USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 469 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 80 THR OG1 : rot -155:sc= 0.351! USER MOD Set 1.2: A 84 GLN : amide:sc= -1.42! C(o=-1.1!,f=-5.1!) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A -4 GLY N :NH3+ -113:sc= 0.119 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -161:sc= -0.0212 (180deg=-0.446) USER MOD Single : A 91 MET CE :methyl 137:sc= -0.098 (180deg=-0.787) USER MOD Single : A 92 SER OG : rot -38:sc= 0.769 USER MOD Single : A 94 GLN : amide:sc= -0.212 X(o=-0.21,f=-0.21) USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 112 LYS NZ :NH3+ -168:sc= -0.877! (180deg=-1.32!) USER MOD Single : A 117 SER OG : rot -32:sc= 0.755 USER MOD Single : A 119 ASN : amide:sc= -0.0408 K(o=-0.041,f=-1.8!) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 CYS SG : rot 71:sc= 0.0291 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot -14:sc= 0.575 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -4 -0.262 -22.878 10.440 1.00 0.00 N ATOM 2 CA GLY A -4 0.431 -22.237 9.286 1.00 0.00 C ATOM 3 C GLY A -4 1.497 -23.183 8.746 1.00 0.00 C ATOM 4 O GLY A -4 1.556 -24.351 9.129 1.00 0.00 O ATOM 0 H1 GLY A -4 -1.250 -23.078 10.184 1.00 0.00 H new ATOM 0 H2 GLY A -4 0.219 -23.767 10.683 1.00 0.00 H new ATOM 0 H3 GLY A -4 -0.239 -22.237 11.258 1.00 0.00 H new ATOM 0 HA2 GLY A -4 -0.289 -21.997 8.503 1.00 0.00 H new ATOM 0 HA3 GLY A -4 0.887 -21.297 9.598 1.00 0.00 H new ATOM 10 N PRO A -3 2.337 -22.701 7.867 1.00 0.00 N ATOM 11 CA PRO A -3 3.430 -23.521 7.260 1.00 0.00 C ATOM 12 C PRO A -3 4.343 -24.130 8.326 1.00 0.00 C ATOM 13 O PRO A -3 4.690 -23.468 9.304 1.00 0.00 O ATOM 14 CB PRO A -3 4.194 -22.506 6.388 1.00 0.00 C ATOM 15 CG PRO A -3 3.196 -21.434 6.093 1.00 0.00 C ATOM 16 CD PRO A -3 2.336 -21.323 7.347 1.00 0.00 C ATOM 0 HA PRO A -3 3.050 -24.372 6.695 1.00 0.00 H new ATOM 0 HB2 PRO A -3 5.061 -22.106 6.913 1.00 0.00 H new ATOM 0 HB3 PRO A -3 4.561 -22.968 5.472 1.00 0.00 H new ATOM 0 HG2 PRO A -3 3.690 -20.488 5.871 1.00 0.00 H new ATOM 0 HG3 PRO A -3 2.591 -21.690 5.223 1.00 0.00 H new ATOM 0 HD2 PRO A -3 2.757 -20.619 8.065 1.00 0.00 H new ATOM 0 HD3 PRO A -3 1.328 -20.978 7.117 1.00 0.00 H new ATOM 24 N LEU A -2 4.739 -25.389 8.125 1.00 0.00 N ATOM 25 CA LEU A -2 5.622 -26.078 9.071 1.00 0.00 C ATOM 26 C LEU A -2 6.855 -26.610 8.350 1.00 0.00 C ATOM 27 O LEU A -2 6.750 -27.392 7.404 1.00 0.00 O ATOM 28 CB LEU A -2 4.875 -27.234 9.749 1.00 0.00 C ATOM 29 CG LEU A -2 5.813 -28.006 10.694 1.00 0.00 C ATOM 30 CD1 LEU A -2 6.371 -27.064 11.776 1.00 0.00 C ATOM 31 CD2 LEU A -2 5.024 -29.136 11.362 1.00 0.00 C ATOM 0 H LEU A -2 4.464 -25.951 7.319 1.00 0.00 H new ATOM 0 HA LEU A -2 5.938 -25.365 9.833 1.00 0.00 H new ATOM 0 HB2 LEU A -2 4.025 -26.845 10.310 1.00 0.00 H new ATOM 0 HB3 LEU A -2 4.476 -27.910 8.992 1.00 0.00 H new ATOM 0 HG LEU A -2 6.645 -28.416 10.121 1.00 0.00 H new ATOM 0 HD11 LEU A -2 7.033 -27.622 12.438 1.00 0.00 H new ATOM 0 HD12 LEU A -2 6.928 -26.256 11.303 1.00 0.00 H new ATOM 0 HD13 LEU A -2 5.547 -26.646 12.355 1.00 0.00 H new ATOM 0 HD21 LEU A -2 5.680 -29.690 12.034 1.00 0.00 H new ATOM 0 HD22 LEU A -2 4.195 -28.714 11.930 1.00 0.00 H new ATOM 0 HD23 LEU A -2 4.635 -29.809 10.598 1.00 0.00 H new ATOM 43 N GLY A -1 8.024 -26.182 8.811 1.00 0.00 N ATOM 44 CA GLY A -1 9.285 -26.616 8.220 1.00 0.00 C ATOM 45 C GLY A -1 9.692 -25.713 7.064 1.00 0.00 C ATOM 46 O GLY A -1 8.908 -25.466 6.147 1.00 0.00 O ATOM 0 H GLY A -1 8.126 -25.535 9.593 1.00 0.00 H new ATOM 0 HA2 GLY A -1 10.066 -26.612 8.980 1.00 0.00 H new ATOM 0 HA3 GLY A -1 9.189 -27.643 7.867 1.00 0.00 H new ATOM 50 N SER A 0 10.927 -25.235 7.109 1.00 0.00 N ATOM 51 CA SER A 0 11.440 -24.366 6.058 1.00 0.00 C ATOM 52 C SER A 0 11.653 -25.156 4.775 1.00 0.00 C ATOM 53 O SER A 0 11.794 -24.585 3.694 1.00 0.00 O ATOM 54 CB SER A 0 12.757 -23.730 6.499 1.00 0.00 C ATOM 55 OG SER A 0 12.507 -22.830 7.570 1.00 0.00 O ATOM 0 H SER A 0 11.591 -25.433 7.858 1.00 0.00 H new ATOM 0 HA SER A 0 10.709 -23.580 5.870 1.00 0.00 H new ATOM 0 HB2 SER A 0 13.460 -24.502 6.813 1.00 0.00 H new ATOM 0 HB3 SER A 0 13.217 -23.201 5.664 1.00 0.00 H new ATOM 0 HG SER A 0 13.350 -22.421 7.857 1.00 0.00 H new ATOM 61 N ARG A 74 11.676 -26.473 4.904 1.00 0.00 N ATOM 62 CA ARG A 74 11.876 -27.344 3.754 1.00 0.00 C ATOM 63 C ARG A 74 10.711 -27.218 2.779 1.00 0.00 C ATOM 64 O ARG A 74 10.862 -27.479 1.587 1.00 0.00 O ATOM 65 CB ARG A 74 11.996 -28.799 4.225 1.00 0.00 C ATOM 66 CG ARG A 74 13.249 -28.978 5.100 1.00 0.00 C ATOM 67 CD ARG A 74 14.500 -29.139 4.227 1.00 0.00 C ATOM 68 NE ARG A 74 15.668 -29.377 5.067 1.00 0.00 N ATOM 69 CZ ARG A 74 16.838 -29.709 4.532 1.00 0.00 C ATOM 70 NH1 ARG A 74 16.949 -29.833 3.237 1.00 0.00 N ATOM 71 NH2 ARG A 74 17.874 -29.911 5.298 1.00 0.00 N ATOM 0 H ARG A 74 11.559 -26.963 5.791 1.00 0.00 H new ATOM 0 HA ARG A 74 12.793 -27.046 3.245 1.00 0.00 H new ATOM 0 HB2 ARG A 74 11.107 -29.080 4.790 1.00 0.00 H new ATOM 0 HB3 ARG A 74 12.049 -29.464 3.363 1.00 0.00 H new ATOM 0 HG2 ARG A 74 13.366 -28.116 5.757 1.00 0.00 H new ATOM 0 HG3 ARG A 74 13.130 -29.853 5.740 1.00 0.00 H new ATOM 0 HD2 ARG A 74 14.365 -29.969 3.534 1.00 0.00 H new ATOM 0 HD3 ARG A 74 14.651 -28.243 3.625 1.00 0.00 H new ATOM 0 HE ARG A 74 15.586 -29.287 6.080 1.00 0.00 H new ATOM 0 HH11 ARG A 74 16.138 -29.675 2.638 1.00 0.00 H new ATOM 0 HH12 ARG A 74 17.846 -30.088 2.824 1.00 0.00 H new ATOM 0 HH21 ARG A 74 17.787 -29.814 6.310 1.00 0.00 H new ATOM 0 HH22 ARG A 74 18.771 -30.166 4.885 1.00 0.00 H new ATOM 85 N LYS A 75 9.546 -26.825 3.290 1.00 0.00 N ATOM 86 CA LYS A 75 8.360 -26.680 2.445 1.00 0.00 C ATOM 87 C LYS A 75 8.311 -25.295 1.817 1.00 0.00 C ATOM 88 O LYS A 75 7.459 -25.009 0.976 1.00 0.00 O ATOM 89 CB LYS A 75 7.094 -26.906 3.280 1.00 0.00 C ATOM 90 CG LYS A 75 7.123 -28.287 3.959 1.00 0.00 C ATOM 91 CD LYS A 75 6.987 -29.408 2.923 1.00 0.00 C ATOM 92 CE LYS A 75 6.781 -30.742 3.643 1.00 0.00 C ATOM 93 NZ LYS A 75 6.640 -31.830 2.636 1.00 0.00 N ATOM 0 H LYS A 75 9.397 -26.603 4.274 1.00 0.00 H new ATOM 0 HA LYS A 75 8.413 -27.424 1.650 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.009 -26.126 4.037 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.214 -26.829 2.642 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.056 -28.406 4.510 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.313 -28.357 4.685 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.145 -29.206 2.260 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.880 -29.453 2.300 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.626 -30.947 4.301 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.892 -30.695 4.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.500 -32.738 3.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.821 -31.634 2.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.501 -31.879 2.054 1.00 0.00 H new ATOM 107 N ILE A 76 9.234 -24.444 2.228 1.00 0.00 N ATOM 108 CA ILE A 76 9.302 -23.079 1.702 1.00 0.00 C ATOM 109 C ILE A 76 10.160 -23.028 0.439 1.00 0.00 C ATOM 110 O ILE A 76 11.317 -23.449 0.442 1.00 0.00 O ATOM 111 CB ILE A 76 9.882 -22.129 2.753 1.00 0.00 C ATOM 112 CG1 ILE A 76 9.001 -22.164 4.010 1.00 0.00 C ATOM 113 CG2 ILE A 76 9.909 -20.704 2.191 1.00 0.00 C ATOM 114 CD1 ILE A 76 9.639 -21.335 5.135 1.00 0.00 C ATOM 0 H ILE A 76 9.948 -24.666 2.922 1.00 0.00 H new ATOM 0 HA ILE A 76 8.289 -22.764 1.454 1.00 0.00 H new ATOM 0 HB ILE A 76 10.895 -22.440 3.007 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.010 -21.773 3.778 1.00 0.00 H new ATOM 0 HG13 ILE A 76 8.868 -23.194 4.340 1.00 0.00 H new ATOM 0 HG21 ILE A 76 10.322 -20.026 2.938 1.00 0.00 H new ATOM 0 HG22 ILE A 76 10.529 -20.678 1.295 1.00 0.00 H new ATOM 0 HG23 ILE A 76 8.895 -20.393 1.939 1.00 0.00 H new ATOM 0 HD11 ILE A 76 9.002 -21.370 6.019 1.00 0.00 H new ATOM 0 HD12 ILE A 76 10.619 -21.745 5.378 1.00 0.00 H new ATOM 0 HD13 ILE A 76 9.749 -20.301 4.808 1.00 0.00 H new ATOM 126 N ALA A 77 9.582 -22.504 -0.638 1.00 0.00 N ATOM 127 CA ALA A 77 10.298 -22.389 -1.904 1.00 0.00 C ATOM 128 C ALA A 77 11.390 -21.325 -1.808 1.00 0.00 C ATOM 129 O ALA A 77 11.292 -20.398 -1.004 1.00 0.00 O ATOM 130 CB ALA A 77 9.321 -22.024 -3.023 1.00 0.00 C ATOM 0 H ALA A 77 8.624 -22.154 -0.660 1.00 0.00 H new ATOM 0 HA ALA A 77 10.763 -23.349 -2.127 1.00 0.00 H new ATOM 0 HB1 ALA A 77 9.862 -21.940 -3.965 1.00 0.00 H new ATOM 0 HB2 ALA A 77 8.560 -22.800 -3.109 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.843 -21.072 -2.793 1.00 0.00 H new ATOM 136 N GLN A 78 12.429 -21.465 -2.628 1.00 0.00 N ATOM 137 CA GLN A 78 13.530 -20.506 -2.614 1.00 0.00 C ATOM 138 C GLN A 78 13.036 -19.115 -2.999 1.00 0.00 C ATOM 139 O GLN A 78 12.322 -18.952 -3.988 1.00 0.00 O ATOM 140 CB GLN A 78 14.614 -20.948 -3.601 1.00 0.00 C ATOM 141 CG GLN A 78 15.168 -22.310 -3.181 1.00 0.00 C ATOM 142 CD GLN A 78 16.214 -22.780 -4.185 1.00 0.00 C ATOM 143 OE1 GLN A 78 16.397 -22.107 -5.290 1.00 0.00 O flip ATOM 144 NE2 GLN A 78 16.883 -23.788 -3.959 1.00 0.00 N flip ATOM 0 H GLN A 78 12.531 -22.223 -3.302 1.00 0.00 H new ATOM 0 HA GLN A 78 13.942 -20.469 -1.605 1.00 0.00 H new ATOM 0 HB2 GLN A 78 14.201 -21.007 -4.608 1.00 0.00 H new ATOM 0 HB3 GLN A 78 15.417 -20.211 -3.629 1.00 0.00 H new ATOM 0 HG2 GLN A 78 15.611 -22.241 -2.187 1.00 0.00 H new ATOM 0 HG3 GLN A 78 14.359 -23.038 -3.119 1.00 0.00 H new ATOM 0 HE21 GLN A 78 16.739 -24.313 -3.096 1.00 0.00 H new ATOM 0 HE22 GLN A 78 17.581 -24.099 -4.635 1.00 0.00 H new ATOM 153 N MET A 79 13.422 -18.113 -2.212 1.00 0.00 N ATOM 154 CA MET A 79 13.012 -16.738 -2.483 1.00 0.00 C ATOM 155 C MET A 79 13.878 -16.124 -3.581 1.00 0.00 C ATOM 156 O MET A 79 15.099 -16.275 -3.582 1.00 0.00 O ATOM 157 CB MET A 79 13.123 -15.899 -1.208 1.00 0.00 C ATOM 158 CG MET A 79 12.168 -16.456 -0.150 1.00 0.00 C ATOM 159 SD MET A 79 12.293 -15.468 1.363 1.00 0.00 S ATOM 160 CE MET A 79 11.159 -16.455 2.374 1.00 0.00 C ATOM 0 H MET A 79 14.013 -18.226 -1.388 1.00 0.00 H new ATOM 0 HA MET A 79 11.976 -16.748 -2.821 1.00 0.00 H new ATOM 0 HB2 MET A 79 14.147 -15.917 -0.835 1.00 0.00 H new ATOM 0 HB3 MET A 79 12.880 -14.858 -1.422 1.00 0.00 H new ATOM 0 HG2 MET A 79 11.144 -16.438 -0.524 1.00 0.00 H new ATOM 0 HG3 MET A 79 12.412 -17.497 0.062 1.00 0.00 H new ATOM 0 HE1 MET A 79 11.084 -16.017 3.369 1.00 0.00 H new ATOM 0 HE2 MET A 79 10.174 -16.468 1.908 1.00 0.00 H new ATOM 0 HE3 MET A 79 11.536 -17.475 2.453 1.00 0.00 H new ATOM 170 N THR A 80 13.232 -15.424 -4.511 1.00 0.00 N ATOM 171 CA THR A 80 13.944 -14.778 -5.611 1.00 0.00 C ATOM 172 C THR A 80 14.526 -13.445 -5.155 1.00 0.00 C ATOM 173 O THR A 80 14.194 -12.953 -4.079 1.00 0.00 O ATOM 174 CB THR A 80 12.997 -14.549 -6.787 1.00 0.00 C ATOM 175 OG1 THR A 80 12.006 -13.608 -6.409 1.00 0.00 O ATOM 176 CG2 THR A 80 12.331 -15.871 -7.174 1.00 0.00 C ATOM 0 H THR A 80 12.221 -15.290 -4.525 1.00 0.00 H new ATOM 0 HA THR A 80 14.758 -15.431 -5.927 1.00 0.00 H new ATOM 0 HB THR A 80 13.557 -14.167 -7.641 1.00 0.00 H new ATOM 0 HG1 THR A 80 11.203 -13.742 -6.954 1.00 0.00 H new ATOM 0 HG21 THR A 80 11.655 -15.706 -8.013 1.00 0.00 H new ATOM 0 HG22 THR A 80 13.095 -16.593 -7.460 1.00 0.00 H new ATOM 0 HG23 THR A 80 11.767 -16.257 -6.325 1.00 0.00 H new ATOM 184 N GLU A 82 15.391 -12.860 -5.977 1.00 0.00 N ATOM 185 CA GLU A 82 16.000 -11.584 -5.629 1.00 0.00 C ATOM 186 C GLU A 82 14.919 -10.529 -5.421 1.00 0.00 C ATOM 187 O GLU A 82 14.966 -9.763 -4.457 1.00 0.00 O ATOM 188 CB GLU A 82 16.945 -11.136 -6.751 1.00 0.00 C ATOM 189 CG GLU A 82 17.617 -9.798 -6.385 1.00 0.00 C ATOM 190 CD GLU A 82 16.724 -8.620 -6.780 1.00 0.00 C ATOM 191 OE1 GLU A 82 16.847 -8.163 -7.904 1.00 0.00 O ATOM 192 OE2 GLU A 82 15.936 -8.193 -5.952 1.00 0.00 O ATOM 0 H GLU A 82 15.682 -13.243 -6.876 1.00 0.00 H new ATOM 0 HA GLU A 82 16.566 -11.703 -4.705 1.00 0.00 H new ATOM 0 HB2 GLU A 82 17.706 -11.898 -6.920 1.00 0.00 H new ATOM 0 HB3 GLU A 82 16.389 -11.028 -7.682 1.00 0.00 H new ATOM 0 HG2 GLU A 82 17.817 -9.766 -5.314 1.00 0.00 H new ATOM 0 HG3 GLU A 82 18.579 -9.718 -6.891 1.00 0.00 H new ATOM 199 N GLU A 83 13.940 -10.500 -6.323 1.00 0.00 N ATOM 200 CA GLU A 83 12.849 -9.536 -6.216 1.00 0.00 C ATOM 201 C GLU A 83 12.037 -9.787 -4.948 1.00 0.00 C ATOM 202 O GLU A 83 11.722 -8.858 -4.209 1.00 0.00 O ATOM 203 CB GLU A 83 11.944 -9.650 -7.444 1.00 0.00 C ATOM 204 CG GLU A 83 10.827 -8.605 -7.366 1.00 0.00 C ATOM 205 CD GLU A 83 9.971 -8.673 -8.624 1.00 0.00 C ATOM 206 OE1 GLU A 83 10.255 -9.508 -9.466 1.00 0.00 O ATOM 207 OE2 GLU A 83 9.043 -7.887 -8.728 1.00 0.00 O ATOM 0 H GLU A 83 13.880 -11.125 -7.127 1.00 0.00 H new ATOM 0 HA GLU A 83 13.269 -8.532 -6.165 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.528 -9.503 -8.352 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.515 -10.650 -7.499 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.210 -8.783 -6.485 1.00 0.00 H new ATOM 0 HG3 GLU A 83 11.255 -7.608 -7.259 1.00 0.00 H new ATOM 214 N GLN A 84 11.713 -11.053 -4.698 1.00 0.00 N ATOM 215 CA GLN A 84 10.946 -11.417 -3.510 1.00 0.00 C ATOM 216 C GLN A 84 11.734 -11.095 -2.241 1.00 0.00 C ATOM 217 O GLN A 84 11.173 -10.617 -1.256 1.00 0.00 O ATOM 218 CB GLN A 84 10.586 -12.917 -3.557 1.00 0.00 C ATOM 219 CG GLN A 84 9.254 -13.118 -4.296 1.00 0.00 C ATOM 220 CD GLN A 84 9.265 -12.389 -5.637 1.00 0.00 C ATOM 221 OE1 GLN A 84 9.803 -12.898 -6.620 1.00 0.00 O ATOM 222 NE2 GLN A 84 8.705 -11.216 -5.733 1.00 0.00 N ATOM 0 H GLN A 84 11.967 -11.839 -5.297 1.00 0.00 H new ATOM 0 HA GLN A 84 10.025 -10.834 -3.495 1.00 0.00 H new ATOM 0 HB2 GLN A 84 11.377 -13.473 -4.060 1.00 0.00 H new ATOM 0 HB3 GLN A 84 10.512 -13.313 -2.544 1.00 0.00 H new ATOM 0 HG2 GLN A 84 9.078 -14.182 -4.456 1.00 0.00 H new ATOM 0 HG3 GLN A 84 8.433 -12.748 -3.682 1.00 0.00 H new ATOM 0 HE21 GLN A 84 8.259 -10.795 -4.918 1.00 0.00 H new ATOM 0 HE22 GLN A 84 8.712 -10.719 -6.624 1.00 0.00 H new ATOM 231 N PHE A 85 13.032 -11.361 -2.273 1.00 0.00 N ATOM 232 CA PHE A 85 13.881 -11.101 -1.120 1.00 0.00 C ATOM 233 C PHE A 85 13.885 -9.613 -0.773 1.00 0.00 C ATOM 234 O PHE A 85 13.712 -9.240 0.388 1.00 0.00 O ATOM 235 CB PHE A 85 15.308 -11.565 -1.411 1.00 0.00 C ATOM 236 CG PHE A 85 16.183 -11.257 -0.220 1.00 0.00 C ATOM 237 CD1 PHE A 85 16.097 -12.052 0.928 1.00 0.00 C ATOM 238 CD2 PHE A 85 17.077 -10.182 -0.261 1.00 0.00 C ATOM 239 CE1 PHE A 85 16.903 -11.773 2.034 1.00 0.00 C ATOM 240 CE2 PHE A 85 17.885 -9.901 0.844 1.00 0.00 C ATOM 241 CZ PHE A 85 17.799 -10.697 1.993 1.00 0.00 C ATOM 0 H PHE A 85 13.518 -11.754 -3.079 1.00 0.00 H new ATOM 0 HA PHE A 85 13.484 -11.655 -0.269 1.00 0.00 H new ATOM 0 HB2 PHE A 85 15.320 -12.635 -1.619 1.00 0.00 H new ATOM 0 HB3 PHE A 85 15.692 -11.063 -2.299 1.00 0.00 H new ATOM 0 HD1 PHE A 85 15.407 -12.882 0.959 1.00 0.00 H new ATOM 0 HD2 PHE A 85 17.143 -9.569 -1.147 1.00 0.00 H new ATOM 0 HE1 PHE A 85 16.835 -12.386 2.920 1.00 0.00 H new ATOM 0 HE2 PHE A 85 18.575 -9.071 0.812 1.00 0.00 H new ATOM 0 HZ PHE A 85 18.423 -10.481 2.847 1.00 0.00 H new ATOM 251 N ALA A 86 14.079 -8.770 -1.782 1.00 0.00 N ATOM 252 CA ALA A 86 14.099 -7.326 -1.562 1.00 0.00 C ATOM 253 C ALA A 86 12.757 -6.854 -1.012 1.00 0.00 C ATOM 254 O ALA A 86 12.701 -6.016 -0.111 1.00 0.00 O ATOM 255 CB ALA A 86 14.398 -6.603 -2.878 1.00 0.00 C ATOM 0 H ALA A 86 14.223 -9.056 -2.750 1.00 0.00 H new ATOM 0 HA ALA A 86 14.879 -7.095 -0.836 1.00 0.00 H new ATOM 0 HB1 ALA A 86 14.411 -5.527 -2.707 1.00 0.00 H new ATOM 0 HB2 ALA A 86 15.369 -6.922 -3.256 1.00 0.00 H new ATOM 0 HB3 ALA A 86 13.627 -6.844 -3.609 1.00 0.00 H new ATOM 261 N LEU A 87 11.679 -7.406 -1.555 1.00 0.00 N ATOM 262 CA LEU A 87 10.336 -7.048 -1.112 1.00 0.00 C ATOM 263 C LEU A 87 10.123 -7.448 0.342 1.00 0.00 C ATOM 264 O LEU A 87 9.484 -6.725 1.106 1.00 0.00 O ATOM 265 CB LEU A 87 9.296 -7.736 -1.998 1.00 0.00 C ATOM 266 CG LEU A 87 9.297 -7.104 -3.399 1.00 0.00 C ATOM 267 CD1 LEU A 87 8.485 -7.994 -4.346 1.00 0.00 C ATOM 268 CD2 LEU A 87 8.669 -5.693 -3.357 1.00 0.00 C ATOM 0 H LEU A 87 11.707 -8.101 -2.301 1.00 0.00 H new ATOM 0 HA LEU A 87 10.222 -5.967 -1.193 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.516 -8.801 -2.071 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.307 -7.644 -1.550 1.00 0.00 H new ATOM 0 HG LEU A 87 10.325 -7.018 -3.751 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.479 -7.554 -5.343 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.936 -8.986 -4.389 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.462 -8.076 -3.980 1.00 0.00 H new ATOM 0 HD21 LEU A 87 8.678 -5.261 -4.358 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.641 -5.763 -3.001 1.00 0.00 H new ATOM 0 HD23 LEU A 87 9.244 -5.059 -2.683 1.00 0.00 H new ATOM 280 N ALA A 88 10.652 -8.608 0.720 1.00 0.00 N ATOM 281 CA ALA A 88 10.499 -9.092 2.086 1.00 0.00 C ATOM 282 C ALA A 88 11.118 -8.109 3.074 1.00 0.00 C ATOM 283 O ALA A 88 10.540 -7.827 4.124 1.00 0.00 O ATOM 284 CB ALA A 88 11.180 -10.456 2.231 1.00 0.00 C ATOM 0 H ALA A 88 11.185 -9.224 0.106 1.00 0.00 H new ATOM 0 HA ALA A 88 9.435 -9.188 2.303 1.00 0.00 H new ATOM 0 HB1 ALA A 88 11.063 -10.814 3.254 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.722 -11.167 1.543 1.00 0.00 H new ATOM 0 HB3 ALA A 88 12.241 -10.360 1.999 1.00 0.00 H new ATOM 290 N LEU A 89 12.290 -7.587 2.731 1.00 0.00 N ATOM 291 CA LEU A 89 12.972 -6.633 3.600 1.00 0.00 C ATOM 292 C LEU A 89 12.173 -5.338 3.712 1.00 0.00 C ATOM 293 O LEU A 89 12.068 -4.750 4.791 1.00 0.00 O ATOM 294 CB LEU A 89 14.366 -6.329 3.045 1.00 0.00 C ATOM 295 CG LEU A 89 15.249 -7.585 3.124 1.00 0.00 C ATOM 296 CD1 LEU A 89 16.573 -7.310 2.401 1.00 0.00 C ATOM 297 CD2 LEU A 89 15.526 -7.962 4.595 1.00 0.00 C ATOM 0 H LEU A 89 12.785 -7.805 1.866 1.00 0.00 H new ATOM 0 HA LEU A 89 13.062 -7.075 4.592 1.00 0.00 H new ATOM 0 HB2 LEU A 89 14.289 -5.993 2.011 1.00 0.00 H new ATOM 0 HB3 LEU A 89 14.823 -5.517 3.611 1.00 0.00 H new ATOM 0 HG LEU A 89 14.731 -8.417 2.648 1.00 0.00 H new ATOM 0 HD11 LEU A 89 17.206 -8.196 2.452 1.00 0.00 H new ATOM 0 HD12 LEU A 89 16.374 -7.066 1.358 1.00 0.00 H new ATOM 0 HD13 LEU A 89 17.081 -6.473 2.879 1.00 0.00 H new ATOM 0 HD21 LEU A 89 16.152 -8.853 4.630 1.00 0.00 H new ATOM 0 HD22 LEU A 89 16.039 -7.138 5.091 1.00 0.00 H new ATOM 0 HD23 LEU A 89 14.583 -8.161 5.103 1.00 0.00 H new ATOM 309 N LYS A 90 11.607 -4.899 2.592 1.00 0.00 N ATOM 310 CA LYS A 90 10.819 -3.669 2.578 1.00 0.00 C ATOM 311 C LYS A 90 9.587 -3.810 3.465 1.00 0.00 C ATOM 312 O LYS A 90 9.217 -2.881 4.180 1.00 0.00 O ATOM 313 CB LYS A 90 10.390 -3.341 1.146 1.00 0.00 C ATOM 314 CG LYS A 90 11.615 -2.920 0.331 1.00 0.00 C ATOM 315 CD LYS A 90 11.195 -2.618 -1.109 1.00 0.00 C ATOM 316 CE LYS A 90 12.425 -2.226 -1.931 1.00 0.00 C ATOM 317 NZ LYS A 90 13.007 -0.964 -1.389 1.00 0.00 N ATOM 0 H LYS A 90 11.677 -5.370 1.690 1.00 0.00 H new ATOM 0 HA LYS A 90 11.437 -2.859 2.965 1.00 0.00 H new ATOM 0 HB2 LYS A 90 9.917 -4.210 0.689 1.00 0.00 H new ATOM 0 HB3 LYS A 90 9.650 -2.540 1.151 1.00 0.00 H new ATOM 0 HG2 LYS A 90 12.077 -2.040 0.778 1.00 0.00 H new ATOM 0 HG3 LYS A 90 12.363 -3.713 0.344 1.00 0.00 H new ATOM 0 HD2 LYS A 90 10.714 -3.492 -1.549 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.463 -1.810 -1.123 1.00 0.00 H new ATOM 0 HE2 LYS A 90 13.167 -3.024 -1.898 1.00 0.00 H new ATOM 0 HE3 LYS A 90 12.148 -2.091 -2.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 13.619 -0.527 -2.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 12.240 -0.306 -1.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 13.568 -1.177 -0.540 1.00 0.00 H new ATOM 331 N MET A 91 8.956 -4.977 3.418 1.00 0.00 N ATOM 332 CA MET A 91 7.767 -5.219 4.228 1.00 0.00 C ATOM 333 C MET A 91 8.102 -5.169 5.717 1.00 0.00 C ATOM 334 O MET A 91 7.343 -4.622 6.522 1.00 0.00 O ATOM 335 CB MET A 91 7.171 -6.586 3.880 1.00 0.00 C ATOM 336 CG MET A 91 6.564 -6.538 2.478 1.00 0.00 C ATOM 337 SD MET A 91 6.044 -8.201 1.987 1.00 0.00 S ATOM 338 CE MET A 91 4.679 -8.383 3.163 1.00 0.00 C ATOM 0 H MET A 91 9.243 -5.763 2.835 1.00 0.00 H new ATOM 0 HA MET A 91 7.040 -4.437 4.011 1.00 0.00 H new ATOM 0 HB2 MET A 91 7.944 -7.354 3.927 1.00 0.00 H new ATOM 0 HB3 MET A 91 6.407 -6.857 4.609 1.00 0.00 H new ATOM 0 HG2 MET A 91 5.711 -5.860 2.463 1.00 0.00 H new ATOM 0 HG3 MET A 91 7.293 -6.149 1.768 1.00 0.00 H new ATOM 0 HE1 MET A 91 3.822 -8.830 2.659 1.00 0.00 H new ATOM 0 HE2 MET A 91 4.991 -9.026 3.986 1.00 0.00 H new ATOM 0 HE3 MET A 91 4.401 -7.404 3.552 1.00 0.00 H new ATOM 348 N SER A 92 9.244 -5.739 6.083 1.00 0.00 N ATOM 349 CA SER A 92 9.655 -5.758 7.483 1.00 0.00 C ATOM 350 C SER A 92 9.829 -4.338 8.006 1.00 0.00 C ATOM 351 O SER A 92 9.479 -4.043 9.149 1.00 0.00 O ATOM 352 CB SER A 92 10.967 -6.527 7.632 1.00 0.00 C ATOM 353 OG SER A 92 11.983 -5.864 6.892 1.00 0.00 O ATOM 0 H SER A 92 9.895 -6.189 5.440 1.00 0.00 H new ATOM 0 HA SER A 92 8.879 -6.254 8.065 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.248 -6.590 8.683 1.00 0.00 H new ATOM 0 HB3 SER A 92 10.846 -7.549 7.272 1.00 0.00 H new ATOM 0 HG SER A 92 11.606 -5.516 6.057 1.00 0.00 H new ATOM 359 N GLU A 93 10.358 -3.461 7.168 1.00 0.00 N ATOM 360 CA GLU A 93 10.554 -2.071 7.563 1.00 0.00 C ATOM 361 C GLU A 93 9.202 -1.375 7.738 1.00 0.00 C ATOM 362 O GLU A 93 9.026 -0.549 8.633 1.00 0.00 O ATOM 363 CB GLU A 93 11.389 -1.337 6.508 1.00 0.00 C ATOM 364 CG GLU A 93 12.820 -1.898 6.481 1.00 0.00 C ATOM 365 CD GLU A 93 13.508 -1.696 7.829 1.00 0.00 C ATOM 366 OE1 GLU A 93 13.426 -0.600 8.355 1.00 0.00 O ATOM 367 OE2 GLU A 93 14.109 -2.642 8.312 1.00 0.00 O ATOM 0 H GLU A 93 10.658 -3.681 6.218 1.00 0.00 H new ATOM 0 HA GLU A 93 11.086 -2.049 8.514 1.00 0.00 H new ATOM 0 HB2 GLU A 93 10.928 -1.448 5.527 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.413 -0.270 6.730 1.00 0.00 H new ATOM 0 HG2 GLU A 93 12.794 -2.960 6.236 1.00 0.00 H new ATOM 0 HG3 GLU A 93 13.394 -1.404 5.697 1.00 0.00 H new ATOM 374 N GLN A 94 8.251 -1.718 6.874 1.00 0.00 N ATOM 375 CA GLN A 94 6.916 -1.123 6.930 1.00 0.00 C ATOM 376 C GLN A 94 6.200 -1.502 8.222 1.00 0.00 C ATOM 377 O GLN A 94 5.248 -0.836 8.628 1.00 0.00 O ATOM 378 CB GLN A 94 6.082 -1.579 5.729 1.00 0.00 C ATOM 379 CG GLN A 94 6.614 -0.930 4.446 1.00 0.00 C ATOM 380 CD GLN A 94 6.392 0.578 4.481 1.00 0.00 C ATOM 381 OE1 GLN A 94 7.352 1.349 4.485 1.00 0.00 O ATOM 382 NE2 GLN A 94 5.175 1.049 4.506 1.00 0.00 N ATOM 0 H GLN A 94 8.377 -2.402 6.128 1.00 0.00 H new ATOM 0 HA GLN A 94 7.031 -0.039 6.902 1.00 0.00 H new ATOM 0 HB2 GLN A 94 6.120 -2.665 5.640 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.037 -1.308 5.877 1.00 0.00 H new ATOM 0 HG2 GLN A 94 7.677 -1.145 4.336 1.00 0.00 H new ATOM 0 HG3 GLN A 94 6.111 -1.358 3.579 1.00 0.00 H new ATOM 0 HE21 GLN A 94 4.380 0.409 4.503 1.00 0.00 H new ATOM 0 HE22 GLN A 94 5.018 2.057 4.529 1.00 0.00 H new ATOM 391 N GLU A 95 6.657 -2.568 8.870 1.00 0.00 N ATOM 392 CA GLU A 95 6.033 -3.003 10.121 1.00 0.00 C ATOM 393 C GLU A 95 6.340 -2.014 11.243 1.00 0.00 C ATOM 394 O GLU A 95 5.712 -2.050 12.299 1.00 0.00 O ATOM 395 CB GLU A 95 6.542 -4.391 10.518 1.00 0.00 C ATOM 396 CG GLU A 95 6.044 -5.431 9.514 1.00 0.00 C ATOM 397 CD GLU A 95 4.541 -5.621 9.668 1.00 0.00 C ATOM 398 OE1 GLU A 95 4.027 -5.296 10.726 1.00 0.00 O ATOM 399 OE2 GLU A 95 3.924 -6.088 8.725 1.00 0.00 O ATOM 0 H GLU A 95 7.443 -3.140 8.560 1.00 0.00 H new ATOM 0 HA GLU A 95 4.955 -3.046 9.964 1.00 0.00 H new ATOM 0 HB2 GLU A 95 7.632 -4.394 10.549 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.194 -4.643 11.520 1.00 0.00 H new ATOM 0 HG2 GLU A 95 6.277 -5.110 8.499 1.00 0.00 H new ATOM 0 HG3 GLU A 95 6.558 -6.379 9.674 1.00 0.00 H new ATOM 406 N ALA A 96 7.297 -1.122 10.998 1.00 0.00 N ATOM 407 CA ALA A 96 7.667 -0.111 11.982 1.00 0.00 C ATOM 408 C ALA A 96 8.476 -0.720 13.126 1.00 0.00 C ATOM 409 O ALA A 96 8.356 -0.299 14.276 1.00 0.00 O ATOM 410 CB ALA A 96 6.407 0.566 12.534 1.00 0.00 C ATOM 0 H ALA A 96 7.828 -1.080 10.128 1.00 0.00 H new ATOM 0 HA ALA A 96 8.291 0.632 11.486 1.00 0.00 H new ATOM 0 HB1 ALA A 96 6.691 1.320 13.268 1.00 0.00 H new ATOM 0 HB2 ALA A 96 5.862 1.041 11.718 1.00 0.00 H new ATOM 0 HB3 ALA A 96 5.771 -0.181 13.008 1.00 0.00 H new ATOM 416 N ARG A 97 9.304 -1.698 12.797 1.00 0.00 N ATOM 417 CA ARG A 97 10.137 -2.346 13.803 1.00 0.00 C ATOM 418 C ARG A 97 11.248 -1.402 14.251 1.00 0.00 C ATOM 419 O ARG A 97 12.387 -1.507 13.798 1.00 0.00 O ATOM 420 CB ARG A 97 10.750 -3.628 13.233 1.00 0.00 C ATOM 421 CG ARG A 97 9.662 -4.693 13.086 1.00 0.00 C ATOM 422 CD ARG A 97 10.242 -5.923 12.386 1.00 0.00 C ATOM 423 NE ARG A 97 9.233 -6.973 12.290 1.00 0.00 N ATOM 424 CZ ARG A 97 9.482 -8.106 11.640 1.00 0.00 C ATOM 425 NH1 ARG A 97 10.643 -8.294 11.074 1.00 0.00 N ATOM 426 NH2 ARG A 97 8.564 -9.032 11.568 1.00 0.00 N ATOM 0 H ARG A 97 9.419 -2.060 11.850 1.00 0.00 H new ATOM 0 HA ARG A 97 9.514 -2.598 14.661 1.00 0.00 H new ATOM 0 HB2 ARG A 97 11.208 -3.425 12.265 1.00 0.00 H new ATOM 0 HB3 ARG A 97 11.541 -3.989 13.891 1.00 0.00 H new ATOM 0 HG2 ARG A 97 9.274 -4.969 14.066 1.00 0.00 H new ATOM 0 HG3 ARG A 97 8.825 -4.296 12.512 1.00 0.00 H new ATOM 0 HD2 ARG A 97 10.591 -5.652 11.390 1.00 0.00 H new ATOM 0 HD3 ARG A 97 11.107 -6.290 12.938 1.00 0.00 H new ATOM 0 HE ARG A 97 8.322 -6.836 12.728 1.00 0.00 H new ATOM 0 HH11 ARG A 97 11.361 -7.571 11.130 1.00 0.00 H new ATOM 0 HH12 ARG A 97 10.833 -9.164 10.576 1.00 0.00 H new ATOM 0 HH21 ARG A 97 7.657 -8.886 12.010 1.00 0.00 H new ATOM 0 HH22 ARG A 97 8.754 -9.901 11.070 1.00 0.00 H new ATOM 440 N GLU A 98 10.907 -0.483 15.149 1.00 0.00 N ATOM 441 CA GLU A 98 11.879 0.476 15.663 1.00 0.00 C ATOM 442 C GLU A 98 12.387 1.382 14.541 1.00 0.00 C ATOM 443 O GLU A 98 13.403 2.061 14.686 1.00 0.00 O ATOM 444 CB GLU A 98 13.052 -0.281 16.303 1.00 0.00 C ATOM 445 CG GLU A 98 13.752 0.604 17.340 1.00 0.00 C ATOM 446 CD GLU A 98 12.860 0.773 18.565 1.00 0.00 C ATOM 447 OE1 GLU A 98 11.897 0.032 18.678 1.00 0.00 O ATOM 448 OE2 GLU A 98 13.154 1.638 19.372 1.00 0.00 O ATOM 0 H GLU A 98 9.968 -0.382 15.535 1.00 0.00 H new ATOM 0 HA GLU A 98 11.397 1.102 16.414 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.690 -1.193 16.778 1.00 0.00 H new ATOM 0 HB3 GLU A 98 13.762 -0.583 15.533 1.00 0.00 H new ATOM 0 HG2 GLU A 98 14.703 0.157 17.630 1.00 0.00 H new ATOM 0 HG3 GLU A 98 13.978 1.578 16.906 1.00 0.00 H new ATOM 455 N VAL A 99 11.672 1.384 13.419 1.00 0.00 N ATOM 456 CA VAL A 99 12.054 2.205 12.269 1.00 0.00 C ATOM 457 C VAL A 99 11.434 3.591 12.371 1.00 0.00 C ATOM 458 O VAL A 99 10.374 3.763 12.973 1.00 0.00 O ATOM 459 CB VAL A 99 11.584 1.542 10.969 1.00 0.00 C ATOM 460 CG1 VAL A 99 12.449 2.017 9.795 1.00 0.00 C ATOM 461 CG2 VAL A 99 11.706 0.024 11.108 1.00 0.00 C ATOM 0 H VAL A 99 10.828 0.829 13.280 1.00 0.00 H new ATOM 0 HA VAL A 99 13.140 2.297 12.264 1.00 0.00 H new ATOM 0 HB VAL A 99 10.546 1.816 10.780 1.00 0.00 H new ATOM 0 HG11 VAL A 99 12.108 1.541 8.876 1.00 0.00 H new ATOM 0 HG12 VAL A 99 12.365 3.099 9.696 1.00 0.00 H new ATOM 0 HG13 VAL A 99 13.490 1.749 9.978 1.00 0.00 H new ATOM 0 HG21 VAL A 99 11.373 -0.454 10.187 1.00 0.00 H new ATOM 0 HG22 VAL A 99 12.746 -0.241 11.299 1.00 0.00 H new ATOM 0 HG23 VAL A 99 11.086 -0.316 11.937 1.00 0.00 H new ATOM 471 N ASN A 100 12.092 4.571 11.772 1.00 0.00 N ATOM 472 CA ASN A 100 11.581 5.929 11.800 1.00 0.00 C ATOM 473 C ASN A 100 10.402 6.075 10.841 1.00 0.00 C ATOM 474 O ASN A 100 10.493 5.735 9.661 1.00 0.00 O ATOM 475 CB ASN A 100 12.686 6.906 11.397 1.00 0.00 C ATOM 476 CG ASN A 100 13.862 6.789 12.360 1.00 0.00 C ATOM 477 OD1 ASN A 100 13.680 6.851 13.575 1.00 0.00 O ATOM 478 ND2 ASN A 100 15.065 6.616 11.886 1.00 0.00 N ATOM 0 H ASN A 100 12.970 4.453 11.267 1.00 0.00 H new ATOM 0 HA ASN A 100 11.245 6.153 12.812 1.00 0.00 H new ATOM 0 HB2 ASN A 100 13.016 6.695 10.380 1.00 0.00 H new ATOM 0 HB3 ASN A 100 12.301 7.926 11.402 1.00 0.00 H new ATOM 0 HD21 ASN A 100 15.857 6.532 12.523 1.00 0.00 H new ATOM 0 HD22 ASN A 100 15.214 6.565 10.878 1.00 0.00 H new ATOM 485 N SER A 101 9.300 6.590 11.363 1.00 0.00 N ATOM 486 CA SER A 101 8.093 6.795 10.568 1.00 0.00 C ATOM 487 C SER A 101 8.366 7.752 9.408 1.00 0.00 C ATOM 488 O SER A 101 7.901 7.534 8.290 1.00 0.00 O ATOM 489 CB SER A 101 6.982 7.371 11.447 1.00 0.00 C ATOM 490 OG SER A 101 5.815 7.568 10.661 1.00 0.00 O ATOM 0 H SER A 101 9.214 6.876 12.338 1.00 0.00 H new ATOM 0 HA SER A 101 7.781 5.831 10.165 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.768 6.693 12.273 1.00 0.00 H new ATOM 0 HB3 SER A 101 7.303 8.316 11.886 1.00 0.00 H new ATOM 0 HG SER A 101 5.101 7.936 11.222 1.00 0.00 H new ATOM 496 N GLN A 102 9.116 8.814 9.682 1.00 0.00 N ATOM 497 CA GLN A 102 9.432 9.794 8.646 1.00 0.00 C ATOM 498 C GLN A 102 10.228 9.139 7.521 1.00 0.00 C ATOM 499 O GLN A 102 10.001 9.419 6.343 1.00 0.00 O ATOM 500 CB GLN A 102 10.240 10.949 9.241 1.00 0.00 C ATOM 501 CG GLN A 102 9.343 11.784 10.157 1.00 0.00 C ATOM 502 CD GLN A 102 10.161 12.879 10.835 1.00 0.00 C ATOM 503 OE1 GLN A 102 11.263 12.624 11.319 1.00 0.00 O ATOM 504 NE2 GLN A 102 9.685 14.094 10.896 1.00 0.00 N ATOM 0 H GLN A 102 9.512 9.018 10.599 1.00 0.00 H new ATOM 0 HA GLN A 102 8.497 10.181 8.241 1.00 0.00 H new ATOM 0 HB2 GLN A 102 11.089 10.560 9.803 1.00 0.00 H new ATOM 0 HB3 GLN A 102 10.644 11.573 8.443 1.00 0.00 H new ATOM 0 HG2 GLN A 102 8.533 12.229 9.579 1.00 0.00 H new ATOM 0 HG3 GLN A 102 8.883 11.144 10.910 1.00 0.00 H new ATOM 0 HE21 GLN A 102 8.771 14.305 10.494 1.00 0.00 H new ATOM 0 HE22 GLN A 102 10.227 14.832 11.345 1.00 0.00 H new ATOM 513 N GLU A 103 11.155 8.262 7.890 1.00 0.00 N ATOM 514 CA GLU A 103 11.972 7.565 6.903 1.00 0.00 C ATOM 515 C GLU A 103 11.099 6.677 6.021 1.00 0.00 C ATOM 516 O GLU A 103 11.311 6.582 4.813 1.00 0.00 O ATOM 517 CB GLU A 103 13.034 6.715 7.604 1.00 0.00 C ATOM 518 CG GLU A 103 13.922 6.032 6.559 1.00 0.00 C ATOM 519 CD GLU A 103 15.041 5.263 7.249 1.00 0.00 C ATOM 520 OE1 GLU A 103 15.088 5.292 8.467 1.00 0.00 O ATOM 521 OE2 GLU A 103 15.833 4.655 6.549 1.00 0.00 O ATOM 0 H GLU A 103 11.359 8.018 8.859 1.00 0.00 H new ATOM 0 HA GLU A 103 12.465 8.308 6.276 1.00 0.00 H new ATOM 0 HB2 GLU A 103 13.641 7.341 8.258 1.00 0.00 H new ATOM 0 HB3 GLU A 103 12.556 5.965 8.234 1.00 0.00 H new ATOM 0 HG2 GLU A 103 13.325 5.353 5.950 1.00 0.00 H new ATOM 0 HG3 GLU A 103 14.344 6.778 5.885 1.00 0.00 H new ATOM 528 N GLU A 104 10.121 6.021 6.637 1.00 0.00 N ATOM 529 CA GLU A 104 9.227 5.136 5.898 1.00 0.00 C ATOM 530 C GLU A 104 8.429 5.918 4.861 1.00 0.00 C ATOM 531 O GLU A 104 8.211 5.441 3.748 1.00 0.00 O ATOM 532 CB GLU A 104 8.266 4.436 6.862 1.00 0.00 C ATOM 533 CG GLU A 104 9.033 3.409 7.697 1.00 0.00 C ATOM 534 CD GLU A 104 8.134 2.860 8.801 1.00 0.00 C ATOM 535 OE1 GLU A 104 7.116 3.477 9.071 1.00 0.00 O ATOM 536 OE2 GLU A 104 8.476 1.832 9.358 1.00 0.00 O ATOM 0 H GLU A 104 9.928 6.084 7.637 1.00 0.00 H new ATOM 0 HA GLU A 104 9.834 4.390 5.384 1.00 0.00 H new ATOM 0 HB2 GLU A 104 7.792 5.169 7.515 1.00 0.00 H new ATOM 0 HB3 GLU A 104 7.470 3.944 6.304 1.00 0.00 H new ATOM 0 HG2 GLU A 104 9.379 2.595 7.060 1.00 0.00 H new ATOM 0 HG3 GLU A 104 9.919 3.871 8.133 1.00 0.00 H new ATOM 543 N GLU A 105 7.996 7.119 5.229 1.00 0.00 N ATOM 544 CA GLU A 105 7.219 7.946 4.311 1.00 0.00 C ATOM 545 C GLU A 105 8.052 8.282 3.074 1.00 0.00 C ATOM 546 O GLU A 105 7.569 8.189 1.945 1.00 0.00 O ATOM 547 CB GLU A 105 6.793 9.241 5.016 1.00 0.00 C ATOM 548 CG GLU A 105 5.939 10.102 4.078 1.00 0.00 C ATOM 549 CD GLU A 105 4.653 9.366 3.717 1.00 0.00 C ATOM 550 OE1 GLU A 105 4.282 8.468 4.454 1.00 0.00 O ATOM 551 OE2 GLU A 105 4.058 9.711 2.708 1.00 0.00 O ATOM 0 H GLU A 105 8.166 7.538 6.143 1.00 0.00 H new ATOM 0 HA GLU A 105 6.331 7.394 4.001 1.00 0.00 H new ATOM 0 HB2 GLU A 105 6.228 9.003 5.917 1.00 0.00 H new ATOM 0 HB3 GLU A 105 7.675 9.799 5.330 1.00 0.00 H new ATOM 0 HG2 GLU A 105 5.701 11.051 4.558 1.00 0.00 H new ATOM 0 HG3 GLU A 105 6.500 10.335 3.173 1.00 0.00 H new ATOM 558 N GLU A 106 9.305 8.669 3.294 1.00 0.00 N ATOM 559 CA GLU A 106 10.192 9.009 2.187 1.00 0.00 C ATOM 560 C GLU A 106 10.471 7.787 1.320 1.00 0.00 C ATOM 561 O GLU A 106 10.523 7.880 0.093 1.00 0.00 O ATOM 562 CB GLU A 106 11.512 9.568 2.722 1.00 0.00 C ATOM 563 CG GLU A 106 11.264 10.926 3.381 1.00 0.00 C ATOM 564 CD GLU A 106 10.916 11.964 2.318 1.00 0.00 C ATOM 565 OE1 GLU A 106 11.135 11.683 1.152 1.00 0.00 O ATOM 566 OE2 GLU A 106 10.438 13.023 2.688 1.00 0.00 O ATOM 0 H GLU A 106 9.726 8.754 4.219 1.00 0.00 H new ATOM 0 HA GLU A 106 9.698 9.765 1.577 1.00 0.00 H new ATOM 0 HB2 GLU A 106 11.946 8.876 3.444 1.00 0.00 H new ATOM 0 HB3 GLU A 106 12.231 9.673 1.909 1.00 0.00 H new ATOM 0 HG2 GLU A 106 10.452 10.846 4.103 1.00 0.00 H new ATOM 0 HG3 GLU A 106 12.151 11.240 3.932 1.00 0.00 H new ATOM 573 N GLU A 107 10.657 6.641 1.966 1.00 0.00 N ATOM 574 CA GLU A 107 10.936 5.406 1.242 1.00 0.00 C ATOM 575 C GLU A 107 9.769 5.044 0.331 1.00 0.00 C ATOM 576 O GLU A 107 9.967 4.626 -0.809 1.00 0.00 O ATOM 577 CB GLU A 107 11.189 4.267 2.234 1.00 0.00 C ATOM 578 CG GLU A 107 11.561 2.991 1.475 1.00 0.00 C ATOM 579 CD GLU A 107 11.870 1.871 2.460 1.00 0.00 C ATOM 580 OE1 GLU A 107 11.773 2.113 3.652 1.00 0.00 O ATOM 581 OE2 GLU A 107 12.201 0.787 2.010 1.00 0.00 O ATOM 0 H GLU A 107 10.620 6.541 2.980 1.00 0.00 H new ATOM 0 HA GLU A 107 11.824 5.557 0.629 1.00 0.00 H new ATOM 0 HB2 GLU A 107 11.992 4.541 2.919 1.00 0.00 H new ATOM 0 HB3 GLU A 107 10.299 4.095 2.839 1.00 0.00 H new ATOM 0 HG2 GLU A 107 10.741 2.695 0.821 1.00 0.00 H new ATOM 0 HG3 GLU A 107 12.426 3.176 0.838 1.00 0.00 H new ATOM 588 N GLU A 108 8.552 5.201 0.840 1.00 0.00 N ATOM 589 CA GLU A 108 7.367 4.876 0.056 1.00 0.00 C ATOM 590 C GLU A 108 7.273 5.774 -1.172 1.00 0.00 C ATOM 591 O GLU A 108 6.952 5.312 -2.267 1.00 0.00 O ATOM 592 CB GLU A 108 6.111 5.056 0.914 1.00 0.00 C ATOM 593 CG GLU A 108 6.033 3.936 1.953 1.00 0.00 C ATOM 594 CD GLU A 108 5.720 2.611 1.270 1.00 0.00 C ATOM 595 OE1 GLU A 108 4.548 2.312 1.109 1.00 0.00 O ATOM 596 OE2 GLU A 108 6.656 1.913 0.914 1.00 0.00 O ATOM 0 H GLU A 108 8.361 5.547 1.780 1.00 0.00 H new ATOM 0 HA GLU A 108 7.444 3.839 -0.270 1.00 0.00 H new ATOM 0 HB2 GLU A 108 6.134 6.026 1.411 1.00 0.00 H new ATOM 0 HB3 GLU A 108 5.222 5.043 0.283 1.00 0.00 H new ATOM 0 HG2 GLU A 108 6.978 3.862 2.492 1.00 0.00 H new ATOM 0 HG3 GLU A 108 5.263 4.165 2.690 1.00 0.00 H new ATOM 603 N LEU A 109 7.557 7.059 -0.983 1.00 0.00 N ATOM 604 CA LEU A 109 7.501 8.010 -2.089 1.00 0.00 C ATOM 605 C LEU A 109 8.553 7.671 -3.138 1.00 0.00 C ATOM 606 O LEU A 109 8.287 7.719 -4.339 1.00 0.00 O ATOM 607 CB LEU A 109 7.734 9.426 -1.558 1.00 0.00 C ATOM 608 CG LEU A 109 6.528 9.872 -0.714 1.00 0.00 C ATOM 609 CD1 LEU A 109 6.880 11.176 0.010 1.00 0.00 C ATOM 610 CD2 LEU A 109 5.289 10.094 -1.614 1.00 0.00 C ATOM 0 H LEU A 109 7.825 7.463 -0.086 1.00 0.00 H new ATOM 0 HA LEU A 109 6.517 7.953 -2.554 1.00 0.00 H new ATOM 0 HB2 LEU A 109 8.641 9.453 -0.955 1.00 0.00 H new ATOM 0 HB3 LEU A 109 7.883 10.116 -2.389 1.00 0.00 H new ATOM 0 HG LEU A 109 6.293 9.094 0.012 1.00 0.00 H new ATOM 0 HD11 LEU A 109 6.030 11.499 0.611 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.741 11.011 0.658 1.00 0.00 H new ATOM 0 HD13 LEU A 109 7.120 11.946 -0.723 1.00 0.00 H new ATOM 0 HD21 LEU A 109 4.445 10.409 -1.000 1.00 0.00 H new ATOM 0 HD22 LEU A 109 5.509 10.865 -2.352 1.00 0.00 H new ATOM 0 HD23 LEU A 109 5.039 9.164 -2.125 1.00 0.00 H new ATOM 622 N LEU A 110 9.747 7.320 -2.674 1.00 0.00 N ATOM 623 CA LEU A 110 10.835 6.964 -3.578 1.00 0.00 C ATOM 624 C LEU A 110 10.502 5.682 -4.333 1.00 0.00 C ATOM 625 O LEU A 110 10.787 5.559 -5.522 1.00 0.00 O ATOM 626 CB LEU A 110 12.128 6.777 -2.780 1.00 0.00 C ATOM 627 CG LEU A 110 12.617 8.131 -2.239 1.00 0.00 C ATOM 628 CD1 LEU A 110 13.717 7.884 -1.204 1.00 0.00 C ATOM 629 CD2 LEU A 110 13.180 9.004 -3.382 1.00 0.00 C ATOM 0 H LEU A 110 9.986 7.274 -1.683 1.00 0.00 H new ATOM 0 HA LEU A 110 10.969 7.769 -4.301 1.00 0.00 H new ATOM 0 HB2 LEU A 110 11.958 6.087 -1.954 1.00 0.00 H new ATOM 0 HB3 LEU A 110 12.895 6.332 -3.414 1.00 0.00 H new ATOM 0 HG LEU A 110 11.777 8.654 -1.783 1.00 0.00 H new ATOM 0 HD11 LEU A 110 14.071 8.838 -0.814 1.00 0.00 H new ATOM 0 HD12 LEU A 110 13.319 7.283 -0.386 1.00 0.00 H new ATOM 0 HD13 LEU A 110 14.546 7.354 -1.673 1.00 0.00 H new ATOM 0 HD21 LEU A 110 13.520 9.957 -2.978 1.00 0.00 H new ATOM 0 HD22 LEU A 110 14.018 8.490 -3.854 1.00 0.00 H new ATOM 0 HD23 LEU A 110 12.400 9.182 -4.122 1.00 0.00 H new ATOM 641 N ARG A 111 9.895 4.727 -3.632 1.00 0.00 N ATOM 642 CA ARG A 111 9.532 3.457 -4.251 1.00 0.00 C ATOM 643 C ARG A 111 8.560 3.686 -5.404 1.00 0.00 C ATOM 644 O ARG A 111 8.710 3.102 -6.478 1.00 0.00 O ATOM 645 CB ARG A 111 8.891 2.535 -3.207 1.00 0.00 C ATOM 646 CG ARG A 111 8.551 1.186 -3.847 1.00 0.00 C ATOM 647 CD ARG A 111 7.972 0.246 -2.790 1.00 0.00 C ATOM 648 NE ARG A 111 7.586 -1.018 -3.404 1.00 0.00 N ATOM 649 CZ ARG A 111 7.031 -1.993 -2.689 1.00 0.00 C ATOM 650 NH1 ARG A 111 6.830 -1.832 -1.410 1.00 0.00 N ATOM 651 NH2 ARG A 111 6.685 -3.108 -3.271 1.00 0.00 N ATOM 0 H ARG A 111 9.647 4.807 -2.646 1.00 0.00 H new ATOM 0 HA ARG A 111 10.435 2.988 -4.642 1.00 0.00 H new ATOM 0 HB2 ARG A 111 9.573 2.389 -2.369 1.00 0.00 H new ATOM 0 HB3 ARG A 111 7.988 2.996 -2.806 1.00 0.00 H new ATOM 0 HG2 ARG A 111 7.833 1.327 -4.655 1.00 0.00 H new ATOM 0 HG3 ARG A 111 9.445 0.746 -4.288 1.00 0.00 H new ATOM 0 HD2 ARG A 111 8.709 0.069 -2.006 1.00 0.00 H new ATOM 0 HD3 ARG A 111 7.107 0.708 -2.315 1.00 0.00 H new ATOM 0 HE ARG A 111 7.745 -1.158 -4.402 1.00 0.00 H new ATOM 0 HH11 ARG A 111 7.098 -0.958 -0.958 1.00 0.00 H new ATOM 0 HH12 ARG A 111 6.404 -2.580 -0.862 1.00 0.00 H new ATOM 0 HH21 ARG A 111 6.840 -3.231 -4.272 1.00 0.00 H new ATOM 0 HH22 ARG A 111 6.259 -3.857 -2.725 1.00 0.00 H new ATOM 665 N LYS A 112 7.563 4.538 -5.177 1.00 0.00 N ATOM 666 CA LYS A 112 6.575 4.833 -6.211 1.00 0.00 C ATOM 667 C LYS A 112 7.235 5.514 -7.405 1.00 0.00 C ATOM 668 O LYS A 112 6.918 5.214 -8.555 1.00 0.00 O ATOM 669 CB LYS A 112 5.485 5.748 -5.647 1.00 0.00 C ATOM 670 CG LYS A 112 4.628 4.968 -4.642 1.00 0.00 C ATOM 671 CD LYS A 112 3.399 5.790 -4.224 1.00 0.00 C ATOM 672 CE LYS A 112 3.806 6.948 -3.303 1.00 0.00 C ATOM 673 NZ LYS A 112 4.500 6.407 -2.099 1.00 0.00 N ATOM 0 H LYS A 112 7.419 5.031 -4.296 1.00 0.00 H new ATOM 0 HA LYS A 112 6.131 3.893 -6.539 1.00 0.00 H new ATOM 0 HB2 LYS A 112 5.937 6.612 -5.161 1.00 0.00 H new ATOM 0 HB3 LYS A 112 4.860 6.128 -6.456 1.00 0.00 H new ATOM 0 HG2 LYS A 112 4.308 4.025 -5.084 1.00 0.00 H new ATOM 0 HG3 LYS A 112 5.223 4.722 -3.763 1.00 0.00 H new ATOM 0 HD2 LYS A 112 2.900 6.182 -5.110 1.00 0.00 H new ATOM 0 HD3 LYS A 112 2.683 5.147 -3.713 1.00 0.00 H new ATOM 0 HE2 LYS A 112 4.462 7.636 -3.835 1.00 0.00 H new ATOM 0 HE3 LYS A 112 2.925 7.515 -3.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 4.594 7.158 -1.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 3.946 5.621 -1.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 5.444 6.064 -2.367 1.00 0.00 H new ATOM 687 N ALA A 113 8.154 6.433 -7.123 1.00 0.00 N ATOM 688 CA ALA A 113 8.851 7.154 -8.182 1.00 0.00 C ATOM 689 C ALA A 113 9.659 6.194 -9.049 1.00 0.00 C ATOM 690 O ALA A 113 9.679 6.316 -10.273 1.00 0.00 O ATOM 691 CB ALA A 113 9.783 8.201 -7.570 1.00 0.00 C ATOM 0 H ALA A 113 8.432 6.694 -6.177 1.00 0.00 H new ATOM 0 HA ALA A 113 8.108 7.647 -8.809 1.00 0.00 H new ATOM 0 HB1 ALA A 113 10.301 8.736 -8.366 1.00 0.00 H new ATOM 0 HB2 ALA A 113 9.199 8.906 -6.978 1.00 0.00 H new ATOM 0 HB3 ALA A 113 10.514 7.707 -6.929 1.00 0.00 H new ATOM 697 N ILE A 114 10.323 5.240 -8.409 1.00 0.00 N ATOM 698 CA ILE A 114 11.129 4.265 -9.136 1.00 0.00 C ATOM 699 C ILE A 114 10.246 3.427 -10.054 1.00 0.00 C ATOM 700 O ILE A 114 10.575 3.211 -11.222 1.00 0.00 O ATOM 701 CB ILE A 114 11.859 3.355 -8.144 1.00 0.00 C ATOM 702 CG1 ILE A 114 12.916 4.167 -7.392 1.00 0.00 C ATOM 703 CG2 ILE A 114 12.546 2.212 -8.898 1.00 0.00 C ATOM 704 CD1 ILE A 114 13.409 3.371 -6.182 1.00 0.00 C ATOM 0 H ILE A 114 10.321 5.120 -7.396 1.00 0.00 H new ATOM 0 HA ILE A 114 11.861 4.797 -9.744 1.00 0.00 H new ATOM 0 HB ILE A 114 11.138 2.943 -7.438 1.00 0.00 H new ATOM 0 HG12 ILE A 114 13.751 4.397 -8.054 1.00 0.00 H new ATOM 0 HG13 ILE A 114 12.495 5.119 -7.067 1.00 0.00 H new ATOM 0 HG21 ILE A 114 13.064 1.567 -8.188 1.00 0.00 H new ATOM 0 HG22 ILE A 114 11.798 1.631 -9.437 1.00 0.00 H new ATOM 0 HG23 ILE A 114 13.265 2.624 -9.606 1.00 0.00 H new ATOM 0 HD11 ILE A 114 14.162 3.950 -5.647 1.00 0.00 H new ATOM 0 HD12 ILE A 114 12.571 3.164 -5.517 1.00 0.00 H new ATOM 0 HD13 ILE A 114 13.846 2.431 -6.519 1.00 0.00 H new ATOM 716 N ALA A 115 9.124 2.955 -9.521 1.00 0.00 N ATOM 717 CA ALA A 115 8.209 2.140 -10.308 1.00 0.00 C ATOM 718 C ALA A 115 7.676 2.933 -11.498 1.00 0.00 C ATOM 719 O ALA A 115 7.586 2.416 -12.611 1.00 0.00 O ATOM 720 CB ALA A 115 7.042 1.677 -9.435 1.00 0.00 C ATOM 0 H ALA A 115 8.830 3.121 -8.559 1.00 0.00 H new ATOM 0 HA ALA A 115 8.751 1.270 -10.679 1.00 0.00 H new ATOM 0 HB1 ALA A 115 6.362 1.068 -10.030 1.00 0.00 H new ATOM 0 HB2 ALA A 115 7.423 1.087 -8.602 1.00 0.00 H new ATOM 0 HB3 ALA A 115 6.508 2.546 -9.050 1.00 0.00 H new ATOM 726 N GLU A 116 7.333 4.193 -11.258 1.00 0.00 N ATOM 727 CA GLU A 116 6.819 5.047 -12.322 1.00 0.00 C ATOM 728 C GLU A 116 7.887 5.279 -13.386 1.00 0.00 C ATOM 729 O GLU A 116 7.600 5.260 -14.583 1.00 0.00 O ATOM 730 CB GLU A 116 6.363 6.390 -11.744 1.00 0.00 C ATOM 731 CG GLU A 116 5.768 7.257 -12.859 1.00 0.00 C ATOM 732 CD GLU A 116 5.238 8.562 -12.277 1.00 0.00 C ATOM 733 OE1 GLU A 116 5.347 8.739 -11.075 1.00 0.00 O ATOM 734 OE2 GLU A 116 4.733 9.366 -13.042 1.00 0.00 O ATOM 0 H GLU A 116 7.400 4.643 -10.345 1.00 0.00 H new ATOM 0 HA GLU A 116 5.968 4.547 -12.784 1.00 0.00 H new ATOM 0 HB2 GLU A 116 5.622 6.227 -10.962 1.00 0.00 H new ATOM 0 HB3 GLU A 116 7.206 6.903 -11.282 1.00 0.00 H new ATOM 0 HG2 GLU A 116 6.527 7.467 -13.612 1.00 0.00 H new ATOM 0 HG3 GLU A 116 4.963 6.719 -13.359 1.00 0.00 H new ATOM 741 N SER A 117 9.119 5.507 -12.945 1.00 0.00 N ATOM 742 CA SER A 117 10.214 5.752 -13.877 1.00 0.00 C ATOM 743 C SER A 117 10.443 4.541 -14.774 1.00 0.00 C ATOM 744 O SER A 117 10.711 4.681 -15.967 1.00 0.00 O ATOM 745 CB SER A 117 11.495 6.060 -13.101 1.00 0.00 C ATOM 746 OG SER A 117 11.851 4.930 -12.316 1.00 0.00 O ATOM 0 H SER A 117 9.383 5.527 -11.960 1.00 0.00 H new ATOM 0 HA SER A 117 9.948 6.604 -14.502 1.00 0.00 H new ATOM 0 HB2 SER A 117 12.302 6.307 -13.791 1.00 0.00 H new ATOM 0 HB3 SER A 117 11.346 6.930 -12.461 1.00 0.00 H new ATOM 0 HG SER A 117 11.040 4.456 -12.039 1.00 0.00 H new ATOM 752 N LEU A 118 10.334 3.350 -14.194 1.00 0.00 N ATOM 753 CA LEU A 118 10.528 2.120 -14.955 1.00 0.00 C ATOM 754 C LEU A 118 9.425 1.947 -15.995 1.00 0.00 C ATOM 755 O LEU A 118 9.674 1.480 -17.106 1.00 0.00 O ATOM 756 CB LEU A 118 10.537 0.922 -14.004 1.00 0.00 C ATOM 757 CG LEU A 118 11.807 0.950 -13.138 1.00 0.00 C ATOM 758 CD1 LEU A 118 11.677 -0.100 -12.030 1.00 0.00 C ATOM 759 CD2 LEU A 118 13.057 0.647 -13.996 1.00 0.00 C ATOM 0 H LEU A 118 10.114 3.210 -13.208 1.00 0.00 H new ATOM 0 HA LEU A 118 11.484 2.180 -15.474 1.00 0.00 H new ATOM 0 HB2 LEU A 118 9.652 0.945 -13.368 1.00 0.00 H new ATOM 0 HB3 LEU A 118 10.496 -0.006 -14.574 1.00 0.00 H new ATOM 0 HG LEU A 118 11.920 1.943 -12.702 1.00 0.00 H new ATOM 0 HD11 LEU A 118 12.574 -0.088 -11.410 1.00 0.00 H new ATOM 0 HD12 LEU A 118 10.807 0.127 -11.414 1.00 0.00 H new ATOM 0 HD13 LEU A 118 11.558 -1.087 -12.476 1.00 0.00 H new ATOM 0 HD21 LEU A 118 13.946 0.671 -13.365 1.00 0.00 H new ATOM 0 HD22 LEU A 118 12.959 -0.341 -14.446 1.00 0.00 H new ATOM 0 HD23 LEU A 118 13.149 1.397 -14.782 1.00 0.00 H new ATOM 771 N ASN A 119 8.204 2.327 -15.626 1.00 0.00 N ATOM 772 CA ASN A 119 7.067 2.211 -16.536 1.00 0.00 C ATOM 773 C ASN A 119 7.008 3.420 -17.466 1.00 0.00 C ATOM 774 O ASN A 119 6.251 3.439 -18.436 1.00 0.00 O ATOM 775 CB ASN A 119 5.768 2.115 -15.730 1.00 0.00 C ATOM 776 CG ASN A 119 5.709 0.775 -15.002 1.00 0.00 C ATOM 777 OD1 ASN A 119 6.402 -0.170 -15.384 1.00 0.00 O ATOM 778 ND2 ASN A 119 4.921 0.635 -13.972 1.00 0.00 N ATOM 0 H ASN A 119 7.977 2.715 -14.710 1.00 0.00 H new ATOM 0 HA ASN A 119 7.188 1.310 -17.137 1.00 0.00 H new ATOM 0 HB2 ASN A 119 5.714 2.932 -15.011 1.00 0.00 H new ATOM 0 HB3 ASN A 119 4.909 2.217 -16.393 1.00 0.00 H new ATOM 0 HD21 ASN A 119 4.877 -0.258 -13.481 1.00 0.00 H new ATOM 0 HD22 ASN A 119 4.348 1.418 -13.658 1.00 0.00 H new ATOM 785 N SER A 120 7.820 4.428 -17.158 1.00 0.00 N ATOM 786 CA SER A 120 7.869 5.644 -17.963 1.00 0.00 C ATOM 787 C SER A 120 8.733 5.437 -19.205 1.00 0.00 C ATOM 788 O SER A 120 9.725 4.709 -19.164 1.00 0.00 O ATOM 789 CB SER A 120 8.430 6.797 -17.131 1.00 0.00 C ATOM 790 OG SER A 120 8.519 7.963 -17.939 1.00 0.00 O ATOM 0 H SER A 120 8.452 4.426 -16.358 1.00 0.00 H new ATOM 0 HA SER A 120 6.855 5.886 -18.282 1.00 0.00 H new ATOM 0 HB2 SER A 120 7.788 6.985 -16.271 1.00 0.00 H new ATOM 0 HB3 SER A 120 9.414 6.534 -16.742 1.00 0.00 H new ATOM 0 HG SER A 120 8.877 8.704 -17.406 1.00 0.00 H new ATOM 796 N CYS A 121 8.355 6.084 -20.305 1.00 0.00 N ATOM 797 CA CYS A 121 9.111 5.959 -21.547 1.00 0.00 C ATOM 798 C CYS A 121 10.403 6.771 -21.461 1.00 0.00 C ATOM 799 O CYS A 121 10.569 7.584 -20.551 1.00 0.00 O ATOM 800 CB CYS A 121 8.270 6.446 -22.730 1.00 0.00 C ATOM 801 SG CYS A 121 8.132 8.249 -22.669 1.00 0.00 S ATOM 0 H CYS A 121 7.539 6.693 -20.362 1.00 0.00 H new ATOM 0 HA CYS A 121 9.360 4.909 -21.698 1.00 0.00 H new ATOM 0 HB2 CYS A 121 8.730 6.137 -23.669 1.00 0.00 H new ATOM 0 HB3 CYS A 121 7.279 5.993 -22.697 1.00 0.00 H new ATOM 0 HG CYS A 121 9.283 8.782 -22.954 1.00 0.00 H new ATOM 807 N ARG A 122 11.322 6.532 -22.393 1.00 0.00 N ATOM 808 CA ARG A 122 12.601 7.235 -22.389 1.00 0.00 C ATOM 809 C ARG A 122 12.424 8.712 -22.777 1.00 0.00 C ATOM 810 O ARG A 122 11.503 9.046 -23.522 1.00 0.00 O ATOM 811 CB ARG A 122 13.594 6.577 -23.359 1.00 0.00 C ATOM 812 CG ARG A 122 14.055 5.203 -22.832 1.00 0.00 C ATOM 813 CD ARG A 122 13.007 4.130 -23.141 1.00 0.00 C ATOM 814 NE ARG A 122 12.727 4.103 -24.572 1.00 0.00 N ATOM 815 CZ ARG A 122 11.736 3.373 -25.067 1.00 0.00 C ATOM 816 NH1 ARG A 122 10.995 2.647 -24.276 1.00 0.00 N ATOM 817 NH2 ARG A 122 11.504 3.383 -26.352 1.00 0.00 N ATOM 0 H ARG A 122 11.207 5.863 -23.154 1.00 0.00 H new ATOM 0 HA ARG A 122 12.996 7.177 -21.375 1.00 0.00 H new ATOM 0 HB2 ARG A 122 13.127 6.457 -24.337 1.00 0.00 H new ATOM 0 HB3 ARG A 122 14.459 7.227 -23.496 1.00 0.00 H new ATOM 0 HG2 ARG A 122 15.007 4.932 -23.289 1.00 0.00 H new ATOM 0 HG3 ARG A 122 14.222 5.257 -21.756 1.00 0.00 H new ATOM 0 HD2 ARG A 122 13.366 3.154 -22.814 1.00 0.00 H new ATOM 0 HD3 ARG A 122 12.091 4.334 -22.587 1.00 0.00 H new ATOM 0 HE ARG A 122 13.305 4.656 -25.205 1.00 0.00 H new ATOM 0 HH11 ARG A 122 11.176 2.639 -23.272 1.00 0.00 H new ATOM 0 HH12 ARG A 122 10.234 2.087 -24.661 1.00 0.00 H new ATOM 0 HH21 ARG A 122 12.084 3.950 -26.970 1.00 0.00 H new ATOM 0 HH22 ARG A 122 10.743 2.823 -26.737 1.00 0.00 H new ATOM 831 N PRO A 123 13.280 9.605 -22.304 1.00 0.00 N ATOM 832 CA PRO A 123 13.184 11.068 -22.642 1.00 0.00 C ATOM 833 C PRO A 123 13.191 11.331 -24.154 1.00 0.00 C ATOM 834 O PRO A 123 13.897 10.662 -24.910 1.00 0.00 O ATOM 835 CB PRO A 123 14.444 11.676 -21.996 1.00 0.00 C ATOM 836 CG PRO A 123 14.817 10.732 -20.905 1.00 0.00 C ATOM 837 CD PRO A 123 14.426 9.344 -21.400 1.00 0.00 C ATOM 0 HA PRO A 123 12.249 11.497 -22.282 1.00 0.00 H new ATOM 0 HB2 PRO A 123 15.250 11.776 -22.723 1.00 0.00 H new ATOM 0 HB3 PRO A 123 14.243 12.673 -21.603 1.00 0.00 H new ATOM 0 HG2 PRO A 123 15.885 10.784 -20.692 1.00 0.00 H new ATOM 0 HG3 PRO A 123 14.295 10.978 -19.980 1.00 0.00 H new ATOM 0 HD2 PRO A 123 15.249 8.860 -21.926 1.00 0.00 H new ATOM 0 HD3 PRO A 123 14.145 8.689 -20.575 1.00 0.00 H new ATOM 845 N SER A 124 12.416 12.327 -24.579 1.00 0.00 N ATOM 846 CA SER A 124 12.351 12.697 -25.992 1.00 0.00 C ATOM 847 C SER A 124 13.632 13.412 -26.418 1.00 0.00 C ATOM 848 O SER A 124 14.390 13.898 -25.578 1.00 0.00 O ATOM 849 CB SER A 124 11.152 13.611 -26.237 1.00 0.00 C ATOM 850 OG SER A 124 11.381 14.865 -25.607 1.00 0.00 O ATOM 0 H SER A 124 11.826 12.891 -23.967 1.00 0.00 H new ATOM 0 HA SER A 124 12.241 11.787 -26.582 1.00 0.00 H new ATOM 0 HB2 SER A 124 11.000 13.751 -27.307 1.00 0.00 H new ATOM 0 HB3 SER A 124 10.245 13.153 -25.843 1.00 0.00 H new ATOM 0 HG SER A 124 10.614 15.455 -25.764 1.00 0.00 H new ATOM 856 N ASP A 125 13.874 13.469 -27.725 1.00 0.00 N ATOM 857 CA ASP A 125 15.073 14.126 -28.244 1.00 0.00 C ATOM 858 C ASP A 125 14.968 15.646 -28.118 1.00 0.00 C ATOM 859 O ASP A 125 13.976 16.251 -28.523 1.00 0.00 O ATOM 860 CB ASP A 125 15.278 13.750 -29.714 1.00 0.00 C ATOM 861 CG ASP A 125 14.067 14.177 -30.538 1.00 0.00 C ATOM 862 OD1 ASP A 125 13.092 14.608 -29.946 1.00 0.00 O ATOM 863 OD2 ASP A 125 14.134 14.070 -31.750 1.00 0.00 O ATOM 0 H ASP A 125 13.263 13.073 -28.439 1.00 0.00 H new ATOM 0 HA ASP A 125 15.925 13.788 -27.654 1.00 0.00 H new ATOM 0 HB2 ASP A 125 16.177 14.231 -30.099 1.00 0.00 H new ATOM 0 HB3 ASP A 125 15.428 12.674 -29.805 1.00 0.00 H new ATOM 868 N ALA A 126 16.010 16.257 -27.560 1.00 0.00 N ATOM 869 CA ALA A 126 16.039 17.707 -27.390 1.00 0.00 C ATOM 870 C ALA A 126 16.127 18.417 -28.740 1.00 0.00 C ATOM 871 O ALA A 126 15.561 19.495 -28.923 1.00 0.00 O ATOM 872 CB ALA A 126 17.233 18.111 -26.523 1.00 0.00 C ATOM 0 H ALA A 126 16.841 15.774 -27.220 1.00 0.00 H new ATOM 0 HA ALA A 126 15.113 18.006 -26.899 1.00 0.00 H new ATOM 0 HB1 ALA A 126 17.245 19.194 -26.403 1.00 0.00 H new ATOM 0 HB2 ALA A 126 17.149 17.638 -25.545 1.00 0.00 H new ATOM 0 HB3 ALA A 126 18.157 17.789 -27.003 1.00 0.00 H new ATOM 878 N SER A 127 16.854 17.813 -29.677 1.00 0.00 N ATOM 879 CA SER A 127 17.027 18.407 -31.000 1.00 0.00 C ATOM 880 C SER A 127 15.781 18.210 -31.855 1.00 0.00 C ATOM 881 O SER A 127 15.595 18.897 -32.857 1.00 0.00 O ATOM 882 CB SER A 127 18.231 17.774 -31.698 1.00 0.00 C ATOM 883 OG SER A 127 19.416 18.107 -30.988 1.00 0.00 O ATOM 0 H SER A 127 17.329 16.920 -29.547 1.00 0.00 H new ATOM 0 HA SER A 127 17.194 19.477 -30.874 1.00 0.00 H new ATOM 0 HB2 SER A 127 18.112 16.691 -31.742 1.00 0.00 H new ATOM 0 HB3 SER A 127 18.298 18.129 -32.726 1.00 0.00 H new ATOM 0 HG SER A 127 20.189 17.701 -31.433 1.00 0.00 H new ATOM 889 N ALA A 128 14.930 17.273 -31.450 1.00 0.00 N ATOM 890 CA ALA A 128 13.697 16.998 -32.182 1.00 0.00 C ATOM 891 C ALA A 128 13.985 16.168 -33.432 1.00 0.00 C ATOM 892 O ALA A 128 13.147 16.071 -34.328 1.00 0.00 O ATOM 893 CB ALA A 128 13.003 18.317 -32.568 1.00 0.00 C ATOM 0 H ALA A 128 15.070 16.693 -30.623 1.00 0.00 H new ATOM 0 HA ALA A 128 13.033 16.426 -31.535 1.00 0.00 H new ATOM 0 HB1 ALA A 128 12.085 18.099 -33.113 1.00 0.00 H new ATOM 0 HB2 ALA A 128 12.764 18.880 -31.666 1.00 0.00 H new ATOM 0 HB3 ALA A 128 13.668 18.907 -33.199 1.00 0.00 H new ATOM 899 N THR A 129 15.172 15.572 -33.486 1.00 0.00 N ATOM 900 CA THR A 129 15.551 14.754 -34.632 1.00 0.00 C ATOM 901 C THR A 129 14.697 13.494 -34.699 1.00 0.00 C ATOM 902 O THR A 129 14.522 12.796 -33.701 1.00 0.00 O ATOM 903 CB THR A 129 17.027 14.361 -34.537 1.00 0.00 C ATOM 904 OG1 THR A 129 17.829 15.533 -34.518 1.00 0.00 O ATOM 905 CG2 THR A 129 17.399 13.500 -35.745 1.00 0.00 C ATOM 0 H THR A 129 15.882 15.639 -32.757 1.00 0.00 H new ATOM 0 HA THR A 129 15.389 15.342 -35.536 1.00 0.00 H new ATOM 0 HB THR A 129 17.198 13.794 -33.622 1.00 0.00 H new ATOM 0 HG1 THR A 129 18.774 15.282 -34.455 1.00 0.00 H new ATOM 0 HG21 THR A 129 18.450 13.218 -35.681 1.00 0.00 H new ATOM 0 HG22 THR A 129 16.782 12.601 -35.755 1.00 0.00 H new ATOM 0 HG23 THR A 129 17.230 14.066 -36.661 1.00 0.00 H new ATOM 913 N ARG A 130 14.164 13.208 -35.882 1.00 0.00 N ATOM 914 CA ARG A 130 13.328 12.028 -36.060 1.00 0.00 C ATOM 915 C ARG A 130 14.192 10.771 -36.090 1.00 0.00 C ATOM 916 O ARG A 130 15.174 10.699 -36.829 1.00 0.00 O ATOM 917 CB ARG A 130 12.536 12.144 -37.369 1.00 0.00 C ATOM 918 CG ARG A 130 11.487 11.021 -37.485 1.00 0.00 C ATOM 919 CD ARG A 130 10.307 11.280 -36.533 1.00 0.00 C ATOM 920 NE ARG A 130 9.184 10.411 -36.875 1.00 0.00 N ATOM 921 CZ ARG A 130 9.130 9.149 -36.457 1.00 0.00 C ATOM 922 NH1 ARG A 130 10.099 8.656 -35.735 1.00 0.00 N ATOM 923 NH2 ARG A 130 8.106 8.403 -36.769 1.00 0.00 N ATOM 0 H ARG A 130 14.294 13.770 -36.723 1.00 0.00 H new ATOM 0 HA ARG A 130 12.633 11.959 -35.223 1.00 0.00 H new ATOM 0 HB2 ARG A 130 12.041 13.114 -37.413 1.00 0.00 H new ATOM 0 HB3 ARG A 130 13.220 12.096 -38.217 1.00 0.00 H new ATOM 0 HG2 ARG A 130 11.126 10.958 -38.511 1.00 0.00 H new ATOM 0 HG3 ARG A 130 11.947 10.061 -37.250 1.00 0.00 H new ATOM 0 HD2 ARG A 130 10.615 11.100 -35.503 1.00 0.00 H new ATOM 0 HD3 ARG A 130 10.001 12.324 -36.597 1.00 0.00 H new ATOM 0 HE ARG A 130 8.424 10.780 -37.447 1.00 0.00 H new ATOM 0 HH11 ARG A 130 10.900 9.238 -35.490 1.00 0.00 H new ATOM 0 HH12 ARG A 130 10.056 7.688 -35.416 1.00 0.00 H new ATOM 0 HH21 ARG A 130 7.348 8.787 -37.333 1.00 0.00 H new ATOM 0 HH22 ARG A 130 8.064 7.435 -36.449 1.00 0.00 H new ATOM 937 N SER A 131 13.821 9.784 -35.282 1.00 0.00 N ATOM 938 CA SER A 131 14.569 8.536 -35.226 1.00 0.00 C ATOM 939 C SER A 131 13.725 7.439 -34.586 1.00 0.00 C ATOM 940 O SER A 131 13.387 6.497 -35.283 1.00 0.00 O ATOM 941 CB SER A 131 15.853 8.733 -34.417 1.00 0.00 C ATOM 942 OG SER A 131 16.661 9.716 -35.051 1.00 0.00 O ATOM 943 OXT SER A 131 13.428 7.557 -33.409 1.00 0.00 O ATOM 0 H SER A 131 13.013 9.824 -34.661 1.00 0.00 H new ATOM 0 HA SER A 131 14.824 8.238 -36.243 1.00 0.00 H new ATOM 0 HB2 SER A 131 15.612 9.044 -33.401 1.00 0.00 H new ATOM 0 HB3 SER A 131 16.397 7.792 -34.342 1.00 0.00 H new ATOM 0 HG SER A 131 16.332 9.873 -35.960 1.00 0.00 H new TER 949 SER A 131