USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 784 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 78 LYS NZ :NH3+ 179:sc= 0.934 (180deg=-0.0422) USER MOD Set 1.2: A 79 ASN : amide:sc= -0.608! C(o=0.33!,f=-9.1!) USER MOD Set 2.1: A 73 GLN : amide:sc= 0.187 X(o=0.011,f=-0.18) USER MOD Set 2.2: A 74 TYR OH : rot 150:sc= -0.176 USER MOD Set 3.1: A 28 HIS : no HD1:sc= -3.72 K(o=-3.7,f=-11!) USER MOD Set 3.2: A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -130:sc= -0.208 (180deg=-1.19) USER MOD Single : A 1 MET N :NH3+ -120:sc= 0.122 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.101 USER MOD Single : A 4 THR OG1 : rot 154:sc= 0.183 USER MOD Single : A 10 THR OG1 : rot 79:sc= 0.771 USER MOD Single : A 15 THR OG1 : rot 83:sc= 1.27 USER MOD Single : A 16 CYS SG : rot 100:sc= -1.1 USER MOD Single : A 22 THR OG1 : rot -37:sc= 1.01 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0738 USER MOD Single : A 27 SER OG : rot 180:sc= -0.281 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -137:sc= -0.496 (180deg=-2.48!) USER MOD Single : A 54 LYS NZ :NH3+ 175:sc= 0.404 (180deg=0.392) USER MOD Single : A 59 LYS NZ :NH3+ -176:sc= -0.061 (180deg=-0.0794) USER MOD Single : A 61 THR OG1 : rot 80:sc= 0.936 USER MOD Single : A 62 GLN : amide:sc= 0.0213 X(o=0.021,f=-0.037) USER MOD Single : A 65 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.102 USER MOD Single : A 91 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0368) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 HIS : no HE2:sc= -0.466 K(o=-0.47,f=-4.1!) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.382 15.020 7.287 1.00 0.00 N ATOM 2 CA MET A 1 -5.784 15.944 6.299 1.00 0.00 C ATOM 3 C MET A 1 -5.099 15.156 5.182 1.00 0.00 C ATOM 4 O MET A 1 -5.005 13.923 5.242 1.00 0.00 O ATOM 5 CB MET A 1 -4.759 16.894 6.977 1.00 0.00 C ATOM 6 CG MET A 1 -3.523 16.194 7.576 1.00 0.00 C ATOM 7 SD MET A 1 -2.204 17.352 8.006 1.00 0.00 S ATOM 8 CE MET A 1 -1.765 17.999 6.390 1.00 0.00 C ATOM 0 H1 MET A 1 -7.408 15.182 7.337 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.201 14.038 6.998 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.958 15.189 8.222 1.00 0.00 H new ATOM 0 HA MET A 1 -6.586 16.547 5.873 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.423 17.626 6.243 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.265 17.446 7.769 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.820 15.641 8.467 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.142 15.465 6.861 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.685 17.940 6.256 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.259 17.412 5.616 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.084 19.039 6.315 1.00 0.00 H new ATOM 20 N THR A 2 -4.604 15.888 4.174 1.00 0.00 N ATOM 21 CA THR A 2 -3.834 15.307 3.079 1.00 0.00 C ATOM 22 C THR A 2 -2.476 14.799 3.592 1.00 0.00 C ATOM 23 O THR A 2 -1.611 15.580 4.005 1.00 0.00 O ATOM 24 CB THR A 2 -3.631 16.317 1.913 1.00 0.00 C ATOM 25 OG1 THR A 2 -4.916 16.812 1.492 1.00 0.00 O ATOM 26 CG2 THR A 2 -2.900 15.668 0.712 1.00 0.00 C ATOM 0 H THR A 2 -4.729 16.898 4.100 1.00 0.00 H new ATOM 0 HA THR A 2 -4.404 14.465 2.686 1.00 0.00 H new ATOM 0 HB THR A 2 -3.008 17.136 2.273 1.00 0.00 H new ATOM 0 HG1 THR A 2 -4.796 17.451 0.758 1.00 0.00 H new ATOM 0 HG21 THR A 2 -2.778 16.406 -0.081 1.00 0.00 H new ATOM 0 HG22 THR A 2 -1.920 15.312 1.031 1.00 0.00 H new ATOM 0 HG23 THR A 2 -3.487 14.828 0.339 1.00 0.00 H new ATOM 34 N SER A 3 -2.335 13.479 3.567 1.00 0.00 N ATOM 35 CA SER A 3 -1.155 12.755 4.026 1.00 0.00 C ATOM 36 C SER A 3 -0.925 11.555 3.093 1.00 0.00 C ATOM 37 O SER A 3 -1.765 11.271 2.221 1.00 0.00 O ATOM 38 CB SER A 3 -1.368 12.298 5.494 1.00 0.00 C ATOM 39 OG SER A 3 -2.552 11.515 5.634 1.00 0.00 O ATOM 0 H SER A 3 -3.065 12.861 3.214 1.00 0.00 H new ATOM 0 HA SER A 3 -0.273 13.395 3.999 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.506 11.718 5.824 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.430 13.172 6.142 1.00 0.00 H new ATOM 0 HG SER A 3 -2.655 11.242 6.570 1.00 0.00 H new ATOM 45 N THR A 4 0.212 10.862 3.266 1.00 0.00 N ATOM 46 CA THR A 4 0.527 9.667 2.465 1.00 0.00 C ATOM 47 C THR A 4 -0.502 8.546 2.733 1.00 0.00 C ATOM 48 O THR A 4 -0.925 7.861 1.806 1.00 0.00 O ATOM 49 CB THR A 4 1.972 9.161 2.748 1.00 0.00 C ATOM 50 OG1 THR A 4 2.893 10.256 2.604 1.00 0.00 O ATOM 51 CG2 THR A 4 2.375 8.040 1.773 1.00 0.00 C ATOM 0 H THR A 4 0.927 11.107 3.951 1.00 0.00 H new ATOM 0 HA THR A 4 0.471 9.947 1.413 1.00 0.00 H new ATOM 0 HB THR A 4 2.001 8.764 3.763 1.00 0.00 H new ATOM 0 HG1 THR A 4 3.686 10.091 3.156 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.389 7.709 1.998 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.688 7.201 1.879 1.00 0.00 H new ATOM 0 HG23 THR A 4 2.334 8.415 0.750 1.00 0.00 H new ATOM 59 N PHE A 5 -0.963 8.444 4.000 1.00 0.00 N ATOM 60 CA PHE A 5 -2.015 7.478 4.381 1.00 0.00 C ATOM 61 C PHE A 5 -3.353 7.862 3.735 1.00 0.00 C ATOM 62 O PHE A 5 -4.050 6.998 3.224 1.00 0.00 O ATOM 63 CB PHE A 5 -2.188 7.350 5.921 1.00 0.00 C ATOM 64 CG PHE A 5 -3.394 6.480 6.318 1.00 0.00 C ATOM 65 CD1 PHE A 5 -3.409 5.110 6.049 1.00 0.00 C ATOM 66 CD2 PHE A 5 -4.539 7.047 6.895 1.00 0.00 C ATOM 67 CE1 PHE A 5 -4.521 4.344 6.344 1.00 0.00 C ATOM 68 CE2 PHE A 5 -5.643 6.271 7.198 1.00 0.00 C ATOM 69 CZ PHE A 5 -5.634 4.922 6.917 1.00 0.00 C ATOM 0 H PHE A 5 -0.624 9.017 4.773 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.693 6.504 4.012 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -1.281 6.922 6.349 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.306 8.344 6.352 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -2.542 4.644 5.605 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -4.559 8.106 7.106 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.518 3.287 6.124 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -6.512 6.722 7.655 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.499 4.317 7.146 1.00 0.00 H new ATOM 79 N ASP A 6 -3.688 9.162 3.790 1.00 0.00 N ATOM 80 CA ASP A 6 -4.930 9.715 3.199 1.00 0.00 C ATOM 81 C ASP A 6 -5.077 9.301 1.723 1.00 0.00 C ATOM 82 O ASP A 6 -6.132 8.814 1.302 1.00 0.00 O ATOM 83 CB ASP A 6 -4.916 11.259 3.317 1.00 0.00 C ATOM 84 CG ASP A 6 -5.986 11.978 2.473 1.00 0.00 C ATOM 85 OD1 ASP A 6 -7.189 11.884 2.803 1.00 0.00 O ATOM 86 OD2 ASP A 6 -5.628 12.640 1.469 1.00 0.00 O ATOM 0 H ASP A 6 -3.107 9.865 4.246 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.782 9.312 3.747 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -5.054 11.531 4.363 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -3.933 11.624 3.020 1.00 0.00 H new ATOM 91 N ARG A 7 -3.982 9.455 0.974 1.00 0.00 N ATOM 92 CA ARG A 7 -3.958 9.178 -0.467 1.00 0.00 C ATOM 93 C ARG A 7 -4.030 7.664 -0.763 1.00 0.00 C ATOM 94 O ARG A 7 -4.800 7.251 -1.629 1.00 0.00 O ATOM 95 CB ARG A 7 -2.714 9.830 -1.115 1.00 0.00 C ATOM 96 CG ARG A 7 -2.701 11.373 -1.036 1.00 0.00 C ATOM 97 CD ARG A 7 -3.923 12.003 -1.731 1.00 0.00 C ATOM 98 NE ARG A 7 -3.916 13.480 -1.688 1.00 0.00 N ATOM 99 CZ ARG A 7 -3.581 14.291 -2.705 1.00 0.00 C ATOM 100 NH1 ARG A 7 -3.105 13.799 -3.849 1.00 0.00 N ATOM 101 NH2 ARG A 7 -3.740 15.602 -2.575 1.00 0.00 N ATOM 0 H ARG A 7 -3.088 9.775 1.347 1.00 0.00 H new ATOM 0 HA ARG A 7 -4.848 9.622 -0.913 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.819 9.444 -0.628 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.662 9.529 -2.161 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -2.681 11.681 0.009 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.788 11.751 -1.497 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -3.951 11.676 -2.770 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -4.833 11.636 -1.256 1.00 0.00 H new ATOM 0 HE ARG A 7 -4.189 13.922 -0.810 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -2.990 12.792 -3.962 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -2.856 14.430 -4.611 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -4.114 15.987 -1.708 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -3.488 16.225 -3.342 1.00 0.00 H new ATOM 115 N VAL A 8 -3.263 6.846 -0.012 1.00 0.00 N ATOM 116 CA VAL A 8 -3.295 5.366 -0.144 1.00 0.00 C ATOM 117 C VAL A 8 -4.692 4.808 0.219 1.00 0.00 C ATOM 118 O VAL A 8 -5.214 3.928 -0.462 1.00 0.00 O ATOM 119 CB VAL A 8 -2.204 4.675 0.766 1.00 0.00 C ATOM 120 CG1 VAL A 8 -2.318 3.128 0.719 1.00 0.00 C ATOM 121 CG2 VAL A 8 -0.785 5.127 0.366 1.00 0.00 C ATOM 0 H VAL A 8 -2.610 7.183 0.696 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.074 5.137 -1.186 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.389 4.991 1.793 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.552 2.687 1.357 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.303 2.825 1.073 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.179 2.784 -0.306 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.053 4.637 1.008 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.596 4.856 -0.673 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.702 6.208 0.480 1.00 0.00 H new ATOM 131 N ALA A 9 -5.282 5.371 1.280 1.00 0.00 N ATOM 132 CA ALA A 9 -6.599 4.961 1.817 1.00 0.00 C ATOM 133 C ALA A 9 -7.709 5.258 0.802 1.00 0.00 C ATOM 134 O ALA A 9 -8.649 4.480 0.652 1.00 0.00 O ATOM 135 CB ALA A 9 -6.890 5.687 3.143 1.00 0.00 C ATOM 0 H ALA A 9 -4.857 6.137 1.803 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.572 3.887 2.003 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -7.862 5.374 3.524 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.118 5.438 3.871 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.896 6.764 2.974 1.00 0.00 H new ATOM 141 N THR A 10 -7.582 6.429 0.145 1.00 0.00 N ATOM 142 CA THR A 10 -8.425 6.850 -0.990 1.00 0.00 C ATOM 143 C THR A 10 -8.376 5.811 -2.123 1.00 0.00 C ATOM 144 O THR A 10 -9.414 5.359 -2.608 1.00 0.00 O ATOM 145 CB THR A 10 -7.947 8.251 -1.514 1.00 0.00 C ATOM 146 OG1 THR A 10 -8.273 9.264 -0.552 1.00 0.00 O ATOM 147 CG2 THR A 10 -8.521 8.635 -2.892 1.00 0.00 C ATOM 0 H THR A 10 -6.876 7.122 0.395 1.00 0.00 H new ATOM 0 HA THR A 10 -9.457 6.928 -0.648 1.00 0.00 H new ATOM 0 HB THR A 10 -6.868 8.176 -1.646 1.00 0.00 H new ATOM 0 HG1 THR A 10 -7.618 9.246 0.177 1.00 0.00 H new ATOM 0 HG21 THR A 10 -8.143 9.615 -3.183 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.217 7.895 -3.632 1.00 0.00 H new ATOM 0 HG23 THR A 10 -9.609 8.667 -2.837 1.00 0.00 H new ATOM 155 N ILE A 11 -7.148 5.417 -2.478 1.00 0.00 N ATOM 156 CA ILE A 11 -6.884 4.469 -3.569 1.00 0.00 C ATOM 157 C ILE A 11 -7.515 3.095 -3.275 1.00 0.00 C ATOM 158 O ILE A 11 -8.201 2.540 -4.131 1.00 0.00 O ATOM 159 CB ILE A 11 -5.332 4.374 -3.809 1.00 0.00 C ATOM 160 CG1 ILE A 11 -4.820 5.738 -4.381 1.00 0.00 C ATOM 161 CG2 ILE A 11 -4.941 3.184 -4.721 1.00 0.00 C ATOM 162 CD1 ILE A 11 -3.327 5.957 -4.310 1.00 0.00 C ATOM 0 H ILE A 11 -6.303 5.749 -2.014 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.350 4.830 -4.486 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.847 4.179 -2.853 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.131 5.814 -5.423 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.314 6.546 -3.841 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.859 3.167 -4.853 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.266 2.251 -4.261 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.423 3.296 -5.692 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.082 6.931 -4.733 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.003 5.921 -3.270 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.818 5.177 -4.876 1.00 0.00 H new ATOM 174 N ILE A 12 -7.321 2.598 -2.047 1.00 0.00 N ATOM 175 CA ILE A 12 -7.891 1.321 -1.576 1.00 0.00 C ATOM 176 C ILE A 12 -9.437 1.372 -1.583 1.00 0.00 C ATOM 177 O ILE A 12 -10.100 0.411 -2.008 1.00 0.00 O ATOM 178 CB ILE A 12 -7.352 0.992 -0.133 1.00 0.00 C ATOM 179 CG1 ILE A 12 -5.822 0.687 -0.195 1.00 0.00 C ATOM 180 CG2 ILE A 12 -8.137 -0.161 0.547 1.00 0.00 C ATOM 181 CD1 ILE A 12 -5.155 0.432 1.144 1.00 0.00 C ATOM 0 H ILE A 12 -6.758 3.073 -1.342 1.00 0.00 H new ATOM 0 HA ILE A 12 -7.580 0.529 -2.257 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.511 1.871 0.491 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.668 -0.185 -0.831 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.321 1.526 -0.678 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.724 -0.347 1.539 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.187 0.117 0.637 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.052 -1.065 -0.056 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.095 0.231 0.990 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -5.269 1.310 1.780 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.621 -0.428 1.625 1.00 0.00 H new ATOM 193 N ALA A 13 -9.981 2.512 -1.123 1.00 0.00 N ATOM 194 CA ALA A 13 -11.431 2.766 -1.052 1.00 0.00 C ATOM 195 C ALA A 13 -12.102 2.646 -2.428 1.00 0.00 C ATOM 196 O ALA A 13 -13.136 1.995 -2.568 1.00 0.00 O ATOM 197 CB ALA A 13 -11.692 4.162 -0.462 1.00 0.00 C ATOM 0 H ALA A 13 -9.419 3.293 -0.786 1.00 0.00 H new ATOM 0 HA ALA A 13 -11.867 2.006 -0.404 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.766 4.341 -0.413 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.269 4.218 0.541 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.226 4.917 -1.095 1.00 0.00 H new ATOM 203 N GLU A 14 -11.493 3.294 -3.429 1.00 0.00 N ATOM 204 CA GLU A 14 -11.984 3.295 -4.818 1.00 0.00 C ATOM 205 C GLU A 14 -11.797 1.915 -5.486 1.00 0.00 C ATOM 206 O GLU A 14 -12.710 1.416 -6.147 1.00 0.00 O ATOM 207 CB GLU A 14 -11.241 4.391 -5.622 1.00 0.00 C ATOM 208 CG GLU A 14 -11.384 5.815 -5.044 1.00 0.00 C ATOM 209 CD GLU A 14 -10.434 6.832 -5.701 1.00 0.00 C ATOM 210 OE1 GLU A 14 -9.208 6.582 -5.711 1.00 0.00 O ATOM 211 OE2 GLU A 14 -10.899 7.882 -6.204 1.00 0.00 O ATOM 0 H GLU A 14 -10.639 3.837 -3.300 1.00 0.00 H new ATOM 0 HA GLU A 14 -13.053 3.509 -4.808 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -10.182 4.136 -5.668 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.614 4.389 -6.646 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -12.413 6.152 -5.174 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.191 5.786 -3.972 1.00 0.00 H new ATOM 218 N THR A 15 -10.614 1.298 -5.269 1.00 0.00 N ATOM 219 CA THR A 15 -10.227 0.028 -5.921 1.00 0.00 C ATOM 220 C THR A 15 -11.124 -1.140 -5.477 1.00 0.00 C ATOM 221 O THR A 15 -11.875 -1.704 -6.284 1.00 0.00 O ATOM 222 CB THR A 15 -8.723 -0.332 -5.619 1.00 0.00 C ATOM 223 OG1 THR A 15 -7.863 0.725 -6.076 1.00 0.00 O ATOM 224 CG2 THR A 15 -8.280 -1.657 -6.268 1.00 0.00 C ATOM 0 H THR A 15 -9.902 1.666 -4.638 1.00 0.00 H new ATOM 0 HA THR A 15 -10.355 0.178 -6.993 1.00 0.00 H new ATOM 0 HB THR A 15 -8.643 -0.452 -4.539 1.00 0.00 H new ATOM 0 HG1 THR A 15 -7.820 1.429 -5.396 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.235 -1.850 -6.024 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.898 -2.472 -5.890 1.00 0.00 H new ATOM 0 HG23 THR A 15 -8.393 -1.588 -7.350 1.00 0.00 H new ATOM 232 N CYS A 16 -11.066 -1.455 -4.178 1.00 0.00 N ATOM 233 CA CYS A 16 -11.669 -2.665 -3.608 1.00 0.00 C ATOM 234 C CYS A 16 -13.104 -2.399 -3.098 1.00 0.00 C ATOM 235 O CYS A 16 -13.777 -3.326 -2.629 1.00 0.00 O ATOM 236 CB CYS A 16 -10.756 -3.177 -2.466 1.00 0.00 C ATOM 237 SG CYS A 16 -10.930 -4.936 -2.089 1.00 0.00 S ATOM 0 H CYS A 16 -10.595 -0.872 -3.487 1.00 0.00 H new ATOM 0 HA CYS A 16 -11.751 -3.426 -4.384 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -9.718 -2.978 -2.732 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -10.969 -2.603 -1.564 1.00 0.00 H new ATOM 0 HG CYS A 16 -9.966 -5.599 -2.656 1.00 0.00 H new ATOM 243 N ASP A 17 -13.558 -1.125 -3.222 1.00 0.00 N ATOM 244 CA ASP A 17 -14.853 -0.640 -2.706 1.00 0.00 C ATOM 245 C ASP A 17 -14.954 -0.857 -1.178 1.00 0.00 C ATOM 246 O ASP A 17 -15.555 -1.831 -0.704 1.00 0.00 O ATOM 247 CB ASP A 17 -16.054 -1.256 -3.479 1.00 0.00 C ATOM 248 CG ASP A 17 -17.409 -0.648 -3.064 1.00 0.00 C ATOM 249 OD1 ASP A 17 -17.628 0.557 -3.314 1.00 0.00 O ATOM 250 OD2 ASP A 17 -18.251 -1.358 -2.474 1.00 0.00 O ATOM 0 H ASP A 17 -13.020 -0.397 -3.693 1.00 0.00 H new ATOM 0 HA ASP A 17 -14.903 0.435 -2.882 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -15.907 -1.106 -4.549 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -16.076 -2.332 -3.308 1.00 0.00 H new ATOM 255 N ILE A 18 -14.281 0.032 -0.418 1.00 0.00 N ATOM 256 CA ILE A 18 -14.217 -0.014 1.066 1.00 0.00 C ATOM 257 C ILE A 18 -14.422 1.426 1.622 1.00 0.00 C ATOM 258 O ILE A 18 -13.800 2.359 1.107 1.00 0.00 O ATOM 259 CB ILE A 18 -12.827 -0.591 1.580 1.00 0.00 C ATOM 260 CG1 ILE A 18 -12.504 -1.977 0.925 1.00 0.00 C ATOM 261 CG2 ILE A 18 -12.797 -0.696 3.134 1.00 0.00 C ATOM 262 CD1 ILE A 18 -11.152 -2.560 1.299 1.00 0.00 C ATOM 0 H ILE A 18 -13.760 0.812 -0.818 1.00 0.00 H new ATOM 0 HA ILE A 18 -15.002 -0.680 1.424 1.00 0.00 H new ATOM 0 HB ILE A 18 -12.053 0.113 1.274 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -13.281 -2.687 1.209 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -12.550 -1.870 -0.159 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -11.834 -1.094 3.453 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -12.943 0.293 3.568 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -13.593 -1.361 3.469 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -11.018 -3.519 0.798 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -10.362 -1.875 0.989 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -11.104 -2.705 2.378 1.00 0.00 H new ATOM 274 N PRO A 19 -15.313 1.649 2.650 1.00 0.00 N ATOM 275 CA PRO A 19 -15.450 2.972 3.320 1.00 0.00 C ATOM 276 C PRO A 19 -14.172 3.343 4.108 1.00 0.00 C ATOM 277 O PRO A 19 -13.616 2.502 4.815 1.00 0.00 O ATOM 278 CB PRO A 19 -16.675 2.776 4.260 1.00 0.00 C ATOM 279 CG PRO A 19 -16.752 1.295 4.490 1.00 0.00 C ATOM 280 CD PRO A 19 -16.272 0.653 3.207 1.00 0.00 C ATOM 0 HA PRO A 19 -15.589 3.793 2.617 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -16.543 3.315 5.198 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -17.589 3.153 3.801 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -16.129 0.997 5.333 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -17.772 0.988 4.723 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.789 -0.306 3.395 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -17.097 0.465 2.520 1.00 0.00 H new ATOM 288 N ARG A 20 -13.712 4.608 3.982 1.00 0.00 N ATOM 289 CA ARG A 20 -12.485 5.082 4.663 1.00 0.00 C ATOM 290 C ARG A 20 -12.695 5.240 6.173 1.00 0.00 C ATOM 291 O ARG A 20 -11.737 5.187 6.941 1.00 0.00 O ATOM 292 CB ARG A 20 -11.952 6.400 4.045 1.00 0.00 C ATOM 293 CG ARG A 20 -11.565 6.287 2.550 1.00 0.00 C ATOM 294 CD ARG A 20 -10.448 7.255 2.139 1.00 0.00 C ATOM 295 NE ARG A 20 -10.734 8.654 2.490 1.00 0.00 N ATOM 296 CZ ARG A 20 -9.801 9.604 2.672 1.00 0.00 C ATOM 297 NH1 ARG A 20 -8.512 9.290 2.660 1.00 0.00 N ATOM 298 NH2 ARG A 20 -10.156 10.849 2.919 1.00 0.00 N ATOM 0 H ARG A 20 -14.172 5.320 3.415 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.729 4.312 4.509 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -12.712 7.173 4.155 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -11.080 6.727 4.611 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -11.247 5.266 2.340 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.446 6.479 1.938 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -9.518 6.950 2.618 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.291 7.182 1.063 1.00 0.00 H new ATOM 0 HE ARG A 20 -11.711 8.923 2.604 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.224 8.323 2.512 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.809 10.016 2.799 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.144 11.096 2.973 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.443 11.565 3.056 1.00 0.00 H new ATOM 312 N GLU A 21 -13.960 5.403 6.587 1.00 0.00 N ATOM 313 CA GLU A 21 -14.343 5.453 8.011 1.00 0.00 C ATOM 314 C GLU A 21 -14.083 4.101 8.721 1.00 0.00 C ATOM 315 O GLU A 21 -14.097 4.037 9.955 1.00 0.00 O ATOM 316 CB GLU A 21 -15.828 5.879 8.139 1.00 0.00 C ATOM 317 CG GLU A 21 -16.828 4.938 7.442 1.00 0.00 C ATOM 318 CD GLU A 21 -18.277 5.441 7.529 1.00 0.00 C ATOM 319 OE1 GLU A 21 -18.976 5.112 8.516 1.00 0.00 O ATOM 320 OE2 GLU A 21 -18.722 6.175 6.616 1.00 0.00 O ATOM 0 H GLU A 21 -14.748 5.504 5.947 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.720 6.195 8.509 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -16.084 5.941 9.197 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -15.942 6.880 7.724 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -16.548 4.829 6.394 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -16.764 3.948 7.894 1.00 0.00 H new ATOM 327 N THR A 22 -13.866 3.023 7.934 1.00 0.00 N ATOM 328 CA THR A 22 -13.447 1.709 8.466 1.00 0.00 C ATOM 329 C THR A 22 -11.950 1.451 8.162 1.00 0.00 C ATOM 330 O THR A 22 -11.319 0.603 8.806 1.00 0.00 O ATOM 331 CB THR A 22 -14.321 0.544 7.889 1.00 0.00 C ATOM 332 OG1 THR A 22 -14.067 0.372 6.486 1.00 0.00 O ATOM 333 CG2 THR A 22 -15.827 0.788 8.108 1.00 0.00 C ATOM 0 H THR A 22 -13.976 3.040 6.920 1.00 0.00 H new ATOM 0 HA THR A 22 -13.593 1.734 9.546 1.00 0.00 H new ATOM 0 HB THR A 22 -14.041 -0.361 8.429 1.00 0.00 H new ATOM 0 HG1 THR A 22 -13.934 1.248 6.068 1.00 0.00 H new ATOM 0 HG21 THR A 22 -16.395 -0.045 7.692 1.00 0.00 H new ATOM 0 HG22 THR A 22 -16.031 0.869 9.176 1.00 0.00 H new ATOM 0 HG23 THR A 22 -16.122 1.712 7.611 1.00 0.00 H new ATOM 341 N ILE A 23 -11.387 2.196 7.179 1.00 0.00 N ATOM 342 CA ILE A 23 -9.959 2.117 6.814 1.00 0.00 C ATOM 343 C ILE A 23 -9.131 2.900 7.856 1.00 0.00 C ATOM 344 O ILE A 23 -9.172 4.141 7.901 1.00 0.00 O ATOM 345 CB ILE A 23 -9.692 2.697 5.365 1.00 0.00 C ATOM 346 CG1 ILE A 23 -10.412 1.844 4.271 1.00 0.00 C ATOM 347 CG2 ILE A 23 -8.183 2.810 5.061 1.00 0.00 C ATOM 348 CD1 ILE A 23 -10.310 2.400 2.851 1.00 0.00 C ATOM 0 H ILE A 23 -11.914 2.867 6.620 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.662 1.068 6.806 1.00 0.00 H new ATOM 0 HB ILE A 23 -10.110 3.703 5.343 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.994 0.837 4.282 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.466 1.755 4.536 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.043 3.212 4.058 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.714 3.475 5.787 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.724 1.823 5.124 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -10.839 1.741 2.163 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.756 3.394 2.817 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.262 2.463 2.559 1.00 0.00 H new ATOM 360 N THR A 24 -8.427 2.162 8.714 1.00 0.00 N ATOM 361 CA THR A 24 -7.530 2.726 9.739 1.00 0.00 C ATOM 362 C THR A 24 -6.074 2.385 9.389 1.00 0.00 C ATOM 363 O THR A 24 -5.835 1.384 8.715 1.00 0.00 O ATOM 364 CB THR A 24 -7.884 2.163 11.155 1.00 0.00 C ATOM 365 OG1 THR A 24 -7.792 0.728 11.156 1.00 0.00 O ATOM 366 CG2 THR A 24 -9.291 2.585 11.593 1.00 0.00 C ATOM 0 H THR A 24 -8.460 1.143 8.722 1.00 0.00 H new ATOM 0 HA THR A 24 -7.657 3.808 9.759 1.00 0.00 H new ATOM 0 HB THR A 24 -7.166 2.578 11.863 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.014 0.387 12.047 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.503 2.176 12.581 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.349 3.673 11.631 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.023 2.207 10.879 1.00 0.00 H new ATOM 374 N PRO A 25 -5.064 3.193 9.847 1.00 0.00 N ATOM 375 CA PRO A 25 -3.635 2.862 9.648 1.00 0.00 C ATOM 376 C PRO A 25 -3.243 1.560 10.394 1.00 0.00 C ATOM 377 O PRO A 25 -2.302 0.867 10.013 1.00 0.00 O ATOM 378 CB PRO A 25 -2.897 4.118 10.197 1.00 0.00 C ATOM 379 CG PRO A 25 -3.863 4.744 11.153 1.00 0.00 C ATOM 380 CD PRO A 25 -5.229 4.488 10.569 1.00 0.00 C ATOM 0 HA PRO A 25 -3.379 2.657 8.609 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -1.968 3.844 10.697 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.635 4.806 9.393 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -3.772 4.305 12.147 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.675 5.812 11.258 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.991 4.420 11.346 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -5.533 5.288 9.894 1.00 0.00 H new ATOM 388 N GLU A 26 -4.033 1.220 11.430 1.00 0.00 N ATOM 389 CA GLU A 26 -3.827 0.015 12.262 1.00 0.00 C ATOM 390 C GLU A 26 -4.386 -1.252 11.570 1.00 0.00 C ATOM 391 O GLU A 26 -4.033 -2.377 11.944 1.00 0.00 O ATOM 392 CB GLU A 26 -4.491 0.227 13.649 1.00 0.00 C ATOM 393 CG GLU A 26 -4.051 1.511 14.387 1.00 0.00 C ATOM 394 CD GLU A 26 -2.523 1.632 14.559 1.00 0.00 C ATOM 395 OE1 GLU A 26 -1.948 0.922 15.419 1.00 0.00 O ATOM 396 OE2 GLU A 26 -1.889 2.434 13.843 1.00 0.00 O ATOM 0 H GLU A 26 -4.838 1.776 11.717 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.756 -0.138 12.396 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.573 0.252 13.518 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.266 -0.633 14.279 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.416 2.379 13.838 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.522 1.535 15.370 1.00 0.00 H new ATOM 403 N SER A 27 -5.259 -1.046 10.566 1.00 0.00 N ATOM 404 CA SER A 27 -5.838 -2.126 9.743 1.00 0.00 C ATOM 405 C SER A 27 -4.793 -2.679 8.756 1.00 0.00 C ATOM 406 O SER A 27 -3.869 -1.962 8.354 1.00 0.00 O ATOM 407 CB SER A 27 -7.074 -1.588 8.974 1.00 0.00 C ATOM 408 OG SER A 27 -7.630 -2.551 8.098 1.00 0.00 O ATOM 0 H SER A 27 -5.586 -0.117 10.300 1.00 0.00 H new ATOM 0 HA SER A 27 -6.148 -2.940 10.398 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.833 -1.271 9.689 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.786 -0.705 8.403 1.00 0.00 H new ATOM 0 HG SER A 27 -8.405 -2.166 7.639 1.00 0.00 H new ATOM 414 N HIS A 28 -4.935 -3.962 8.408 1.00 0.00 N ATOM 415 CA HIS A 28 -4.112 -4.657 7.408 1.00 0.00 C ATOM 416 C HIS A 28 -4.953 -4.902 6.145 1.00 0.00 C ATOM 417 O HIS A 28 -6.119 -5.313 6.250 1.00 0.00 O ATOM 418 CB HIS A 28 -3.629 -5.999 8.007 1.00 0.00 C ATOM 419 CG HIS A 28 -2.633 -6.793 7.178 1.00 0.00 C ATOM 420 ND1 HIS A 28 -2.996 -7.433 6.024 1.00 0.00 N ATOM 421 CD2 HIS A 28 -1.337 -7.089 7.438 1.00 0.00 C ATOM 422 CE1 HIS A 28 -1.927 -8.102 5.632 1.00 0.00 C ATOM 423 NE2 HIS A 28 -0.900 -7.925 6.458 1.00 0.00 N ATOM 0 H HIS A 28 -5.645 -4.564 8.825 1.00 0.00 H new ATOM 0 HA HIS A 28 -3.245 -4.053 7.140 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -3.179 -5.796 8.979 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -4.502 -6.627 8.185 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -0.756 -6.727 8.273 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -1.891 -8.719 4.746 1.00 0.00 H new ATOM 0 HE2 HIS A 28 0.030 -8.335 6.374 1.00 0.00 H new ATOM 431 N ALA A 29 -4.368 -4.616 4.962 1.00 0.00 N ATOM 432 CA ALA A 29 -5.012 -4.838 3.648 1.00 0.00 C ATOM 433 C ALA A 29 -5.610 -6.257 3.510 1.00 0.00 C ATOM 434 O ALA A 29 -6.803 -6.403 3.247 1.00 0.00 O ATOM 435 CB ALA A 29 -4.010 -4.558 2.514 1.00 0.00 C ATOM 0 H ALA A 29 -3.430 -4.222 4.891 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.846 -4.140 3.574 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.494 -4.724 1.552 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.670 -3.524 2.576 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.155 -5.227 2.611 1.00 0.00 H new ATOM 441 N ILE A 30 -4.790 -7.293 3.725 1.00 0.00 N ATOM 442 CA ILE A 30 -5.222 -8.693 3.527 1.00 0.00 C ATOM 443 C ILE A 30 -6.105 -9.171 4.704 1.00 0.00 C ATOM 444 O ILE A 30 -7.239 -9.613 4.490 1.00 0.00 O ATOM 445 CB ILE A 30 -3.994 -9.665 3.328 1.00 0.00 C ATOM 446 CG1 ILE A 30 -3.071 -9.159 2.169 1.00 0.00 C ATOM 447 CG2 ILE A 30 -4.451 -11.122 3.071 1.00 0.00 C ATOM 448 CD1 ILE A 30 -1.824 -10.006 1.928 1.00 0.00 C ATOM 0 H ILE A 30 -3.824 -7.194 4.036 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.816 -8.719 2.613 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.420 -9.663 4.255 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.653 -9.125 1.248 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.762 -8.137 2.389 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.577 -11.760 2.939 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.033 -11.476 3.922 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.065 -11.157 2.171 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.247 -9.579 1.108 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.214 -10.021 2.831 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.119 -11.024 1.673 1.00 0.00 H new ATOM 460 N ASP A 31 -5.593 -9.035 5.947 1.00 0.00 N ATOM 461 CA ASP A 31 -6.247 -9.598 7.160 1.00 0.00 C ATOM 462 C ASP A 31 -7.606 -8.933 7.459 1.00 0.00 C ATOM 463 O ASP A 31 -8.621 -9.626 7.613 1.00 0.00 O ATOM 464 CB ASP A 31 -5.319 -9.486 8.404 1.00 0.00 C ATOM 465 CG ASP A 31 -4.080 -10.392 8.318 1.00 0.00 C ATOM 466 OD1 ASP A 31 -4.221 -11.623 8.453 1.00 0.00 O ATOM 467 OD2 ASP A 31 -2.960 -9.889 8.124 1.00 0.00 O ATOM 0 H ASP A 31 -4.724 -8.538 6.142 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.432 -10.651 6.947 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.997 -8.451 8.517 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -5.888 -9.743 9.298 1.00 0.00 H new ATOM 472 N ASP A 32 -7.621 -7.594 7.535 1.00 0.00 N ATOM 473 CA ASP A 32 -8.823 -6.828 7.936 1.00 0.00 C ATOM 474 C ASP A 32 -9.686 -6.484 6.722 1.00 0.00 C ATOM 475 O ASP A 32 -10.847 -6.895 6.646 1.00 0.00 O ATOM 476 CB ASP A 32 -8.424 -5.541 8.697 1.00 0.00 C ATOM 477 CG ASP A 32 -7.725 -5.847 10.023 1.00 0.00 C ATOM 478 OD1 ASP A 32 -6.495 -6.037 10.026 1.00 0.00 O ATOM 479 OD2 ASP A 32 -8.408 -5.939 11.062 1.00 0.00 O ATOM 0 H ASP A 32 -6.811 -7.011 7.324 1.00 0.00 H new ATOM 0 HA ASP A 32 -9.412 -7.457 8.604 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.764 -4.940 8.071 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.315 -4.943 8.887 1.00 0.00 H new ATOM 484 N LEU A 33 -9.105 -5.745 5.764 1.00 0.00 N ATOM 485 CA LEU A 33 -9.841 -5.230 4.592 1.00 0.00 C ATOM 486 C LEU A 33 -10.281 -6.361 3.630 1.00 0.00 C ATOM 487 O LEU A 33 -11.208 -6.164 2.836 1.00 0.00 O ATOM 488 CB LEU A 33 -8.992 -4.179 3.840 1.00 0.00 C ATOM 489 CG LEU A 33 -8.557 -2.919 4.650 1.00 0.00 C ATOM 490 CD1 LEU A 33 -7.702 -1.984 3.774 1.00 0.00 C ATOM 491 CD2 LEU A 33 -9.777 -2.175 5.244 1.00 0.00 C ATOM 0 H LEU A 33 -8.118 -5.487 5.777 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.748 -4.755 4.965 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.093 -4.671 3.468 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.557 -3.845 2.969 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.947 -3.253 5.489 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.407 -1.110 4.355 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.811 -2.514 3.438 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.282 -1.665 2.908 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.435 -1.303 5.801 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.436 -1.855 4.437 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.320 -2.843 5.912 1.00 0.00 H new ATOM 503 N GLY A 34 -9.602 -7.527 3.706 1.00 0.00 N ATOM 504 CA GLY A 34 -9.961 -8.711 2.897 1.00 0.00 C ATOM 505 C GLY A 34 -9.455 -8.640 1.460 1.00 0.00 C ATOM 506 O GLY A 34 -9.985 -9.311 0.561 1.00 0.00 O ATOM 0 H GLY A 34 -8.801 -7.673 4.321 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.555 -9.604 3.373 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.046 -8.820 2.887 1.00 0.00 H new ATOM 510 N ILE A 35 -8.424 -7.818 1.253 1.00 0.00 N ATOM 511 CA ILE A 35 -7.805 -7.594 -0.058 1.00 0.00 C ATOM 512 C ILE A 35 -6.828 -8.731 -0.378 1.00 0.00 C ATOM 513 O ILE A 35 -5.973 -9.073 0.441 1.00 0.00 O ATOM 514 CB ILE A 35 -7.049 -6.213 -0.080 1.00 0.00 C ATOM 515 CG1 ILE A 35 -8.042 -5.046 0.227 1.00 0.00 C ATOM 516 CG2 ILE A 35 -6.307 -5.976 -1.424 1.00 0.00 C ATOM 517 CD1 ILE A 35 -7.387 -3.691 0.406 1.00 0.00 C ATOM 0 H ILE A 35 -7.988 -7.280 2.002 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.589 -7.574 -0.815 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.289 -6.240 0.701 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.767 -4.980 -0.584 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.598 -5.288 1.132 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.800 -5.012 -1.394 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.574 -6.767 -1.579 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.026 -5.982 -2.243 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.151 -2.942 0.615 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.684 -3.734 1.237 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.855 -3.421 -0.506 1.00 0.00 H new ATOM 529 N ASP A 36 -6.965 -9.303 -1.574 1.00 0.00 N ATOM 530 CA ASP A 36 -6.054 -10.336 -2.079 1.00 0.00 C ATOM 531 C ASP A 36 -4.899 -9.662 -2.822 1.00 0.00 C ATOM 532 O ASP A 36 -5.026 -8.509 -3.257 1.00 0.00 O ATOM 533 CB ASP A 36 -6.793 -11.301 -3.035 1.00 0.00 C ATOM 534 CG ASP A 36 -8.033 -11.942 -2.399 1.00 0.00 C ATOM 535 OD1 ASP A 36 -7.881 -12.923 -1.631 1.00 0.00 O ATOM 536 OD2 ASP A 36 -9.169 -11.470 -2.660 1.00 0.00 O ATOM 0 H ASP A 36 -7.713 -9.064 -2.224 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.673 -10.913 -1.237 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.091 -10.758 -3.932 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.107 -12.086 -3.352 1.00 0.00 H new ATOM 541 N SER A 37 -3.787 -10.388 -2.994 1.00 0.00 N ATOM 542 CA SER A 37 -2.615 -9.908 -3.751 1.00 0.00 C ATOM 543 C SER A 37 -2.959 -9.560 -5.223 1.00 0.00 C ATOM 544 O SER A 37 -2.229 -8.803 -5.861 1.00 0.00 O ATOM 545 CB SER A 37 -1.506 -10.974 -3.694 1.00 0.00 C ATOM 546 OG SER A 37 -1.137 -11.259 -2.348 1.00 0.00 O ATOM 0 H SER A 37 -3.671 -11.327 -2.613 1.00 0.00 H new ATOM 0 HA SER A 37 -2.271 -8.984 -3.287 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.849 -11.887 -4.181 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.634 -10.626 -4.247 1.00 0.00 H new ATOM 0 HG SER A 37 -0.432 -11.940 -2.339 1.00 0.00 H new ATOM 552 N LEU A 38 -4.097 -10.085 -5.733 1.00 0.00 N ATOM 553 CA LEU A 38 -4.568 -9.837 -7.112 1.00 0.00 C ATOM 554 C LEU A 38 -5.198 -8.438 -7.233 1.00 0.00 C ATOM 555 O LEU A 38 -4.964 -7.719 -8.210 1.00 0.00 O ATOM 556 CB LEU A 38 -5.582 -10.936 -7.526 1.00 0.00 C ATOM 557 CG LEU A 38 -5.031 -12.400 -7.540 1.00 0.00 C ATOM 558 CD1 LEU A 38 -6.134 -13.411 -7.932 1.00 0.00 C ATOM 559 CD2 LEU A 38 -3.797 -12.520 -8.467 1.00 0.00 C ATOM 0 H LEU A 38 -4.715 -10.694 -5.197 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.713 -9.875 -7.787 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.432 -10.894 -6.845 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.959 -10.700 -8.521 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.709 -12.646 -6.528 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.720 -14.419 -7.933 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.951 -13.355 -7.213 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.509 -13.172 -8.927 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.434 -13.548 -8.458 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.077 -12.243 -9.483 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.010 -11.854 -8.113 1.00 0.00 H new ATOM 571 N ASP A 39 -5.997 -8.063 -6.223 1.00 0.00 N ATOM 572 CA ASP A 39 -6.610 -6.717 -6.137 1.00 0.00 C ATOM 573 C ASP A 39 -5.550 -5.675 -5.756 1.00 0.00 C ATOM 574 O ASP A 39 -5.610 -4.520 -6.192 1.00 0.00 O ATOM 575 CB ASP A 39 -7.757 -6.704 -5.097 1.00 0.00 C ATOM 576 CG ASP A 39 -8.450 -5.332 -4.988 1.00 0.00 C ATOM 577 OD1 ASP A 39 -9.237 -4.989 -5.901 1.00 0.00 O ATOM 578 OD2 ASP A 39 -8.211 -4.599 -4.002 1.00 0.00 O ATOM 0 H ASP A 39 -6.239 -8.676 -5.444 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.022 -6.466 -7.114 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.496 -7.458 -5.368 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.360 -6.984 -4.121 1.00 0.00 H new ATOM 583 N PHE A 40 -4.571 -6.114 -4.948 1.00 0.00 N ATOM 584 CA PHE A 40 -3.476 -5.256 -4.483 1.00 0.00 C ATOM 585 C PHE A 40 -2.551 -4.865 -5.660 1.00 0.00 C ATOM 586 O PHE A 40 -1.832 -3.876 -5.566 1.00 0.00 O ATOM 587 CB PHE A 40 -2.685 -5.928 -3.330 1.00 0.00 C ATOM 588 CG PHE A 40 -1.960 -4.925 -2.426 1.00 0.00 C ATOM 589 CD1 PHE A 40 -0.659 -4.509 -2.704 1.00 0.00 C ATOM 590 CD2 PHE A 40 -2.601 -4.372 -1.318 1.00 0.00 C ATOM 591 CE1 PHE A 40 -0.020 -3.584 -1.898 1.00 0.00 C ATOM 592 CE2 PHE A 40 -1.961 -3.452 -0.512 1.00 0.00 C ATOM 593 CZ PHE A 40 -0.676 -3.051 -0.807 1.00 0.00 C ATOM 0 H PHE A 40 -4.519 -7.072 -4.601 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.909 -4.339 -4.082 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -3.371 -6.521 -2.726 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -1.955 -6.618 -3.753 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -0.142 -4.915 -3.561 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -3.614 -4.668 -1.087 1.00 0.00 H new ATOM 0 HE1 PHE A 40 0.992 -3.279 -2.122 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -2.468 -3.046 0.351 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.182 -2.320 -0.184 1.00 0.00 H new ATOM 603 N LEU A 41 -2.562 -5.666 -6.753 1.00 0.00 N ATOM 604 CA LEU A 41 -1.883 -5.298 -8.018 1.00 0.00 C ATOM 605 C LEU A 41 -2.468 -3.972 -8.562 1.00 0.00 C ATOM 606 O LEU A 41 -1.729 -3.083 -9.003 1.00 0.00 O ATOM 607 CB LEU A 41 -2.045 -6.418 -9.091 1.00 0.00 C ATOM 608 CG LEU A 41 -1.347 -7.782 -8.792 1.00 0.00 C ATOM 609 CD1 LEU A 41 -1.690 -8.839 -9.869 1.00 0.00 C ATOM 610 CD2 LEU A 41 0.181 -7.603 -8.644 1.00 0.00 C ATOM 0 H LEU A 41 -3.033 -6.570 -6.783 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.821 -5.174 -7.808 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.110 -6.604 -9.230 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.661 -6.040 -10.038 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.731 -8.150 -7.841 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.188 -9.777 -9.631 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.768 -9.000 -9.891 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.356 -8.486 -10.845 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.642 -8.569 -8.436 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.591 -7.197 -9.569 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.389 -6.917 -7.823 1.00 0.00 H new ATOM 622 N ASP A 42 -3.809 -3.865 -8.498 1.00 0.00 N ATOM 623 CA ASP A 42 -4.577 -2.697 -8.976 1.00 0.00 C ATOM 624 C ASP A 42 -4.370 -1.486 -8.038 1.00 0.00 C ATOM 625 O ASP A 42 -4.295 -0.339 -8.497 1.00 0.00 O ATOM 626 CB ASP A 42 -6.081 -3.088 -9.085 1.00 0.00 C ATOM 627 CG ASP A 42 -6.930 -2.097 -9.911 1.00 0.00 C ATOM 628 OD1 ASP A 42 -7.341 -1.051 -9.385 1.00 0.00 O ATOM 629 OD2 ASP A 42 -7.194 -2.367 -11.108 1.00 0.00 O ATOM 0 H ASP A 42 -4.399 -4.599 -8.107 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.220 -2.401 -9.962 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -6.157 -4.078 -9.535 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.500 -3.161 -8.082 1.00 0.00 H new ATOM 634 N ILE A 43 -4.254 -1.760 -6.718 1.00 0.00 N ATOM 635 CA ILE A 43 -3.973 -0.720 -5.698 1.00 0.00 C ATOM 636 C ILE A 43 -2.568 -0.127 -5.927 1.00 0.00 C ATOM 637 O ILE A 43 -2.397 1.094 -6.003 1.00 0.00 O ATOM 638 CB ILE A 43 -4.062 -1.306 -4.235 1.00 0.00 C ATOM 639 CG1 ILE A 43 -5.482 -1.894 -3.968 1.00 0.00 C ATOM 640 CG2 ILE A 43 -3.690 -0.244 -3.164 1.00 0.00 C ATOM 641 CD1 ILE A 43 -5.677 -2.486 -2.587 1.00 0.00 C ATOM 0 H ILE A 43 -4.351 -2.699 -6.331 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.727 0.060 -5.801 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.332 -2.112 -4.156 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.220 -1.106 -4.117 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.685 -2.666 -4.710 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.764 -0.687 -2.171 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.670 0.101 -3.333 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.375 0.601 -3.236 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.693 -2.869 -2.495 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.968 -3.300 -2.437 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.510 -1.716 -1.834 1.00 0.00 H new ATOM 653 N ALA A 44 -1.594 -1.038 -6.099 1.00 0.00 N ATOM 654 CA ALA A 44 -0.166 -0.691 -6.269 1.00 0.00 C ATOM 655 C ALA A 44 0.056 0.108 -7.567 1.00 0.00 C ATOM 656 O ALA A 44 0.851 1.049 -7.594 1.00 0.00 O ATOM 657 CB ALA A 44 0.700 -1.962 -6.248 1.00 0.00 C ATOM 0 H ALA A 44 -1.773 -2.042 -6.125 1.00 0.00 H new ATOM 0 HA ALA A 44 0.136 -0.058 -5.435 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.748 -1.690 -6.374 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.570 -2.475 -5.295 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.396 -2.623 -7.060 1.00 0.00 H new ATOM 663 N PHE A 45 -0.714 -0.252 -8.613 1.00 0.00 N ATOM 664 CA PHE A 45 -0.644 0.402 -9.934 1.00 0.00 C ATOM 665 C PHE A 45 -1.158 1.850 -9.867 1.00 0.00 C ATOM 666 O PHE A 45 -0.593 2.752 -10.499 1.00 0.00 O ATOM 667 CB PHE A 45 -1.434 -0.408 -10.992 1.00 0.00 C ATOM 668 CG PHE A 45 -1.336 0.161 -12.413 1.00 0.00 C ATOM 669 CD1 PHE A 45 -0.102 0.245 -13.057 1.00 0.00 C ATOM 670 CD2 PHE A 45 -2.462 0.633 -13.088 1.00 0.00 C ATOM 671 CE1 PHE A 45 -0.001 0.767 -14.331 1.00 0.00 C ATOM 672 CE2 PHE A 45 -2.358 1.156 -14.365 1.00 0.00 C ATOM 673 CZ PHE A 45 -1.127 1.226 -14.984 1.00 0.00 C ATOM 0 H PHE A 45 -1.401 -1.004 -8.565 1.00 0.00 H new ATOM 0 HA PHE A 45 0.403 0.431 -10.234 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.068 -1.435 -10.997 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.483 -0.445 -10.698 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.787 -0.103 -12.552 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.428 0.590 -12.607 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.962 0.816 -14.818 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.241 1.509 -14.877 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.045 1.639 -15.978 1.00 0.00 H new ATOM 683 N ALA A 46 -2.236 2.054 -9.102 1.00 0.00 N ATOM 684 CA ALA A 46 -2.823 3.385 -8.892 1.00 0.00 C ATOM 685 C ALA A 46 -1.893 4.264 -8.037 1.00 0.00 C ATOM 686 O ALA A 46 -1.804 5.468 -8.252 1.00 0.00 O ATOM 687 CB ALA A 46 -4.193 3.255 -8.234 1.00 0.00 C ATOM 0 H ALA A 46 -2.726 1.305 -8.612 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.944 3.867 -9.862 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.620 4.247 -8.083 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.852 2.671 -8.877 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.088 2.754 -7.271 1.00 0.00 H new ATOM 693 N ILE A 47 -1.207 3.625 -7.074 1.00 0.00 N ATOM 694 CA ILE A 47 -0.214 4.280 -6.193 1.00 0.00 C ATOM 695 C ILE A 47 0.990 4.804 -7.014 1.00 0.00 C ATOM 696 O ILE A 47 1.506 5.900 -6.743 1.00 0.00 O ATOM 697 CB ILE A 47 0.236 3.281 -5.050 1.00 0.00 C ATOM 698 CG1 ILE A 47 -0.935 3.091 -4.026 1.00 0.00 C ATOM 699 CG2 ILE A 47 1.539 3.727 -4.338 1.00 0.00 C ATOM 700 CD1 ILE A 47 -0.714 2.021 -2.972 1.00 0.00 C ATOM 0 H ILE A 47 -1.324 2.630 -6.880 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.675 5.146 -5.718 1.00 0.00 H new ATOM 0 HB ILE A 47 0.465 2.324 -5.519 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.112 4.041 -3.522 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.843 2.850 -4.579 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.797 3.003 -3.565 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.349 3.786 -5.065 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.388 4.706 -3.883 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.583 1.972 -2.316 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.571 1.056 -3.458 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.171 2.266 -2.385 1.00 0.00 H new ATOM 712 N ASP A 48 1.406 4.013 -8.024 1.00 0.00 N ATOM 713 CA ASP A 48 2.457 4.412 -8.995 1.00 0.00 C ATOM 714 C ASP A 48 2.078 5.716 -9.716 1.00 0.00 C ATOM 715 O ASP A 48 2.902 6.618 -9.876 1.00 0.00 O ATOM 716 CB ASP A 48 2.687 3.299 -10.061 1.00 0.00 C ATOM 717 CG ASP A 48 3.224 1.982 -9.483 1.00 0.00 C ATOM 718 OD1 ASP A 48 4.220 2.020 -8.744 1.00 0.00 O ATOM 719 OD2 ASP A 48 2.695 0.905 -9.814 1.00 0.00 O ATOM 0 H ASP A 48 1.027 3.081 -8.193 1.00 0.00 H new ATOM 0 HA ASP A 48 3.374 4.565 -8.427 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.746 3.102 -10.574 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.387 3.667 -10.811 1.00 0.00 H new ATOM 724 N LYS A 49 0.801 5.794 -10.126 1.00 0.00 N ATOM 725 CA LYS A 49 0.253 6.915 -10.919 1.00 0.00 C ATOM 726 C LYS A 49 -0.118 8.131 -10.038 1.00 0.00 C ATOM 727 O LYS A 49 -0.119 9.275 -10.516 1.00 0.00 O ATOM 728 CB LYS A 49 -0.995 6.422 -11.704 1.00 0.00 C ATOM 729 CG LYS A 49 -0.710 5.267 -12.687 1.00 0.00 C ATOM 730 CD LYS A 49 -1.962 4.744 -13.440 1.00 0.00 C ATOM 731 CE LYS A 49 -2.547 5.730 -14.483 1.00 0.00 C ATOM 732 NZ LYS A 49 -3.277 6.877 -13.875 1.00 0.00 N ATOM 0 H LYS A 49 0.110 5.074 -9.915 1.00 0.00 H new ATOM 0 HA LYS A 49 1.027 7.248 -11.611 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.754 6.099 -10.991 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.416 7.261 -12.259 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.026 5.601 -13.418 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.260 4.440 -12.137 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.704 3.813 -13.945 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.736 4.507 -12.710 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.736 6.113 -15.103 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.224 5.188 -15.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.157 7.048 -14.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.505 6.658 -12.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.680 7.728 -13.913 1.00 0.00 H new ATOM 746 N ALA A 50 -0.422 7.868 -8.755 1.00 0.00 N ATOM 747 CA ALA A 50 -0.896 8.889 -7.796 1.00 0.00 C ATOM 748 C ALA A 50 0.275 9.708 -7.259 1.00 0.00 C ATOM 749 O ALA A 50 0.320 10.939 -7.386 1.00 0.00 O ATOM 750 CB ALA A 50 -1.631 8.214 -6.621 1.00 0.00 C ATOM 0 H ALA A 50 -0.346 6.935 -8.349 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.583 9.554 -8.319 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.975 8.976 -5.921 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.487 7.656 -7.000 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.951 7.533 -6.110 1.00 0.00 H new ATOM 756 N PHE A 51 1.222 8.989 -6.650 1.00 0.00 N ATOM 757 CA PHE A 51 2.399 9.582 -6.007 1.00 0.00 C ATOM 758 C PHE A 51 3.493 9.896 -7.040 1.00 0.00 C ATOM 759 O PHE A 51 4.273 10.833 -6.854 1.00 0.00 O ATOM 760 CB PHE A 51 2.924 8.626 -4.910 1.00 0.00 C ATOM 761 CG PHE A 51 1.910 8.365 -3.788 1.00 0.00 C ATOM 762 CD1 PHE A 51 1.845 9.199 -2.669 1.00 0.00 C ATOM 763 CD2 PHE A 51 1.021 7.294 -3.854 1.00 0.00 C ATOM 764 CE1 PHE A 51 0.932 8.963 -1.660 1.00 0.00 C ATOM 765 CE2 PHE A 51 0.108 7.061 -2.844 1.00 0.00 C ATOM 766 CZ PHE A 51 0.067 7.894 -1.749 1.00 0.00 C ATOM 0 H PHE A 51 1.194 7.971 -6.589 1.00 0.00 H new ATOM 0 HA PHE A 51 2.112 10.526 -5.544 1.00 0.00 H new ATOM 0 HB2 PHE A 51 3.199 7.676 -5.368 1.00 0.00 H new ATOM 0 HB3 PHE A 51 3.832 9.046 -4.478 1.00 0.00 H new ATOM 0 HD1 PHE A 51 2.518 10.040 -2.592 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.046 6.635 -4.709 1.00 0.00 H new ATOM 0 HE1 PHE A 51 0.896 9.616 -0.801 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.573 6.226 -2.913 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.645 7.709 -0.958 1.00 0.00 H new ATOM 776 N GLY A 52 3.505 9.128 -8.145 1.00 0.00 N ATOM 777 CA GLY A 52 4.544 9.250 -9.171 1.00 0.00 C ATOM 778 C GLY A 52 5.807 8.522 -8.755 1.00 0.00 C ATOM 779 O GLY A 52 6.913 9.056 -8.857 1.00 0.00 O ATOM 0 H GLY A 52 2.803 8.416 -8.346 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.179 8.842 -10.114 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.767 10.303 -9.344 1.00 0.00 H new ATOM 783 N ILE A 53 5.618 7.283 -8.267 1.00 0.00 N ATOM 784 CA ILE A 53 6.691 6.428 -7.710 1.00 0.00 C ATOM 785 C ILE A 53 6.661 5.037 -8.370 1.00 0.00 C ATOM 786 O ILE A 53 5.888 4.795 -9.302 1.00 0.00 O ATOM 787 CB ILE A 53 6.517 6.244 -6.149 1.00 0.00 C ATOM 788 CG1 ILE A 53 5.138 5.574 -5.823 1.00 0.00 C ATOM 789 CG2 ILE A 53 6.679 7.583 -5.394 1.00 0.00 C ATOM 790 CD1 ILE A 53 4.929 5.234 -4.365 1.00 0.00 C ATOM 0 H ILE A 53 4.701 6.837 -8.247 1.00 0.00 H new ATOM 0 HA ILE A 53 7.642 6.920 -7.913 1.00 0.00 H new ATOM 0 HB ILE A 53 7.310 5.582 -5.802 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.340 6.243 -6.144 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.045 4.661 -6.412 1.00 0.00 H new ATOM 0 HG21 ILE A 53 6.553 7.415 -4.324 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.673 7.989 -5.583 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.926 8.290 -5.742 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.949 4.775 -4.235 1.00 0.00 H new ATOM 0 HD12 ILE A 53 5.702 4.538 -4.039 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.986 6.144 -3.767 1.00 0.00 H new ATOM 802 N LYS A 54 7.527 4.143 -7.875 1.00 0.00 N ATOM 803 CA LYS A 54 7.427 2.711 -8.114 1.00 0.00 C ATOM 804 C LYS A 54 7.284 2.020 -6.756 1.00 0.00 C ATOM 805 O LYS A 54 8.224 2.022 -5.959 1.00 0.00 O ATOM 806 CB LYS A 54 8.666 2.161 -8.874 1.00 0.00 C ATOM 807 CG LYS A 54 8.586 0.641 -9.145 1.00 0.00 C ATOM 808 CD LYS A 54 9.862 0.046 -9.774 1.00 0.00 C ATOM 809 CE LYS A 54 9.736 -1.474 -9.961 1.00 0.00 C ATOM 810 NZ LYS A 54 10.963 -2.083 -10.527 1.00 0.00 N ATOM 0 H LYS A 54 8.322 4.404 -7.292 1.00 0.00 H new ATOM 0 HA LYS A 54 6.561 2.511 -8.745 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.766 2.688 -9.823 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.564 2.374 -8.294 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.382 0.126 -8.206 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.742 0.445 -9.806 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.049 0.519 -10.738 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.720 0.267 -9.139 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.515 -1.937 -8.999 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.893 -1.687 -10.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.857 -3.117 -10.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.115 -1.725 -11.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 11.780 -1.834 -9.933 1.00 0.00 H new ATOM 824 N LEU A 55 6.077 1.523 -6.469 1.00 0.00 N ATOM 825 CA LEU A 55 5.834 0.580 -5.382 1.00 0.00 C ATOM 826 C LEU A 55 6.302 -0.803 -5.889 1.00 0.00 C ATOM 827 O LEU A 55 5.630 -1.384 -6.749 1.00 0.00 O ATOM 828 CB LEU A 55 4.311 0.605 -4.997 1.00 0.00 C ATOM 829 CG LEU A 55 3.856 -0.230 -3.738 1.00 0.00 C ATOM 830 CD1 LEU A 55 2.513 0.283 -3.177 1.00 0.00 C ATOM 831 CD2 LEU A 55 3.755 -1.754 -4.016 1.00 0.00 C ATOM 0 H LEU A 55 5.236 1.768 -6.991 1.00 0.00 H new ATOM 0 HA LEU A 55 6.382 0.835 -4.475 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.025 1.644 -4.831 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.742 0.251 -5.857 1.00 0.00 H new ATOM 0 HG LEU A 55 4.640 -0.085 -2.995 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.229 -0.314 -2.311 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.618 1.327 -2.880 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.743 0.199 -3.944 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.438 -2.269 -3.109 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.028 -1.932 -4.808 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.729 -2.133 -4.326 1.00 0.00 H new ATOM 843 N PRO A 56 7.462 -1.355 -5.396 1.00 0.00 N ATOM 844 CA PRO A 56 7.960 -2.651 -5.871 1.00 0.00 C ATOM 845 C PRO A 56 7.261 -3.811 -5.140 1.00 0.00 C ATOM 846 O PRO A 56 7.796 -4.399 -4.197 1.00 0.00 O ATOM 847 CB PRO A 56 9.474 -2.557 -5.563 1.00 0.00 C ATOM 848 CG PRO A 56 9.547 -1.728 -4.310 1.00 0.00 C ATOM 849 CD PRO A 56 8.345 -0.786 -4.343 1.00 0.00 C ATOM 0 HA PRO A 56 7.765 -2.852 -6.924 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.912 -3.544 -5.413 1.00 0.00 H new ATOM 0 HB3 PRO A 56 10.018 -2.088 -6.383 1.00 0.00 H new ATOM 0 HG2 PRO A 56 9.519 -2.362 -3.423 1.00 0.00 H new ATOM 0 HG3 PRO A 56 10.480 -1.166 -4.271 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.841 -0.750 -3.377 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.645 0.234 -4.584 1.00 0.00 H new ATOM 857 N LEU A 57 6.049 -4.141 -5.616 1.00 0.00 N ATOM 858 CA LEU A 57 5.262 -5.258 -5.078 1.00 0.00 C ATOM 859 C LEU A 57 5.931 -6.587 -5.470 1.00 0.00 C ATOM 860 O LEU A 57 5.776 -7.587 -4.783 1.00 0.00 O ATOM 861 CB LEU A 57 3.786 -5.191 -5.570 1.00 0.00 C ATOM 862 CG LEU A 57 2.792 -6.176 -4.871 1.00 0.00 C ATOM 863 CD1 LEU A 57 2.789 -5.990 -3.332 1.00 0.00 C ATOM 864 CD2 LEU A 57 1.368 -6.037 -5.459 1.00 0.00 C ATOM 0 H LEU A 57 5.591 -3.643 -6.380 1.00 0.00 H new ATOM 0 HA LEU A 57 5.235 -5.188 -3.991 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.421 -4.174 -5.428 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.770 -5.388 -6.642 1.00 0.00 H new ATOM 0 HG LEU A 57 3.139 -7.190 -5.071 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.086 -6.692 -2.882 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.789 -6.177 -2.941 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.489 -4.971 -3.089 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.697 -6.733 -4.955 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.011 -5.018 -5.311 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.391 -6.262 -6.525 1.00 0.00 H new ATOM 876 N GLU A 58 6.716 -6.548 -6.570 1.00 0.00 N ATOM 877 CA GLU A 58 7.569 -7.664 -7.013 1.00 0.00 C ATOM 878 C GLU A 58 8.556 -8.088 -5.906 1.00 0.00 C ATOM 879 O GLU A 58 8.802 -9.281 -5.713 1.00 0.00 O ATOM 880 CB GLU A 58 8.340 -7.275 -8.302 1.00 0.00 C ATOM 881 CG GLU A 58 9.222 -6.010 -8.173 1.00 0.00 C ATOM 882 CD GLU A 58 10.061 -5.716 -9.427 1.00 0.00 C ATOM 883 OE1 GLU A 58 11.069 -6.420 -9.653 1.00 0.00 O ATOM 884 OE2 GLU A 58 9.723 -4.792 -10.198 1.00 0.00 O ATOM 0 H GLU A 58 6.773 -5.731 -7.178 1.00 0.00 H new ATOM 0 HA GLU A 58 6.923 -8.514 -7.231 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.972 -8.113 -8.598 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.621 -7.119 -9.106 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.584 -5.152 -7.963 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.889 -6.127 -7.319 1.00 0.00 H new ATOM 891 N LYS A 59 9.089 -7.099 -5.168 1.00 0.00 N ATOM 892 CA LYS A 59 9.974 -7.342 -4.024 1.00 0.00 C ATOM 893 C LYS A 59 9.152 -7.843 -2.831 1.00 0.00 C ATOM 894 O LYS A 59 9.431 -8.903 -2.297 1.00 0.00 O ATOM 895 CB LYS A 59 10.755 -6.056 -3.628 1.00 0.00 C ATOM 896 CG LYS A 59 11.556 -6.184 -2.305 1.00 0.00 C ATOM 897 CD LYS A 59 12.384 -4.933 -1.964 1.00 0.00 C ATOM 898 CE LYS A 59 13.005 -5.003 -0.556 1.00 0.00 C ATOM 899 NZ LYS A 59 13.887 -6.190 -0.371 1.00 0.00 N ATOM 0 H LYS A 59 8.916 -6.110 -5.351 1.00 0.00 H new ATOM 0 HA LYS A 59 10.701 -8.101 -4.312 1.00 0.00 H new ATOM 0 HB2 LYS A 59 11.443 -5.799 -4.433 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.050 -5.230 -3.535 1.00 0.00 H new ATOM 0 HG2 LYS A 59 10.863 -6.385 -1.488 1.00 0.00 H new ATOM 0 HG3 LYS A 59 12.223 -7.043 -2.375 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.177 -4.814 -2.702 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.748 -4.050 -2.034 1.00 0.00 H new ATOM 0 HE2 LYS A 59 13.581 -4.096 -0.373 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.208 -5.030 0.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 14.223 -6.223 0.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.352 -7.056 -0.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 14.702 -6.120 -1.013 1.00 0.00 H new ATOM 913 N TRP A 60 8.107 -7.071 -2.475 1.00 0.00 N ATOM 914 CA TRP A 60 7.342 -7.248 -1.218 1.00 0.00 C ATOM 915 C TRP A 60 6.686 -8.644 -1.143 1.00 0.00 C ATOM 916 O TRP A 60 6.746 -9.318 -0.106 1.00 0.00 O ATOM 917 CB TRP A 60 6.275 -6.131 -1.088 1.00 0.00 C ATOM 918 CG TRP A 60 6.836 -4.720 -1.010 1.00 0.00 C ATOM 919 CD1 TRP A 60 8.144 -4.313 -1.113 1.00 0.00 C ATOM 920 CD2 TRP A 60 6.080 -3.531 -0.794 1.00 0.00 C ATOM 921 NE1 TRP A 60 8.227 -2.955 -0.994 1.00 0.00 N ATOM 922 CE2 TRP A 60 6.978 -2.450 -0.796 1.00 0.00 C ATOM 923 CE3 TRP A 60 4.728 -3.278 -0.606 1.00 0.00 C ATOM 924 CZ2 TRP A 60 6.571 -1.138 -0.611 1.00 0.00 C ATOM 925 CZ3 TRP A 60 4.324 -1.977 -0.421 1.00 0.00 C ATOM 926 CH2 TRP A 60 5.239 -0.916 -0.432 1.00 0.00 C ATOM 0 H TRP A 60 7.765 -6.302 -3.052 1.00 0.00 H new ATOM 0 HA TRP A 60 8.039 -7.173 -0.383 1.00 0.00 H new ATOM 0 HB2 TRP A 60 5.600 -6.192 -1.941 1.00 0.00 H new ATOM 0 HB3 TRP A 60 5.679 -6.320 -0.195 1.00 0.00 H new ATOM 0 HD1 TRP A 60 8.986 -4.972 -1.266 1.00 0.00 H new ATOM 0 HE1 TRP A 60 9.086 -2.407 -1.045 1.00 0.00 H new ATOM 0 HE3 TRP A 60 4.010 -4.085 -0.605 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 7.281 -0.324 -0.609 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 3.276 -1.768 -0.263 1.00 0.00 H new ATOM 0 HH2 TRP A 60 4.882 0.094 -0.296 1.00 0.00 H new ATOM 937 N THR A 61 6.035 -9.036 -2.253 1.00 0.00 N ATOM 938 CA THR A 61 5.520 -10.401 -2.473 1.00 0.00 C ATOM 939 C THR A 61 6.622 -11.471 -2.296 1.00 0.00 C ATOM 940 O THR A 61 6.430 -12.445 -1.567 1.00 0.00 O ATOM 941 CB THR A 61 4.904 -10.524 -3.909 1.00 0.00 C ATOM 942 OG1 THR A 61 3.917 -9.496 -4.088 1.00 0.00 O ATOM 943 CG2 THR A 61 4.251 -11.896 -4.147 1.00 0.00 C ATOM 0 H THR A 61 5.849 -8.406 -3.033 1.00 0.00 H new ATOM 0 HA THR A 61 4.750 -10.579 -1.722 1.00 0.00 H new ATOM 0 HB THR A 61 5.716 -10.413 -4.628 1.00 0.00 H new ATOM 0 HG1 THR A 61 4.361 -8.650 -4.307 1.00 0.00 H new ATOM 0 HG21 THR A 61 3.839 -11.933 -5.155 1.00 0.00 H new ATOM 0 HG22 THR A 61 5.000 -12.680 -4.032 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.451 -12.049 -3.422 1.00 0.00 H new ATOM 951 N GLN A 62 7.782 -11.241 -2.944 1.00 0.00 N ATOM 952 CA GLN A 62 8.926 -12.178 -2.935 1.00 0.00 C ATOM 953 C GLN A 62 9.475 -12.361 -1.501 1.00 0.00 C ATOM 954 O GLN A 62 9.925 -13.445 -1.129 1.00 0.00 O ATOM 955 CB GLN A 62 10.056 -11.679 -3.889 1.00 0.00 C ATOM 956 CG GLN A 62 11.117 -12.739 -4.254 1.00 0.00 C ATOM 957 CD GLN A 62 10.549 -13.856 -5.139 1.00 0.00 C ATOM 958 OE1 GLN A 62 10.571 -13.762 -6.364 1.00 0.00 O ATOM 959 NE2 GLN A 62 10.024 -14.909 -4.535 1.00 0.00 N ATOM 0 H GLN A 62 7.953 -10.397 -3.491 1.00 0.00 H new ATOM 0 HA GLN A 62 8.572 -13.145 -3.294 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.599 -11.312 -4.808 1.00 0.00 H new ATOM 0 HB3 GLN A 62 10.557 -10.831 -3.422 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.946 -12.256 -4.771 1.00 0.00 H new ATOM 0 HG3 GLN A 62 11.521 -13.174 -3.340 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.018 -14.962 -3.516 1.00 0.00 H new ATOM 0 HE22 GLN A 62 9.625 -15.668 -5.088 1.00 0.00 H new ATOM 968 N GLU A 63 9.410 -11.276 -0.706 1.00 0.00 N ATOM 969 CA GLU A 63 9.822 -11.269 0.708 1.00 0.00 C ATOM 970 C GLU A 63 8.963 -12.242 1.528 1.00 0.00 C ATOM 971 O GLU A 63 9.477 -12.960 2.382 1.00 0.00 O ATOM 972 CB GLU A 63 9.719 -9.846 1.318 1.00 0.00 C ATOM 973 CG GLU A 63 10.557 -8.757 0.624 1.00 0.00 C ATOM 974 CD GLU A 63 12.065 -9.058 0.577 1.00 0.00 C ATOM 975 OE1 GLU A 63 12.723 -8.971 1.630 1.00 0.00 O ATOM 976 OE2 GLU A 63 12.599 -9.363 -0.514 1.00 0.00 O ATOM 0 H GLU A 63 9.067 -10.372 -1.032 1.00 0.00 H new ATOM 0 HA GLU A 63 10.863 -11.589 0.746 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.673 -9.539 1.301 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.019 -9.897 2.365 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.192 -8.627 -0.395 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.403 -7.810 1.141 1.00 0.00 H new ATOM 983 N VAL A 64 7.655 -12.274 1.245 1.00 0.00 N ATOM 984 CA VAL A 64 6.715 -13.178 1.928 1.00 0.00 C ATOM 985 C VAL A 64 6.947 -14.635 1.466 1.00 0.00 C ATOM 986 O VAL A 64 7.023 -15.556 2.299 1.00 0.00 O ATOM 987 CB VAL A 64 5.221 -12.745 1.673 1.00 0.00 C ATOM 988 CG1 VAL A 64 4.219 -13.690 2.395 1.00 0.00 C ATOM 989 CG2 VAL A 64 5.012 -11.260 2.082 1.00 0.00 C ATOM 0 H VAL A 64 7.218 -11.679 0.541 1.00 0.00 H new ATOM 0 HA VAL A 64 6.900 -13.116 3.000 1.00 0.00 H new ATOM 0 HB VAL A 64 5.018 -12.833 0.606 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.199 -13.360 2.196 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.349 -14.708 2.027 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.405 -13.666 3.469 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.976 -10.975 1.900 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.242 -11.138 3.141 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.672 -10.624 1.492 1.00 0.00 H new ATOM 999 N ASN A 65 7.079 -14.804 0.126 1.00 0.00 N ATOM 1000 CA ASN A 65 7.363 -16.103 -0.547 1.00 0.00 C ATOM 1001 C ASN A 65 8.583 -16.827 0.062 1.00 0.00 C ATOM 1002 O ASN A 65 8.546 -18.042 0.292 1.00 0.00 O ATOM 1003 CB ASN A 65 7.605 -15.891 -2.083 1.00 0.00 C ATOM 1004 CG ASN A 65 6.347 -15.530 -2.878 1.00 0.00 C ATOM 1005 OD1 ASN A 65 5.391 -14.965 -2.353 1.00 0.00 O ATOM 1006 ND2 ASN A 65 6.350 -15.838 -4.171 1.00 0.00 N ATOM 0 H ASN A 65 6.990 -14.029 -0.531 1.00 0.00 H new ATOM 0 HA ASN A 65 6.485 -16.730 -0.392 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.344 -15.100 -2.216 1.00 0.00 H new ATOM 0 HB3 ASN A 65 8.034 -16.802 -2.500 1.00 0.00 H new ATOM 0 HD21 ASN A 65 5.545 -15.605 -4.753 1.00 0.00 H new ATOM 0 HD22 ASN A 65 7.157 -16.307 -4.582 1.00 0.00 H new ATOM 1013 N ASP A 66 9.659 -16.065 0.316 1.00 0.00 N ATOM 1014 CA ASP A 66 10.941 -16.611 0.826 1.00 0.00 C ATOM 1015 C ASP A 66 11.109 -16.415 2.343 1.00 0.00 C ATOM 1016 O ASP A 66 12.141 -16.811 2.903 1.00 0.00 O ATOM 1017 CB ASP A 66 12.130 -15.978 0.062 1.00 0.00 C ATOM 1018 CG ASP A 66 12.187 -16.434 -1.401 1.00 0.00 C ATOM 1019 OD1 ASP A 66 11.557 -15.788 -2.263 1.00 0.00 O ATOM 1020 OD2 ASP A 66 12.863 -17.448 -1.697 1.00 0.00 O ATOM 0 H ASP A 66 9.672 -15.055 0.176 1.00 0.00 H new ATOM 0 HA ASP A 66 10.926 -17.686 0.649 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.047 -14.892 0.099 1.00 0.00 H new ATOM 0 HB3 ASP A 66 13.062 -16.243 0.560 1.00 0.00 H new ATOM 1025 N GLY A 67 10.109 -15.810 3.008 1.00 0.00 N ATOM 1026 CA GLY A 67 10.149 -15.581 4.463 1.00 0.00 C ATOM 1027 C GLY A 67 11.163 -14.516 4.888 1.00 0.00 C ATOM 1028 O GLY A 67 11.573 -14.464 6.053 1.00 0.00 O ATOM 0 H GLY A 67 9.259 -15.469 2.558 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.157 -15.283 4.803 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.389 -16.519 4.964 1.00 0.00 H new ATOM 1032 N LYS A 68 11.568 -13.669 3.922 1.00 0.00 N ATOM 1033 CA LYS A 68 12.507 -12.552 4.140 1.00 0.00 C ATOM 1034 C LYS A 68 11.830 -11.360 4.854 1.00 0.00 C ATOM 1035 O LYS A 68 12.514 -10.494 5.400 1.00 0.00 O ATOM 1036 CB LYS A 68 13.112 -12.092 2.785 1.00 0.00 C ATOM 1037 CG LYS A 68 13.782 -13.210 1.949 1.00 0.00 C ATOM 1038 CD LYS A 68 14.849 -14.008 2.739 1.00 0.00 C ATOM 1039 CE LYS A 68 15.986 -13.125 3.284 1.00 0.00 C ATOM 1040 NZ LYS A 68 16.870 -13.867 4.203 1.00 0.00 N ATOM 0 H LYS A 68 11.248 -13.742 2.956 1.00 0.00 H new ATOM 0 HA LYS A 68 13.304 -12.913 4.790 1.00 0.00 H new ATOM 0 HB2 LYS A 68 12.321 -11.638 2.188 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.850 -11.314 2.980 1.00 0.00 H new ATOM 0 HG2 LYS A 68 13.015 -13.897 1.592 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.247 -12.767 1.069 1.00 0.00 H new ATOM 0 HD2 LYS A 68 14.367 -14.522 3.570 1.00 0.00 H new ATOM 0 HD3 LYS A 68 15.272 -14.776 2.091 1.00 0.00 H new ATOM 0 HE2 LYS A 68 16.573 -12.735 2.452 1.00 0.00 H new ATOM 0 HE3 LYS A 68 15.561 -12.267 3.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 17.622 -13.236 4.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 16.316 -14.217 5.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.296 -14.672 3.701 1.00 0.00 H new ATOM 1054 N ALA A 69 10.488 -11.358 4.838 1.00 0.00 N ATOM 1055 CA ALA A 69 9.644 -10.361 5.517 1.00 0.00 C ATOM 1056 C ALA A 69 8.196 -10.863 5.540 1.00 0.00 C ATOM 1057 O ALA A 69 7.843 -11.809 4.814 1.00 0.00 O ATOM 1058 CB ALA A 69 9.740 -8.973 4.853 1.00 0.00 C ATOM 0 H ALA A 69 9.947 -12.066 4.341 1.00 0.00 H new ATOM 0 HA ALA A 69 10.004 -10.239 6.539 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.101 -8.269 5.387 1.00 0.00 H new ATOM 0 HB2 ALA A 69 10.772 -8.624 4.887 1.00 0.00 H new ATOM 0 HB3 ALA A 69 9.415 -9.043 3.815 1.00 0.00 H new ATOM 1064 N THR A 70 7.363 -10.218 6.367 1.00 0.00 N ATOM 1065 CA THR A 70 5.964 -10.628 6.592 1.00 0.00 C ATOM 1066 C THR A 70 4.991 -9.674 5.872 1.00 0.00 C ATOM 1067 O THR A 70 5.356 -8.543 5.508 1.00 0.00 O ATOM 1068 CB THR A 70 5.631 -10.696 8.127 1.00 0.00 C ATOM 1069 OG1 THR A 70 4.265 -11.102 8.320 1.00 0.00 O ATOM 1070 CG2 THR A 70 5.859 -9.366 8.863 1.00 0.00 C ATOM 0 H THR A 70 7.638 -9.394 6.902 1.00 0.00 H new ATOM 0 HA THR A 70 5.841 -11.627 6.175 1.00 0.00 H new ATOM 0 HB THR A 70 6.319 -11.427 8.551 1.00 0.00 H new ATOM 0 HG1 THR A 70 4.068 -11.143 9.279 1.00 0.00 H new ATOM 0 HG21 THR A 70 5.609 -9.486 9.917 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.905 -9.073 8.769 1.00 0.00 H new ATOM 0 HG23 THR A 70 5.225 -8.595 8.426 1.00 0.00 H new ATOM 1078 N THR A 71 3.743 -10.155 5.692 1.00 0.00 N ATOM 1079 CA THR A 71 2.657 -9.358 5.102 1.00 0.00 C ATOM 1080 C THR A 71 2.297 -8.168 6.009 1.00 0.00 C ATOM 1081 O THR A 71 1.875 -7.128 5.514 1.00 0.00 O ATOM 1082 CB THR A 71 1.375 -10.218 4.840 1.00 0.00 C ATOM 1083 OG1 THR A 71 0.910 -10.794 6.066 1.00 0.00 O ATOM 1084 CG2 THR A 71 1.621 -11.340 3.823 1.00 0.00 C ATOM 0 H THR A 71 3.465 -11.102 5.951 1.00 0.00 H new ATOM 0 HA THR A 71 3.023 -8.988 4.144 1.00 0.00 H new ATOM 0 HB THR A 71 0.623 -9.547 4.426 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.107 -11.329 5.892 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.701 -11.907 3.677 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.936 -10.908 2.873 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.401 -12.004 4.195 1.00 0.00 H new ATOM 1092 N GLU A 72 2.462 -8.339 7.346 1.00 0.00 N ATOM 1093 CA GLU A 72 2.212 -7.261 8.328 1.00 0.00 C ATOM 1094 C GLU A 72 3.084 -6.032 8.005 1.00 0.00 C ATOM 1095 O GLU A 72 2.592 -4.910 7.945 1.00 0.00 O ATOM 1096 CB GLU A 72 2.508 -7.728 9.782 1.00 0.00 C ATOM 1097 CG GLU A 72 2.223 -6.659 10.862 1.00 0.00 C ATOM 1098 CD GLU A 72 2.795 -6.997 12.250 1.00 0.00 C ATOM 1099 OE1 GLU A 72 3.989 -6.716 12.492 1.00 0.00 O ATOM 1100 OE2 GLU A 72 2.062 -7.539 13.109 1.00 0.00 O ATOM 0 H GLU A 72 2.768 -9.217 7.766 1.00 0.00 H new ATOM 0 HA GLU A 72 1.157 -6.997 8.258 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.909 -8.613 9.996 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.554 -8.027 9.850 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.638 -5.706 10.533 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.145 -6.524 10.949 1.00 0.00 H new ATOM 1107 N GLN A 73 4.367 -6.296 7.723 1.00 0.00 N ATOM 1108 CA GLN A 73 5.409 -5.265 7.557 1.00 0.00 C ATOM 1109 C GLN A 73 5.091 -4.302 6.393 1.00 0.00 C ATOM 1110 O GLN A 73 5.496 -3.143 6.410 1.00 0.00 O ATOM 1111 CB GLN A 73 6.779 -5.957 7.325 1.00 0.00 C ATOM 1112 CG GLN A 73 7.995 -5.011 7.320 1.00 0.00 C ATOM 1113 CD GLN A 73 9.310 -5.719 6.991 1.00 0.00 C ATOM 1114 OE1 GLN A 73 10.001 -6.222 7.873 1.00 0.00 O ATOM 1115 NE2 GLN A 73 9.667 -5.743 5.719 1.00 0.00 N ATOM 0 H GLN A 73 4.719 -7.246 7.601 1.00 0.00 H new ATOM 0 HA GLN A 73 5.443 -4.666 8.467 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.925 -6.708 8.101 1.00 0.00 H new ATOM 0 HB3 GLN A 73 6.745 -6.486 6.372 1.00 0.00 H new ATOM 0 HG2 GLN A 73 7.826 -4.217 6.593 1.00 0.00 H new ATOM 0 HG3 GLN A 73 8.081 -4.535 8.297 1.00 0.00 H new ATOM 0 HE21 GLN A 73 9.068 -5.315 5.013 1.00 0.00 H new ATOM 0 HE22 GLN A 73 10.542 -6.190 5.443 1.00 0.00 H new ATOM 1124 N TYR A 74 4.396 -4.812 5.367 1.00 0.00 N ATOM 1125 CA TYR A 74 4.036 -4.018 4.182 1.00 0.00 C ATOM 1126 C TYR A 74 2.538 -3.643 4.194 1.00 0.00 C ATOM 1127 O TYR A 74 2.187 -2.471 4.318 1.00 0.00 O ATOM 1128 CB TYR A 74 4.414 -4.809 2.900 1.00 0.00 C ATOM 1129 CG TYR A 74 5.924 -5.106 2.795 1.00 0.00 C ATOM 1130 CD1 TYR A 74 6.850 -4.058 2.731 1.00 0.00 C ATOM 1131 CD2 TYR A 74 6.423 -6.416 2.756 1.00 0.00 C ATOM 1132 CE1 TYR A 74 8.204 -4.304 2.635 1.00 0.00 C ATOM 1133 CE2 TYR A 74 7.783 -6.659 2.659 1.00 0.00 C ATOM 1134 CZ TYR A 74 8.665 -5.599 2.598 1.00 0.00 C ATOM 1135 OH TYR A 74 10.020 -5.837 2.506 1.00 0.00 O ATOM 0 H TYR A 74 4.070 -5.778 5.333 1.00 0.00 H new ATOM 0 HA TYR A 74 4.595 -3.083 4.196 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.863 -5.749 2.885 1.00 0.00 H new ATOM 0 HB3 TYR A 74 4.100 -4.241 2.024 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.498 -3.037 2.757 1.00 0.00 H new ATOM 0 HD2 TYR A 74 5.736 -7.248 2.802 1.00 0.00 H new ATOM 0 HE1 TYR A 74 8.901 -3.480 2.589 1.00 0.00 H new ATOM 0 HE2 TYR A 74 8.152 -7.674 2.631 1.00 0.00 H new ATOM 0 HH TYR A 74 10.235 -6.683 2.952 1.00 0.00 H new ATOM 1145 N PHE A 75 1.679 -4.667 4.096 1.00 0.00 N ATOM 1146 CA PHE A 75 0.229 -4.526 3.833 1.00 0.00 C ATOM 1147 C PHE A 75 -0.571 -3.813 4.958 1.00 0.00 C ATOM 1148 O PHE A 75 -1.670 -3.328 4.675 1.00 0.00 O ATOM 1149 CB PHE A 75 -0.394 -5.910 3.518 1.00 0.00 C ATOM 1150 CG PHE A 75 0.121 -6.568 2.236 1.00 0.00 C ATOM 1151 CD1 PHE A 75 1.365 -7.201 2.198 1.00 0.00 C ATOM 1152 CD2 PHE A 75 -0.641 -6.554 1.068 1.00 0.00 C ATOM 1153 CE1 PHE A 75 1.830 -7.791 1.038 1.00 0.00 C ATOM 1154 CE2 PHE A 75 -0.176 -7.149 -0.091 1.00 0.00 C ATOM 1155 CZ PHE A 75 1.057 -7.764 -0.105 1.00 0.00 C ATOM 0 H PHE A 75 1.973 -5.638 4.198 1.00 0.00 H new ATOM 0 HA PHE A 75 0.151 -3.869 2.966 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.201 -6.579 4.356 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -1.476 -5.797 3.443 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.974 -7.230 3.090 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.607 -6.072 1.068 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.797 -8.272 1.026 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.780 -7.131 -0.986 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.419 -8.226 -1.012 1.00 0.00 H new ATOM 1165 N VAL A 76 -0.067 -3.767 6.227 1.00 0.00 N ATOM 1166 CA VAL A 76 -0.674 -2.879 7.258 1.00 0.00 C ATOM 1167 C VAL A 76 -0.533 -1.434 6.781 1.00 0.00 C ATOM 1168 O VAL A 76 0.556 -1.005 6.460 1.00 0.00 O ATOM 1169 CB VAL A 76 -0.056 -3.027 8.700 1.00 0.00 C ATOM 1170 CG1 VAL A 76 -0.656 -2.003 9.694 1.00 0.00 C ATOM 1171 CG2 VAL A 76 -0.230 -4.450 9.251 1.00 0.00 C ATOM 0 H VAL A 76 0.730 -4.315 6.550 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.717 -3.178 7.362 1.00 0.00 H new ATOM 0 HB VAL A 76 1.010 -2.823 8.598 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.202 -2.140 10.676 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.456 -0.992 9.340 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.733 -2.155 9.768 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.209 -4.511 10.247 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.292 -4.691 9.307 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.269 -5.159 8.591 1.00 0.00 H new ATOM 1181 N LEU A 77 -1.646 -0.707 6.770 1.00 0.00 N ATOM 1182 CA LEU A 77 -1.802 0.529 5.991 1.00 0.00 C ATOM 1183 C LEU A 77 -0.870 1.669 6.462 1.00 0.00 C ATOM 1184 O LEU A 77 -0.462 2.500 5.647 1.00 0.00 O ATOM 1185 CB LEU A 77 -3.281 0.955 6.025 1.00 0.00 C ATOM 1186 CG LEU A 77 -4.304 -0.173 5.669 1.00 0.00 C ATOM 1187 CD1 LEU A 77 -5.745 0.341 5.725 1.00 0.00 C ATOM 1188 CD2 LEU A 77 -3.983 -0.828 4.305 1.00 0.00 C ATOM 0 H LEU A 77 -2.477 -0.957 7.306 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.500 0.322 4.964 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.512 1.332 7.021 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.421 1.783 5.330 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.206 -0.950 6.427 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.430 -0.468 5.472 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.964 0.701 6.730 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.868 1.157 5.012 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.716 -1.606 4.094 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.020 -0.072 3.521 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.986 -1.268 4.338 1.00 0.00 H new ATOM 1200 N LYS A 78 -0.580 1.726 7.777 1.00 0.00 N ATOM 1201 CA LYS A 78 0.433 2.668 8.326 1.00 0.00 C ATOM 1202 C LYS A 78 1.842 2.378 7.778 1.00 0.00 C ATOM 1203 O LYS A 78 2.618 3.305 7.520 1.00 0.00 O ATOM 1204 CB LYS A 78 0.457 2.623 9.879 1.00 0.00 C ATOM 1205 CG LYS A 78 0.892 1.279 10.509 1.00 0.00 C ATOM 1206 CD LYS A 78 0.755 1.267 12.046 1.00 0.00 C ATOM 1207 CE LYS A 78 1.185 -0.065 12.677 1.00 0.00 C ATOM 1208 NZ LYS A 78 2.626 -0.354 12.452 1.00 0.00 N ATOM 0 H LYS A 78 -1.026 1.137 8.480 1.00 0.00 H new ATOM 0 HA LYS A 78 0.139 3.667 8.003 1.00 0.00 H new ATOM 0 HB2 LYS A 78 1.129 3.404 10.236 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.540 2.868 10.246 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.289 0.474 10.089 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.928 1.075 10.240 1.00 0.00 H new ATOM 0 HD2 LYS A 78 1.358 2.072 12.465 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.281 1.472 12.314 1.00 0.00 H new ATOM 0 HE2 LYS A 78 0.984 -0.039 13.748 1.00 0.00 H new ATOM 0 HE3 LYS A 78 0.585 -0.873 12.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 2.875 -1.254 12.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 2.811 -0.422 11.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 3.201 0.412 12.858 1.00 0.00 H new ATOM 1222 N ASN A 79 2.142 1.082 7.609 1.00 0.00 N ATOM 1223 CA ASN A 79 3.452 0.600 7.140 1.00 0.00 C ATOM 1224 C ASN A 79 3.563 0.803 5.630 1.00 0.00 C ATOM 1225 O ASN A 79 4.591 1.227 5.137 1.00 0.00 O ATOM 1226 CB ASN A 79 3.642 -0.901 7.476 1.00 0.00 C ATOM 1227 CG ASN A 79 3.496 -1.225 8.961 1.00 0.00 C ATOM 1228 OD1 ASN A 79 3.722 -0.383 9.815 1.00 0.00 O ATOM 1229 ND2 ASN A 79 3.140 -2.452 9.276 1.00 0.00 N ATOM 0 H ASN A 79 1.477 0.331 7.795 1.00 0.00 H new ATOM 0 HA ASN A 79 4.230 1.170 7.648 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.913 -1.484 6.913 1.00 0.00 H new ATOM 0 HB3 ASN A 79 4.630 -1.216 7.141 1.00 0.00 H new ATOM 0 HD21 ASN A 79 3.047 -2.720 10.256 1.00 0.00 H new ATOM 0 HD22 ASN A 79 2.957 -3.135 8.541 1.00 0.00 H new ATOM 1236 N LEU A 80 2.482 0.440 4.922 1.00 0.00 N ATOM 1237 CA LEU A 80 2.294 0.673 3.484 1.00 0.00 C ATOM 1238 C LEU A 80 2.538 2.153 3.148 1.00 0.00 C ATOM 1239 O LEU A 80 3.352 2.478 2.286 1.00 0.00 O ATOM 1240 CB LEU A 80 0.846 0.229 3.102 1.00 0.00 C ATOM 1241 CG LEU A 80 0.402 0.378 1.615 1.00 0.00 C ATOM 1242 CD1 LEU A 80 1.373 -0.336 0.657 1.00 0.00 C ATOM 1243 CD2 LEU A 80 -1.050 -0.136 1.426 1.00 0.00 C ATOM 0 H LEU A 80 1.690 -0.039 5.350 1.00 0.00 H new ATOM 0 HA LEU A 80 3.011 0.090 2.906 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.734 -0.819 3.380 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.149 0.798 3.717 1.00 0.00 H new ATOM 0 HG LEU A 80 0.426 1.439 1.365 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.030 -0.210 -0.370 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.369 0.093 0.762 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.408 -1.398 0.900 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.343 -0.024 0.382 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.103 -1.188 1.707 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.726 0.442 2.056 1.00 0.00 H new ATOM 1255 N ALA A 81 1.874 3.032 3.914 1.00 0.00 N ATOM 1256 CA ALA A 81 1.990 4.498 3.768 1.00 0.00 C ATOM 1257 C ALA A 81 3.394 5.003 4.158 1.00 0.00 C ATOM 1258 O ALA A 81 3.859 5.997 3.626 1.00 0.00 O ATOM 1259 CB ALA A 81 0.919 5.201 4.610 1.00 0.00 C ATOM 0 H ALA A 81 1.237 2.748 4.658 1.00 0.00 H new ATOM 0 HA ALA A 81 1.834 4.738 2.716 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.015 6.280 4.494 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.070 4.887 4.277 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.049 4.936 5.659 1.00 0.00 H new ATOM 1265 N ALA A 82 4.043 4.310 5.103 1.00 0.00 N ATOM 1266 CA ALA A 82 5.414 4.652 5.545 1.00 0.00 C ATOM 1267 C ALA A 82 6.450 4.309 4.446 1.00 0.00 C ATOM 1268 O ALA A 82 7.382 5.080 4.194 1.00 0.00 O ATOM 1269 CB ALA A 82 5.752 3.929 6.856 1.00 0.00 C ATOM 0 H ALA A 82 3.643 3.503 5.582 1.00 0.00 H new ATOM 0 HA ALA A 82 5.457 5.726 5.724 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.763 4.192 7.166 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.045 4.229 7.630 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.688 2.852 6.704 1.00 0.00 H new ATOM 1275 N ARG A 83 6.263 3.129 3.809 1.00 0.00 N ATOM 1276 CA ARG A 83 7.078 2.663 2.666 1.00 0.00 C ATOM 1277 C ARG A 83 6.970 3.649 1.493 1.00 0.00 C ATOM 1278 O ARG A 83 7.969 4.057 0.909 1.00 0.00 O ATOM 1279 CB ARG A 83 6.602 1.255 2.186 1.00 0.00 C ATOM 1280 CG ARG A 83 6.770 0.085 3.190 1.00 0.00 C ATOM 1281 CD ARG A 83 8.226 -0.102 3.638 1.00 0.00 C ATOM 1282 NE ARG A 83 9.141 -0.234 2.487 1.00 0.00 N ATOM 1283 CZ ARG A 83 10.270 0.468 2.322 1.00 0.00 C ATOM 1284 NH1 ARG A 83 10.679 1.331 3.233 1.00 0.00 N ATOM 1285 NH2 ARG A 83 10.971 0.325 1.229 1.00 0.00 N ATOM 0 H ARG A 83 5.534 2.468 4.078 1.00 0.00 H new ATOM 0 HA ARG A 83 8.114 2.601 3.000 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.548 1.325 1.918 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.146 1.003 1.276 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.145 0.268 4.064 1.00 0.00 H new ATOM 0 HG3 ARG A 83 6.413 -0.837 2.731 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.530 0.748 4.249 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.302 -0.989 4.266 1.00 0.00 H new ATOM 0 HE ARG A 83 8.895 -0.910 1.764 1.00 0.00 H new ATOM 0 HH11 ARG A 83 10.132 1.474 4.082 1.00 0.00 H new ATOM 0 HH12 ARG A 83 11.542 1.855 3.088 1.00 0.00 H new ATOM 0 HH21 ARG A 83 10.658 -0.320 0.503 1.00 0.00 H new ATOM 0 HH22 ARG A 83 11.831 0.858 1.101 1.00 0.00 H new ATOM 1299 N ILE A 84 5.723 4.019 1.188 1.00 0.00 N ATOM 1300 CA ILE A 84 5.381 4.912 0.075 1.00 0.00 C ATOM 1301 C ILE A 84 5.870 6.352 0.331 1.00 0.00 C ATOM 1302 O ILE A 84 6.335 7.024 -0.592 1.00 0.00 O ATOM 1303 CB ILE A 84 3.834 4.860 -0.193 1.00 0.00 C ATOM 1304 CG1 ILE A 84 3.438 3.435 -0.695 1.00 0.00 C ATOM 1305 CG2 ILE A 84 3.355 5.961 -1.172 1.00 0.00 C ATOM 1306 CD1 ILE A 84 1.950 3.176 -0.743 1.00 0.00 C ATOM 0 H ILE A 84 4.909 3.702 1.715 1.00 0.00 H new ATOM 0 HA ILE A 84 5.897 4.565 -0.820 1.00 0.00 H new ATOM 0 HB ILE A 84 3.326 5.063 0.750 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.852 3.288 -1.693 1.00 0.00 H new ATOM 0 HG13 ILE A 84 3.902 2.693 -0.045 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.278 5.875 -1.318 1.00 0.00 H new ATOM 0 HG22 ILE A 84 3.587 6.942 -0.758 1.00 0.00 H new ATOM 0 HG23 ILE A 84 3.862 5.842 -2.130 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.768 2.163 -1.103 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.529 3.287 0.256 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.478 3.891 -1.417 1.00 0.00 H new ATOM 1318 N ASP A 85 5.737 6.826 1.581 1.00 0.00 N ATOM 1319 CA ASP A 85 6.311 8.121 2.018 1.00 0.00 C ATOM 1320 C ASP A 85 7.844 8.142 1.867 1.00 0.00 C ATOM 1321 O ASP A 85 8.425 9.185 1.563 1.00 0.00 O ATOM 1322 CB ASP A 85 5.913 8.430 3.479 1.00 0.00 C ATOM 1323 CG ASP A 85 6.349 9.841 3.934 1.00 0.00 C ATOM 1324 OD1 ASP A 85 5.685 10.826 3.552 1.00 0.00 O ATOM 1325 OD2 ASP A 85 7.341 9.969 4.691 1.00 0.00 O ATOM 0 H ASP A 85 5.233 6.330 2.317 1.00 0.00 H new ATOM 0 HA ASP A 85 5.900 8.895 1.370 1.00 0.00 H new ATOM 0 HB2 ASP A 85 4.832 8.338 3.583 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.361 7.686 4.138 1.00 0.00 H new ATOM 1330 N GLU A 86 8.475 6.975 2.077 1.00 0.00 N ATOM 1331 CA GLU A 86 9.919 6.826 1.840 1.00 0.00 C ATOM 1332 C GLU A 86 10.222 6.911 0.326 1.00 0.00 C ATOM 1333 O GLU A 86 11.236 7.478 -0.072 1.00 0.00 O ATOM 1334 CB GLU A 86 10.463 5.501 2.429 1.00 0.00 C ATOM 1335 CG GLU A 86 11.978 5.297 2.213 1.00 0.00 C ATOM 1336 CD GLU A 86 12.523 4.033 2.881 1.00 0.00 C ATOM 1337 OE1 GLU A 86 12.684 4.029 4.124 1.00 0.00 O ATOM 1338 OE2 GLU A 86 12.782 3.027 2.179 1.00 0.00 O ATOM 0 H GLU A 86 8.012 6.128 2.408 1.00 0.00 H new ATOM 0 HA GLU A 86 10.427 7.644 2.352 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.252 5.476 3.498 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.926 4.667 1.978 1.00 0.00 H new ATOM 0 HG2 GLU A 86 12.182 5.250 1.143 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.513 6.164 2.602 1.00 0.00 H new ATOM 1345 N LEU A 87 9.334 6.324 -0.502 1.00 0.00 N ATOM 1346 CA LEU A 87 9.449 6.348 -1.978 1.00 0.00 C ATOM 1347 C LEU A 87 9.264 7.770 -2.561 1.00 0.00 C ATOM 1348 O LEU A 87 9.984 8.154 -3.495 1.00 0.00 O ATOM 1349 CB LEU A 87 8.435 5.348 -2.614 1.00 0.00 C ATOM 1350 CG LEU A 87 8.626 3.848 -2.211 1.00 0.00 C ATOM 1351 CD1 LEU A 87 7.505 2.951 -2.779 1.00 0.00 C ATOM 1352 CD2 LEU A 87 10.032 3.339 -2.613 1.00 0.00 C ATOM 0 H LEU A 87 8.514 5.818 -0.167 1.00 0.00 H new ATOM 0 HA LEU A 87 10.462 6.036 -2.232 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.426 5.655 -2.337 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.506 5.427 -3.699 1.00 0.00 H new ATOM 0 HG LEU A 87 8.552 3.788 -1.125 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.676 1.918 -2.475 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.541 3.287 -2.396 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.505 3.014 -3.867 1.00 0.00 H new ATOM 0 HD21 LEU A 87 10.138 2.294 -2.321 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.157 3.429 -3.692 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.793 3.935 -2.109 1.00 0.00 H new ATOM 1364 N VAL A 88 8.302 8.553 -2.009 1.00 0.00 N ATOM 1365 CA VAL A 88 8.053 9.942 -2.463 1.00 0.00 C ATOM 1366 C VAL A 88 9.190 10.872 -1.995 1.00 0.00 C ATOM 1367 O VAL A 88 9.560 11.823 -2.694 1.00 0.00 O ATOM 1368 CB VAL A 88 6.641 10.515 -2.015 1.00 0.00 C ATOM 1369 CG1 VAL A 88 5.493 9.588 -2.471 1.00 0.00 C ATOM 1370 CG2 VAL A 88 6.556 10.791 -0.496 1.00 0.00 C ATOM 0 H VAL A 88 7.690 8.246 -1.253 1.00 0.00 H new ATOM 0 HA VAL A 88 8.033 9.909 -3.552 1.00 0.00 H new ATOM 0 HB VAL A 88 6.529 11.478 -2.513 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.539 10.006 -2.150 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.505 9.502 -3.558 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.624 8.601 -2.028 1.00 0.00 H new ATOM 0 HG21 VAL A 88 5.568 11.181 -0.252 1.00 0.00 H new ATOM 0 HG22 VAL A 88 6.726 9.864 0.052 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.314 11.523 -0.216 1.00 0.00 H new ATOM 1380 N ALA A 89 9.739 10.569 -0.808 1.00 0.00 N ATOM 1381 CA ALA A 89 10.913 11.267 -0.270 1.00 0.00 C ATOM 1382 C ALA A 89 12.136 10.990 -1.163 1.00 0.00 C ATOM 1383 O ALA A 89 12.862 11.910 -1.538 1.00 0.00 O ATOM 1384 CB ALA A 89 11.181 10.820 1.175 1.00 0.00 C ATOM 0 H ALA A 89 9.381 9.835 -0.197 1.00 0.00 H new ATOM 0 HA ALA A 89 10.721 12.340 -0.263 1.00 0.00 H new ATOM 0 HB1 ALA A 89 12.054 11.345 1.562 1.00 0.00 H new ATOM 0 HB2 ALA A 89 10.314 11.051 1.794 1.00 0.00 H new ATOM 0 HB3 ALA A 89 11.365 9.746 1.195 1.00 0.00 H new ATOM 1390 N ALA A 90 12.313 9.699 -1.506 1.00 0.00 N ATOM 1391 CA ALA A 90 13.438 9.182 -2.309 1.00 0.00 C ATOM 1392 C ALA A 90 13.522 9.817 -3.706 1.00 0.00 C ATOM 1393 O ALA A 90 14.605 10.226 -4.125 1.00 0.00 O ATOM 1394 CB ALA A 90 13.347 7.650 -2.427 1.00 0.00 C ATOM 0 H ALA A 90 11.660 8.968 -1.225 1.00 0.00 H new ATOM 0 HA ALA A 90 14.352 9.458 -1.783 1.00 0.00 H new ATOM 0 HB1 ALA A 90 14.182 7.281 -3.022 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.385 7.206 -1.432 1.00 0.00 H new ATOM 0 HB3 ALA A 90 12.409 7.377 -2.911 1.00 0.00 H new ATOM 1400 N LYS A 91 12.376 9.891 -4.416 1.00 0.00 N ATOM 1401 CA LYS A 91 12.325 10.435 -5.794 1.00 0.00 C ATOM 1402 C LYS A 91 12.688 11.936 -5.811 1.00 0.00 C ATOM 1403 O LYS A 91 13.339 12.412 -6.751 1.00 0.00 O ATOM 1404 CB LYS A 91 10.936 10.184 -6.453 1.00 0.00 C ATOM 1405 CG LYS A 91 9.763 10.943 -5.804 1.00 0.00 C ATOM 1406 CD LYS A 91 8.417 10.659 -6.493 1.00 0.00 C ATOM 1407 CE LYS A 91 7.244 11.414 -5.846 1.00 0.00 C ATOM 1408 NZ LYS A 91 7.370 12.881 -5.996 1.00 0.00 N ATOM 0 H LYS A 91 11.472 9.581 -4.059 1.00 0.00 H new ATOM 0 HA LYS A 91 13.070 9.904 -6.387 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.993 10.464 -7.505 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.722 9.116 -6.419 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.694 10.665 -4.752 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.965 12.014 -5.838 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.487 10.938 -7.544 1.00 0.00 H new ATOM 0 HD3 LYS A 91 8.216 9.588 -6.460 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.309 11.084 -6.298 1.00 0.00 H new ATOM 0 HE3 LYS A 91 7.193 11.162 -4.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.525 13.344 -5.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 8.213 13.211 -5.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 7.461 13.120 -7.004 1.00 0.00 H new ATOM 1422 N GLY A 92 12.288 12.657 -4.747 1.00 0.00 N ATOM 1423 CA GLY A 92 12.646 14.064 -4.585 1.00 0.00 C ATOM 1424 C GLY A 92 14.116 14.242 -4.246 1.00 0.00 C ATOM 1425 O GLY A 92 14.762 15.144 -4.763 1.00 0.00 O ATOM 0 H GLY A 92 11.717 12.281 -3.990 1.00 0.00 H new ATOM 0 HA2 GLY A 92 12.418 14.604 -5.504 1.00 0.00 H new ATOM 0 HA3 GLY A 92 12.036 14.505 -3.796 1.00 0.00 H new ATOM 1429 N ALA A 93 14.629 13.359 -3.369 1.00 0.00 N ATOM 1430 CA ALA A 93 16.043 13.316 -2.943 1.00 0.00 C ATOM 1431 C ALA A 93 16.988 12.996 -4.122 1.00 0.00 C ATOM 1432 O ALA A 93 18.146 13.433 -4.133 1.00 0.00 O ATOM 1433 CB ALA A 93 16.225 12.301 -1.801 1.00 0.00 C ATOM 0 H ALA A 93 14.060 12.638 -2.926 1.00 0.00 H new ATOM 0 HA ALA A 93 16.311 14.307 -2.577 1.00 0.00 H new ATOM 0 HB1 ALA A 93 17.271 12.279 -1.497 1.00 0.00 H new ATOM 0 HB2 ALA A 93 15.606 12.593 -0.952 1.00 0.00 H new ATOM 0 HB3 ALA A 93 15.926 11.310 -2.144 1.00 0.00 H new ATOM 1439 N LEU A 94 16.483 12.209 -5.099 1.00 0.00 N ATOM 1440 CA LEU A 94 17.179 11.952 -6.383 1.00 0.00 C ATOM 1441 C LEU A 94 17.446 13.274 -7.129 1.00 0.00 C ATOM 1442 O LEU A 94 18.560 13.511 -7.609 1.00 0.00 O ATOM 1443 CB LEU A 94 16.349 10.987 -7.281 1.00 0.00 C ATOM 1444 CG LEU A 94 16.295 9.494 -6.823 1.00 0.00 C ATOM 1445 CD1 LEU A 94 15.298 8.679 -7.677 1.00 0.00 C ATOM 1446 CD2 LEU A 94 17.704 8.850 -6.840 1.00 0.00 C ATOM 0 H LEU A 94 15.583 11.735 -5.021 1.00 0.00 H new ATOM 0 HA LEU A 94 18.134 11.478 -6.159 1.00 0.00 H new ATOM 0 HB2 LEU A 94 15.328 11.365 -7.338 1.00 0.00 H new ATOM 0 HB3 LEU A 94 16.759 11.021 -8.291 1.00 0.00 H new ATOM 0 HG LEU A 94 15.936 9.479 -5.794 1.00 0.00 H new ATOM 0 HD11 LEU A 94 15.284 7.645 -7.333 1.00 0.00 H new ATOM 0 HD12 LEU A 94 14.300 9.107 -7.579 1.00 0.00 H new ATOM 0 HD13 LEU A 94 15.605 8.709 -8.722 1.00 0.00 H new ATOM 0 HD21 LEU A 94 17.633 7.812 -6.516 1.00 0.00 H new ATOM 0 HD22 LEU A 94 18.109 8.888 -7.851 1.00 0.00 H new ATOM 0 HD23 LEU A 94 18.362 9.397 -6.164 1.00 0.00 H new ATOM 1458 N GLU A 95 16.407 14.121 -7.211 1.00 0.00 N ATOM 1459 CA GLU A 95 16.512 15.468 -7.788 1.00 0.00 C ATOM 1460 C GLU A 95 17.220 16.407 -6.800 1.00 0.00 C ATOM 1461 O GLU A 95 17.071 16.271 -5.577 1.00 0.00 O ATOM 1462 CB GLU A 95 15.106 16.023 -8.126 1.00 0.00 C ATOM 1463 CG GLU A 95 14.321 15.190 -9.150 1.00 0.00 C ATOM 1464 CD GLU A 95 12.969 15.829 -9.509 1.00 0.00 C ATOM 1465 OE1 GLU A 95 11.990 15.635 -8.756 1.00 0.00 O ATOM 1466 OE2 GLU A 95 12.883 16.544 -10.532 1.00 0.00 O ATOM 0 H GLU A 95 15.471 13.890 -6.879 1.00 0.00 H new ATOM 0 HA GLU A 95 17.095 15.409 -8.707 1.00 0.00 H new ATOM 0 HB2 GLU A 95 14.524 16.087 -7.207 1.00 0.00 H new ATOM 0 HB3 GLU A 95 15.212 17.038 -8.508 1.00 0.00 H new ATOM 0 HG2 GLU A 95 14.917 15.075 -10.055 1.00 0.00 H new ATOM 0 HG3 GLU A 95 14.153 14.190 -8.749 1.00 0.00 H new ATOM 1473 N HIS A 96 18.000 17.351 -7.333 1.00 0.00 N ATOM 1474 CA HIS A 96 18.641 18.389 -6.525 1.00 0.00 C ATOM 1475 C HIS A 96 17.620 19.516 -6.292 1.00 0.00 C ATOM 1476 O HIS A 96 17.558 20.495 -7.042 1.00 0.00 O ATOM 1477 CB HIS A 96 19.933 18.901 -7.205 1.00 0.00 C ATOM 1478 CG HIS A 96 20.768 19.791 -6.323 1.00 0.00 C ATOM 1479 ND1 HIS A 96 20.976 21.123 -6.586 1.00 0.00 N ATOM 1480 CD2 HIS A 96 21.440 19.529 -5.172 1.00 0.00 C ATOM 1481 CE1 HIS A 96 21.739 21.643 -5.649 1.00 0.00 C ATOM 1482 NE2 HIS A 96 22.037 20.699 -4.775 1.00 0.00 N ATOM 0 H HIS A 96 18.203 17.417 -8.330 1.00 0.00 H new ATOM 0 HA HIS A 96 18.947 17.983 -5.561 1.00 0.00 H new ATOM 0 HB2 HIS A 96 20.533 18.046 -7.516 1.00 0.00 H new ATOM 0 HB3 HIS A 96 19.665 19.448 -8.109 1.00 0.00 H new ATOM 0 HD2 HIS A 96 21.494 18.577 -4.664 1.00 0.00 H new ATOM 0 HE1 HIS A 96 22.067 22.671 -5.602 1.00 0.00 H new ATOM 0 HE2 HIS A 96 22.615 20.820 -3.943 1.00 0.00 H new ATOM 1491 N HIS A 97 16.788 19.322 -5.257 1.00 0.00 N ATOM 1492 CA HIS A 97 15.634 20.186 -4.933 1.00 0.00 C ATOM 1493 C HIS A 97 16.048 21.339 -3.992 1.00 0.00 C ATOM 1494 O HIS A 97 15.405 21.590 -2.963 1.00 0.00 O ATOM 1495 CB HIS A 97 14.478 19.315 -4.344 1.00 0.00 C ATOM 1496 CG HIS A 97 14.852 18.503 -3.125 1.00 0.00 C ATOM 1497 ND1 HIS A 97 15.531 17.305 -3.201 1.00 0.00 N ATOM 1498 CD2 HIS A 97 14.652 18.728 -1.803 1.00 0.00 C ATOM 1499 CE1 HIS A 97 15.732 16.837 -1.985 1.00 0.00 C ATOM 1500 NE2 HIS A 97 15.209 17.678 -1.125 1.00 0.00 N ATOM 0 H HIS A 97 16.898 18.544 -4.606 1.00 0.00 H new ATOM 0 HA HIS A 97 15.266 20.657 -5.845 1.00 0.00 H new ATOM 0 HB2 HIS A 97 13.645 19.969 -4.086 1.00 0.00 H new ATOM 0 HB3 HIS A 97 14.122 18.637 -5.119 1.00 0.00 H new ATOM 0 HD1 HIS A 97 15.831 16.851 -4.064 1.00 0.00 H new ATOM 0 HD2 HIS A 97 14.147 19.577 -1.367 1.00 0.00 H new ATOM 0 HE1 HIS A 97 16.241 15.917 -1.739 1.00 0.00 H new ATOM 1509 N HIS A 98 17.119 22.055 -4.378 1.00 0.00 N ATOM 1510 CA HIS A 98 17.605 23.226 -3.639 1.00 0.00 C ATOM 1511 C HIS A 98 16.673 24.412 -3.927 1.00 0.00 C ATOM 1512 O HIS A 98 16.871 25.157 -4.892 1.00 0.00 O ATOM 1513 CB HIS A 98 19.077 23.549 -4.025 1.00 0.00 C ATOM 1514 CG HIS A 98 19.687 24.699 -3.263 1.00 0.00 C ATOM 1515 ND1 HIS A 98 20.263 24.550 -2.022 1.00 0.00 N ATOM 1516 CD2 HIS A 98 19.800 26.013 -3.568 1.00 0.00 C ATOM 1517 CE1 HIS A 98 20.698 25.715 -1.597 1.00 0.00 C ATOM 1518 NE2 HIS A 98 20.433 26.621 -2.515 1.00 0.00 N ATOM 0 H HIS A 98 17.668 21.836 -5.209 1.00 0.00 H new ATOM 0 HA HIS A 98 17.596 23.019 -2.569 1.00 0.00 H new ATOM 0 HB2 HIS A 98 19.685 22.659 -3.863 1.00 0.00 H new ATOM 0 HB3 HIS A 98 19.119 23.773 -5.091 1.00 0.00 H new ATOM 0 HD2 HIS A 98 19.456 26.493 -4.472 1.00 0.00 H new ATOM 0 HE1 HIS A 98 21.190 25.898 -0.653 1.00 0.00 H new ATOM 0 HE2 HIS A 98 20.661 27.613 -2.453 1.00 0.00 H new ATOM 1527 N HIS A 99 15.610 24.518 -3.125 1.00 0.00 N ATOM 1528 CA HIS A 99 14.618 25.590 -3.235 1.00 0.00 C ATOM 1529 C HIS A 99 15.004 26.722 -2.265 1.00 0.00 C ATOM 1530 O HIS A 99 15.338 27.827 -2.699 1.00 0.00 O ATOM 1531 CB HIS A 99 13.206 25.018 -2.946 1.00 0.00 C ATOM 1532 CG HIS A 99 12.062 25.961 -3.211 1.00 0.00 C ATOM 1533 ND1 HIS A 99 11.055 26.201 -2.296 1.00 0.00 N ATOM 1534 CD2 HIS A 99 11.743 26.690 -4.308 1.00 0.00 C ATOM 1535 CE1 HIS A 99 10.177 27.036 -2.820 1.00 0.00 C ATOM 1536 NE2 HIS A 99 10.570 27.343 -4.034 1.00 0.00 N ATOM 0 H HIS A 99 15.412 23.856 -2.375 1.00 0.00 H new ATOM 0 HA HIS A 99 14.598 26.004 -4.243 1.00 0.00 H new ATOM 0 HB2 HIS A 99 13.064 24.122 -3.551 1.00 0.00 H new ATOM 0 HB3 HIS A 99 13.165 24.707 -1.902 1.00 0.00 H new ATOM 0 HD2 HIS A 99 12.308 26.746 -5.227 1.00 0.00 H new ATOM 0 HE1 HIS A 99 9.286 27.404 -2.332 1.00 0.00 H new ATOM 0 HE2 HIS A 99 10.080 27.969 -4.673 1.00 0.00 H new ATOM 1545 N HIS A 100 14.965 26.417 -0.948 1.00 0.00 N ATOM 1546 CA HIS A 100 15.413 27.328 0.140 1.00 0.00 C ATOM 1547 C HIS A 100 15.912 26.483 1.330 1.00 0.00 C ATOM 1548 O HIS A 100 15.666 25.273 1.383 1.00 0.00 O ATOM 1549 CB HIS A 100 14.262 28.264 0.638 1.00 0.00 C ATOM 1550 CG HIS A 100 13.806 29.315 -0.347 1.00 0.00 C ATOM 1551 ND1 HIS A 100 14.426 30.539 -0.476 1.00 0.00 N ATOM 1552 CD2 HIS A 100 12.788 29.322 -1.245 1.00 0.00 C ATOM 1553 CE1 HIS A 100 13.816 31.246 -1.406 1.00 0.00 C ATOM 1554 NE2 HIS A 100 12.820 30.533 -1.890 1.00 0.00 N ATOM 0 H HIS A 100 14.618 25.522 -0.603 1.00 0.00 H new ATOM 0 HA HIS A 100 16.209 27.955 -0.260 1.00 0.00 H new ATOM 0 HB2 HIS A 100 13.405 27.646 0.906 1.00 0.00 H new ATOM 0 HB3 HIS A 100 14.592 28.764 1.549 1.00 0.00 H new ATOM 0 HD2 HIS A 100 12.083 28.522 -1.420 1.00 0.00 H new ATOM 0 HE1 HIS A 100 14.087 32.243 -1.719 1.00 0.00 H new ATOM 0 HE2 HIS A 100 12.178 30.832 -2.624 1.00 0.00 H new ATOM 1563 N HIS A 101 16.626 27.129 2.272 1.00 0.00 N ATOM 1564 CA HIS A 101 16.951 26.529 3.587 1.00 0.00 C ATOM 1565 C HIS A 101 15.649 26.428 4.425 1.00 0.00 C ATOM 1566 O HIS A 101 15.122 27.479 4.848 1.00 0.00 O ATOM 1567 CB HIS A 101 18.037 27.359 4.346 1.00 0.00 C ATOM 1568 CG HIS A 101 19.449 27.151 3.858 1.00 0.00 C ATOM 1569 ND1 HIS A 101 20.377 26.383 4.532 1.00 0.00 N ATOM 1570 CD2 HIS A 101 20.096 27.628 2.770 1.00 0.00 C ATOM 1571 CE1 HIS A 101 21.521 26.387 3.876 1.00 0.00 C ATOM 1572 NE2 HIS A 101 21.377 27.135 2.804 1.00 0.00 N ATOM 1573 OXT HIS A 101 15.137 25.305 4.625 1.00 0.00 O ATOM 0 H HIS A 101 16.992 28.073 2.148 1.00 0.00 H new ATOM 0 HA HIS A 101 17.367 25.534 3.429 1.00 0.00 H new ATOM 0 HB2 HIS A 101 17.790 28.417 4.261 1.00 0.00 H new ATOM 0 HB3 HIS A 101 17.993 27.106 5.405 1.00 0.00 H new ATOM 0 HD2 HIS A 101 19.681 28.277 2.013 1.00 0.00 H new ATOM 0 HE1 HIS A 101 22.421 25.866 4.169 1.00 0.00 H new ATOM 0 HE2 HIS A 101 22.101 27.319 2.109 1.00 0.00 H new TER 1582 HIS A 101