -7.429 6.527 -11.943 1.00 0.00 C ATOM 1099 C VAL A 69 -8.353 7.475 -11.151 1.00 0.00 C ATOM 1100 O VAL A 69 -8.295 7.533 -9.910 1.00 0.00 O ATOM 1101 CB VAL A 69 -8.210 5.230 -12.355 1.00 0.00 C ATOM 1102 CG1 VAL A 69 -7.314 4.290 -13.211 1.00 0.00 C ATOM 1103 CG2 VAL A 69 -8.790 4.499 -11.113 1.00 0.00 C ATOM 0 H VAL A 69 -6.255 5.323 -10.664 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.110 7.037 -12.852 1.00 0.00 H new ATOM 0 HB VAL A 69 -9.056 5.530 -12.973 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.878 3.398 -13.484 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.000 4.811 -14.115 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.435 4.001 -12.635 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.325 3.605 -11.434 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.977 4.215 -10.445 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.476 5.163 -10.587 1.00 0.00 H new ATOM 1113 N THR A 70 -9.198 8.222 -11.885 1.00 0.00 N ATOM 1114 CA THR A 70 -10.188 9.132 -11.294 1.00 0.00 C ATOM 1115 C THR A 70 -11.614 8.596 -11.535 1.00 0.00 C ATOM 1116 O THR A 70 -12.118 8.619 -12.668 1.00 0.00 O ATOM 1117 CB THR A 70 -10.067 10.574 -11.890 1.00 0.00 C ATOM 1118 OG1 THR A 70 -8.704 10.996 -11.837 1.00 0.00 O ATOM 1119 CG2 THR A 70 -10.937 11.596 -11.133 1.00 0.00 C ATOM 0 H THR A 70 -9.211 8.209 -12.905 1.00 0.00 H new ATOM 0 HA THR A 70 -9.991 9.184 -10.223 1.00 0.00 H new ATOM 0 HB THR A 70 -10.421 10.532 -12.920 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.626 11.898 -12.211 1.00 0.00 H new ATOM 0 HG21 THR A 70 -10.818 12.581 -11.585 1.00 0.00 H new ATOM 0 HG22 THR A 70 -11.983 11.295 -11.189 1.00 0.00 H new ATOM 0 HG23 THR A 70 -10.626 11.636 -10.089 1.00 0.00 H new ATOM 1127 N LEU A 71 -12.219 8.065 -10.471 1.00 0.00 N ATOM 1128 CA LEU A 71 -13.664 7.793 -10.402 1.00 0.00 C ATOM 1129 C LEU A 71 -14.418 9.122 -10.249 1.00 0.00 C ATOM 1130 O LEU A 71 -13.828 10.138 -9.872 1.00 0.00 O ATOM 1131 CB LEU A 71 -14.003 6.836 -9.210 1.00 0.00 C ATOM 1132 CG LEU A 71 -13.732 5.297 -9.415 1.00 0.00 C ATOM 1133 CD1 LEU A 71 -12.381 4.994 -10.097 1.00 0.00 C ATOM 1134 CD2 LEU A 71 -13.827 4.556 -8.068 1.00 0.00 C ATOM 0 H LEU A 71 -11.718 7.807 -9.621 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.974 7.297 -11.322 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.433 7.165 -8.341 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -15.058 6.963 -8.966 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.505 4.937 -10.093 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.262 3.916 -10.206 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.357 5.463 -11.081 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.569 5.389 -9.487 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.638 3.494 -8.223 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.086 4.960 -7.378 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -14.824 4.690 -7.649 1.00 0.00 H new ATOM 1146 N GLU A 72 -15.719 9.102 -10.540 1.00 0.00 N ATOM 1147 CA GLU A 72 -16.595 10.277 -10.441 1.00 0.00 C ATOM 1148 C GLU A 72 -17.908 9.879 -9.777 1.00 0.00 C ATOM 1149 O GLU A 72 -18.268 8.698 -9.753 1.00 0.00 O ATOM 1150 CB GLU A 72 -16.858 10.898 -11.839 1.00 0.00 C ATOM 1151 CG GLU A 72 -15.628 11.555 -12.501 1.00 0.00 C ATOM 1152 CD GLU A 72 -15.972 12.246 -13.821 1.00 0.00 C ATOM 1153 OE1 GLU A 72 -15.898 11.590 -14.884 1.00 0.00 O ATOM 1154 OE2 GLU A 72 -16.344 13.448 -13.802 1.00 0.00 O ATOM 0 H GLU A 72 -16.203 8.261 -10.855 1.00 0.00 H new ATOM 0 HA GLU A 72 -16.098 11.033 -9.832 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -17.236 10.119 -12.501 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -17.645 11.646 -11.746 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -15.196 12.284 -11.815 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.867 10.796 -12.680 1.00 0.00 H new ATOM 1161 N LEU A 73 -18.594 10.866 -9.204 1.00 0.00 N ATOM 1162 CA LEU A 73 -19.925 10.693 -8.617 1.00 0.00 C ATOM 1163 C LEU A 73 -20.958 11.467 -9.431 1.00 0.00 C ATOM 1164 O LEU A 73 -20.858 12.688 -9.581 1.00 0.00 O ATOM 1165 CB LEU A 73 -19.936 11.128 -7.131 1.00 0.00 C ATOM 1166 CG LEU A 73 -19.083 10.241 -6.169 1.00 0.00 C ATOM 1167 CD1 LEU A 73 -19.179 10.727 -4.703 1.00 0.00 C ATOM 1168 CD2 LEU A 73 -19.482 8.744 -6.295 1.00 0.00 C ATOM 0 H LEU A 73 -18.239 11.820 -9.132 1.00 0.00 H new ATOM 0 HA LEU A 73 -20.187 9.635 -8.647 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -19.575 12.155 -7.067 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -20.967 11.130 -6.778 1.00 0.00 H new ATOM 0 HG LEU A 73 -18.040 10.339 -6.471 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -18.572 10.084 -4.066 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -18.816 11.752 -4.635 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -20.217 10.688 -4.374 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -18.874 8.147 -5.615 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -20.535 8.625 -6.039 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -19.317 8.408 -7.319 1.00 0.00 H new ATOM 1180 N LYS A 74 -21.905 10.722 -10.013 1.00 0.00 N ATOM 1181 CA LYS A 74 -23.081 11.271 -10.728 1.00 0.00 C ATOM 1182 C LYS A 74 -24.332 11.026 -9.869 1.00 0.00 C ATOM 1183 O LYS A 74 -24.356 10.078 -9.092 1.00 0.00 O ATOM 1184 CB LYS A 74 -23.235 10.594 -12.129 1.00 0.00 C ATOM 1185 CG LYS A 74 -22.320 11.143 -13.268 1.00 0.00 C ATOM 1186 CD LYS A 74 -20.802 11.116 -12.951 1.00 0.00 C ATOM 1187 CE LYS A 74 -19.921 11.357 -14.190 1.00 0.00 C ATOM 1188 NZ LYS A 74 -20.173 12.669 -14.825 1.00 0.00 N ATOM 0 H LYS A 74 -21.882 9.702 -10.005 1.00 0.00 H new ATOM 0 HA LYS A 74 -22.949 12.341 -10.889 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -23.039 9.528 -12.017 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -24.273 10.696 -12.446 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -22.499 10.560 -14.172 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -22.613 12.170 -13.488 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -20.580 11.876 -12.202 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -20.546 10.152 -12.513 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -18.872 11.293 -13.902 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -20.101 10.566 -14.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -19.542 12.786 -15.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -21.162 12.717 -15.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -19.992 13.428 -14.137 1.00 0.00 H new ATOM 1202 N THR A 75 -25.363 11.868 -10.020 1.00 0.00 N ATOM 1203 CA THR A 75 -26.602 11.765 -9.224 1.00 0.00 C ATOM 1204 C THR A 75 -27.393 10.481 -9.580 1.00 0.00 C ATOM 1205 O THR A 75 -27.567 10.163 -10.760 1.00 0.00 O ATOM 1206 CB THR A 75 -27.498 13.027 -9.435 1.00 0.00 C ATOM 1207 OG1 THR A 75 -27.740 13.213 -10.841 1.00 0.00 O ATOM 1208 CG2 THR A 75 -26.846 14.296 -8.853 1.00 0.00 C ATOM 0 H THR A 75 -25.366 12.636 -10.691 1.00 0.00 H new ATOM 0 HA THR A 75 -26.317 11.708 -8.173 1.00 0.00 H new ATOM 0 HB THR A 75 -28.438 12.863 -8.908 1.00 0.00 H new ATOM 0 HG1 THR A 75 -28.304 14.004 -10.974 1.00 0.00 H new ATOM 0 HG21 THR A 75 -27.501 15.151 -9.020 1.00 0.00 H new ATOM 0 HG22 THR A 75 -26.687 14.165 -7.783 1.00 0.00 H new ATOM 0 HG23 THR A 75 -25.888 14.471 -9.344 1.00 0.00 H new ATOM 1216 N ARG A 76 -27.839 9.741 -8.548 1.00 0.00 N ATOM 1217 CA ARG A 76 -28.600 8.489 -8.699 1.00 0.00 C ATOM 1218 C ARG A 76 -29.966 8.655 -8.009 1.00 0.00 C ATOM 1219 O ARG A 76 -30.089 8.426 -6.795 1.00 0.00 O ATOM 1220 CB ARG A 76 -27.810 7.293 -8.083 1.00 0.00 C ATOM 1221 CG ARG A 76 -28.272 5.888 -8.547 1.00 0.00 C ATOM 1222 CD ARG A 76 -27.459 4.747 -7.890 1.00 0.00 C ATOM 1223 NE ARG A 76 -27.707 3.437 -8.528 1.00 0.00 N ATOM 1224 CZ ARG A 76 -28.348 2.391 -7.972 1.00 0.00 C ATOM 1225 NH1 ARG A 76 -28.943 2.492 -6.796 1.00 0.00 N ATOM 1226 NH2 ARG A 76 -28.402 1.239 -8.620 1.00 0.00 N ATOM 0 H ARG A 76 -27.679 10.000 -7.575 1.00 0.00 H new ATOM 0 HA ARG A 76 -28.752 8.275 -9.757 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -26.755 7.410 -8.329 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -27.892 7.345 -6.997 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -29.328 5.760 -8.309 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -28.178 5.818 -9.631 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -26.396 4.981 -7.950 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -27.713 4.686 -6.832 1.00 0.00 H new ATOM 0 HE ARG A 76 -27.360 3.313 -9.479 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -28.923 3.377 -6.289 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -29.422 1.685 -6.396 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -27.960 1.147 -9.535 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -28.886 0.443 -8.205 1.00 0.00 H new