USER MOD reduce.3.24.130724 H: found=0, std=0, add=384, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 384 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 Single : A 1 MET CE :methyl 180:sc=-0.00273 (180deg=-0.00273) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 11:sc= 0.723 USER MOD Single : A 8 GLN : amide:sc= -0.523 K(o=-0.52,f=-4.2!) USER MOD Single : A 22 THR OG1 : rot -20:sc= 0.0829 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -79:sc= 0.258 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl -159:sc= -0.731 (180deg=-3.12!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.523 11.962 8.460 1.00 0.00 N ATOM 2 CA MET A 1 9.158 10.753 9.246 1.00 0.00 C ATOM 3 C MET A 1 9.386 11.032 10.733 1.00 0.00 C ATOM 4 O MET A 1 8.790 11.952 11.294 1.00 0.00 O ATOM 5 CB MET A 1 10.021 9.571 8.788 1.00 0.00 C ATOM 6 CG MET A 1 9.466 8.258 9.361 1.00 0.00 C ATOM 7 SD MET A 1 8.229 7.579 8.223 1.00 0.00 S ATOM 8 CE MET A 1 7.113 6.891 9.473 1.00 0.00 C ATOM 0 H1 MET A 1 9.370 11.777 7.448 1.00 0.00 H new ATOM 0 H2 MET A 1 8.931 12.763 8.760 1.00 0.00 H new ATOM 0 H3 MET A 1 10.524 12.192 8.622 1.00 0.00 H new ATOM 0 HA MET A 1 8.108 10.507 9.087 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.038 9.523 7.699 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.050 9.714 9.116 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.274 7.541 9.506 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.018 8.436 10.339 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.264 6.416 8.981 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.647 6.152 10.070 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.755 7.691 10.121 1.00 0.00 H new ATOM 20 N GLY A 2 10.255 10.238 11.364 1.00 0.00 N ATOM 21 CA GLY A 2 10.560 10.411 12.789 1.00 0.00 C ATOM 22 C GLY A 2 10.132 9.190 13.601 1.00 0.00 C ATOM 23 O GLY A 2 10.249 9.177 14.827 1.00 0.00 O ATOM 0 H GLY A 2 10.758 9.473 10.915 1.00 0.00 H new ATOM 0 HA2 GLY A 2 11.630 10.578 12.916 1.00 0.00 H new ATOM 0 HA3 GLY A 2 10.051 11.298 13.167 1.00 0.00 H new ATOM 27 N GLY A 3 9.645 8.164 12.909 1.00 0.00 N ATOM 28 CA GLY A 3 9.209 6.931 13.567 1.00 0.00 C ATOM 29 C GLY A 3 7.715 6.963 13.854 1.00 0.00 C ATOM 30 O GLY A 3 7.183 6.098 14.554 1.00 0.00 O ATOM 0 H GLY A 3 9.541 8.159 11.894 1.00 0.00 H new ATOM 0 HA2 GLY A 3 9.443 6.075 12.934 1.00 0.00 H new ATOM 0 HA3 GLY A 3 9.759 6.798 14.499 1.00 0.00 H new ATOM 34 N ILE A 4 7.049 7.963 13.299 1.00 0.00 N ATOM 35 CA ILE A 4 5.612 8.120 13.484 1.00 0.00 C ATOM 36 C ILE A 4 4.865 6.881 12.974 1.00 0.00 C ATOM 37 O ILE A 4 4.981 5.800 13.552 1.00 0.00 O ATOM 38 CB ILE A 4 5.134 9.383 12.747 1.00 0.00 C ATOM 39 CG1 ILE A 4 5.966 10.603 13.176 1.00 0.00 C ATOM 40 CG2 ILE A 4 3.684 9.657 13.118 1.00 0.00 C ATOM 41 CD1 ILE A 4 5.824 11.707 12.123 1.00 0.00 C ATOM 0 H ILE A 4 7.480 8.680 12.715 1.00 0.00 H new ATOM 0 HA ILE A 4 5.399 8.227 14.548 1.00 0.00 H new ATOM 0 HB ILE A 4 5.242 9.220 11.675 1.00 0.00 H new ATOM 0 HG12 ILE A 4 5.628 10.965 14.147 1.00 0.00 H new ATOM 0 HG13 ILE A 4 7.013 10.323 13.287 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.338 10.551 12.599 1.00 0.00 H new ATOM 0 HG22 ILE A 4 3.067 8.807 12.827 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.606 9.809 14.194 1.00 0.00 H new ATOM 0 HD11 ILE A 4 6.412 12.574 12.423 1.00 0.00 H new ATOM 0 HD12 ILE A 4 6.183 11.341 11.161 1.00 0.00 H new ATOM 0 HD13 ILE A 4 4.776 11.993 12.035 1.00 0.00 H new ATOM 53 N SER A 5 4.085 7.045 11.912 1.00 0.00 N ATOM 54 CA SER A 5 3.312 5.952 11.354 1.00 0.00 C ATOM 55 C SER A 5 2.981 6.268 9.909 1.00 0.00 C ATOM 56 O SER A 5 3.586 7.147 9.310 1.00 0.00 O ATOM 57 CB SER A 5 2.008 5.777 12.136 1.00 0.00 C ATOM 58 OG SER A 5 2.294 5.224 13.417 1.00 0.00 O ATOM 0 H SER A 5 3.974 7.932 11.420 1.00 0.00 H new ATOM 0 HA SER A 5 3.895 5.033 11.417 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.506 6.738 12.247 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.328 5.123 11.589 1.00 0.00 H new ATOM 0 HG SER A 5 3.261 5.248 13.575 1.00 0.00 H new ATOM 64 N ILE A 6 2.029 5.540 9.357 1.00 0.00 N ATOM 65 CA ILE A 6 1.612 5.732 7.977 1.00 0.00 C ATOM 66 C ILE A 6 0.371 6.621 7.875 1.00 0.00 C ATOM 67 O ILE A 6 0.309 7.528 7.048 1.00 0.00 O ATOM 68 CB ILE A 6 1.291 4.381 7.387 1.00 0.00 C ATOM 69 CG1 ILE A 6 2.388 3.394 7.750 1.00 0.00 C ATOM 70 CG2 ILE A 6 1.185 4.523 5.896 1.00 0.00 C ATOM 71 CD1 ILE A 6 3.765 3.961 7.372 1.00 0.00 C ATOM 0 H ILE A 6 1.524 4.802 9.848 1.00 0.00 H new ATOM 0 HA ILE A 6 2.422 6.223 7.437 1.00 0.00 H new ATOM 0 HB ILE A 6 0.347 4.009 7.784 1.00 0.00 H new ATOM 0 HG12 ILE A 6 2.356 3.182 8.819 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.222 2.449 7.232 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.953 3.554 5.454 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.393 5.232 5.653 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.132 4.887 5.497 1.00 0.00 H new ATOM 0 HD11 ILE A 6 4.540 3.242 7.638 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.799 4.150 6.299 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.935 4.894 7.910 1.00 0.00 H new ATOM 83 N TRP A 7 -0.607 6.345 8.722 1.00 0.00 N ATOM 84 CA TRP A 7 -1.836 7.111 8.742 1.00 0.00 C ATOM 85 C TRP A 7 -1.515 8.561 9.113 1.00 0.00 C ATOM 86 O TRP A 7 -2.124 9.496 8.595 1.00 0.00 O ATOM 87 CB TRP A 7 -2.820 6.477 9.746 1.00 0.00 C ATOM 88 CG TRP A 7 -3.791 7.499 10.199 1.00 0.00 C ATOM 89 CD1 TRP A 7 -3.680 8.145 11.360 1.00 0.00 C ATOM 90 CD2 TRP A 7 -4.966 8.024 9.527 1.00 0.00 C ATOM 91 NE1 TRP A 7 -4.723 9.048 11.471 1.00 0.00 N ATOM 92 CE2 TRP A 7 -5.552 9.008 10.355 1.00 0.00 C ATOM 93 CE3 TRP A 7 -5.573 7.737 8.293 1.00 0.00 C ATOM 94 CZ2 TRP A 7 -6.710 9.692 9.965 1.00 0.00 C ATOM 95 CZ3 TRP A 7 -6.733 8.420 7.897 1.00 0.00 C ATOM 96 CH2 TRP A 7 -7.300 9.395 8.727 1.00 0.00 C ATOM 0 H TRP A 7 -0.570 5.591 9.408 1.00 0.00 H new ATOM 0 HA TRP A 7 -2.306 7.103 7.758 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -3.345 5.643 9.280 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -2.275 6.074 10.600 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -2.903 7.989 12.094 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -4.866 9.665 12.271 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -5.144 6.986 7.645 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -7.145 10.441 10.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -7.191 8.192 6.946 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -8.191 9.918 8.414 1.00 0.00 H new ATOM 107 N GLN A 8 -0.556 8.739 10.004 1.00 0.00 N ATOM 108 CA GLN A 8 -0.173 10.075 10.423 1.00 0.00 C ATOM 109 C GLN A 8 0.411 10.826 9.235 1.00 0.00 C ATOM 110 O GLN A 8 0.156 12.014 9.039 1.00 0.00 O ATOM 111 CB GLN A 8 0.856 9.982 11.550 1.00 0.00 C ATOM 112 CG GLN A 8 0.258 9.216 12.741 1.00 0.00 C ATOM 113 CD GLN A 8 -0.635 10.120 13.573 1.00 0.00 C ATOM 114 OE1 GLN A 8 -1.237 11.062 13.064 1.00 0.00 O ATOM 115 NE2 GLN A 8 -0.733 9.881 14.852 1.00 0.00 N ATOM 0 H GLN A 8 -0.033 7.984 10.447 1.00 0.00 H new ATOM 0 HA GLN A 8 -1.047 10.613 10.789 1.00 0.00 H new ATOM 0 HB2 GLN A 8 1.753 9.476 11.194 1.00 0.00 H new ATOM 0 HB3 GLN A 8 1.157 10.982 11.863 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -0.317 8.364 12.379 1.00 0.00 H new ATOM 0 HG3 GLN A 8 1.060 8.818 13.363 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -0.229 9.096 15.264 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -1.314 10.479 15.440 1.00 0.00 H new ATOM 124 N LEU A 9 1.173 10.107 8.438 1.00 0.00 N ATOM 125 CA LEU A 9 1.775 10.668 7.244 1.00 0.00 C ATOM 126 C LEU A 9 0.717 11.105 6.269 1.00 0.00 C ATOM 127 O LEU A 9 0.880 12.089 5.560 1.00 0.00 O ATOM 128 CB LEU A 9 2.724 9.695 6.574 1.00 0.00 C ATOM 129 CG LEU A 9 3.960 9.525 7.442 1.00 0.00 C ATOM 130 CD1 LEU A 9 4.807 8.436 6.820 1.00 0.00 C ATOM 131 CD2 LEU A 9 4.773 10.838 7.531 1.00 0.00 C ATOM 0 H LEU A 9 1.392 9.124 8.597 1.00 0.00 H new ATOM 0 HA LEU A 9 2.354 11.536 7.558 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.233 8.733 6.427 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.005 10.064 5.588 1.00 0.00 H new ATOM 0 HG LEU A 9 3.662 9.261 8.456 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.705 8.287 7.419 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.237 7.508 6.784 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.090 8.728 5.809 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.650 10.681 8.159 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.091 11.138 6.532 1.00 0.00 H new ATOM 0 HD23 LEU A 9 4.152 11.622 7.964 1.00 0.00 H new ATOM 143 N LEU A 10 -0.336 10.332 6.192 1.00 0.00 N ATOM 144 CA LEU A 10 -1.386 10.624 5.240 1.00 0.00 C ATOM 145 C LEU A 10 -2.022 11.977 5.557 1.00 0.00 C ATOM 146 O LEU A 10 -2.253 12.786 4.659 1.00 0.00 O ATOM 147 CB LEU A 10 -2.458 9.511 5.311 1.00 0.00 C ATOM 148 CG LEU A 10 -2.129 8.357 4.338 1.00 0.00 C ATOM 149 CD1 LEU A 10 -2.754 7.037 4.843 1.00 0.00 C ATOM 150 CD2 LEU A 10 -2.695 8.689 2.951 1.00 0.00 C ATOM 0 H LEU A 10 -0.492 9.505 6.768 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.963 10.664 4.236 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.520 9.126 6.329 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.436 9.928 5.068 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.047 8.237 4.280 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.515 6.232 4.148 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.353 6.798 5.828 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.836 7.149 4.910 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.465 7.877 2.261 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.776 8.813 3.019 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.246 9.613 2.587 1.00 0.00 H new ATOM 162 N ILE A 11 -2.271 12.246 6.819 1.00 0.00 N ATOM 163 CA ILE A 11 -2.831 13.529 7.181 1.00 0.00 C ATOM 164 C ILE A 11 -1.818 14.619 6.904 1.00 0.00 C ATOM 165 O ILE A 11 -2.141 15.655 6.336 1.00 0.00 O ATOM 166 CB ILE A 11 -3.169 13.525 8.667 1.00 0.00 C ATOM 167 CG1 ILE A 11 -4.305 12.512 8.951 1.00 0.00 C ATOM 168 CG2 ILE A 11 -3.601 14.927 9.124 1.00 0.00 C ATOM 169 CD1 ILE A 11 -4.025 11.786 10.272 1.00 0.00 C ATOM 0 H ILE A 11 -2.099 11.609 7.597 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.732 13.712 6.596 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.278 13.232 9.222 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.263 13.029 9.004 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.376 11.792 8.136 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.839 14.906 10.188 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -2.790 15.633 8.947 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.481 15.238 8.562 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.825 11.073 10.472 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.075 11.256 10.202 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.976 12.513 11.083 1.00 0.00 H new ATOM 181 N ILE A 12 -0.579 14.376 7.310 1.00 0.00 N ATOM 182 CA ILE A 12 0.465 15.350 7.102 1.00 0.00 C ATOM 183 C ILE A 12 0.752 15.547 5.617 1.00 0.00 C ATOM 184 O ILE A 12 0.835 16.675 5.135 1.00 0.00 O ATOM 185 CB ILE A 12 1.735 14.923 7.845 1.00 0.00 C ATOM 186 CG1 ILE A 12 1.540 15.113 9.352 1.00 0.00 C ATOM 187 CG2 ILE A 12 2.924 15.748 7.365 1.00 0.00 C ATOM 188 CD1 ILE A 12 2.663 14.393 10.100 1.00 0.00 C ATOM 0 H ILE A 12 -0.282 13.521 7.779 1.00 0.00 H new ATOM 0 HA ILE A 12 0.125 16.306 7.501 1.00 0.00 H new ATOM 0 HB ILE A 12 1.932 13.871 7.640 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.544 16.174 9.600 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.571 14.718 9.658 1.00 0.00 H new ATOM 0 HG21 ILE A 12 3.822 15.437 7.899 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.066 15.593 6.295 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.735 16.804 7.557 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.528 14.525 11.174 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.637 13.330 9.859 1.00 0.00 H new ATOM 0 HD13 ILE A 12 3.625 14.810 9.801 1.00 0.00 H new ATOM 200 N ALA A 13 0.898 14.444 4.905 1.00 0.00 N ATOM 201 CA ALA A 13 1.180 14.491 3.478 1.00 0.00 C ATOM 202 C ALA A 13 0.016 15.113 2.729 1.00 0.00 C ATOM 203 O ALA A 13 0.208 15.852 1.771 1.00 0.00 O ATOM 204 CB ALA A 13 1.465 13.075 2.968 1.00 0.00 C ATOM 0 H ALA A 13 0.826 13.502 5.291 1.00 0.00 H new ATOM 0 HA ALA A 13 2.059 15.111 3.303 1.00 0.00 H new ATOM 0 HB1 ALA A 13 1.676 13.109 1.899 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.326 12.665 3.495 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.595 12.442 3.146 1.00 0.00 H new ATOM 210 N VAL A 14 -1.194 14.824 3.160 1.00 0.00 N ATOM 211 CA VAL A 14 -2.349 15.390 2.493 1.00 0.00 C ATOM 212 C VAL A 14 -2.417 16.895 2.705 1.00 0.00 C ATOM 213 O VAL A 14 -2.667 17.627 1.770 1.00 0.00 O ATOM 214 CB VAL A 14 -3.624 14.722 3.021 1.00 0.00 C ATOM 215 CG1 VAL A 14 -4.863 15.521 2.586 1.00 0.00 C ATOM 216 CG2 VAL A 14 -3.712 13.281 2.482 1.00 0.00 C ATOM 0 H VAL A 14 -1.402 14.215 3.951 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.259 15.205 1.423 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.589 14.699 4.110 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.761 15.036 2.968 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.801 16.534 2.984 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.907 15.561 1.498 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.619 12.807 2.858 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -3.738 13.301 1.392 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.842 12.715 2.814 1.00 0.00 H new ATOM 226 N ILE A 15 -2.188 17.341 3.923 1.00 0.00 N ATOM 227 CA ILE A 15 -2.248 18.765 4.238 1.00 0.00 C ATOM 228 C ILE A 15 -1.160 19.508 3.514 1.00 0.00 C ATOM 229 O ILE A 15 -1.380 20.600 2.986 1.00 0.00 O ATOM 230 CB ILE A 15 -2.124 18.989 5.745 1.00 0.00 C ATOM 231 CG1 ILE A 15 -3.354 18.401 6.413 1.00 0.00 C ATOM 232 CG2 ILE A 15 -2.061 20.490 6.068 1.00 0.00 C ATOM 233 CD1 ILE A 15 -3.117 18.298 7.922 1.00 0.00 C ATOM 0 H ILE A 15 -1.958 16.742 4.716 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.214 19.147 3.909 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.212 18.514 6.105 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.224 19.027 6.213 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.569 17.415 6.000 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.973 20.627 7.146 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.196 20.932 5.574 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.969 20.977 5.714 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.000 17.876 8.401 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.258 17.654 8.112 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.923 19.291 8.328 1.00 0.00 H new ATOM 245 N VAL A 16 0.010 18.918 3.503 1.00 0.00 N ATOM 246 CA VAL A 16 1.148 19.529 2.867 1.00 0.00 C ATOM 247 C VAL A 16 0.910 19.652 1.394 1.00 0.00 C ATOM 248 O VAL A 16 1.319 20.624 0.777 1.00 0.00 O ATOM 249 CB VAL A 16 2.448 18.741 3.186 1.00 0.00 C ATOM 250 CG1 VAL A 16 2.830 17.841 2.021 1.00 0.00 C ATOM 251 CG2 VAL A 16 3.638 19.683 3.497 1.00 0.00 C ATOM 0 H VAL A 16 0.198 18.011 3.930 1.00 0.00 H new ATOM 0 HA VAL A 16 1.281 20.535 3.266 1.00 0.00 H new ATOM 0 HB VAL A 16 2.239 18.140 4.071 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.743 17.298 2.265 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.025 17.131 1.831 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.996 18.448 1.131 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.525 19.089 3.714 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.831 20.322 2.635 1.00 0.00 H new ATOM 0 HG23 VAL A 16 3.396 20.302 4.361 1.00 0.00 H new ATOM 261 N VAL A 17 0.296 18.679 0.807 1.00 0.00 N ATOM 262 CA VAL A 17 0.111 18.748 -0.593 1.00 0.00 C ATOM 263 C VAL A 17 -0.798 19.918 -0.972 1.00 0.00 C ATOM 264 O VAL A 17 -0.525 20.626 -1.948 1.00 0.00 O ATOM 265 CB VAL A 17 -0.482 17.422 -1.073 1.00 0.00 C ATOM 266 CG1 VAL A 17 -0.801 17.509 -2.537 1.00 0.00 C ATOM 267 CG2 VAL A 17 0.518 16.274 -0.886 1.00 0.00 C ATOM 0 H VAL A 17 -0.076 17.848 1.266 1.00 0.00 H new ATOM 0 HA VAL A 17 1.073 18.918 -1.077 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.381 17.230 -0.487 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.223 16.562 -2.874 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.523 18.308 -2.705 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.111 17.720 -3.096 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.072 15.343 -1.235 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.421 16.481 -1.460 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.772 16.181 0.170 1.00 0.00 H new ATOM 277 N LEU A 18 -1.866 20.117 -0.230 1.00 0.00 N ATOM 278 CA LEU A 18 -2.786 21.196 -0.560 1.00 0.00 C ATOM 279 C LEU A 18 -2.127 22.574 -0.481 1.00 0.00 C ATOM 280 O LEU A 18 -2.277 23.401 -1.383 1.00 0.00 O ATOM 281 CB LEU A 18 -3.947 21.145 0.413 1.00 0.00 C ATOM 282 CG LEU A 18 -4.517 19.728 0.484 1.00 0.00 C ATOM 283 CD1 LEU A 18 -5.809 19.735 1.278 1.00 0.00 C ATOM 284 CD2 LEU A 18 -4.762 19.161 -0.921 1.00 0.00 C ATOM 0 H LEU A 18 -2.120 19.563 0.588 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.118 21.055 -1.589 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.616 21.461 1.402 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.724 21.842 0.099 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.789 19.088 0.983 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.212 18.723 1.326 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.614 20.096 2.288 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.531 20.390 0.792 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.167 18.152 -0.841 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.472 19.796 -1.451 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.821 19.131 -1.470 1.00 0.00 H new ATOM 296 N LEU A 19 -1.409 22.814 0.601 1.00 0.00 N ATOM 297 CA LEU A 19 -0.737 24.088 0.805 1.00 0.00 C ATOM 298 C LEU A 19 0.404 24.293 -0.183 1.00 0.00 C ATOM 299 O LEU A 19 0.636 25.410 -0.650 1.00 0.00 O ATOM 300 CB LEU A 19 -0.241 24.188 2.240 1.00 0.00 C ATOM 301 CG LEU A 19 0.699 23.029 2.592 1.00 0.00 C ATOM 302 CD1 LEU A 19 2.157 23.299 2.131 1.00 0.00 C ATOM 303 CD2 LEU A 19 0.653 22.796 4.119 1.00 0.00 C ATOM 0 H LEU A 19 -1.275 22.141 1.356 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.459 24.884 0.623 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.279 25.135 2.381 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.092 24.187 2.921 1.00 0.00 H new ATOM 0 HG LEU A 19 0.360 22.138 2.064 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.787 22.452 2.401 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.177 23.436 1.050 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.532 24.199 2.618 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.318 21.973 4.382 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.974 23.701 4.635 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.365 22.549 4.419 1.00 0.00 H new ATOM 315 N PHE A 20 1.133 23.214 -0.477 1.00 0.00 N ATOM 316 CA PHE A 20 2.279 23.301 -1.387 1.00 0.00 C ATOM 317 C PHE A 20 1.785 23.595 -2.787 1.00 0.00 C ATOM 318 O PHE A 20 2.449 24.277 -3.557 1.00 0.00 O ATOM 319 CB PHE A 20 3.066 21.964 -1.386 1.00 0.00 C ATOM 320 CG PHE A 20 4.350 22.106 -0.605 1.00 0.00 C ATOM 321 CD1 PHE A 20 5.312 23.017 -1.033 1.00 0.00 C ATOM 322 CD2 PHE A 20 4.574 21.335 0.537 1.00 0.00 C ATOM 323 CE1 PHE A 20 6.503 23.159 -0.321 1.00 0.00 C ATOM 324 CE2 PHE A 20 5.763 21.474 1.253 1.00 0.00 C ATOM 325 CZ PHE A 20 6.731 22.388 0.824 1.00 0.00 C ATOM 0 H PHE A 20 0.954 22.281 -0.104 1.00 0.00 H new ATOM 0 HA PHE A 20 2.940 24.101 -1.053 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.453 21.175 -0.949 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.288 21.665 -2.410 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.136 23.613 -1.916 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.825 20.630 0.867 1.00 0.00 H new ATOM 0 HE1 PHE A 20 7.250 23.865 -0.654 1.00 0.00 H new ATOM 0 HE2 PHE A 20 5.936 20.877 2.136 1.00 0.00 H new ATOM 0 HZ PHE A 20 7.653 22.498 1.376 1.00 0.00 H new ATOM 335 N GLY A 21 0.609 23.098 -3.108 1.00 0.00 N ATOM 336 CA GLY A 21 0.037 23.357 -4.426 1.00 0.00 C ATOM 337 C GLY A 21 0.371 22.249 -5.387 1.00 0.00 C ATOM 338 O GLY A 21 0.052 22.319 -6.573 1.00 0.00 O ATOM 0 H GLY A 21 0.034 22.522 -2.493 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.045 23.457 -4.343 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.416 24.304 -4.811 1.00 0.00 H new ATOM 342 N THR A 22 0.993 21.219 -4.858 1.00 0.00 N ATOM 343 CA THR A 22 1.347 20.064 -5.670 1.00 0.00 C ATOM 344 C THR A 22 2.238 20.435 -6.833 1.00 0.00 C ATOM 345 O THR A 22 2.243 19.764 -7.864 1.00 0.00 O ATOM 346 CB THR A 22 0.081 19.403 -6.182 1.00 0.00 C ATOM 347 OG1 THR A 22 -0.471 20.169 -7.248 1.00 0.00 O ATOM 348 CG2 THR A 22 -0.921 19.300 -5.024 1.00 0.00 C ATOM 0 H THR A 22 1.265 21.152 -3.877 1.00 0.00 H new ATOM 0 HA THR A 22 1.907 19.372 -5.040 1.00 0.00 H new ATOM 0 HB THR A 22 0.308 18.406 -6.560 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.117 21.082 -7.212 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.837 18.826 -5.377 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.489 18.702 -4.221 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.149 20.298 -4.650 1.00 0.00 H new ATOM 356 N LYS A 23 2.993 21.511 -6.668 1.00 0.00 N ATOM 357 CA LYS A 23 3.889 21.967 -7.720 1.00 0.00 C ATOM 358 C LYS A 23 5.308 21.462 -7.482 1.00 0.00 C ATOM 359 O LYS A 23 6.045 21.190 -8.429 1.00 0.00 O ATOM 360 CB LYS A 23 3.879 23.502 -7.786 1.00 0.00 C ATOM 361 CG LYS A 23 4.085 24.079 -6.392 1.00 0.00 C ATOM 362 CD LYS A 23 4.224 25.601 -6.490 1.00 0.00 C ATOM 363 CE LYS A 23 4.513 26.177 -5.103 1.00 0.00 C ATOM 364 NZ LYS A 23 4.722 27.645 -5.206 1.00 0.00 N ATOM 0 H LYS A 23 3.004 22.081 -5.822 1.00 0.00 H new ATOM 0 HA LYS A 23 3.539 21.564 -8.670 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.666 23.852 -8.454 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.932 23.851 -8.198 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.243 23.820 -5.750 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.977 23.649 -5.936 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.029 25.860 -7.178 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.309 26.035 -6.892 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.683 25.964 -4.430 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.398 25.703 -4.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.918 28.035 -4.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.528 27.838 -5.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 3.866 28.091 -5.594 1.00 0.00 H new ATOM 378 N LYS A 24 5.689 21.340 -6.220 1.00 0.00 N ATOM 379 CA LYS A 24 7.026 20.868 -5.889 1.00 0.00 C ATOM 380 C LYS A 24 7.140 19.357 -6.048 1.00 0.00 C ATOM 381 O LYS A 24 8.022 18.864 -6.730 1.00 0.00 O ATOM 382 CB LYS A 24 7.354 21.263 -4.447 1.00 0.00 C ATOM 383 CG LYS A 24 7.628 22.777 -4.370 1.00 0.00 C ATOM 384 CD LYS A 24 9.109 23.083 -4.655 1.00 0.00 C ATOM 385 CE LYS A 24 9.906 22.999 -3.358 1.00 0.00 C ATOM 386 NZ LYS A 24 11.352 23.210 -3.644 1.00 0.00 N ATOM 0 H LYS A 24 5.100 21.558 -5.416 1.00 0.00 H new ATOM 0 HA LYS A 24 7.735 21.329 -6.577 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.524 21.000 -3.791 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.225 20.708 -4.097 1.00 0.00 H new ATOM 0 HG2 LYS A 24 6.999 23.301 -5.090 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.359 23.149 -3.381 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.504 22.374 -5.383 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.208 24.077 -5.091 1.00 0.00 H new ATOM 0 HE2 LYS A 24 9.551 23.750 -2.652 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.756 22.026 -2.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.893 23.152 -2.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.686 22.477 -4.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.488 24.148 -4.072 1.00 0.00 H new ATOM 400 N LEU A 25 6.233 18.643 -5.413 1.00 0.00 N ATOM 401 CA LEU A 25 6.217 17.188 -5.455 1.00 0.00 C ATOM 402 C LEU A 25 6.337 16.706 -6.859 1.00 0.00 C ATOM 403 O LEU A 25 6.977 15.708 -7.155 1.00 0.00 O ATOM 404 CB LEU A 25 4.915 16.643 -4.890 1.00 0.00 C ATOM 405 CG LEU A 25 4.619 17.348 -3.542 1.00 0.00 C ATOM 406 CD1 LEU A 25 3.964 18.732 -3.704 1.00 0.00 C ATOM 407 CD2 LEU A 25 3.729 16.488 -2.668 1.00 0.00 C ATOM 0 H LEU A 25 5.485 19.051 -4.852 1.00 0.00 H new ATOM 0 HA LEU A 25 7.059 16.838 -4.858 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.099 16.814 -5.592 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.989 15.565 -4.744 1.00 0.00 H new ATOM 0 HG LEU A 25 5.591 17.494 -3.071 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.785 19.167 -2.721 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.626 19.383 -4.274 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.016 18.626 -4.232 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.535 17.004 -1.727 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.785 16.302 -3.181 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.225 15.539 -2.466 1.00 0.00 H new ATOM 419 N GLY A 26 5.675 17.414 -7.720 1.00 0.00 N ATOM 420 CA GLY A 26 5.665 17.040 -9.096 1.00 0.00 C ATOM 421 C GLY A 26 6.999 17.358 -9.761 1.00 0.00 C ATOM 422 O GLY A 26 7.379 16.719 -10.744 1.00 0.00 O ATOM 0 H GLY A 26 5.137 18.251 -7.494 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.456 15.974 -9.185 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.863 17.566 -9.613 1.00 0.00 H new ATOM 426 N SER A 27 7.707 18.346 -9.207 1.00 0.00 N ATOM 427 CA SER A 27 9.001 18.764 -9.741 1.00 0.00 C ATOM 428 C SER A 27 10.154 18.065 -9.044 1.00 0.00 C ATOM 429 O SER A 27 11.141 17.690 -9.682 1.00 0.00 O ATOM 430 CB SER A 27 9.165 20.278 -9.581 1.00 0.00 C ATOM 431 OG SER A 27 10.216 20.736 -10.424 1.00 0.00 O ATOM 0 H SER A 27 7.403 18.871 -8.387 1.00 0.00 H new ATOM 0 HA SER A 27 9.023 18.489 -10.796 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.234 20.784 -9.836 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.386 20.522 -8.542 1.00 0.00 H new ATOM 0 HG SER A 27 10.319 21.705 -10.322 1.00 0.00 H new ATOM 437 N ILE A 28 10.039 17.901 -7.734 1.00 0.00 N ATOM 438 CA ILE A 28 11.090 17.263 -6.968 1.00 0.00 C ATOM 439 C ILE A 28 10.846 15.760 -6.915 1.00 0.00 C ATOM 440 O ILE A 28 11.775 14.960 -6.958 1.00 0.00 O ATOM 441 CB ILE A 28 11.123 17.857 -5.546 1.00 0.00 C ATOM 442 CG1 ILE A 28 9.965 17.305 -4.705 1.00 0.00 C ATOM 443 CG2 ILE A 28 11.001 19.386 -5.620 1.00 0.00 C ATOM 444 CD1 ILE A 28 9.940 17.985 -3.336 1.00 0.00 C ATOM 0 H ILE A 28 9.233 18.200 -7.186 1.00 0.00 H new ATOM 0 HA ILE A 28 12.053 17.442 -7.446 1.00 0.00 H new ATOM 0 HB ILE A 28 12.068 17.580 -5.079 1.00 0.00 H new ATOM 0 HG12 ILE A 28 9.019 17.472 -5.220 1.00 0.00 H new ATOM 0 HG13 ILE A 28 10.075 16.228 -4.583 1.00 0.00 H new ATOM 0 HG21 ILE A 28 11.025 19.802 -4.613 1.00 0.00 H new ATOM 0 HG22 ILE A 28 11.832 19.790 -6.199 1.00 0.00 H new ATOM 0 HG23 ILE A 28 10.060 19.653 -6.101 1.00 0.00 H new ATOM 0 HD11 ILE A 28 9.114 17.586 -2.747 1.00 0.00 H new ATOM 0 HD12 ILE A 28 10.880 17.795 -2.818 1.00 0.00 H new ATOM 0 HD13 ILE A 28 9.808 19.059 -3.466 1.00 0.00 H new ATOM 456 N GLY A 29 9.578 15.393 -6.809 1.00 0.00 N ATOM 457 CA GLY A 29 9.207 13.987 -6.729 1.00 0.00 C ATOM 458 C GLY A 29 9.614 13.253 -7.989 1.00 0.00 C ATOM 459 O GLY A 29 9.847 12.047 -7.972 1.00 0.00 O ATOM 0 H GLY A 29 8.793 16.043 -6.776 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.686 13.528 -5.864 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.131 13.898 -6.582 1.00 0.00 H new ATOM 463 N SER A 30 9.686 13.985 -9.088 1.00 0.00 N ATOM 464 CA SER A 30 10.055 13.380 -10.354 1.00 0.00 C ATOM 465 C SER A 30 11.485 12.860 -10.320 1.00 0.00 C ATOM 466 O SER A 30 11.771 11.768 -10.812 1.00 0.00 O ATOM 467 CB SER A 30 9.913 14.400 -11.485 1.00 0.00 C ATOM 468 OG SER A 30 10.751 15.519 -11.215 1.00 0.00 O ATOM 0 H SER A 30 9.496 14.986 -9.129 1.00 0.00 H new ATOM 0 HA SER A 30 9.384 12.539 -10.530 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.188 13.946 -12.437 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.875 14.721 -11.573 1.00 0.00 H new ATOM 0 HG SER A 30 10.315 16.104 -10.561 1.00 0.00 H new ATOM 474 N ASP A 31 12.378 13.638 -9.735 1.00 0.00 N ATOM 475 CA ASP A 31 13.767 13.239 -9.641 1.00 0.00 C ATOM 476 C ASP A 31 13.931 12.201 -8.551 1.00 0.00 C ATOM 477 O ASP A 31 14.669 11.228 -8.701 1.00 0.00 O ATOM 478 CB ASP A 31 14.631 14.462 -9.345 1.00 0.00 C ATOM 479 CG ASP A 31 16.102 14.067 -9.283 1.00 0.00 C ATOM 480 OD1 ASP A 31 16.380 12.882 -9.332 1.00 0.00 O ATOM 481 OD2 ASP A 31 16.931 14.959 -9.192 1.00 0.00 O ATOM 0 H ASP A 31 12.166 14.545 -9.320 1.00 0.00 H new ATOM 0 HA ASP A 31 14.085 12.803 -10.588 1.00 0.00 H new ATOM 0 HB2 ASP A 31 14.482 15.217 -10.117 1.00 0.00 H new ATOM 0 HB3 ASP A 31 14.327 14.910 -8.399 1.00 0.00 H new ATOM 486 N LEU A 32 13.237 12.424 -7.448 1.00 0.00 N ATOM 487 CA LEU A 32 13.303 11.507 -6.327 1.00 0.00 C ATOM 488 C LEU A 32 12.645 10.184 -6.667 1.00 0.00 C ATOM 489 O LEU A 32 13.181 9.115 -6.393 1.00 0.00 O ATOM 490 CB LEU A 32 12.620 12.138 -5.105 1.00 0.00 C ATOM 491 CG LEU A 32 13.623 12.980 -4.308 1.00 0.00 C ATOM 492 CD1 LEU A 32 14.396 13.937 -5.227 1.00 0.00 C ATOM 493 CD2 LEU A 32 12.890 13.776 -3.218 1.00 0.00 C ATOM 0 H LEU A 32 12.625 13.228 -7.306 1.00 0.00 H new ATOM 0 HA LEU A 32 14.351 11.313 -6.098 1.00 0.00 H new ATOM 0 HB2 LEU A 32 11.787 12.762 -5.428 1.00 0.00 H new ATOM 0 HB3 LEU A 32 12.205 11.357 -4.469 1.00 0.00 H new ATOM 0 HG LEU A 32 14.340 12.304 -3.842 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.100 14.521 -4.634 1.00 0.00 H new ATOM 0 HD12 LEU A 32 14.941 13.362 -5.975 1.00 0.00 H new ATOM 0 HD13 LEU A 32 13.696 14.608 -5.725 1.00 0.00 H new ATOM 0 HD21 LEU A 32 13.610 14.372 -2.656 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.156 14.435 -3.681 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.384 13.087 -2.542 1.00 0.00 H new ATOM 505 N GLY A 33 11.482 10.252 -7.261 1.00 0.00 N ATOM 506 CA GLY A 33 10.790 9.035 -7.607 1.00 0.00 C ATOM 507 C GLY A 33 11.608 8.238 -8.604 1.00 0.00 C ATOM 508 O GLY A 33 11.749 7.023 -8.479 1.00 0.00 O ATOM 0 H GLY A 33 11.001 11.116 -7.511 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.614 8.440 -6.711 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.814 9.270 -8.031 1.00 0.00 H new ATOM 512 N ALA A 34 12.150 8.936 -9.591 1.00 0.00 N ATOM 513 CA ALA A 34 12.962 8.292 -10.606 1.00 0.00 C ATOM 514 C ALA A 34 14.291 7.825 -10.031 1.00 0.00 C ATOM 515 O ALA A 34 14.786 6.755 -10.378 1.00 0.00 O ATOM 516 CB ALA A 34 13.205 9.250 -11.771 1.00 0.00 C ATOM 0 H ALA A 34 12.042 9.943 -9.708 1.00 0.00 H new ATOM 0 HA ALA A 34 12.421 7.417 -10.967 1.00 0.00 H new ATOM 0 HB1 ALA A 34 13.816 8.756 -12.527 1.00 0.00 H new ATOM 0 HB2 ALA A 34 12.250 9.540 -12.209 1.00 0.00 H new ATOM 0 HB3 ALA A 34 13.723 10.138 -11.410 1.00 0.00 H new ATOM 522 N SER A 35 14.881 8.644 -9.175 1.00 0.00 N ATOM 523 CA SER A 35 16.168 8.302 -8.590 1.00 0.00 C ATOM 524 C SER A 35 16.066 7.058 -7.724 1.00 0.00 C ATOM 525 O SER A 35 16.935 6.189 -7.755 1.00 0.00 O ATOM 526 CB SER A 35 16.699 9.485 -7.777 1.00 0.00 C ATOM 527 OG SER A 35 17.765 9.046 -6.946 1.00 0.00 O ATOM 0 H SER A 35 14.496 9.539 -8.873 1.00 0.00 H new ATOM 0 HA SER A 35 16.867 8.083 -9.397 1.00 0.00 H new ATOM 0 HB2 SER A 35 17.045 10.274 -8.445 1.00 0.00 H new ATOM 0 HB3 SER A 35 15.901 9.910 -7.169 1.00 0.00 H new ATOM 0 HG SER A 35 18.107 9.803 -6.426 1.00 0.00 H new ATOM 533 N ILE A 36 15.003 6.985 -6.954 1.00 0.00 N ATOM 534 CA ILE A 36 14.781 5.855 -6.071 1.00 0.00 C ATOM 535 C ILE A 36 14.468 4.614 -6.866 1.00 0.00 C ATOM 536 O ILE A 36 14.889 3.519 -6.507 1.00 0.00 O ATOM 537 CB ILE A 36 13.636 6.183 -5.103 1.00 0.00 C ATOM 538 CG1 ILE A 36 14.192 6.876 -3.853 1.00 0.00 C ATOM 539 CG2 ILE A 36 12.899 4.905 -4.653 1.00 0.00 C ATOM 540 CD1 ILE A 36 15.181 7.991 -4.200 1.00 0.00 C ATOM 0 H ILE A 36 14.274 7.697 -6.920 1.00 0.00 H new ATOM 0 HA ILE A 36 15.688 5.664 -5.498 1.00 0.00 H new ATOM 0 HB ILE A 36 12.939 6.835 -5.629 1.00 0.00 H new ATOM 0 HG12 ILE A 36 13.368 7.292 -3.273 1.00 0.00 H new ATOM 0 HG13 ILE A 36 14.686 6.138 -3.221 1.00 0.00 H new ATOM 0 HG21 ILE A 36 12.094 5.171 -3.968 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.482 4.400 -5.524 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.599 4.240 -4.148 1.00 0.00 H new ATOM 0 HD11 ILE A 36 15.547 8.451 -3.282 1.00 0.00 H new ATOM 0 HD12 ILE A 36 16.020 7.573 -4.756 1.00 0.00 H new ATOM 0 HD13 ILE A 36 14.681 8.744 -4.809 1.00 0.00 H new ATOM 552 N LYS A 37 13.701 4.763 -7.913 1.00 0.00 N ATOM 553 CA LYS A 37 13.341 3.602 -8.679 1.00 0.00 C ATOM 554 C LYS A 37 14.627 2.961 -9.183 1.00 0.00 C ATOM 555 O LYS A 37 14.773 1.741 -9.191 1.00 0.00 O ATOM 556 CB LYS A 37 12.402 4.014 -9.847 1.00 0.00 C ATOM 557 CG LYS A 37 13.155 4.019 -11.193 1.00 0.00 C ATOM 558 CD LYS A 37 12.246 4.466 -12.331 1.00 0.00 C ATOM 559 CE LYS A 37 13.060 4.432 -13.620 1.00 0.00 C ATOM 560 NZ LYS A 37 12.195 4.824 -14.756 1.00 0.00 N ATOM 0 H LYS A 37 13.323 5.649 -8.247 1.00 0.00 H new ATOM 0 HA LYS A 37 12.797 2.880 -8.070 1.00 0.00 H new ATOM 0 HB2 LYS A 37 11.560 3.324 -9.901 1.00 0.00 H new ATOM 0 HB3 LYS A 37 11.990 5.005 -9.654 1.00 0.00 H new ATOM 0 HG2 LYS A 37 14.016 4.685 -11.129 1.00 0.00 H new ATOM 0 HG3 LYS A 37 13.539 3.020 -11.402 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.380 3.808 -12.409 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.867 5.471 -12.145 1.00 0.00 H new ATOM 0 HE2 LYS A 37 13.910 5.110 -13.545 1.00 0.00 H new ATOM 0 HE3 LYS A 37 13.463 3.432 -13.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.747 4.802 -15.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.398 4.160 -14.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.831 5.786 -14.600 1.00 0.00 H new ATOM 574 N GLY A 38 15.553 3.809 -9.596 1.00 0.00 N ATOM 575 CA GLY A 38 16.823 3.336 -10.090 1.00 0.00 C ATOM 576 C GLY A 38 17.646 2.755 -8.959 1.00 0.00 C ATOM 577 O GLY A 38 18.358 1.767 -9.139 1.00 0.00 O ATOM 0 H GLY A 38 15.445 4.823 -9.597 1.00 0.00 H new ATOM 0 HA2 GLY A 38 16.663 2.579 -10.858 1.00 0.00 H new ATOM 0 HA3 GLY A 38 17.366 4.156 -10.559 1.00 0.00 H new ATOM 581 N PHE A 39 17.544 3.382 -7.793 1.00 0.00 N ATOM 582 CA PHE A 39 18.289 2.928 -6.634 1.00 0.00 C ATOM 583 C PHE A 39 17.702 1.627 -6.125 1.00 0.00 C ATOM 584 O PHE A 39 18.416 0.648 -5.911 1.00 0.00 O ATOM 585 CB PHE A 39 18.267 3.999 -5.534 1.00 0.00 C ATOM 586 CG PHE A 39 19.431 3.789 -4.586 1.00 0.00 C ATOM 587 CD1 PHE A 39 20.745 3.931 -5.056 1.00 0.00 C ATOM 588 CD2 PHE A 39 19.204 3.452 -3.244 1.00 0.00 C ATOM 589 CE1 PHE A 39 21.828 3.739 -4.188 1.00 0.00 C ATOM 590 CE2 PHE A 39 20.289 3.258 -2.377 1.00 0.00 C ATOM 591 CZ PHE A 39 21.600 3.402 -2.848 1.00 0.00 C ATOM 0 H PHE A 39 16.956 4.200 -7.629 1.00 0.00 H new ATOM 0 HA PHE A 39 19.326 2.756 -6.921 1.00 0.00 H new ATOM 0 HB2 PHE A 39 18.324 4.992 -5.980 1.00 0.00 H new ATOM 0 HB3 PHE A 39 17.326 3.950 -4.985 1.00 0.00 H new ATOM 0 HD1 PHE A 39 20.922 4.189 -6.090 1.00 0.00 H new ATOM 0 HD2 PHE A 39 18.194 3.342 -2.878 1.00 0.00 H new ATOM 0 HE1 PHE A 39 22.839 3.851 -4.552 1.00 0.00 H new ATOM 0 HE2 PHE A 39 20.113 2.997 -1.344 1.00 0.00 H new ATOM 0 HZ PHE A 39 22.434 3.253 -2.179 1.00 0.00 H new ATOM 601 N LYS A 40 16.393 1.619 -5.963 1.00 0.00 N ATOM 602 CA LYS A 40 15.705 0.429 -5.512 1.00 0.00 C ATOM 603 C LYS A 40 15.867 -0.691 -6.516 1.00 0.00 C ATOM 604 O LYS A 40 16.013 -1.854 -6.145 1.00 0.00 O ATOM 605 CB LYS A 40 14.218 0.724 -5.289 1.00 0.00 C ATOM 606 CG LYS A 40 14.018 1.332 -3.902 1.00 0.00 C ATOM 607 CD LYS A 40 12.565 1.795 -3.739 1.00 0.00 C ATOM 608 CE LYS A 40 11.649 0.589 -3.495 1.00 0.00 C ATOM 609 NZ LYS A 40 10.293 1.068 -3.110 1.00 0.00 N ATOM 0 H LYS A 40 15.788 2.421 -6.137 1.00 0.00 H new ATOM 0 HA LYS A 40 16.147 0.116 -4.566 1.00 0.00 H new ATOM 0 HB2 LYS A 40 13.855 1.410 -6.054 1.00 0.00 H new ATOM 0 HB3 LYS A 40 13.637 -0.194 -5.382 1.00 0.00 H new ATOM 0 HG2 LYS A 40 14.263 0.598 -3.135 1.00 0.00 H new ATOM 0 HG3 LYS A 40 14.695 2.175 -3.764 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.489 2.493 -2.905 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.244 2.330 -4.633 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.589 -0.024 -4.395 1.00 0.00 H new ATOM 0 HE3 LYS A 40 12.061 -0.041 -2.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.671 0.252 -2.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.359 1.635 -2.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.901 1.652 -3.876 1.00 0.00 H new ATOM 623 N LYS A 41 15.824 -0.345 -7.786 1.00 0.00 N ATOM 624 CA LYS A 41 15.948 -1.358 -8.811 1.00 0.00 C ATOM 625 C LYS A 41 17.299 -2.041 -8.700 1.00 0.00 C ATOM 626 O LYS A 41 17.414 -3.250 -8.910 1.00 0.00 O ATOM 627 CB LYS A 41 15.784 -0.741 -10.206 1.00 0.00 C ATOM 628 CG LYS A 41 16.003 -1.811 -11.309 1.00 0.00 C ATOM 629 CD LYS A 41 17.414 -1.689 -11.907 1.00 0.00 C ATOM 630 CE LYS A 41 17.621 -2.778 -12.960 1.00 0.00 C ATOM 631 NZ LYS A 41 18.995 -2.659 -13.517 1.00 0.00 N ATOM 0 H LYS A 41 15.707 0.609 -8.128 1.00 0.00 H new ATOM 0 HA LYS A 41 15.159 -2.096 -8.667 1.00 0.00 H new ATOM 0 HB2 LYS A 41 14.788 -0.310 -10.303 1.00 0.00 H new ATOM 0 HB3 LYS A 41 16.497 0.073 -10.335 1.00 0.00 H new ATOM 0 HG2 LYS A 41 15.865 -2.807 -10.889 1.00 0.00 H new ATOM 0 HG3 LYS A 41 15.257 -1.690 -12.095 1.00 0.00 H new ATOM 0 HD2 LYS A 41 17.545 -0.705 -12.357 1.00 0.00 H new ATOM 0 HD3 LYS A 41 18.163 -1.783 -11.120 1.00 0.00 H new ATOM 0 HE2 LYS A 41 17.479 -3.763 -12.516 1.00 0.00 H new ATOM 0 HE3 LYS A 41 16.882 -2.678 -13.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 19.144 -3.397 -14.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 19.113 -1.723 -13.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 19.691 -2.774 -12.753 1.00 0.00 H new ATOM 645 N ALA A 42 18.315 -1.264 -8.355 1.00 0.00 N ATOM 646 CA ALA A 42 19.656 -1.802 -8.210 1.00 0.00 C ATOM 647 C ALA A 42 19.710 -2.759 -7.024 1.00 0.00 C ATOM 648 O ALA A 42 20.406 -3.775 -7.063 1.00 0.00 O ATOM 649 CB ALA A 42 20.658 -0.660 -8.006 1.00 0.00 C ATOM 0 H ALA A 42 18.236 -0.264 -8.171 1.00 0.00 H new ATOM 0 HA ALA A 42 19.918 -2.347 -9.117 1.00 0.00 H new ATOM 0 HB1 ALA A 42 21.662 -1.071 -7.898 1.00 0.00 H new ATOM 0 HB2 ALA A 42 20.630 0.007 -8.868 1.00 0.00 H new ATOM 0 HB3 ALA A 42 20.396 -0.102 -7.107 1.00 0.00 H new ATOM 655 N MET A 43 18.968 -2.426 -5.971 1.00 0.00 N ATOM 656 CA MET A 43 18.926 -3.253 -4.768 1.00 0.00 C ATOM 657 C MET A 43 17.774 -4.249 -4.845 1.00 0.00 C ATOM 658 O MET A 43 17.674 -5.161 -4.026 1.00 0.00 O ATOM 659 CB MET A 43 18.751 -2.369 -3.536 1.00 0.00 C ATOM 660 CG MET A 43 20.002 -1.511 -3.346 1.00 0.00 C ATOM 661 SD MET A 43 19.877 -0.608 -1.781 1.00 0.00 S ATOM 662 CE MET A 43 18.446 0.412 -2.210 1.00 0.00 C ATOM 0 H MET A 43 18.387 -1.589 -5.926 1.00 0.00 H new ATOM 0 HA MET A 43 19.865 -3.802 -4.693 1.00 0.00 H new ATOM 0 HB2 MET A 43 17.874 -1.732 -3.653 1.00 0.00 H new ATOM 0 HB3 MET A 43 18.582 -2.986 -2.653 1.00 0.00 H new ATOM 0 HG2 MET A 43 20.892 -2.140 -3.346 1.00 0.00 H new ATOM 0 HG3 MET A 43 20.107 -0.811 -4.175 1.00 0.00 H new ATOM 0 HE1 MET A 43 18.416 1.288 -1.562 1.00 0.00 H new ATOM 0 HE2 MET A 43 18.525 0.731 -3.249 1.00 0.00 H new ATOM 0 HE3 MET A 43 17.533 -0.168 -2.077 1.00 0.00 H new ATOM 672 N SER A 44 16.900 -4.060 -5.827 1.00 0.00 N ATOM 673 CA SER A 44 15.755 -4.946 -5.993 1.00 0.00 C ATOM 674 C SER A 44 16.224 -6.368 -6.271 1.00 0.00 C ATOM 675 O SER A 44 17.279 -6.574 -6.872 1.00 0.00 O ATOM 676 CB SER A 44 14.879 -4.468 -7.150 1.00 0.00 C ATOM 677 OG SER A 44 13.804 -5.380 -7.331 1.00 0.00 O ATOM 0 H SER A 44 16.961 -3.309 -6.514 1.00 0.00 H new ATOM 0 HA SER A 44 15.174 -4.932 -5.071 1.00 0.00 H new ATOM 0 HB2 SER A 44 14.494 -3.470 -6.942 1.00 0.00 H new ATOM 0 HB3 SER A 44 15.469 -4.397 -8.064 1.00 0.00 H new ATOM 0 HG SER A 44 13.238 -5.076 -8.071 1.00 0.00 H new ATOM 683 N ASP A 45 15.439 -7.346 -5.830 1.00 0.00 N ATOM 684 CA ASP A 45 15.787 -8.747 -6.040 1.00 0.00 C ATOM 685 C ASP A 45 17.166 -9.048 -5.463 1.00 0.00 C ATOM 686 O ASP A 45 17.987 -9.706 -6.101 1.00 0.00 O ATOM 687 CB ASP A 45 15.771 -9.075 -7.537 1.00 0.00 C ATOM 688 CG ASP A 45 14.339 -9.045 -8.058 1.00 0.00 C ATOM 689 OD1 ASP A 45 13.430 -9.055 -7.243 1.00 0.00 O ATOM 690 OD2 ASP A 45 14.169 -9.010 -9.267 1.00 0.00 O ATOM 0 H ASP A 45 14.564 -7.196 -5.328 1.00 0.00 H new ATOM 0 HA ASP A 45 15.049 -9.365 -5.528 1.00 0.00 H new ATOM 0 HB2 ASP A 45 16.381 -8.355 -8.083 1.00 0.00 H new ATOM 0 HB3 ASP A 45 16.209 -10.058 -7.708 1.00 0.00 H new ATOM 695 N ASP A 46 17.416 -8.558 -4.252 1.00 0.00 N ATOM 696 CA ASP A 46 18.701 -8.778 -3.597 1.00 0.00 C ATOM 697 C ASP A 46 18.810 -10.213 -3.092 1.00 0.00 C ATOM 698 O ASP A 46 19.224 -10.453 -1.959 1.00 0.00 O ATOM 699 CB ASP A 46 18.861 -7.812 -2.422 1.00 0.00 C ATOM 700 CG ASP A 46 17.740 -8.031 -1.409 1.00 0.00 C ATOM 701 OD1 ASP A 46 17.026 -9.011 -1.548 1.00 0.00 O ATOM 702 OD2 ASP A 46 17.610 -7.214 -0.513 1.00 0.00 O ATOM 0 H ASP A 46 16.750 -8.009 -3.708 1.00 0.00 H new ATOM 0 HA ASP A 46 19.491 -8.600 -4.326 1.00 0.00 H new ATOM 0 HB2 ASP A 46 19.829 -7.965 -1.944 1.00 0.00 H new ATOM 0 HB3 ASP A 46 18.842 -6.783 -2.781 1.00 0.00 H new ATOM 707 N GLU A 47 18.440 -11.163 -3.943 1.00 0.00 N ATOM 708 CA GLU A 47 18.503 -12.572 -3.573 1.00 0.00 C ATOM 709 C GLU A 47 17.782 -12.813 -2.249 1.00 0.00 C ATOM 710 O GLU A 47 18.417 -13.070 -1.224 1.00 0.00 O ATOM 711 CB GLU A 47 19.961 -13.019 -3.456 1.00 0.00 C ATOM 712 CG GLU A 47 20.555 -13.162 -4.856 1.00 0.00 C ATOM 713 CD GLU A 47 21.992 -13.664 -4.762 1.00 0.00 C ATOM 714 OE1 GLU A 47 22.700 -13.207 -3.880 1.00 0.00 O ATOM 715 OE2 GLU A 47 22.362 -14.498 -5.571 1.00 0.00 O ATOM 0 H GLU A 47 18.096 -10.986 -4.887 1.00 0.00 H new ATOM 0 HA GLU A 47 18.009 -13.154 -4.351 1.00 0.00 H new ATOM 0 HB2 GLU A 47 20.532 -12.292 -2.878 1.00 0.00 H new ATOM 0 HB3 GLU A 47 20.022 -13.968 -2.923 1.00 0.00 H new ATOM 0 HG2 GLU A 47 19.956 -13.856 -5.445 1.00 0.00 H new ATOM 0 HG3 GLU A 47 20.529 -12.202 -5.371 1.00 0.00 H new ATOM 722 N PRO A 48 16.478 -12.733 -2.256 1.00 0.00 N ATOM 723 CA PRO A 48 15.652 -12.945 -1.037 1.00 0.00 C ATOM 724 C PRO A 48 15.465 -14.430 -0.721 1.00 0.00 C ATOM 725 O PRO A 48 15.632 -14.796 0.430 1.00 0.00 O ATOM 726 CB PRO A 48 14.320 -12.267 -1.390 1.00 0.00 C ATOM 727 CG PRO A 48 14.213 -12.363 -2.887 1.00 0.00 C ATOM 728 CD PRO A 48 15.649 -12.430 -3.437 1.00 0.00 C ATOM 0 HA PRO A 48 16.114 -12.533 -0.140 1.00 0.00 H new ATOM 0 HB2 PRO A 48 13.483 -12.766 -0.903 1.00 0.00 H new ATOM 0 HB3 PRO A 48 14.307 -11.228 -1.060 1.00 0.00 H new ATOM 0 HG2 PRO A 48 13.647 -13.248 -3.177 1.00 0.00 H new ATOM 0 HG3 PRO A 48 13.685 -11.500 -3.292 1.00 0.00 H new ATOM 0 HD2 PRO A 48 15.747 -13.202 -4.200 1.00 0.00 H new ATOM 0 HD3 PRO A 48 15.943 -11.487 -3.898 1.00 0.00 H new TER 736 PRO A 48